REM -------------------------------------------------------------------- 4R5F REM 4R5F REM STRIDE: Knowledge-based secondary structure assignment 4R5F REM Please cite: D.Frishman & P.Argos, Proteins 23, 566-579, 1995 4R5F REM 4R5F REM Residue accessible surface area calculation 4R5F REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 4R5F REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 4R5F REM 4R5F REM ------------------------ General information ----------------------- 4R5F REM 4R5F HDR METAL BINDING PROTEIN 21-AUG-14 4R5F 4R5F CMP MOL_ID: 1; 4R5F CMP MOLECULE: CYSTEINE DESULFURASE ISCS 2; 4R5F CMP CHAIN: A; 4R5F CMP EC: 2.8.1.7; 4R5F CMP ENGINEERED: YES; 4R5F CMP MUTATION: YES 4R5F SRC MOL_ID: 1; 4R5F SRC ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; 4R5F SRC ORGANISM_TAXID: 224325; 4R5F SRC STRAIN: ATCC 49558 / VC-16 / DSM 4304 / JCM 9628 / NBRC 1001 4R5F SRC GENE: ISCS2, AF_0564; 4R5F SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI; 4R5F SRC EXPRESSION_SYSTEM_TAXID: 562; 4R5F SRC EXPRESSION_SYSTEM_STRAIN: C41; 4R5F SRC EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; 4R5F SRC EXPRESSION_SYSTEM_PLASMID: PARA-13 4R5F AUT A.PAGNIER,Y.NICOLET,J.C.FONTECILLA-CAMPS 4R5F REM 4R5F REM -------------------- Secondary structure summary ------------------- 4R5F REM 4R5F CHN 4r5f.pdb A 4R5F REM 4R5F REM . . . . . 4R5F SEQ 1 AYFDYTSAKPVDERILEAMLPYMTESFGNPSSVHSYGFKAREAVQEAREK 50 4R5F STR B BGGG HHHHHHHHHHHHH TTTT HHHHHHHHHHHHHHHH 4R5F REM 4R5F REM . . . . . 4R5F SEQ 51 VAKLVNGGGGTVVFTSGATEANNLAIIGYAMRNARKGKHILVSAVEHMSV 100 4R5F STR HHHHH TTTEEEEEE HHHHHHHHHHHHHHHHGGG EEEEETTT HHH 4R5F REM 4R5F REM . . . . . 4R5F SEQ 101 INPAKFLQKQGFEVEYIPVGKYGEVDVSFIDQKLRDDTILVSVQHANNEI 150 4R5F STR HHHHHHHHHH EEEEE BTTTT B HHHHHHH TTTEEEEEEETBTTTT 4R5F REM 4R5F REM . . . . . 4R5F SEQ 151 GTIQPVEEISEVLAGKAALHIDATASVGQIEVDVEKIGADMLTISSNKIY 200 4R5F STR TBBTTHHHHHHHHTTT EEEEETTTTTTTT TTTTTTTTEEEEE GGG 4R5F REM 4R5F REM . . . . . 4R5F SEQ 201 GPKGVGALWIRKEAKLQPVILGGGQENGLRSGSENVPSIVGFGKAAEITA 250 4R5F STR TTTTEEEEEETTT TTTT GGGTTT HHHHHHHHHHHHHHH 4R5F REM 4R5F REM . . . . . 4R5F SEQ 251 MEWREEAERLRRLRDRIIDNVLKIEESYLNGHPEKRLPNNVNVRFSYIEG 300 4R5F STR HHHHHHHHHHHHHHHHHHHHHH TTTEEE TTTTBTTTEEEEEETTT H 4R5F REM 4R5F REM . . . . . 4R5F SEQ 301 ESIVLSLDMAGIQASTGQPSHVLMACGLKHEEAHGTLLLTLGRYNTDEDV 350 4R5F STR HHHHHHHHHH B B TTTTHHHHHH HHHHH EEEEE TTTT HHHH 4R5F REM 4R5F REM . 4R5F SEQ 351 DRLLEVLPGVIERLRSMSP 369 4R5F STR HHHHHHHHHHHHHHHHH 4R5F REM 4R5F REM 4R5F REM 4R5F LOC AlphaHelix GLU 14 A GLU 26 A 4R5F LOC AlphaHelix SER 36 A VAL 56 A 4R5F LOC AlphaHelix ALA 69 A ASN 84 A 4R5F LOC AlphaHelix MET 99 A GLN 111 A 4R5F LOC AlphaHelix VAL 128 A LYS 134 A 4R5F LOC AlphaHelix VAL 157 A LEU 164 A 4R5F LOC AlphaHelix VAL 237 A LEU 273 A 4R5F LOC AlphaHelix GLY 301 A ALA 311 A 4R5F LOC AlphaHelix HIS 330 A CYS 335 A 4R5F LOC AlphaHelix HIS 339 A HIS 343 A 4R5F LOC AlphaHelix ASP 356 A MET 376 A 4R5F LOC 310Helix TYR 6 A SER 8 A 4R5F LOC 310Helix ALA 85 A LYS 87 A 4R5F LOC 310Helix ASN 198 A ILE 200 A 4R5F LOC 310Helix GLU 227 A GLY 229 A 4R5F LOC Strand GLY 61 A THR 66 A 4R5F LOC Strand HIS 90 A SER 94 A 4R5F LOC Strand GLU 114 A ILE 118 A 4R5F LOC Strand THR 139 A GLN 145 A 4R5F LOC Strand ALA 169 A ASP 173 A 4R5F LOC Strand MET 192 A SER 196 A 4R5F LOC Strand GLY 207 A ARG 212 A 4R5F LOC Strand SER 278 A LEU 280 A 4R5F LOC Strand ASN 291 A PHE 296 A 4R5F LOC Strand THR 345 A THR 349 A 4R5F LOC TurnI ASN 30 A SER 33 A 4R5F LOC TurnI GLY 58 A GLY 61 A 4R5F LOC TurnI SER 94 A GLU 97 A 4R5F LOC TurnI GLY 121 A GLY 124 A 4R5F LOC TurnI ARG 136 A THR 139 A 4R5F LOC TurnIV GLN 145 A ASN 148 A 4R5F LOC TurnIV ASN 148 A ILE 151 A 4R5F LOC TurnI ASN 149 A GLY 152 A 4R5F LOC TurnII LEU 164 A LYS 167 A 4R5F LOC TurnI ALA 174 A SER 177 A 4R5F LOC TurnI THR 175 A VAL 178 A 4R5F LOC TurnII SER 177 A GLN 180 A 4R5F LOC TurnIV VAL 178 A ILE 181 A 4R5F LOC TurnI ASP 184 A LYS 187 A 4R5F LOC TurnI VAL 185 A ILE 188 A 4R5F LOC TurnI GLU 186 A GLY 189 A 4R5F LOC TurnVIII ALA 190 A LEU 193 A 4R5F LOC TurnII PRO 203 A VAL 206 A 4R5F LOC TurnII ARG 212 A ALA 215 A 4R5F LOC TurnVIII PRO 219 A LEU 222 A 4R5F LOC TurnVIII GLY 229 A SER 232 A 4R5F LOC TurnIV ILE 275 A SER 278 A 4R5F LOC TurnIV HIS 283 A LYS 286 A 4R5F LOC TurnIV PRO 284 A ARG 287 A 4R5F LOC TurnI LEU 288 A ASN 291 A 4R5F LOC TurnII PHE 296 A ILE 299 A 4R5F LOC TurnIV GLY 318 A SER 329 A 4R5F LOC TurnI GLY 351 A ASN 354 A 4R5F LOC GammaInv GLN 155 A VAL 157 A 4R5F REM 4R5F REM --------------- Detailed secondary structure assignment------------- 4R5F REM 4R5F REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 4R5F ASG ALA A 2 1 C Coil 360.00 117.48 32.4 4R5F ASG TYR A 3 2 B Bridge -103.55 113.88 73.4 4R5F ASG PHE A 4 3 C Coil -121.58 44.09 0.0 4R5F ASG ASP A 5 4 B Bridge -133.34 41.88 26.9 4R5F ASG TYR A 6 5 G 310Helix -62.69 -26.59 8.4 4R5F ASG THR A 7 6 G 310Helix -81.35 -0.94 19.1 4R5F ASG SER A 8 7 G 310Helix -96.52 -26.79 72.8 4R5F ASG ALA A 9 8 C Coil -179.91 140.39 20.0 4R5F ASG LYS A 10 9 C Coil -124.04 156.86 13.6 4R5F ASG PRO A 11 10 C Coil -75.07 151.36 57.7 4R5F ASG VAL A 12 11 C Coil -80.37 126.00 51.9 4R5F ASG ASP A 13 12 C Coil -57.20 135.54 7.0 4R5F ASG GLU A 14 13 H AlphaHelix -57.15 -31.24 71.9 4R5F ASG ARG A 15 14 H AlphaHelix -67.37 -31.35 88.0 4R5F ASG ILE A 16 15 H AlphaHelix -76.14 -44.48 0.0 4R5F ASG LEU A 17 16 H AlphaHelix -55.28 -46.54 79.6 4R5F ASG GLU A 18 17 H AlphaHelix -55.04 -40.98 141.8 4R5F ASG ALA A 19 18 H AlphaHelix -70.29 -28.93 28.9 4R5F ASG MET A 20 19 H AlphaHelix -76.33 -38.32 9.6 4R5F ASG LEU A 21 20 H AlphaHelix -60.73 -40.70 89.9 4R5F ASG PRO A 22 21 H AlphaHelix -58.30 -23.83 45.9 4R5F ASG TYR A 23 22 H AlphaHelix -86.82 -13.20 51.0 4R5F ASG MET A 24 23 H AlphaHelix -69.05 -56.10 92.9 4R5F ASG THR A 25 24 H AlphaHelix -110.26 -48.41 106.4 4R5F ASG GLU A 26 25 H AlphaHelix -77.16 -60.17 138.4 4R5F ASG SER A 27 26 C Coil -108.40 76.20 29.5 4R5F ASG PHE A 28 27 C Coil -105.26 15.02 129.2 4R5F ASG GLY A 29 28 C Coil -62.09 156.36 8.4 4R5F ASG ASN A 30 29 T Turn -85.63 123.94 54.6 4R5F ASG PRO A 31 30 T Turn -59.09 -16.73 12.6 4R5F ASG SER A 32 31 T Turn -84.61 -12.51 75.8 4R5F ASG SER A 33 32 T Turn -75.56 145.59 41.0 4R5F ASG VAL A 34 33 C Coil -108.03 61.70 125.9 4R5F ASG HIS A 35 34 C Coil -151.91 176.07 93.2 4R5F ASG SER A 36 35 H AlphaHelix -57.34 -34.88 75.5 4R5F ASG TYR A 37 36 H AlphaHelix -68.28 -41.46 109.9 4R5F ASG GLY A 38 37 H AlphaHelix -58.16 -45.48 0.2 4R5F ASG PHE A 39 38 H AlphaHelix -63.13 -46.32 122.7 4R5F ASG LYS A 40 39 H AlphaHelix -59.93 -39.64 69.8 4R5F ASG ALA A 41 40 H AlphaHelix -64.29 -42.20 0.0 4R5F ASG ARG A 42 41 H AlphaHelix -64.04 -39.25 61.1 4R5F ASG GLU A 43 42 H AlphaHelix -67.61 -38.84 124.0 4R5F ASG ALA A 44 43 H AlphaHelix -63.57 -45.34 1.3 4R5F ASG VAL A 45 44 H AlphaHelix -63.39 -43.44 5.4 4R5F ASG GLN A 46 45 H AlphaHelix -61.80 -44.25 103.5 4R5F ASG GLU A 47 46 H AlphaHelix -57.16 -57.94 87.6 4R5F ASG ALA A 48 47 H AlphaHelix -50.93 -42.73 2.5 4R5F ASG ARG A 49 48 H AlphaHelix -59.26 -44.81 59.5 4R5F ASG GLU A 50 49 H AlphaHelix -59.82 -44.20 134.7 4R5F ASG LYS A 51 50 H AlphaHelix -64.64 -33.00 41.2 4R5F ASG VAL A 52 51 H AlphaHelix -72.92 -43.89 0.4 4R5F ASG ALA A 53 52 H AlphaHelix -59.94 -45.87 19.0 4R5F ASG LYS A 54 53 H AlphaHelix -60.48 -40.17 173.2 4R5F ASG LEU A 55 54 H AlphaHelix -53.71 -39.72 26.6 4R5F ASG VAL A 56 55 H AlphaHelix -106.75 17.53 0.6 4R5F ASG ASN A 57 56 C Coil 57.15 47.19 79.7 4R5F ASG GLY A 58 57 T Turn -102.48 28.14 0.6 4R5F ASG GLY A 59 58 T Turn -55.98 -24.96 77.6 4R5F ASG GLY A 60 59 T Turn -83.67 18.11 32.4 4R5F ASG GLY A 61 60 E Strand -164.25 -163.99 17.8 4R5F ASG THR A 62 61 E Strand -127.26 136.02 84.1 4R5F ASG VAL A 63 62 E Strand -83.32 127.35 3.8 4R5F ASG VAL A 64 63 E Strand -109.18 117.40 4.0 4R5F ASG PHE A 65 64 E Strand -73.93 139.56 4.0 4R5F ASG THR A 66 65 E Strand -133.20 -179.52 3.6 4R5F ASG SER A 67 66 C Coil -80.51 3.63 58.1 4R5F ASG GLY A 68 67 C Coil 146.36 -177.39 11.3 4R5F ASG ALA A 69 68 H AlphaHelix -62.12 -35.61 17.2 4R5F ASG THR A 70 69 H AlphaHelix -63.79 -51.12 79.7 4R5F ASG GLU A 71 70 H AlphaHelix -58.69 -43.56 28.2 4R5F ASG ALA A 72 71 H AlphaHelix -61.98 -44.66 0.0 4R5F ASG ASN A 73 72 H AlphaHelix -58.42 -41.32 0.6 4R5F ASG ASN A 74 73 H AlphaHelix -59.92 -45.16 47.5 4R5F ASG LEU A 75 74 H AlphaHelix -61.55 -47.41 3.8 4R5F ASG ALA A 76 75 H AlphaHelix -58.93 -49.35 0.0 4R5F ASG ILE A 77 76 H AlphaHelix -75.16 -55.37 0.0 4R5F ASG ILE A 78 77 H AlphaHelix -77.88 -41.86 23.3 4R5F ASG GLY A 79 78 H AlphaHelix -59.85 -46.96 0.8 4R5F ASG TYR A 80 79 H AlphaHelix -71.23 -41.96 16.8 4R5F ASG ALA A 81 80 H AlphaHelix -66.72 -41.90 0.0 4R5F ASG MET A 82 81 H AlphaHelix -70.39 -36.00 48.5 4R5F ASG ARG A 83 82 H AlphaHelix -70.71 -29.75 127.0 4R5F ASG ASN A 84 83 H AlphaHelix -114.54 16.31 12.5 4R5F ASG ALA A 85 84 G 310Helix -66.36 -23.09 7.8 4R5F ASG ARG A 86 85 G 310Helix -64.86 -19.19 209.5 4R5F ASG LYS A 87 86 G 310Helix -89.43 -8.91 129.1 4R5F ASG GLY A 88 87 C Coil 147.17 168.73 12.1 4R5F ASG LYS A 89 88 C Coil -136.96 17.72 65.9 4R5F ASG HIS A 90 89 E Strand -88.66 131.77 0.0 4R5F ASG ILE A 91 90 E Strand -134.05 138.51 0.2 4R5F ASG LEU A 92 91 E Strand -115.46 126.66 0.0 4R5F ASG VAL A 93 92 E Strand -130.82 134.45 0.0 4R5F ASG SER A 94 93 E Strand -70.51 151.83 0.0 4R5F ASG ALA A 95 94 T Turn -70.74 -13.79 25.9 4R5F ASG VAL A 96 95 T Turn -112.58 10.91 1.1 4R5F ASG GLU A 97 96 T Turn -55.64 153.47 0.0 4R5F ASG HIS A 98 97 C Coil -61.14 152.06 105.2 4R5F ASG MET A 99 98 H AlphaHelix -62.47 -21.71 69.9 4R5F ASG SER A 100 99 H AlphaHelix -76.05 -4.75 9.4 4R5F ASG VAL A 101 100 H AlphaHelix -102.07 -45.26 0.0 4R5F ASG ILE A 102 101 H AlphaHelix -59.46 -48.12 10.6 4R5F ASG ASN A 103 102 H AlphaHelix -69.65 -37.44 84.6 4R5F ASG PRO A 104 103 H AlphaHelix -59.79 -38.03 5.9 4R5F ASG ALA A 105 104 H AlphaHelix -60.29 -42.92 0.4 4R5F ASG LYS A 106 105 H AlphaHelix -66.00 -36.95 96.2 4R5F ASG PHE A 107 106 H AlphaHelix -58.69 -45.82 83.2 4R5F ASG LEU A 108 107 H AlphaHelix -63.40 -36.15 0.2 4R5F ASG GLN A 109 108 H AlphaHelix -55.66 -36.19 81.2 4R5F ASG LYS A 110 109 H AlphaHelix -74.41 -20.05 173.2 4R5F ASG GLN A 111 110 H AlphaHelix -92.87 6.13 90.3 4R5F ASG GLY A 112 111 C Coil 97.73 7.32 50.9 4R5F ASG PHE A 113 112 C Coil -81.32 145.44 9.0 4R5F ASG GLU A 114 113 E Strand -91.48 104.90 87.1 4R5F ASG VAL A 115 114 E Strand -104.37 123.37 13.6 4R5F ASG GLU A 116 115 E Strand -120.18 127.68 50.0 4R5F ASG TYR A 117 116 E Strand -91.92 133.75 69.6 4R5F ASG ILE A 118 117 E Strand -81.34 121.03 0.0 4R5F ASG PRO A 119 118 C Coil -70.82 159.99 50.9 4R5F ASG VAL A 120 119 B Bridge -119.58 156.59 18.9 4R5F ASG GLY A 121 120 T Turn -81.02 -169.92 38.8 4R5F ASG LYS A 122 121 T Turn -67.71 -19.85 109.5 4R5F ASG TYR A 123 122 T Turn -101.17 6.37 91.4 4R5F ASG GLY A 124 123 T Turn 88.97 11.20 0.3 4R5F ASG GLU A 125 124 C Coil -79.51 132.22 47.8 4R5F ASG VAL A 126 125 B Bridge -68.35 150.84 8.4 4R5F ASG ASP A 127 126 C Coil -85.90 102.21 61.8 4R5F ASG VAL A 128 127 H AlphaHelix -71.22 -31.16 15.0 4R5F ASG SER A 129 128 H AlphaHelix -65.52 -31.43 82.4 4R5F ASG PHE A 130 129 H AlphaHelix -60.73 -44.64 29.9 4R5F ASG ILE A 131 130 H AlphaHelix -64.93 -44.58 0.0 4R5F ASG ASP A 132 131 H AlphaHelix -60.20 -41.57 104.1 4R5F ASG GLN A 133 132 H AlphaHelix -69.02 -40.78 138.2 4R5F ASG LYS A 134 133 H AlphaHelix -91.96 -6.39 58.8 4R5F ASG LEU A 135 134 C Coil -68.01 133.58 30.3 4R5F ASG ARG A 136 135 T Turn -132.30 170.86 83.5 4R5F ASG ASP A 137 136 T Turn -72.18 -9.91 136.1 4R5F ASG ASP A 138 137 T Turn -108.88 9.13 59.7 4R5F ASG THR A 139 138 E Strand -76.61 119.67 3.1 4R5F ASG ILE A 140 139 E Strand -109.00 -20.03 6.9 4R5F ASG LEU A 141 140 E Strand -150.31 142.36 0.0 4R5F ASG VAL A 142 141 E Strand -133.21 127.95 0.0 4R5F ASG SER A 143 142 E Strand -120.25 115.00 0.0 4R5F ASG VAL A 144 143 E Strand -135.93 121.56 0.0 4R5F ASG GLN A 145 144 E Strand -60.75 152.63 8.0 4R5F ASG HIS A 146 145 T Turn -68.56 -40.84 3.0 4R5F ASG ALA A 147 146 B Bridge -156.38 162.62 3.4 4R5F ASG ASN A 148 147 T Turn -98.83 125.17 4.0 4R5F ASG ASN A 149 148 T Turn -80.59 -9.72 32.3 4R5F ASG GLU A 150 149 T Turn -90.30 -50.54 25.0 4R5F ASG ILE A 151 150 T Turn -112.07 -2.19 0.4 4R5F ASG GLY A 152 151 T Turn 87.13 -11.78 0.0 4R5F ASG THR A 153 152 B Bridge -60.20 131.58 0.0 4R5F ASG ILE A 154 153 B Bridge -90.12 131.86 40.3 4R5F ASG GLN A 155 154 T Turn -89.64 152.28 2.6 4R5F ASG PRO A 156 155 T Turn -83.90 66.19 32.5 4R5F ASG VAL A 157 156 H AlphaHelix -68.15 -31.86 0.0 4R5F ASG GLU A 158 157 H AlphaHelix -65.28 -43.90 85.2 4R5F ASG GLU A 159 158 H AlphaHelix -65.20 -36.86 106.4 4R5F ASG ILE A 160 159 H AlphaHelix -65.94 -41.16 0.0 4R5F ASG SER A 161 160 H AlphaHelix -57.31 -45.06 26.7 4R5F ASG GLU A 162 161 H AlphaHelix -61.65 -34.13 156.3 4R5F ASG VAL A 163 162 H AlphaHelix -66.60 -40.21 34.7 4R5F ASG LEU A 164 163 H AlphaHelix -79.25 -33.89 3.0 4R5F ASG ALA A 165 164 T Turn -27.37 118.42 69.3 4R5F ASG GLY A 166 165 T Turn 63.89 26.66 90.3 4R5F ASG LYS A 167 166 T Turn -129.24 -44.27 107.6 4R5F ASG ALA A 168 167 C Coil -136.70 148.28 9.6 4R5F ASG ALA A 169 168 E Strand -69.28 143.61 5.1 4R5F ASG LEU A 170 169 E Strand -114.51 112.47 1.4 4R5F ASG HIS A 171 170 E Strand -95.66 128.58 0.0 4R5F ASG ILE A 172 171 E Strand -121.00 115.86 0.0 4R5F ASG ASP A 173 172 E Strand -76.55 108.88 9.9 4R5F ASG ALA A 174 173 T Turn -106.79 18.13 0.0 4R5F ASG THR A 175 174 T Turn -51.29 -39.26 18.2 4R5F ASG ALA A 176 175 T Turn -86.61 -13.67 7.2 4R5F ASG SER A 177 176 T Turn -104.82 -36.33 0.4 4R5F ASG VAL A 178 177 T Turn -57.26 127.91 7.3 4R5F ASG GLY A 179 178 T Turn 86.12 -1.69 8.5 4R5F ASG GLN A 180 179 T Turn -113.51 -49.16 4.6 4R5F ASG ILE A 181 180 T Turn -129.42 170.67 24.4 4R5F ASG GLU A 182 181 C Coil -70.35 127.71 76.5 4R5F ASG VAL A 183 182 C Coil -124.16 101.30 13.2 4R5F ASG ASP A 184 183 T Turn -128.01 109.06 24.2 4R5F ASG VAL A 185 184 T Turn -65.27 -17.64 0.0 4R5F ASG GLU A 186 185 T Turn -79.46 -39.87 95.4 4R5F ASG LYS A 187 186 T Turn -67.63 -42.01 120.8 4R5F ASG ILE A 188 187 T Turn -90.95 -3.40 1.8 4R5F ASG GLY A 189 188 T Turn 67.87 31.42 12.9 4R5F ASG ALA A 190 189 T Turn -71.18 139.56 0.0 4R5F ASG ASP A 191 190 T Turn -97.77 -27.60 40.9 4R5F ASG MET A 192 191 E Strand -139.44 140.39 0.0 4R5F ASG LEU A 193 192 E Strand -135.49 118.47 0.0 4R5F ASG THR A 194 193 E Strand -82.75 134.04 0.0 4R5F ASG ILE A 195 194 E Strand -131.19 134.57 0.6 4R5F ASG SER A 196 195 E Strand -107.64 130.33 17.9 4R5F ASG SER A 197 196 C Coil -66.95 -50.42 0.0 4R5F ASG ASN A 198 197 G 310Helix -66.15 -25.10 14.2 4R5F ASG LYS A 199 198 G 310Helix -67.21 -20.05 31.3 4R5F ASG ILE A 200 199 G 310Helix -111.05 33.87 2.6 4R5F ASG TYR A 201 200 C Coil 62.41 22.37 2.4 4R5F ASG GLY A 202 201 C Coil -82.74 179.81 0.0 4R5F ASG PRO A 203 202 T Turn -65.48 145.54 9.1 4R5F ASG LYS A 204 203 T Turn -64.24 162.01 133.0 4R5F ASG GLY A 205 204 T Turn 90.13 6.29 49.4 4R5F ASG VAL A 206 205 T Turn -144.67 150.42 6.2 4R5F ASG GLY A 207 206 E Strand -164.42 -161.88 0.0 4R5F ASG ALA A 208 207 E Strand -152.43 157.12 0.0 4R5F ASG LEU A 209 208 E Strand -112.64 117.08 0.0 4R5F ASG TRP A 210 209 E Strand -84.83 132.97 0.0 4R5F ASG ILE A 211 210 E Strand -126.05 124.61 9.0 4R5F ASG ARG A 212 211 E Strand -65.59 141.10 50.5 4R5F ASG LYS A 213 212 T Turn -49.56 136.05 157.1 4R5F ASG GLU A 214 213 T Turn 80.20 -6.85 170.4 4R5F ASG ALA A 215 214 T Turn -73.11 119.29 23.1 4R5F ASG LYS A 216 215 C Coil -100.71 134.02 65.6 4R5F ASG LEU A 217 216 C Coil -123.80 151.23 14.4 4R5F ASG GLN A 218 217 C Coil -93.29 132.74 89.8 4R5F ASG PRO A 219 218 T Turn -64.79 152.38 37.2 4R5F ASG VAL A 220 219 T Turn -95.08 -42.96 61.8 4R5F ASG ILE A 221 220 T Turn -96.81 121.39 75.9 4R5F ASG LEU A 222 221 T Turn -107.55 145.99 136.5 4R5F ASG GLY A 223 222 C Coil 164.79 -127.48 62.9 4R5F ASG GLY A 224 223 C Coil -74.24 0.52 69.1 4R5F ASG GLY A 225 224 C Coil 80.23 17.01 36.3 4R5F ASG GLN A 226 225 C Coil -58.90 171.97 28.2 4R5F ASG GLU A 227 226 G 310Helix 48.03 47.53 18.7 4R5F ASG ASN A 228 227 G 310Helix 52.69 38.59 164.4 4R5F ASG GLY A 229 228 G 310Helix 88.04 -14.97 33.0 4R5F ASG LEU A 230 229 T Turn -83.35 -17.58 36.8 4R5F ASG ARG A 231 230 T Turn -157.89 91.26 52.3 4R5F ASG SER A 232 231 T Turn -71.46 157.52 8.0 4R5F ASG GLY A 233 232 C Coil 129.26 143.13 30.6 4R5F ASG SER A 234 233 C Coil -55.52 134.60 78.9 4R5F ASG GLU A 235 234 C Coil -65.06 137.59 34.1 4R5F ASG ASN A 236 235 C Coil -86.00 82.39 78.1 4R5F ASG VAL A 237 236 H AlphaHelix -61.92 -43.45 6.6 4R5F ASG PRO A 238 237 H AlphaHelix -61.61 -40.86 16.0 4R5F ASG SER A 239 238 H AlphaHelix -71.92 -36.34 13.2 4R5F ASG ILE A 240 239 H AlphaHelix -61.49 -46.13 5.8 4R5F ASG VAL A 241 240 H AlphaHelix -63.05 -42.53 12.6 4R5F ASG GLY A 242 241 H AlphaHelix -62.27 -44.31 0.0 4R5F ASG PHE A 243 242 H AlphaHelix -55.48 -46.51 0.4 4R5F ASG GLY A 244 243 H AlphaHelix -59.44 -45.91 0.6 4R5F ASG LYS A 245 244 H AlphaHelix -61.68 -42.36 66.8 4R5F ASG ALA A 246 245 H AlphaHelix -57.86 -42.15 0.0 4R5F ASG ALA A 247 246 H AlphaHelix -65.26 -41.10 0.2 4R5F ASG GLU A 248 247 H AlphaHelix -66.13 -42.83 70.2 4R5F ASG ILE A 249 248 H AlphaHelix -65.36 -45.79 8.8 4R5F ASG THR A 250 249 H AlphaHelix -61.25 -38.25 2.2 4R5F ASG ALA A 251 250 H AlphaHelix -60.18 -37.97 50.5 4R5F ASG MET A 252 251 H AlphaHelix -81.03 -31.67 154.1 4R5F ASG GLU A 253 252 H AlphaHelix -114.05 -8.46 49.2 4R5F ASG TRP A 254 253 H AlphaHelix -68.21 -35.12 35.5 4R5F ASG ARG A 255 254 H AlphaHelix -63.99 -44.64 148.3 4R5F ASG GLU A 256 255 H AlphaHelix -64.59 -41.97 133.9 4R5F ASG GLU A 257 256 H AlphaHelix -66.28 -44.94 7.4 4R5F ASG ALA A 258 257 H AlphaHelix -52.78 -44.22 3.0 4R5F ASG GLU A 259 258 H AlphaHelix -63.16 -41.66 118.2 4R5F ASG ARG A 260 259 H AlphaHelix -62.69 -45.53 66.8 4R5F ASG LEU A 261 260 H AlphaHelix -65.48 -41.25 0.2 4R5F ASG ARG A 262 261 H AlphaHelix -55.40 -40.32 71.6 4R5F ASG ARG A 263 262 H AlphaHelix -62.59 -46.02 119.4 4R5F ASG LEU A 264 263 H AlphaHelix -67.63 -46.26 1.2 4R5F ASG ARG A 265 264 H AlphaHelix -52.06 -49.26 9.6 4R5F ASG ASP A 266 265 H AlphaHelix -67.43 -35.77 56.7 4R5F ASG ARG A 267 266 H AlphaHelix -57.11 -44.72 69.2 4R5F ASG ILE A 268 267 H AlphaHelix -65.87 -51.81 0.0 4R5F ASG ILE A 269 268 H AlphaHelix -61.84 -47.28 15.6 4R5F ASG ASP A 270 269 H AlphaHelix -55.77 -39.42 104.2 4R5F ASG ASN A 271 270 H AlphaHelix -89.31 -38.46 57.5 4R5F ASG VAL A 272 271 H AlphaHelix -60.93 -37.86 4.3 4R5F ASG LEU A 273 272 H AlphaHelix -73.20 -6.82 65.0 4R5F ASG LYS A 274 273 C Coil -69.21 -21.43 148.8 4R5F ASG ILE A 275 274 T Turn -66.27 135.75 24.9 4R5F ASG GLU A 276 275 T Turn -58.39 140.34 148.5 4R5F ASG GLU A 277 276 T Turn 50.26 51.63 75.2 4R5F ASG SER A 278 277 E Strand -111.78 146.44 14.7 4R5F ASG TYR A 279 278 E Strand -144.68 131.21 94.1 4R5F ASG LEU A 280 279 E Strand -76.95 134.07 36.9 4R5F ASG ASN A 281 280 C Coil -98.57 145.87 9.5 4R5F ASG GLY A 282 281 C Coil 79.28 170.54 5.1 4R5F ASG HIS A 283 282 T Turn -69.34 139.15 25.5 4R5F ASG PRO A 284 283 T Turn -79.69 -13.59 60.5 4R5F ASG GLU A 285 284 T Turn -125.41 -44.17 157.1 4R5F ASG LYS A 286 285 T Turn -79.57 72.61 117.5 4R5F ASG ARG A 287 286 B Bridge -146.61 139.34 1.5 4R5F ASG LEU A 288 287 T Turn -54.74 139.38 0.0 4R5F ASG PRO A 289 288 T Turn -60.01 -17.29 0.0 4R5F ASG ASN A 290 289 T Turn -107.55 9.83 1.0 4R5F ASG ASN A 291 290 E Strand -117.93 124.78 0.0 4R5F ASG VAL A 292 291 E Strand -128.68 111.18 0.2 4R5F ASG ASN A 293 292 E Strand -123.52 109.98 0.0 4R5F ASG VAL A 294 293 E Strand -129.88 142.73 2.4 4R5F ASG ARG A 295 294 E Strand -117.64 157.81 39.1 4R5F ASG PHE A 296 295 E Strand -132.60 128.88 5.9 4R5F ASG SER A 297 296 T Turn -61.26 140.34 30.7 4R5F ASG TYR A 298 297 T Turn 79.57 10.71 148.2 4R5F ASG ILE A 299 298 T Turn -131.29 153.89 12.2 4R5F ASG GLU A 300 299 C Coil -99.12 129.85 125.5 4R5F ASG GLY A 301 300 H AlphaHelix -55.60 -40.94 0.0 4R5F ASG GLU A 302 301 H AlphaHelix -59.88 -39.30 65.8 4R5F ASG SER A 303 302 H AlphaHelix -71.53 -29.59 25.1 4R5F ASG ILE A 304 303 H AlphaHelix -63.89 -49.37 0.0 4R5F ASG VAL A 305 304 H AlphaHelix -60.07 -39.15 34.6 4R5F ASG LEU A 306 305 H AlphaHelix -64.84 -50.83 90.6 4R5F ASG SER A 307 306 H AlphaHelix -58.65 -39.49 17.4 4R5F ASG LEU A 308 307 H AlphaHelix -66.37 -41.93 0.0 4R5F ASG ASP A 309 308 H AlphaHelix -54.87 -47.27 95.3 4R5F ASG MET A 310 309 H AlphaHelix -60.62 -30.14 147.6 4R5F ASG ALA A 311 310 H AlphaHelix -92.06 9.52 28.5 4R5F ASG GLY A 312 311 C Coil 80.75 30.85 35.0 4R5F ASG ILE A 313 312 C Coil -125.09 124.30 0.2 4R5F ASG GLN A 314 313 B Bridge -100.97 131.27 64.9 4R5F ASG ALA A 315 314 C Coil -151.41 -175.04 11.0 4R5F ASG SER A 316 315 B Bridge -143.10 170.25 18.2 4R5F ASG THR A 317 316 C Coil -104.42 -7.86 64.5 4R5F ASG GLY A 318 317 T Turn 146.14 360.00 52.9 4R5F ASG GLN A 327 318 T Turn 360.00 105.37 147.7 4R5F ASG PRO A 328 319 T Turn -74.66 162.94 72.6 4R5F ASG SER A 329 320 T Turn -49.80 126.27 29.1 4R5F ASG HIS A 330 321 H AlphaHelix -64.73 -25.54 66.4 4R5F ASG VAL A 331 322 H AlphaHelix -69.54 -51.07 3.6 4R5F ASG LEU A 332 323 H AlphaHelix -63.36 -37.50 2.8 4R5F ASG MET A 333 324 H AlphaHelix -68.92 -35.58 75.7 4R5F ASG ALA A 334 325 H AlphaHelix -65.78 -34.20 33.6 4R5F ASG CYS A 335 326 H AlphaHelix -71.10 -7.44 18.7 4R5F ASG GLY A 336 327 C Coil 96.54 14.37 58.3 4R5F ASG LEU A 337 328 C Coil -68.59 149.16 20.1 4R5F ASG LYS A 338 329 C Coil -76.30 155.46 148.4 4R5F ASG HIS A 339 330 H AlphaHelix -45.50 -55.39 65.2 4R5F ASG GLU A 340 331 H AlphaHelix -56.54 -35.09 82.0 4R5F ASG GLU A 341 332 H AlphaHelix -71.48 -44.98 68.9 4R5F ASG ALA A 342 333 H AlphaHelix -68.23 -26.55 10.3 4R5F ASG HIS A 343 334 H AlphaHelix -71.84 -21.94 56.0 4R5F ASG GLY A 344 335 C Coil -92.94 26.09 0.2 4R5F ASG THR A 345 336 E Strand -97.40 134.64 0.6 4R5F ASG LEU A 346 337 E Strand -118.30 130.14 1.5 4R5F ASG LEU A 347 338 E Strand -117.53 112.87 0.8 4R5F ASG LEU A 348 339 E Strand -108.95 119.07 2.0 4R5F ASG THR A 349 340 E Strand -121.71 130.38 0.0 4R5F ASG LEU A 350 341 C Coil -98.05 166.46 0.0 4R5F ASG GLY A 351 342 T Turn -164.78 -177.69 0.0 4R5F ASG ARG A 352 343 T Turn -52.48 -32.34 21.2 4R5F ASG TYR A 353 344 T Turn -101.48 -0.34 101.3 4R5F ASG ASN A 354 345 T Turn -63.12 144.74 7.4 4R5F ASG THR A 355 346 C Coil -122.94 168.35 55.9 4R5F ASG ASP A 356 347 H AlphaHelix -58.48 -33.71 47.8 4R5F ASG GLU A 357 348 H AlphaHelix -63.98 -40.66 124.0 4R5F ASG ASP A 358 349 H AlphaHelix -54.70 -47.84 34.5 4R5F ASG VAL A 359 350 H AlphaHelix -68.08 -37.77 0.0 4R5F ASG ASP A 360 351 H AlphaHelix -56.51 -46.37 77.0 4R5F ASG ARG A 361 352 H AlphaHelix -64.09 -49.01 114.1 4R5F ASG LEU A 362 353 H AlphaHelix -54.16 -47.88 0.0 4R5F ASG LEU A 363 354 H AlphaHelix -71.40 -20.34 31.6 4R5F ASG GLU A 364 355 H AlphaHelix -81.01 -31.63 152.7 4R5F ASG VAL A 365 356 H AlphaHelix -89.23 -45.96 22.2 4R5F ASG LEU A 366 357 H AlphaHelix -57.72 -43.05 1.0 4R5F ASG PRO A 367 358 H AlphaHelix -60.50 -38.73 61.0 4R5F ASG GLY A 368 359 H AlphaHelix -70.83 -30.54 37.2 4R5F ASG VAL A 369 360 H AlphaHelix -64.76 -43.54 2.2 4R5F ASG ILE A 370 361 H AlphaHelix -65.17 -39.37 2.0 4R5F ASG GLU A 371 362 H AlphaHelix -63.02 -45.27 77.8 4R5F ASG ARG A 372 363 H AlphaHelix -65.45 -45.61 140.5 4R5F ASG LEU A 373 364 H AlphaHelix -66.52 -31.49 20.8 4R5F ASG ARG A 374 365 H AlphaHelix -71.87 -34.31 52.9 4R5F ASG SER A 375 366 H AlphaHelix -54.98 -25.64 100.9 4R5F ASG MET A 376 367 H AlphaHelix -89.25 -9.16 134.7 4R5F ASG SER A 377 368 C Coil -86.56 131.70 45.3 4R5F ASG PRO A 378 369 C Coil -67.73 360.00 171.9 4R5F REM 4R5F REM ------------------ Mainchain hydrogen bonds ------------------------ 4R5F REM 4R5F REM Definition of Stickle et al., J.Mol.Biol. 226:1143-1159, 1992 4R5F REM A1 is the angle between the planes of donor complex and O..N-C 4R5F REM A2 is the angle between the planes of acceptor complex and N..O=C 4R5F REM 4R5F HBT 284 4R5F HBI 0 4R5F HBC 284 4r5f.pdb A 369 4R5F REM 4R5F REM |--Residue 1--| |--Residue 2--| N-O N..O=C O..N-C A1 A2 4R5F ACC ALA A 2 0 -> GLN A 314 312 3.0 151.1 106.5 10.9 65.1 4R5F DNR PHE A 4 2 -> GLN A 314 312 3.0 155.7 141.0 2.7 23.5 4R5F ACC PHE A 4 2 -> THR A 349 339 3.0 120.6 118.5 8.3 74.2 4R5F ACC ASP A 5 3 -> SER A 8 6 3.1 123.6 134.7 8.7 71.6 4R5F DNR TYR A 6 4 -> THR A 349 339 3.3 124.1 124.4 7.0 66.0 4R5F ACC TYR A 6 4 -> ALA A 9 7 3.3 105.6 121.9 37.7 88.0 4R5F DNR SER A 8 6 -> ASP A 5 3 3.1 123.6 134.7 8.7 71.6 4R5F DNR ALA A 9 7 -> TYR A 6 4 3.3 105.6 121.9 37.7 88.0 4R5F DNR ASP A 13 11 -> TYR A 201 199 3.1 143.8 109.9 8.8 10.4 4R5F ACC ASP A 13 11 -> ILE A 16 14 3.0 123.4 128.8 36.3 81.1 4R5F ACC ASP A 13 11 -> LEU A 17 15 3.1 162.2 111.4 6.0 4.9 4R5F ACC GLU A 14 12 -> GLU A 18 16 3.1 146.7 122.9 16.0 70.6 4R5F ACC ARG A 15 13 -> ALA A 19 17 3.4 136.6 116.4 27.4 61.5 4R5F DNR ILE A 16 14 -> ASP A 13 11 3.0 123.4 128.8 36.3 81.1 4R5F ACC ILE A 16 14 -> ALA A 19 17 3.0 114.0 122.2 51.4 88.1 4R5F ACC ILE A 16 14 -> MET A 20 18 3.1 159.8 111.2 33.6 42.4 4R5F DNR LEU A 17 15 -> ASP A 13 11 3.1 162.2 111.4 6.0 4.9 4R5F ACC LEU A 17 15 -> MET A 20 18 3.0 116.3 126.1 38.8 85.7 4R5F ACC LEU A 17 15 -> LEU A 21 19 3.1 169.5 111.7 33.6 64.5 4R5F DNR GLU A 18 16 -> GLU A 14 12 3.1 146.7 122.9 16.0 70.6 4R5F DNR ALA A 19 17 -> ARG A 15 13 3.4 136.6 116.4 27.4 61.5 4R5F DNR ALA A 19 17 -> ILE A 16 14 3.0 114.0 122.2 51.4 88.1 4R5F DNR MET A 20 18 -> ILE A 16 14 3.1 159.8 111.2 33.6 42.4 4R5F DNR MET A 20 18 -> LEU A 17 15 3.0 116.3 126.1 38.8 85.7 4R5F ACC MET A 20 18 -> TYR A 23 21 3.0 129.4 132.4 21.1 51.5 4R5F DNR LEU A 21 19 -> LEU A 17 15 3.1 169.5 111.7 33.6 64.5 4R5F ACC LEU A 21 19 -> MET A 24 22 3.0 121.7 128.3 24.8 85.4 4R5F ACC PRO A 22 20 -> GLU A 26 24 3.3 136.8 131.3 53.2 72.1 4R5F ACC PRO A 22 20 -> SER A 27 25 3.0 164.4 121.8 0.5 54.5 4R5F DNR TYR A 23 21 -> MET A 20 18 3.0 129.4 132.4 21.1 51.5 4R5F DNR MET A 24 22 -> LEU A 21 19 3.0 121.7 128.3 24.8 85.4 4R5F DNR GLU A 26 24 -> PRO A 22 20 3.3 136.8 131.3 53.2 72.1 4R5F DNR SER A 27 25 -> PRO A 22 20 3.0 164.4 121.8 0.5 54.5 4R5F ACC ASN A 30 28 -> SER A 33 31 3.0 129.2 129.6 6.7 76.6 4R5F DNR SER A 33 31 -> ASN A 30 28 3.0 129.2 129.6 6.7 76.6 4R5F ACC HIS A 35 33 -> PHE A 39 37 3.0 163.4 111.2 17.3 20.2 4R5F ACC SER A 36 34 -> PHE A 39 37 3.3 97.5 117.7 58.1 86.6 4R5F ACC SER A 36 34 -> LYS A 40 38 3.1 149.3 120.7 7.9 80.3 4R5F ACC TYR A 37 35 -> ALA A 41 39 3.2 150.9 123.0 17.1 64.5 4R5F ACC GLY A 38 36 -> ALA A 41 39 3.2 108.6 120.2 59.4 79.3 4R5F ACC GLY A 38 36 -> ARG A 42 40 3.0 159.3 119.3 16.8 52.4 4R5F DNR PHE A 39 37 -> HIS A 35 33 3.0 163.4 111.2 17.3 20.2 4R5F DNR PHE A 39 37 -> SER A 36 34 3.3 97.5 117.7 58.1 86.6 4R5F ACC PHE A 39 37 -> GLU A 43 41 3.0 158.3 118.5 20.3 58.5 4R5F DNR LYS A 40 38 -> SER A 36 34 3.1 149.3 120.7 7.9 80.3 4R5F ACC LYS A 40 38 -> GLU A 43 41 3.3 104.3 121.6 57.5 84.7 4R5F ACC LYS A 40 38 -> ALA A 44 42 3.0 154.5 119.8 19.1 63.9 4R5F DNR ALA A 41 39 -> TYR A 37 35 3.2 150.9 123.0 17.1 64.5 4R5F DNR ALA A 41 39 -> GLY A 38 36 3.2 108.6 120.2 59.4 79.3 4R5F ACC ALA A 41 39 -> ALA A 44 42 3.3 105.3 121.2 59.9 85.4 4R5F ACC ALA A 41 39 -> VAL A 45 43 3.0 155.4 119.4 16.0 59.9 4R5F DNR ARG A 42 40 -> GLY A 38 36 3.0 159.3 119.3 16.8 52.4 4R5F ACC ARG A 42 40 -> GLN A 46 44 3.0 154.5 120.3 16.5 63.3 4R5F DNR GLU A 43 41 -> PHE A 39 37 3.0 158.3 118.5 20.3 58.5 4R5F DNR GLU A 43 41 -> LYS A 40 38 3.3 104.3 121.6 57.5 84.7 4R5F ACC GLU A 43 41 -> GLU A 47 45 3.1 148.5 126.4 11.7 77.7 4R5F DNR ALA A 44 42 -> LYS A 40 38 3.0 154.5 119.8 19.1 63.9 4R5F DNR ALA A 44 42 -> ALA A 41 39 3.3 105.3 121.2 59.9 85.4 4R5F ACC ALA A 44 42 -> ALA A 48 46 3.0 154.9 124.3 1.2 65.9 4R5F DNR VAL A 45 43 -> ALA A 41 39 3.0 155.4 119.4 16.0 59.9 4R5F ACC VAL A 45 43 -> ARG A 49 47 3.0 154.0 123.6 19.6 62.8 4R5F DNR GLN A 46 44 -> ARG A 42 40 3.0 154.5 120.3 16.5 63.3 4R5F ACC GLN A 46 44 -> GLU A 50 48 3.0 151.4 115.4 19.0 56.7 4R5F DNR GLU A 47 45 -> GLU A 43 41 3.1 148.5 126.4 11.7 77.7 4R5F ACC GLU A 47 45 -> GLU A 50 48 3.0 121.7 120.7 56.4 85.6 4R5F ACC GLU A 47 45 -> LYS A 51 49 3.0 163.0 108.5 12.4 0.3 4R5F DNR ALA A 48 46 -> ALA A 44 42 3.0 154.9 124.3 1.2 65.9 4R5F ACC ALA A 48 46 -> LYS A 51 49 3.2 109.2 119.1 58.5 86.0 4R5F ACC ALA A 48 46 -> VAL A 52 50 3.1 159.2 113.1 20.7 55.2 4R5F DNR ARG A 49 47 -> VAL A 45 43 3.0 154.0 123.6 19.6 62.8 4R5F ACC ARG A 49 47 -> VAL A 52 50 3.3 108.7 124.7 51.6 82.8 4R5F ACC ARG A 49 47 -> ALA A 53 51 3.1 156.8 120.3 10.3 50.2 4R5F DNR GLU A 50 48 -> GLN A 46 44 3.0 151.4 115.4 19.0 56.7 4R5F DNR GLU A 50 48 -> GLU A 47 45 3.0 121.7 120.7 56.4 85.6 4R5F ACC GLU A 50 48 -> LYS A 54 52 3.0 160.1 122.4 15.3 63.2 4R5F DNR LYS A 51 49 -> GLU A 47 45 3.0 163.0 108.5 12.4 0.3 4R5F DNR LYS A 51 49 -> ALA A 48 46 3.2 109.2 119.1 58.5 86.0 4R5F ACC LYS A 51 49 -> LEU A 55 53 3.4 135.5 124.5 22.8 76.3 4R5F DNR VAL A 52 50 -> ALA A 48 46 3.1 159.2 113.1 20.7 55.2 4R5F DNR VAL A 52 50 -> ARG A 49 47 3.3 108.7 124.7 51.6 82.8 4R5F ACC VAL A 52 50 -> LEU A 55 53 3.4 105.3 120.9 56.0 83.0 4R5F DNR ALA A 53 51 -> ARG A 49 47 3.1 156.8 120.3 10.3 50.2 4R5F ACC ALA A 53 51 -> VAL A 56 54 3.1 120.9 123.5 39.1 76.3 4R5F ACC ALA A 53 51 -> GLY A 58 56 3.0 136.6 124.0 19.0 72.9 4R5F DNR LYS A 54 52 -> GLU A 50 48 3.0 160.1 122.4 15.3 63.2 4R5F ACC LYS A 54 52 -> ASN A 57 55 3.2 108.6 131.5 4.4 89.0 4R5F DNR LEU A 55 53 -> LYS A 51 49 3.4 135.5 124.5 22.8 76.3 4R5F DNR LEU A 55 53 -> VAL A 52 50 3.4 105.3 120.9 56.0 83.0 4R5F DNR VAL A 56 54 -> ALA A 53 51 3.1 120.9 123.5 39.1 76.3 4R5F ACC VAL A 56 54 -> VAL A 185 183 3.0 161.5 113.9 2.6 59.1 4R5F DNR ASN A 57 55 -> LYS A 54 52 3.2 108.6 131.5 4.4 89.0 4R5F DNR GLY A 58 56 -> ALA A 53 51 3.0 136.6 124.0 19.0 72.9 4R5F ACC GLY A 58 56 -> GLY A 61 59 3.0 126.7 124.1 31.7 75.4 4R5F ACC GLY A 60 58 -> LYS A 213 211 3.0 138.4 121.4 3.6 15.8 4R5F DNR GLY A 61 59 -> GLY A 58 56 3.0 126.7 124.1 31.7 75.4 4R5F DNR THR A 62 60 -> ILE A 211 209 3.0 149.5 108.9 5.1 58.7 4R5F ACC THR A 62 60 -> ILE A 211 209 3.0 154.7 114.8 11.1 55.2 4R5F DNR VAL A 64 62 -> LEU A 209 207 3.0 144.9 127.4 12.1 87.7 4R5F ACC VAL A 64 62 -> LEU A 209 207 3.0 155.2 106.3 15.8 10.4 4R5F DNR THR A 66 64 -> GLY A 207 205 3.0 133.7 118.5 9.2 81.2 4R5F ACC THR A 66 64 -> GLY A 207 205 3.0 120.7 105.6 7.5 86.2 4R5F ACC GLY A 68 66 -> ALA A 72 70 3.0 159.6 124.3 12.2 36.7 4R5F ACC ALA A 69 67 -> ASN A 73 71 3.0 157.9 121.9 5.0 78.0 4R5F ACC THR A 70 68 -> ASN A 74 72 3.0 156.9 118.7 13.2 57.2 4R5F ACC GLU A 71 69 -> LEU A 75 73 3.0 160.7 119.9 14.8 58.8 4R5F DNR ALA A 72 70 -> GLY A 68 66 3.0 159.6 124.3 12.2 36.7 4R5F ACC ALA A 72 70 -> ALA A 76 74 3.0 158.5 118.7 12.3 58.9 4R5F DNR ASN A 73 71 -> ALA A 69 67 3.0 157.9 121.9 5.0 78.0 4R5F ACC ASN A 73 71 -> ILE A 77 75 3.0 152.5 122.3 12.5 76.8 4R5F DNR ASN A 74 72 -> THR A 70 68 3.0 156.9 118.7 13.2 57.2 4R5F ACC ASN A 74 72 -> ILE A 77 75 3.5 102.5 111.3 59.6 83.7 4R5F ACC ASN A 74 72 -> ILE A 78 76 3.0 153.6 132.2 20.5 73.0 4R5F DNR LEU A 75 73 -> GLU A 71 69 3.0 160.7 119.9 14.8 58.8 4R5F ACC LEU A 75 73 -> GLY A 79 77 3.0 136.1 146.4 43.0 53.3 4R5F DNR ALA A 76 74 -> ALA A 72 70 3.0 158.5 118.7 12.3 58.9 4R5F ACC ALA A 76 74 -> TYR A 80 78 3.2 127.7 142.5 0.7 81.1 4R5F DNR ILE A 77 75 -> ASN A 73 71 3.0 152.5 122.3 12.5 76.8 4R5F DNR ILE A 77 75 -> ASN A 74 72 3.5 102.5 111.3 59.6 83.7 4R5F ACC ILE A 77 75 -> ALA A 81 79 3.1 140.1 139.6 15.3 75.3 4R5F DNR ILE A 78 76 -> ASN A 74 72 3.0 153.6 132.2 20.5 73.0 4R5F ACC ILE A 78 76 -> MET A 82 80 3.0 154.0 128.5 11.0 84.1 4R5F DNR GLY A 79 77 -> LEU A 75 73 3.0 136.1 146.4 43.0 53.3 4R5F ACC GLY A 79 77 -> ARG A 83 81 3.3 141.9 133.2 21.8 73.8 4R5F ACC GLY A 79 77 -> GLN A 218 216 3.0 116.6 118.2 2.6 54.7 4R5F DNR TYR A 80 78 -> ALA A 76 74 3.2 127.7 142.5 0.7 81.1 4R5F ACC TYR A 80 78 -> ARG A 83 81 3.3 106.0 120.5 58.8 79.2 4R5F ACC TYR A 80 78 -> ASN A 84 82 3.0 157.8 117.1 38.9 67.6 4R5F DNR ALA A 81 79 -> ILE A 77 75 3.1 140.1 139.6 15.3 75.3 4R5F ACC ALA A 81 79 -> ASN A 84 82 3.4 102.4 124.1 35.5 81.7 4R5F DNR MET A 82 80 -> ILE A 78 76 3.0 154.0 128.5 11.0 84.1 4R5F DNR ARG A 83 81 -> GLY A 79 77 3.3 141.9 133.2 21.8 73.8 4R5F DNR ARG A 83 81 -> TYR A 80 78 3.3 106.0 120.5 58.8 79.2 4R5F DNR ASN A 84 82 -> TYR A 80 78 3.0 157.8 117.1 38.9 67.6 4R5F DNR ASN A 84 82 -> ALA A 81 79 3.4 102.4 124.1 35.5 81.7 4R5F ACC ASN A 84 82 -> LYS A 87 85 3.0 132.5 130.6 8.1 65.0 4R5F ACC ALA A 85 83 -> GLY A 88 86 3.1 112.6 133.5 15.9 85.4 4R5F DNR LYS A 87 85 -> ASN A 84 82 3.0 132.5 130.6 8.1 65.0 4R5F DNR GLY A 88 86 -> ALA A 85 83 3.1 112.6 133.5 15.9 85.4 4R5F ACC LYS A 89 87 -> GLU A 114 112 3.0 153.8 116.4 24.5 78.8 4R5F DNR HIS A 90 88 -> ASP A 138 136 3.1 144.8 134.8 8.9 63.0 4R5F ACC HIS A 90 88 -> ILE A 140 138 3.0 159.9 108.7 5.5 34.4 4R5F DNR ILE A 91 89 -> GLU A 114 112 3.0 165.1 115.9 17.7 73.9 4R5F ACC ILE A 91 89 -> GLU A 116 114 3.0 166.1 114.4 10.7 53.5 4R5F DNR LEU A 92 90 -> LEU A 141 139 3.0 153.1 111.3 3.1 37.8 4R5F ACC LEU A 92 90 -> SER A 143 141 3.0 162.7 105.8 4.8 34.7 4R5F DNR VAL A 93 91 -> GLU A 116 114 3.2 157.0 109.2 2.7 60.4 4R5F ACC VAL A 93 91 -> ILE A 118 116 3.0 143.9 109.6 0.3 68.9 4R5F DNR SER A 94 92 -> SER A 143 141 3.0 176.4 112.8 20.5 85.0 4R5F ACC SER A 94 92 -> GLU A 97 95 3.4 109.8 127.3 1.0 80.5 4R5F DNR ALA A 95 93 -> ILE A 118 116 3.0 140.5 122.8 27.1 39.8 4R5F DNR GLU A 97 95 -> SER A 94 92 3.4 109.8 127.3 1.0 80.5 4R5F ACC HIS A 98 96 -> VAL A 101 99 3.0 126.0 133.5 10.6 73.3 4R5F ACC HIS A 98 96 -> ILE A 102 100 3.1 151.7 111.0 5.0 13.1 4R5F ACC MET A 99 97 -> ASN A 103 101 3.0 142.2 130.7 0.8 56.1 4R5F DNR VAL A 101 99 -> HIS A 98 96 3.0 126.0 133.5 10.6 73.3 4R5F ACC VAL A 101 99 -> ALA A 105 103 3.0 155.0 123.1 19.1 49.8 4R5F DNR ILE A 102 100 -> HIS A 98 96 3.1 151.7 111.0 5.0 13.1 4R5F ACC ILE A 102 100 -> LYS A 106 104 3.0 158.6 116.3 19.4 56.0 4R5F DNR ASN A 103 101 -> MET A 99 97 3.0 142.2 130.7 0.8 56.1 4R5F ACC ASN A 103 101 -> PHE A 107 105 3.0 158.0 117.7 17.2 66.0 4R5F ACC PRO A 104 102 -> LEU A 108 106 3.0 153.3 114.7 15.6 60.8 4R5F DNR ALA A 105 103 -> VAL A 101 99 3.0 155.0 123.1 19.1 49.8 4R5F ACC ALA A 105 103 -> GLN A 109 107 3.0 154.1 112.5 17.9 44.2 4R5F DNR LYS A 106 104 -> ILE A 102 100 3.0 158.6 116.3 19.4 56.0 4R5F ACC LYS A 106 104 -> LYS A 110 108 3.2 148.1 110.2 25.5 62.0 4R5F DNR PHE A 107 105 -> ASN A 103 101 3.0 158.0 117.7 17.2 66.0 4R5F ACC PHE A 107 105 -> LYS A 110 108 3.0 118.9 130.3 46.3 81.1 4R5F ACC PHE A 107 105 -> GLN A 111 109 3.1 150.9 101.7 37.5 18.5 4R5F DNR LEU A 108 106 -> PRO A 104 102 3.0 153.3 114.7 15.6 60.8 4R5F ACC LEU A 108 106 -> GLN A 111 109 3.0 109.4 132.5 39.4 87.7 4R5F ACC LEU A 108 106 -> GLY A 112 110 3.1 158.3 90.8 51.7 56.3 4R5F ACC LEU A 108 106 -> PHE A 113 111 3.0 140.4 130.5 10.8 66.6 4R5F DNR GLN A 109 107 -> ALA A 105 103 3.0 154.1 112.5 17.9 44.2 4R5F ACC GLN A 109 107 -> GLY A 112 110 3.2 105.8 135.4 0.8 81.9 4R5F DNR LYS A 110 108 -> LYS A 106 104 3.2 148.1 110.2 25.5 62.0 4R5F DNR LYS A 110 108 -> PHE A 107 105 3.0 118.9 130.3 46.3 81.1 4R5F DNR GLN A 111 109 -> PHE A 107 105 3.1 150.9 101.7 37.5 18.5 4R5F DNR GLN A 111 109 -> LEU A 108 106 3.0 109.4 132.5 39.4 87.7 4R5F DNR GLY A 112 110 -> LEU A 108 106 3.1 158.3 90.8 51.7 56.3 4R5F DNR GLY A 112 110 -> GLN A 109 107 3.2 105.8 135.4 0.8 81.9 4R5F DNR PHE A 113 111 -> LEU A 108 106 3.0 140.4 130.5 10.8 66.6 4R5F DNR GLU A 114 112 -> LYS A 89 87 3.0 153.8 116.4 24.5 78.8 4R5F ACC GLU A 114 112 -> ILE A 91 89 3.0 165.1 115.9 17.7 73.9 4R5F DNR GLU A 116 114 -> ILE A 91 89 3.0 166.1 114.4 10.7 53.5 4R5F ACC GLU A 116 114 -> VAL A 93 91 3.2 157.0 109.2 2.7 60.4 4R5F DNR ILE A 118 116 -> VAL A 93 91 3.0 143.9 109.6 0.3 68.9 4R5F ACC ILE A 118 116 -> ALA A 95 93 3.0 140.5 122.8 27.1 39.8 4R5F ACC PRO A 119 117 -> ASP A 127 125 3.0 157.4 115.0 22.0 45.4 4R5F DNR GLY A 121 119 -> GLU A 125 123 3.0 151.5 105.2 2.9 44.0 4R5F ACC GLY A 121 119 -> GLY A 124 122 3.0 123.1 135.0 5.6 76.5 4R5F DNR GLY A 124 122 -> GLY A 121 119 3.0 123.1 135.0 5.6 76.5 4R5F ACC GLU A 125 123 -> GLY A 121 119 3.0 151.5 105.2 2.9 44.0 4R5F DNR ASP A 127 125 -> PRO A 119 117 3.0 157.4 115.0 22.0 45.4 4R5F ACC ASP A 127 125 -> PHE A 130 128 3.2 109.0 130.0 51.4 76.4 4R5F ACC ASP A 127 125 -> ILE A 131 129 3.4 146.3 107.1 21.5 31.1 4R5F ACC VAL A 128 126 -> ILE A 131 129 3.0 108.7 121.7 54.0 88.0 4R5F ACC VAL A 128 126 -> ASP A 132 130 3.0 158.0 114.1 8.4 50.0 4R5F ACC SER A 129 127 -> GLN A 133 131 3.0 151.3 124.0 22.5 74.3 4R5F DNR PHE A 130 128 -> ASP A 127 125 3.2 109.0 130.0 51.4 76.4 4R5F ACC PHE A 130 128 -> GLN A 133 131 3.2 105.1 119.8 58.0 84.5 4R5F ACC PHE A 130 128 -> LYS A 134 132 3.0 158.3 122.6 25.3 72.5 4R5F DNR ILE A 131 129 -> ASP A 127 125 3.4 146.3 107.1 21.5 31.1 4R5F DNR ILE A 131 129 -> VAL A 128 126 3.0 108.7 121.7 54.0 88.0 4R5F ACC ILE A 131 129 -> LYS A 134 132 3.3 107.3 118.0 50.2 87.2 4R5F ACC ILE A 131 129 -> LEU A 135 133 3.0 159.0 118.3 45.8 87.2 4R5F DNR ASP A 132 130 -> VAL A 128 126 3.0 158.0 114.1 8.4 50.0 4R5F DNR GLN A 133 131 -> SER A 129 127 3.0 151.3 124.0 22.5 74.3 4R5F DNR GLN A 133 131 -> PHE A 130 128 3.2 105.1 119.8 58.0 84.5 4R5F DNR LYS A 134 132 -> PHE A 130 128 3.0 158.3 122.6 25.3 72.5 4R5F DNR LYS A 134 132 -> ILE A 131 129 3.3 107.3 118.0 50.2 87.2 4R5F DNR LEU A 135 133 -> ILE A 131 129 3.0 159.0 118.3 45.8 87.2 4R5F ACC ARG A 136 134 -> THR A 139 137 3.1 109.0 132.2 9.9 87.7 4R5F ACC ASP A 138 136 -> HIS A 90 88 3.1 144.8 134.8 8.9 63.0 4R5F DNR THR A 139 137 -> ARG A 136 134 3.1 109.0 132.2 9.9 87.7 4R5F DNR ILE A 140 138 -> HIS A 90 88 3.0 159.9 108.7 5.5 34.4 4R5F ACC ILE A 140 138 -> ALA A 169 167 3.1 124.8 125.5 21.8 74.0 4R5F ACC LEU A 141 139 -> LEU A 92 90 3.0 153.1 111.3 3.1 37.8 4R5F DNR VAL A 142 140 -> ALA A 169 167 3.0 169.5 112.6 24.8 67.7 4R5F ACC VAL A 142 140 -> HIS A 171 169 3.0 167.6 116.8 13.8 30.0 4R5F DNR SER A 143 141 -> LEU A 92 90 3.0 162.7 105.8 4.8 34.7 4R5F ACC SER A 143 141 -> SER A 94 92 3.0 176.4 112.8 20.5 85.0 4R5F DNR VAL A 144 142 -> HIS A 171 169 3.1 176.4 107.6 16.8 55.8 4R5F DNR HIS A 146 144 -> ASP A 173 171 3.0 140.9 115.1 2.6 82.1 4R5F ACC HIS A 146 144 -> GLN A 155 153 3.0 147.7 125.2 7.1 61.4 4R5F DNR ASN A 148 146 -> THR A 153 151 3.0 152.6 107.1 16.4 55.3 4R5F ACC ASN A 148 146 -> GLY A 152 150 3.0 141.1 152.8 9.3 69.3 4R5F DNR GLY A 152 150 -> ASN A 148 146 3.0 141.1 152.8 9.3 69.3 4R5F ACC GLY A 152 150 -> LEU A 288 286 3.0 142.4 111.5 5.5 39.3 4R5F ACC THR A 153 151 -> ASN A 148 146 3.0 152.6 107.1 16.4 55.3 4R5F DNR ILE A 154 152 -> LYS A 286 284 3.0 134.7 116.1 8.6 66.6 4R5F DNR GLN A 155 153 -> HIS A 146 144 3.0 147.7 125.2 7.1 61.4 4R5F ACC GLN A 155 153 -> VAL A 157 155 3.0 90.9 93.4 16.4 43.2 4R5F ACC PRO A 156 154 -> GLU A 159 157 3.3 114.8 121.7 57.8 74.9 4R5F ACC PRO A 156 154 -> ILE A 160 158 3.1 152.2 116.2 22.1 22.0 4R5F DNR VAL A 157 155 -> GLN A 155 153 3.0 90.9 93.4 16.4 43.2 4R5F ACC VAL A 157 155 -> SER A 161 159 3.0 158.6 118.6 16.6 76.1 4R5F ACC GLU A 158 156 -> SER A 161 159 3.3 103.9 118.4 59.9 87.7 4R5F ACC GLU A 158 156 -> GLU A 162 160 3.2 152.1 115.8 15.8 64.6 4R5F DNR GLU A 159 157 -> PRO A 156 154 3.3 114.8 121.7 57.8 74.9 4R5F ACC GLU A 159 157 -> GLU A 162 160 3.4 103.8 120.0 57.7 81.1 4R5F ACC GLU A 159 157 -> VAL A 163 161 3.3 147.5 113.8 22.8 51.2 4R5F DNR ILE A 160 158 -> PRO A 156 154 3.1 152.2 116.2 22.1 22.0 4R5F ACC ILE A 160 158 -> VAL A 163 161 3.1 109.8 124.2 54.2 84.9 4R5F ACC ILE A 160 158 -> LEU A 164 162 3.1 157.6 113.6 24.0 46.2 4R5F DNR SER A 161 159 -> VAL A 157 155 3.0 158.6 118.6 16.6 76.1 4R5F DNR SER A 161 159 -> GLU A 158 156 3.3 103.9 118.4 59.9 87.7 4R5F ACC SER A 161 159 -> LEU A 164 162 3.0 114.0 121.3 49.8 86.3 4R5F ACC SER A 161 159 -> ALA A 165 163 3.0 169.3 120.0 36.7 62.5 4R5F DNR GLU A 162 160 -> GLU A 158 156 3.2 152.1 115.8 15.8 64.6 4R5F DNR GLU A 162 160 -> GLU A 159 157 3.4 103.8 120.0 57.7 81.1 4R5F DNR VAL A 163 161 -> GLU A 159 157 3.3 147.5 113.8 22.8 51.2 4R5F DNR VAL A 163 161 -> ILE A 160 158 3.1 109.8 124.2 54.2 84.9 4R5F DNR LEU A 164 162 -> ILE A 160 158 3.1 157.6 113.6 24.0 46.2 4R5F DNR LEU A 164 162 -> SER A 161 159 3.0 114.0 121.3 49.8 86.3 4R5F ACC LEU A 164 162 -> LYS A 167 165 3.0 153.3 121.4 49.5 52.8 4R5F DNR ALA A 165 163 -> SER A 161 159 3.0 169.3 120.0 36.7 62.5 4R5F DNR LYS A 167 165 -> LEU A 164 162 3.0 153.3 121.4 49.5 52.8 4R5F DNR ALA A 169 167 -> ILE A 140 138 3.1 124.8 125.5 21.8 74.0 4R5F ACC ALA A 169 167 -> VAL A 142 140 3.0 169.5 112.6 24.8 67.7 4R5F ACC LEU A 170 168 -> ASP A 191 189 3.0 154.7 131.0 15.6 5.1 4R5F ACC LEU A 170 168 -> MET A 192 190 3.2 145.0 108.7 12.6 48.4 4R5F DNR HIS A 171 169 -> VAL A 142 140 3.0 167.6 116.8 13.8 30.0 4R5F ACC HIS A 171 169 -> VAL A 144 142 3.1 176.4 107.6 16.8 55.8 4R5F DNR ILE A 172 170 -> MET A 192 190 3.0 154.7 114.9 4.7 71.0 4R5F ACC ILE A 172 170 -> THR A 194 192 3.1 149.9 106.7 13.3 48.3 4R5F ACC ASP A 173 171 -> HIS A 146 144 3.0 140.9 115.1 2.6 82.1 4R5F DNR ALA A 174 172 -> THR A 194 192 3.1 137.5 144.8 18.2 28.5 4R5F ACC ALA A 174 172 -> SER A 177 175 3.1 113.9 126.6 23.2 89.6 4R5F ACC ALA A 174 172 -> VAL A 178 176 3.1 158.7 119.2 3.8 37.4 4R5F DNR SER A 177 175 -> ALA A 174 172 3.1 113.9 126.6 23.2 89.6 4R5F ACC SER A 177 175 -> GLN A 180 178 3.0 141.0 133.7 9.6 71.8 4R5F ACC SER A 177 175 -> ILE A 181 179 3.1 155.3 111.5 0.5 18.7 4R5F DNR VAL A 178 176 -> ALA A 174 172 3.1 158.7 119.2 3.8 37.4 4R5F DNR GLN A 180 178 -> SER A 177 175 3.0 141.0 133.7 9.6 71.8 4R5F DNR ILE A 181 179 -> SER A 177 175 3.1 155.3 111.5 0.5 18.7 4R5F ACC ASP A 184 182 -> LYS A 187 185 3.0 122.2 117.3 54.7 83.6 4R5F ACC ASP A 184 182 -> ILE A 188 186 3.0 169.0 115.0 10.2 2.1 4R5F DNR VAL A 185 183 -> VAL A 56 54 3.0 161.5 113.9 2.6 59.1 4R5F ACC VAL A 185 183 -> GLY A 189 187 3.0 128.7 130.1 54.8 88.4 4R5F ACC VAL A 185 183 -> ALA A 190 188 3.2 140.8 103.5 30.1 13.1 4R5F DNR LYS A 187 185 -> ASP A 184 182 3.0 122.2 117.3 54.7 83.6 4R5F DNR ILE A 188 186 -> ASP A 184 182 3.0 169.0 115.0 10.2 2.1 4R5F DNR GLY A 189 187 -> VAL A 185 183 3.0 128.7 130.1 54.8 88.4 4R5F DNR ALA A 190 188 -> VAL A 185 183 3.2 140.8 103.5 30.1 13.1 4R5F DNR ASP A 191 189 -> LEU A 170 168 3.0 154.7 131.0 15.6 5.1 4R5F ACC ASP A 191 189 -> ARG A 212 210 3.0 147.5 122.0 2.9 65.9 4R5F DNR MET A 192 190 -> LEU A 170 168 3.2 145.0 108.7 12.6 48.4 4R5F ACC MET A 192 190 -> ILE A 172 170 3.0 154.7 114.9 4.7 71.0 4R5F DNR LEU A 193 191 -> TRP A 210 208 3.0 149.2 106.8 12.4 27.8 4R5F ACC LEU A 193 191 -> TRP A 210 208 3.0 146.7 114.6 11.3 39.1 4R5F DNR THR A 194 192 -> ILE A 172 170 3.1 149.9 106.7 13.3 48.3 4R5F ACC THR A 194 192 -> ALA A 174 172 3.1 137.5 144.8 18.2 28.5 4R5F DNR ILE A 195 193 -> ALA A 208 206 3.0 158.6 119.4 14.2 53.2 4R5F ACC ILE A 195 193 -> ALA A 208 206 3.0 148.1 112.2 4.3 48.1 4R5F DNR SER A 197 195 -> VAL A 206 204 3.4 133.3 138.7 2.3 42.2 4R5F ACC SER A 197 195 -> ILE A 200 198 3.0 123.7 131.6 27.7 74.3 4R5F ACC SER A 197 195 -> GLY A 202 200 3.0 130.2 142.0 17.2 67.4 4R5F ACC ASN A 198 196 -> TYR A 201 199 3.0 110.4 132.0 25.0 89.9 4R5F DNR ILE A 200 198 -> SER A 197 195 3.0 123.7 131.6 27.7 74.3 4R5F DNR TYR A 201 199 -> ASN A 198 196 3.0 110.4 132.0 25.0 89.9 4R5F ACC TYR A 201 199 -> ASP A 13 11 3.1 143.8 109.9 8.8 10.4 4R5F DNR GLY A 202 200 -> SER A 197 195 3.0 130.2 142.0 17.2 67.4 4R5F ACC VAL A 206 204 -> SER A 197 195 3.4 133.3 138.7 2.3 42.2 4R5F DNR GLY A 207 205 -> THR A 66 64 3.0 120.7 105.6 7.5 86.2 4R5F ACC GLY A 207 205 -> THR A 66 64 3.0 133.7 118.5 9.2 81.2 4R5F DNR ALA A 208 206 -> ILE A 195 193 3.0 148.1 112.2 4.3 48.1 4R5F ACC ALA A 208 206 -> ILE A 195 193 3.0 158.6 119.4 14.2 53.2 4R5F DNR LEU A 209 207 -> VAL A 64 62 3.0 155.2 106.3 15.8 10.4 4R5F ACC LEU A 209 207 -> VAL A 64 62 3.0 144.9 127.4 12.1 87.7 4R5F DNR TRP A 210 208 -> LEU A 193 191 3.0 146.7 114.6 11.3 39.1 4R5F ACC TRP A 210 208 -> LEU A 193 191 3.0 149.2 106.8 12.4 27.8 4R5F DNR ILE A 211 209 -> THR A 62 60 3.0 154.7 114.8 11.1 55.2 4R5F ACC ILE A 211 209 -> THR A 62 60 3.0 149.5 108.9 5.1 58.7 4R5F DNR ARG A 212 210 -> ASP A 191 189 3.0 147.5 122.0 2.9 65.9 4R5F ACC ARG A 212 210 -> ALA A 215 213 3.0 147.2 136.0 7.8 57.5 4R5F DNR LYS A 213 211 -> GLY A 60 58 3.0 138.4 121.4 3.6 15.8 4R5F DNR ALA A 215 213 -> ARG A 212 210 3.0 147.2 136.0 7.8 57.5 4R5F DNR GLN A 218 216 -> GLY A 79 77 3.0 116.6 118.2 2.6 54.7 4R5F ACC ILE A 221 219 -> SER A 232 230 3.3 132.6 125.0 6.7 80.8 4R5F ACC GLY A 225 223 -> GLY A 229 227 3.0 122.1 129.1 36.6 77.5 4R5F ACC GLN A 226 224 -> GLY A 229 227 3.0 118.2 127.7 40.3 82.7 4R5F ACC GLN A 226 224 -> ARG A 231 229 3.5 139.1 133.4 3.3 58.1 4R5F ACC GLU A 227 225 -> LEU A 230 228 3.0 122.7 129.7 9.1 80.9 4R5F DNR GLY A 229 227 -> GLY A 225 223 3.0 122.1 129.1 36.6 77.5 4R5F DNR GLY A 229 227 -> GLN A 226 224 3.0 118.2 127.7 40.3 82.7 4R5F DNR LEU A 230 228 -> GLU A 227 225 3.0 122.7 129.7 9.1 80.9 4R5F DNR ARG A 231 229 -> GLN A 226 224 3.5 139.1 133.4 3.3 58.1 4R5F DNR SER A 232 230 -> ILE A 221 219 3.3 132.6 125.0 6.7 80.8 4R5F ACC ASN A 236 234 -> SER A 239 237 3.3 119.8 117.5 53.0 71.2 4R5F ACC ASN A 236 234 -> ILE A 240 238 3.0 163.9 121.9 12.7 15.4 4R5F ACC VAL A 237 235 -> VAL A 241 239 3.0 160.3 122.4 12.2 78.8 4R5F ACC PRO A 238 236 -> GLY A 242 240 3.0 152.7 119.3 16.5 52.6 4R5F DNR SER A 239 237 -> ASN A 236 234 3.3 119.8 117.5 53.0 71.2 4R5F ACC SER A 239 237 -> PHE A 243 241 3.0 156.0 121.9 8.9 68.0 4R5F DNR ILE A 240 238 -> ASN A 236 234 3.0 163.9 121.9 12.7 15.4 4R5F ACC ILE A 240 238 -> GLY A 244 242 3.0 158.2 119.5 13.2 57.2 4R5F DNR VAL A 241 239 -> VAL A 237 235 3.0 160.3 122.4 12.2 78.8 4R5F ACC VAL A 241 239 -> LYS A 245 243 3.0 154.8 118.6 13.2 61.9 4R5F DNR GLY A 242 240 -> PRO A 238 236 3.0 152.7 119.3 16.5 52.6 4R5F ACC GLY A 242 240 -> ALA A 246 244 3.0 157.8 120.2 16.4 55.4 4R5F DNR PHE A 243 241 -> SER A 239 237 3.0 156.0 121.9 8.9 68.0 4R5F ACC PHE A 243 241 -> ALA A 247 245 3.0 157.0 117.0 22.4 61.6 4R5F DNR GLY A 244 242 -> ILE A 240 238 3.0 158.2 119.5 13.2 57.2 4R5F ACC GLY A 244 242 -> ALA A 247 245 3.2 104.1 121.8 56.0 84.4 4R5F ACC GLY A 244 242 -> GLU A 248 246 3.0 153.2 117.2 19.7 58.7 4R5F DNR LYS A 245 243 -> VAL A 241 239 3.0 154.8 118.6 13.2 61.9 4R5F ACC LYS A 245 243 -> GLU A 248 246 3.1 111.7 118.7 55.7 87.3 4R5F ACC LYS A 245 243 -> ILE A 249 247 3.0 164.2 119.7 10.5 60.6 4R5F DNR ALA A 246 244 -> GLY A 242 240 3.0 157.8 120.2 16.4 55.4 4R5F ACC ALA A 246 244 -> THR A 250 248 3.0 156.4 125.7 13.1 64.0 4R5F DNR ALA A 247 245 -> PHE A 243 241 3.0 157.0 117.0 22.4 61.6 4R5F DNR ALA A 247 245 -> GLY A 244 242 3.2 104.1 121.8 56.0 84.4 4R5F ACC ALA A 247 245 -> ALA A 251 249 3.0 151.8 120.5 20.8 75.5 4R5F DNR GLU A 248 246 -> GLY A 244 242 3.0 153.2 117.2 19.7 58.7 4R5F DNR GLU A 248 246 -> LYS A 245 243 3.1 111.7 118.7 55.7 87.3 4R5F ACC GLU A 248 246 -> ALA A 251 249 3.4 99.9 121.4 57.4 82.9 4R5F ACC GLU A 248 246 -> MET A 252 250 3.3 143.7 115.3 27.3 59.1 4R5F DNR ILE A 249 247 -> LYS A 245 243 3.0 164.2 119.7 10.5 60.6 4R5F ACC ILE A 249 247 -> MET A 252 250 3.1 114.0 127.1 48.8 80.2 4R5F ACC ILE A 249 247 -> GLU A 253 251 3.0 161.9 114.2 37.7 27.3 4R5F DNR THR A 250 248 -> ALA A 246 244 3.0 156.4 125.7 13.1 64.0 4R5F ACC THR A 250 248 -> GLU A 253 251 3.3 103.3 114.6 37.7 87.7 4R5F ACC THR A 250 248 -> TRP A 254 252 3.0 143.3 130.0 37.9 45.1 4R5F DNR ALA A 251 249 -> ALA A 247 245 3.0 151.8 120.5 20.8 75.5 4R5F DNR ALA A 251 249 -> GLU A 248 246 3.4 99.9 121.4 57.4 82.9 4R5F DNR MET A 252 250 -> GLU A 248 246 3.3 143.7 115.3 27.3 59.1 4R5F DNR MET A 252 250 -> ILE A 249 247 3.1 114.0 127.1 48.8 80.2 4R5F DNR GLU A 253 251 -> ILE A 249 247 3.0 161.9 114.2 37.7 27.3 4R5F DNR GLU A 253 251 -> THR A 250 248 3.3 103.3 114.6 37.7 87.7 4R5F ACC GLU A 253 251 -> GLU A 257 255 3.0 160.7 123.1 17.4 15.8 4R5F DNR TRP A 254 252 -> THR A 250 248 3.0 143.3 130.0 37.9 45.1 4R5F ACC TRP A 254 252 -> ALA A 258 256 3.0 160.4 123.4 2.7 88.4 4R5F ACC ARG A 255 253 -> GLU A 259 257 3.2 149.9 119.4 15.7 68.8 4R5F ACC GLU A 256 254 -> GLU A 259 257 3.4 104.9 119.1 58.6 81.1 4R5F ACC GLU A 256 254 -> ARG A 260 258 3.2 152.1 120.2 17.0 55.7 4R5F DNR GLU A 257 255 -> GLU A 253 251 3.0 160.7 123.1 17.4 15.8 4R5F ACC GLU A 257 255 -> ARG A 260 258 3.1 111.6 120.0 60.0 86.5 4R5F ACC GLU A 257 255 -> LEU A 261 259 3.0 163.0 118.8 12.9 52.6 4R5F DNR ALA A 258 256 -> TRP A 254 252 3.0 160.4 123.4 2.7 88.4 4R5F ACC ALA A 258 256 -> ARG A 262 260 3.0 152.8 124.6 12.8 68.9 4R5F DNR GLU A 259 257 -> ARG A 255 253 3.2 149.9 119.4 15.7 68.8 4R5F DNR GLU A 259 257 -> GLU A 256 254 3.4 104.9 119.1 58.6 81.1 4R5F ACC GLU A 259 257 -> ARG A 263 261 3.0 150.0 117.5 26.8 64.2 4R5F DNR ARG A 260 258 -> GLU A 256 254 3.2 152.1 120.2 17.0 55.7 4R5F DNR ARG A 260 258 -> GLU A 257 255 3.1 111.6 120.0 60.0 86.5 4R5F ACC ARG A 260 258 -> ARG A 263 261 3.1 106.9 125.8 54.3 83.0 4R5F ACC ARG A 260 258 -> LEU A 264 262 3.2 154.4 112.2 10.5 48.5 4R5F DNR LEU A 261 259 -> GLU A 257 255 3.0 163.0 118.8 12.9 52.6 4R5F ACC LEU A 261 259 -> ARG A 265 263 3.0 165.5 122.8 0.9 50.1 4R5F DNR ARG A 262 260 -> ALA A 258 256 3.0 152.8 124.6 12.8 68.9 4R5F ACC ARG A 262 260 -> ASP A 266 264 3.0 153.8 124.2 13.1 87.0 4R5F DNR ARG A 263 261 -> GLU A 259 257 3.0 150.0 117.5 26.8 64.2 4R5F DNR ARG A 263 261 -> ARG A 260 258 3.1 106.9 125.8 54.3 83.0 4R5F ACC ARG A 263 261 -> ARG A 267 265 3.3 144.0 123.8 17.4 63.1 4R5F DNR LEU A 264 262 -> ARG A 260 258 3.2 154.4 112.2 10.5 48.5 4R5F ACC LEU A 264 262 -> ILE A 268 266 3.0 156.5 117.6 21.7 53.4 4R5F DNR ARG A 265 263 -> LEU A 261 259 3.0 165.5 122.8 0.9 50.1 4R5F ACC ARG A 265 263 -> ILE A 268 266 3.1 109.6 123.7 56.6 80.9 4R5F ACC ARG A 265 263 -> ILE A 269 267 3.0 161.7 117.2 8.9 43.5 4R5F DNR ASP A 266 264 -> ARG A 262 260 3.0 153.8 124.2 13.1 87.0 4R5F ACC ASP A 266 264 -> ASP A 270 268 3.0 150.5 129.6 3.8 87.6 4R5F DNR ARG A 267 265 -> ARG A 263 261 3.3 144.0 123.8 17.4 63.1 4R5F ACC ARG A 267 265 -> ASN A 271 269 3.3 142.8 126.3 28.1 71.0 4R5F DNR ILE A 268 266 -> LEU A 264 262 3.0 156.5 117.6 21.7 53.4 4R5F DNR ILE A 268 266 -> ARG A 265 263 3.1 109.6 123.7 56.6 80.9 4R5F ACC ILE A 268 266 -> ASN A 271 269 3.2 113.9 125.4 48.2 75.3 4R5F ACC ILE A 268 266 -> VAL A 272 270 3.0 169.8 126.0 2.9 54.6 4R5F DNR ILE A 269 267 -> ARG A 265 263 3.0 161.7 117.2 8.9 43.5 4R5F ACC ILE A 269 267 -> LEU A 273 271 3.0 154.9 128.5 13.6 75.7 4R5F DNR ASP A 270 268 -> ASP A 266 264 3.0 150.5 129.6 3.8 87.6 4R5F DNR ASN A 271 269 -> ARG A 267 265 3.3 142.8 126.3 28.1 71.0 4R5F DNR ASN A 271 269 -> ILE A 268 266 3.2 113.9 125.4 48.2 75.3 4R5F ACC ASN A 271 269 -> LYS A 274 272 3.1 107.5 135.4 24.6 81.1 4R5F DNR VAL A 272 270 -> ILE A 268 266 3.0 169.8 126.0 2.9 54.6 4R5F ACC VAL A 272 270 -> ILE A 275 273 3.0 123.4 132.9 12.8 68.6 4R5F DNR LEU A 273 271 -> ILE A 269 267 3.0 154.9 128.5 13.6 75.7 4R5F DNR LYS A 274 272 -> ASN A 271 269 3.1 107.5 135.4 24.6 81.1 4R5F DNR ILE A 275 273 -> VAL A 272 270 3.0 123.4 132.9 12.8 68.6 4R5F ACC ILE A 275 273 -> SER A 278 276 3.4 136.8 116.3 55.3 60.0 4R5F ACC GLU A 277 275 -> SER A 297 295 3.2 167.7 113.0 3.8 18.6 4R5F DNR SER A 278 276 -> ILE A 275 273 3.4 136.8 116.3 55.3 60.0 4R5F DNR TYR A 279 277 -> ARG A 295 293 3.0 160.5 112.2 25.2 22.7 4R5F ACC TYR A 279 277 -> ARG A 295 293 3.0 158.6 110.2 5.0 26.3 4R5F DNR ASN A 281 279 -> ASN A 293 291 3.0 157.6 123.4 6.2 67.3 4R5F ACC GLU A 285 283 -> ARG A 287 285 3.0 91.7 96.1 37.4 45.5 4R5F ACC LYS A 286 284 -> ILE A 154 152 3.0 134.7 116.1 8.6 66.6 4R5F DNR ARG A 287 285 -> GLU A 285 283 3.0 91.7 96.1 37.4 45.5 4R5F DNR LEU A 288 286 -> GLY A 152 150 3.0 142.4 111.5 5.5 39.3 4R5F ACC LEU A 288 286 -> ASN A 291 289 3.5 119.8 123.2 22.6 79.2 4R5F ACC ASN A 290 288 -> LEU A 350 340 3.0 143.8 110.0 6.6 18.2 4R5F DNR ASN A 291 289 -> LEU A 288 286 3.5 119.8 123.2 22.6 79.2 4R5F DNR VAL A 292 290 -> LEU A 348 338 3.0 167.5 126.4 17.0 16.9 4R5F ACC VAL A 292 290 -> LEU A 348 338 3.0 165.6 120.6 11.6 24.1 4R5F ACC ASN A 293 291 -> ASN A 281 279 3.0 157.6 123.4 6.2 67.3 4R5F DNR VAL A 294 292 -> LEU A 346 336 3.0 160.4 113.4 7.1 30.6 4R5F ACC VAL A 294 292 -> LEU A 346 336 3.0 165.9 119.5 5.1 83.5 4R5F DNR ARG A 295 293 -> TYR A 279 277 3.0 158.6 110.2 5.0 26.3 4R5F ACC ARG A 295 293 -> TYR A 279 277 3.0 160.5 112.2 25.2 22.7 4R5F DNR PHE A 296 294 -> GLY A 344 334 3.0 136.3 102.8 18.9 55.1 4R5F DNR SER A 297 295 -> GLU A 277 275 3.2 167.7 113.0 3.8 18.6 4R5F ACC GLU A 300 298 -> SER A 303 301 3.2 116.6 121.6 49.0 83.2 4R5F ACC GLU A 300 298 -> ILE A 304 302 3.3 155.2 112.8 18.7 30.1 4R5F DNR GLY A 301 299 -> HIS A 343 333 3.0 150.7 123.9 3.8 8.0 4R5F ACC GLY A 301 299 -> ILE A 304 302 3.0 114.1 124.5 56.1 84.6 4R5F ACC GLY A 301 299 -> VAL A 305 303 3.0 162.2 116.4 10.1 34.8 4R5F ACC GLU A 302 300 -> LEU A 306 304 3.0 150.9 119.0 22.8 57.2 4R5F DNR SER A 303 301 -> GLU A 300 298 3.2 116.6 121.6 49.0 83.2 4R5F ACC SER A 303 301 -> SER A 307 305 3.0 143.9 127.1 6.9 84.1 4R5F DNR ILE A 304 302 -> GLU A 300 298 3.3 155.2 112.8 18.7 30.1 4R5F DNR ILE A 304 302 -> GLY A 301 299 3.0 114.1 124.5 56.1 84.6 4R5F ACC ILE A 304 302 -> LEU A 308 306 3.0 163.8 120.7 16.1 59.9 4R5F DNR VAL A 305 303 -> GLY A 301 299 3.0 162.2 116.4 10.1 34.8 4R5F ACC VAL A 305 303 -> ASP A 309 307 3.0 149.9 123.2 13.7 70.9 4R5F DNR LEU A 306 304 -> GLU A 302 300 3.0 150.9 119.0 22.8 57.2 4R5F ACC LEU A 306 304 -> MET A 310 308 3.0 162.0 117.0 14.9 48.0 4R5F DNR SER A 307 305 -> SER A 303 301 3.0 143.9 127.1 6.9 84.1 4R5F ACC SER A 307 305 -> ALA A 311 309 3.2 146.6 111.0 29.1 53.9 4R5F DNR LEU A 308 306 -> ILE A 304 302 3.0 163.8 120.7 16.1 59.9 4R5F ACC LEU A 308 306 -> ALA A 311 309 3.0 111.6 130.2 48.7 83.6 4R5F ACC LEU A 308 306 -> GLY A 312 310 3.0 152.7 91.4 56.8 31.2 4R5F ACC LEU A 308 306 -> ILE A 313 311 3.0 133.8 129.7 17.7 68.9 4R5F DNR ASP A 309 307 -> VAL A 305 303 3.0 149.9 123.2 13.7 70.9 4R5F ACC ASP A 309 307 -> GLY A 312 310 3.0 113.9 135.0 7.2 89.0 4R5F DNR MET A 310 308 -> LEU A 306 304 3.0 162.0 117.0 14.9 48.0 4R5F DNR ALA A 311 309 -> SER A 307 305 3.2 146.6 111.0 29.1 53.9 4R5F DNR ALA A 311 309 -> LEU A 308 306 3.0 111.6 130.2 48.7 83.6 4R5F DNR GLY A 312 310 -> LEU A 308 306 3.0 152.7 91.4 56.8 31.2 4R5F DNR GLY A 312 310 -> ASP A 309 307 3.0 113.9 135.0 7.2 89.0 4R5F DNR ILE A 313 311 -> LEU A 308 306 3.0 133.8 129.7 17.7 68.9 4R5F DNR GLN A 314 312 -> ALA A 2 0 3.0 151.1 106.5 10.9 65.1 4R5F ACC GLN A 314 312 -> PHE A 4 2 3.0 155.7 141.0 2.7 23.5 4R5F DNR SER A 316 314 -> LEU A 347 337 3.1 152.3 122.3 27.7 22.5 4R5F ACC SER A 316 314 -> LEU A 347 337 3.0 140.5 124.3 9.0 85.6 4R5F ACC SER A 329 319 -> MET A 333 323 3.1 156.9 123.3 14.6 62.2 4R5F ACC HIS A 330 320 -> ALA A 334 324 3.0 142.1 126.2 27.9 74.4 4R5F ACC VAL A 331 321 -> ALA A 334 324 3.1 106.2 123.2 58.4 84.9 4R5F ACC VAL A 331 321 -> CYS A 335 325 3.1 154.4 111.8 19.8 50.6 4R5F ACC LEU A 332 322 -> CYS A 335 325 3.3 102.7 122.8 57.5 86.9 4R5F ACC LEU A 332 322 -> GLY A 336 326 3.3 143.4 100.6 48.4 55.5 4R5F ACC LEU A 332 322 -> LEU A 337 327 3.1 152.5 131.2 12.7 52.6 4R5F DNR MET A 333 323 -> SER A 329 319 3.1 156.9 123.3 14.6 62.2 4R5F ACC MET A 333 323 -> GLY A 336 326 3.0 110.8 139.8 19.2 82.6 4R5F DNR ALA A 334 324 -> HIS A 330 320 3.0 142.1 126.2 27.9 74.4 4R5F DNR ALA A 334 324 -> VAL A 331 321 3.1 106.2 123.2 58.4 84.9 4R5F DNR CYS A 335 325 -> VAL A 331 321 3.1 154.4 111.8 19.8 50.6 4R5F DNR CYS A 335 325 -> LEU A 332 322 3.3 102.7 122.8 57.5 86.9 4R5F DNR GLY A 336 326 -> LEU A 332 322 3.3 143.4 100.6 48.4 55.5 4R5F DNR GLY A 336 326 -> MET A 333 323 3.0 110.8 139.8 19.2 82.6 4R5F DNR LEU A 337 327 -> LEU A 332 322 3.1 152.5 131.2 12.7 52.6 4R5F ACC LYS A 338 328 -> GLU A 341 331 3.0 118.9 122.8 47.7 87.7 4R5F ACC LYS A 338 328 -> ALA A 342 332 3.0 171.1 116.0 8.5 37.1 4R5F ACC HIS A 339 329 -> ALA A 342 332 3.2 119.2 116.3 56.9 83.7 4R5F ACC HIS A 339 329 -> HIS A 343 333 3.0 165.2 114.9 29.9 29.9 4R5F DNR GLU A 341 331 -> LYS A 338 328 3.0 118.9 122.8 47.7 87.7 4R5F ACC GLU A 341 331 -> GLY A 344 334 3.2 113.7 130.6 25.4 77.3 4R5F DNR ALA A 342 332 -> LYS A 338 328 3.0 171.1 116.0 8.5 37.1 4R5F DNR ALA A 342 332 -> HIS A 339 329 3.2 119.2 116.3 56.9 83.7 4R5F ACC ALA A 342 332 -> THR A 345 335 3.5 113.2 123.6 42.0 75.2 4R5F DNR HIS A 343 333 -> HIS A 339 329 3.0 165.2 114.9 29.9 29.9 4R5F ACC HIS A 343 333 -> GLY A 301 299 3.0 150.7 123.9 3.8 8.0 4R5F DNR GLY A 344 334 -> GLU A 341 331 3.2 113.7 130.6 25.4 77.3 4R5F ACC GLY A 344 334 -> PHE A 296 294 3.0 136.3 102.8 18.9 55.1 4R5F DNR THR A 345 335 -> ALA A 342 332 3.5 113.2 123.6 42.0 75.2 4R5F DNR LEU A 346 336 -> VAL A 294 292 3.0 165.9 119.5 5.1 83.5 4R5F ACC LEU A 346 336 -> VAL A 294 292 3.0 160.4 113.4 7.1 30.6 4R5F DNR LEU A 347 337 -> SER A 316 314 3.0 140.5 124.3 9.0 85.6 4R5F ACC LEU A 347 337 -> SER A 316 314 3.1 152.3 122.3 27.7 22.5 4R5F DNR LEU A 348 338 -> VAL A 292 290 3.0 165.6 120.6 11.6 24.1 4R5F ACC LEU A 348 338 -> VAL A 292 290 3.0 167.5 126.4 17.0 16.9 4R5F DNR THR A 349 339 -> PHE A 4 2 3.0 120.6 118.5 8.3 74.2 4R5F ACC THR A 349 339 -> TYR A 6 4 3.3 124.1 124.4 7.0 66.0 4R5F DNR LEU A 350 340 -> ASN A 290 288 3.0 143.8 110.0 6.6 18.2 4R5F ACC GLY A 351 341 -> ASN A 354 344 3.0 135.1 125.8 15.1 71.9 4R5F DNR ASN A 354 344 -> GLY A 351 341 3.0 135.1 125.8 15.1 71.9 4R5F ACC THR A 355 345 -> ASP A 358 348 3.1 111.0 122.3 56.4 88.9 4R5F ACC THR A 355 345 -> VAL A 359 349 3.3 151.0 110.3 14.8 41.0 4R5F ACC ASP A 356 346 -> ASP A 360 350 3.0 156.0 119.1 18.3 48.1 4R5F ACC GLU A 357 347 -> ARG A 361 351 3.0 155.3 120.8 18.7 75.2 4R5F DNR ASP A 358 348 -> THR A 355 345 3.1 111.0 122.3 56.4 88.9 4R5F ACC ASP A 358 348 -> LEU A 362 352 3.0 160.1 116.7 6.9 47.5 4R5F DNR VAL A 359 349 -> THR A 355 345 3.3 151.0 110.3 14.8 41.0 4R5F ACC VAL A 359 349 -> LEU A 363 353 3.0 154.9 123.6 13.8 76.8 4R5F DNR ASP A 360 350 -> ASP A 356 346 3.0 156.0 119.1 18.3 48.1 4R5F ACC ASP A 360 350 -> GLU A 364 354 3.0 154.2 114.0 38.6 53.3 4R5F DNR ARG A 361 351 -> GLU A 357 347 3.0 155.3 120.8 18.7 75.2 4R5F ACC ARG A 361 351 -> GLU A 364 354 3.1 112.0 126.7 39.6 88.4 4R5F ACC ARG A 361 351 -> VAL A 365 355 3.2 161.4 115.0 28.4 65.8 4R5F DNR LEU A 362 352 -> ASP A 358 348 3.0 160.1 116.7 6.9 47.5 4R5F ACC LEU A 362 352 -> VAL A 365 355 3.2 112.0 123.6 40.6 78.3 4R5F ACC LEU A 362 352 -> LEU A 366 356 3.0 166.7 125.9 10.5 89.0 4R5F DNR LEU A 363 353 -> VAL A 359 349 3.0 154.9 123.6 13.8 76.8 4R5F DNR GLU A 364 354 -> ASP A 360 350 3.0 154.2 114.0 38.6 53.3 4R5F DNR GLU A 364 354 -> ARG A 361 351 3.1 112.0 126.7 39.6 88.4 4R5F DNR VAL A 365 355 -> ARG A 361 351 3.2 161.4 115.0 28.4 65.8 4R5F DNR VAL A 365 355 -> LEU A 362 352 3.2 112.0 123.6 40.6 78.3 4R5F ACC VAL A 365 355 -> GLY A 368 358 3.2 128.5 121.3 50.9 63.5 4R5F ACC VAL A 365 355 -> VAL A 369 359 3.2 156.1 114.7 21.8 15.9 4R5F DNR LEU A 366 356 -> LEU A 362 352 3.0 166.7 125.9 10.5 89.0 4R5F ACC LEU A 366 356 -> VAL A 369 359 3.1 108.5 122.7 55.9 86.1 4R5F ACC LEU A 366 356 -> ILE A 370 360 3.0 161.1 115.9 15.7 65.5 4R5F ACC PRO A 367 357 -> ILE A 370 360 3.3 104.1 120.1 58.1 85.0 4R5F ACC PRO A 367 357 -> GLU A 371 361 3.1 151.2 119.8 21.3 57.6 4R5F DNR GLY A 368 358 -> VAL A 365 355 3.2 128.5 121.3 50.9 63.5 4R5F ACC GLY A 368 358 -> ARG A 372 362 3.0 150.8 120.0 17.7 77.2 4R5F DNR VAL A 369 359 -> VAL A 365 355 3.2 156.1 114.7 21.8 15.9 4R5F DNR VAL A 369 359 -> LEU A 366 356 3.1 108.5 122.7 55.9 86.1 4R5F ACC VAL A 369 359 -> ARG A 372 362 3.4 106.1 115.4 55.8 86.1 4R5F ACC VAL A 369 359 -> LEU A 373 363 3.1 156.1 123.5 8.4 72.2 4R5F DNR ILE A 370 360 -> LEU A 366 356 3.0 161.1 115.9 15.7 65.5 4R5F DNR ILE A 370 360 -> PRO A 367 357 3.3 104.1 120.1 58.1 85.0 4R5F ACC ILE A 370 360 -> ARG A 374 364 3.0 155.9 123.8 21.5 65.8 4R5F DNR GLU A 371 361 -> PRO A 367 357 3.1 151.2 119.8 21.3 57.6 4R5F ACC GLU A 371 361 -> ARG A 374 364 3.3 105.1 123.0 59.0 82.4 4R5F ACC GLU A 371 361 -> SER A 375 365 3.0 155.9 119.1 21.4 58.4 4R5F DNR ARG A 372 362 -> GLY A 368 358 3.0 150.8 120.0 17.7 77.2 4R5F DNR ARG A 372 362 -> VAL A 369 359 3.4 106.1 115.4 55.8 86.1 4R5F ACC ARG A 372 362 -> SER A 375 365 3.0 111.1 122.3 58.4 87.5 4R5F ACC ARG A 372 362 -> MET A 376 366 3.4 152.3 101.9 37.2 48.3 4R5F DNR LEU A 373 363 -> VAL A 369 359 3.1 156.1 123.5 8.4 72.2 4R5F ACC LEU A 373 363 -> MET A 376 366 3.3 102.6 139.1 28.4 77.2 4R5F DNR ARG A 374 364 -> ILE A 370 360 3.0 155.9 123.8 21.5 65.8 4R5F DNR ARG A 374 364 -> GLU A 371 361 3.3 105.1 123.0 59.0 82.4 4R5F ACC ARG A 374 364 -> SER A 377 367 3.0 114.9 126.9 10.6 85.7 4R5F DNR SER A 375 365 -> GLU A 371 361 3.0 155.9 119.1 21.4 58.4 4R5F DNR SER A 375 365 -> ARG A 372 362 3.0 111.1 122.3 58.4 87.5 4R5F DNR MET A 376 366 -> ARG A 372 362 3.4 152.3 101.9 37.2 48.3 4R5F DNR MET A 376 366 -> LEU A 373 363 3.3 102.6 139.1 28.4 77.2 4R5F DNR SER A 377 367 -> ARG A 374 364 3.0 114.9 126.9 10.6 85.7 4R5F