REM -------------------------------------------------------------------- XXXX REM XXXX REM STRIDE: Knowledge-based secondary structure assignment XXXX REM Please cite: D.Frishman & P.Argos, Proteins 23, 566-579, 1995 XXXX REM XXXX REM Residue accessible surface area calculation XXXX REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 XXXX REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted XXXX REM XXXX REM ------------------------ General information ----------------------- XXXX REM XXXX HDR ACTIN-BINDING PROTEIN 10-AUG-98 XXXX XXXX CMP SEVERIN XXXX AUT Y.A.PUIUS, E.V.FEDOROV, L.EICHINGER, M.SULLIVAN, XXXX AUT M.SCHLEICHER, S.C.ALMO XXXX REM XXXX REM -------------------- Secondary structure summary ------------------- XXXX REM XXXX CHN 1svy.pdb1 A XXXX REM XXXX REM . . . . . XXXX SEQ 1 EYKPRLLHISGDKNAKVAEVPLATSSLNSGDCFLLDAGLTIYQFNGSKSS 50 XXXX STR EEEEEETTTTTEEEEE GGG BTTTEEEEETTTEEEEEETTTT XXXX REM XXXX REM . . . . . XXXX SEQ 51 PQEKNKAAEVARAIDAERKGLPKVEVFETDSDIPAEFWKLLGGKGAIAAK 100 XXXX STR HHHHHHHHHHHHHHHHHHTTT EEEEETTTTTT HHHHHHH B XXXX REM XXXX REM XXXX SEQ 101 H 101 XXXX STR XXXX REM XXXX REM XXXX REM XXXX LOC AlphaHelix PRO 208 A ARG 225 A XXXX LOC AlphaHelix ALA 243 A LEU 249 A XXXX LOC 310Helix THR 181 A SER 183 A XXXX LOC Strand ARG 162 A SER 167 A XXXX LOC Strand LYS 173 A VAL 177 A XXXX LOC Strand CYS 189 A ASP 193 A XXXX LOC Strand THR 197 A ASN 202 A XXXX LOC Strand LYS 230 A PHE 234 A XXXX LOC TurnII' GLY 168 A ASN 171 A XXXX LOC TurnIV ASP 169 A ALA 172 A XXXX LOC TurnI ASN 185 A ASP 188 A XXXX LOC TurnIV ALA 194 A THR 197 A XXXX LOC TurnVIII GLY 195 A ILE 198 A XXXX LOC TurnI GLY 203 A SER 206 A XXXX LOC TurnI' ARG 225 A LEU 228 A XXXX LOC TurnIV PHE 234 A ASP 238 A XXXX LOC TurnIV ASP 238 A ILE 241 A XXXX REM XXXX REM --------------- Detailed secondary structure assignment------------- XXXX REM XXXX REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| XXXX ASG GLU A 158 1 C Coil 360.00 137.37 166.4 XXXX ASG TYR A 159 2 C Coil -97.57 20.71 137.0 XXXX ASG LYS A 160 3 C Coil -86.01 119.08 157.5 XXXX ASG PRO A 161 4 C Coil -55.78 140.72 39.2 XXXX ASG ARG A 162 5 E Strand -142.75 156.28 80.6 XXXX ASG LEU A 163 6 E Strand -116.57 126.81 0.0 XXXX ASG LEU A 164 7 E Strand -108.56 140.15 12.6 XXXX ASG HIS A 165 8 E Strand -112.91 120.73 8.4 XXXX ASG ILE A 166 9 E Strand -105.92 113.92 0.0 XXXX ASG SER A 167 10 E Strand -135.47 179.41 40.5 XXXX ASG GLY A 168 11 T Turn 118.47 -7.04 36.2 XXXX ASG ASP A 169 12 T Turn 58.63 -105.09 92.9 XXXX ASG LYS A 170 13 T Turn -81.15 -14.13 143.0 XXXX ASG ASN A 171 14 T Turn -118.22 72.49 134.5 XXXX ASG ALA A 172 15 T Turn -61.05 132.38 19.6 XXXX ASG LYS A 173 16 E Strand -134.27 151.60 146.7 XXXX ASG VAL A 174 17 E Strand -122.29 142.62 53.4 XXXX ASG ALA A 175 18 E Strand -157.12 145.51 57.7 XXXX ASG GLU A 176 19 E Strand -69.28 144.38 124.1 XXXX ASG VAL A 177 20 E Strand -136.04 167.51 28.1 XXXX ASG PRO A 178 21 C Coil -59.41 134.69 97.0 XXXX ASG LEU A 179 22 C Coil -73.95 94.73 62.7 XXXX ASG ALA A 180 23 C Coil -164.21 151.14 24.9 XXXX ASG THR A 181 24 G 310Helix -60.41 -34.38 14.2 XXXX ASG SER A 182 25 G 310Helix -69.01 -4.91 109.9 XXXX ASG SER A 183 26 G 310Helix -87.79 -15.77 21.3 XXXX ASG LEU A 184 27 C Coil -78.70 160.25 2.9 XXXX ASG ASN A 185 28 B Bridge -155.20 150.40 2.0 XXXX ASG SER A 186 29 T Turn -68.47 -12.76 16.8 XXXX ASG GLY A 187 30 T Turn -94.99 -9.54 16.9 XXXX ASG ASP A 188 31 T Turn -119.29 -169.66 20.8 XXXX ASG CYS A 189 32 E Strand -122.97 151.89 0.0 XXXX ASG PHE A 190 33 E Strand -139.57 152.44 0.0 XXXX ASG LEU A 191 34 E Strand -123.71 114.34 0.0 XXXX ASG LEU A 192 35 E Strand -93.33 102.68 0.0 XXXX ASG ASP A 193 36 E Strand -88.59 103.56 0.4 XXXX ASG ALA A 194 37 T Turn -101.12 10.87 21.2 XXXX ASG GLY A 195 38 T Turn 99.77 -83.92 0.3 XXXX ASG LEU A 196 39 T Turn -84.39 -14.26 96.9 XXXX ASG THR A 197 40 E Strand -135.77 135.32 33.0 XXXX ASG ILE A 198 41 E Strand -117.59 122.08 0.0 XXXX ASG TYR A 199 42 E Strand -102.87 122.00 17.4 XXXX ASG GLN A 200 43 E Strand -104.81 117.16 8.6 XXXX ASG PHE A 201 44 E Strand -104.84 118.99 0.8 XXXX ASG ASN A 202 45 E Strand -98.38 114.22 27.7 XXXX ASG GLY A 203 46 T Turn -58.93 148.74 1.7 XXXX ASG SER A 204 47 T Turn -61.89 -28.27 50.3 XXXX ASG LYS A 205 48 T Turn -102.86 11.55 156.8 XXXX ASG SER A 206 49 T Turn -68.33 156.41 11.2 XXXX ASG SER A 207 50 C Coil -92.35 162.35 6.6 XXXX ASG PRO A 208 51 H AlphaHelix -60.34 -38.00 86.1 XXXX ASG GLN A 209 52 H AlphaHelix -62.90 -39.24 65.6 XXXX ASG GLU A 210 53 H AlphaHelix -67.96 -42.11 3.0 XXXX ASG LYS A 211 54 H AlphaHelix -62.35 -43.94 68.4 XXXX ASG ASN A 212 55 H AlphaHelix -63.02 -42.05 109.2 XXXX ASG LYS A 213 56 H AlphaHelix -63.41 -47.15 52.9 XXXX ASG ALA A 214 57 H AlphaHelix -57.15 -45.31 0.0 XXXX ASG ALA A 215 58 H AlphaHelix -62.90 -39.16 19.1 XXXX ASG GLU A 216 59 H AlphaHelix -64.80 -42.18 97.5 XXXX ASG VAL A 217 60 H AlphaHelix -66.42 -41.97 22.6 XXXX ASG ALA A 218 61 H AlphaHelix -60.34 -43.36 3.2 XXXX ASG ARG A 219 62 H AlphaHelix -65.83 -37.66 158.5 XXXX ASG ALA A 220 63 H AlphaHelix -65.74 -41.23 54.4 XXXX ASG ILE A 221 64 H AlphaHelix -64.86 -46.58 13.3 XXXX ASG ASP A 222 65 H AlphaHelix -57.61 -43.83 43.1 XXXX ASG ALA A 223 66 H AlphaHelix -61.62 -49.41 58.1 XXXX ASG GLU A 224 67 H AlphaHelix -57.95 -33.86 167.6 XXXX ASG ARG A 225 68 H AlphaHelix -92.66 27.47 46.3 XXXX ASG LYS A 226 69 T Turn 46.43 37.30 183.2 XXXX ASG GLY A 227 70 T Turn 76.71 0.30 42.8 XXXX ASG LEU A 228 71 T Turn -62.19 -41.69 106.7 XXXX ASG PRO A 229 72 C Coil -63.99 152.24 8.3 XXXX ASG LYS A 230 73 E Strand -100.63 138.52 146.5 XXXX ASG VAL A 231 74 E Strand -114.59 127.98 64.5 XXXX ASG GLU A 232 75 E Strand -116.14 134.47 88.8 XXXX ASG VAL A 233 76 E Strand -125.95 136.27 82.1 XXXX ASG PHE A 234 77 E Strand -155.12 360.00 13.6 XXXX ASG GLU A 236 78 T Turn 360.00 -36.68 45.4 XXXX ASG THR A 237 79 T Turn -88.79 3.30 116.6 XXXX ASG ASP A 238 80 T Turn -59.44 145.80 77.6 XXXX ASG SER A 239 81 T Turn -89.94 -7.37 128.6 XXXX ASG ASP A 240 82 T Turn -122.04 36.64 120.3 XXXX ASG ILE A 241 83 T Turn -66.80 132.29 23.4 XXXX ASG PRO A 242 84 C Coil -61.21 135.62 31.1 XXXX ASG ALA A 243 85 H AlphaHelix -56.73 -33.81 79.7 XXXX ASG GLU A 244 86 H AlphaHelix -61.40 -29.00 77.5 XXXX ASG PHE A 245 87 H AlphaHelix -62.22 -50.87 0.0 XXXX ASG TRP A 246 88 H AlphaHelix -66.13 -38.69 21.0 XXXX ASG LYS A 247 89 H AlphaHelix -58.62 -47.36 150.8 XXXX ASG LEU A 248 90 H AlphaHelix -65.07 -26.13 45.7 XXXX ASG LEU A 249 91 H AlphaHelix -85.30 1.73 6.5 XXXX ASG GLY A 250 92 C Coil 92.25 5.84 73.4 XXXX ASG GLY A 251 93 C Coil 123.74 140.91 32.4 XXXX ASG LYS A 252 94 C Coil -69.99 139.59 137.1 XXXX ASG GLY A 253 95 C Coil -164.17 178.70 33.9 XXXX ASG ALA A 254 96 C Coil -67.21 134.16 106.6 XXXX ASG ILE A 255 97 C Coil -92.40 138.33 33.8 XXXX ASG ALA A 256 98 B Bridge -66.18 145.19 52.0 XXXX ASG ALA A 257 99 C Coil -66.32 -30.38 53.5 XXXX ASG LYS A 258 100 C Coil -144.62 162.97 160.9 XXXX ASG HIS A 259 101 C Coil -80.63 360.00 167.0 XXXX REM XXXX REM ------------------ Mainchain hydrogen bonds ------------------------ XXXX REM XXXX REM Definition of Stickle et al., J.Mol.Biol. 226:1143-1159, 1992 XXXX REM A1 is the angle between the planes of donor complex and O..N-C XXXX REM A2 is the angle between the planes of acceptor complex and N..O=C XXXX REM XXXX HBT 65 XXXX HBI 0 XXXX HBC 65 1svy.pdb1 A 101 XXXX REM XXXX REM |--Residue 1--| |--Residue 2--| N-O N..O=C O..N-C A1 A2 XXXX DNR ARG A 162 4 -> ASP A 193 35 3.0 146.3 106.1 11.6 58.4 XXXX ACC ARG A 162 4 -> ASP A 193 35 3.0 167.9 117.0 31.4 74.6 XXXX ACC LEU A 163 5 -> VAL A 177 19 3.0 160.1 111.8 8.5 83.3 XXXX DNR LEU A 164 6 -> LEU A 191 33 3.0 150.2 117.0 8.2 45.1 XXXX ACC LEU A 164 6 -> LEU A 191 33 3.0 141.8 105.3 1.0 35.9 XXXX DNR HIS A 165 7 -> ALA A 175 17 3.0 149.8 122.9 10.7 72.6 XXXX ACC HIS A 165 7 -> ALA A 175 17 3.0 142.1 104.6 21.2 49.3 XXXX DNR ILE A 166 8 -> CYS A 189 31 3.0 155.1 130.2 3.8 89.4 XXXX ACC ILE A 166 8 -> CYS A 189 31 3.1 152.9 121.2 0.8 2.1 XXXX DNR SER A 167 9 -> LYS A 173 15 3.0 162.2 104.4 13.3 14.9 XXXX ACC SER A 167 9 -> LYS A 173 15 3.0 169.7 109.7 14.7 25.8 XXXX ACC GLY A 168 10 -> ASN A 171 13 3.0 120.2 125.8 9.2 85.7 XXXX DNR ASN A 171 13 -> GLY A 168 10 3.0 120.2 125.8 9.2 85.7 XXXX DNR LYS A 173 15 -> SER A 167 9 3.0 169.7 109.7 14.7 25.8 XXXX ACC LYS A 173 15 -> SER A 167 9 3.0 162.2 104.4 13.3 14.9 XXXX DNR ALA A 175 17 -> HIS A 165 7 3.0 142.1 104.6 21.2 49.3 XXXX ACC ALA A 175 17 -> HIS A 165 7 3.0 149.8 122.9 10.7 72.6 XXXX DNR VAL A 177 19 -> LEU A 163 5 3.0 160.1 111.8 8.5 83.3 XXXX ACC ALA A 180 22 -> SER A 183 25 3.0 116.7 133.8 0.1 78.9 XXXX DNR THR A 181 23 -> LEU A 249 90 3.0 133.1 109.3 29.9 16.9 XXXX ACC THR A 181 23 -> LEU A 184 26 3.0 123.7 131.1 9.8 73.7 XXXX DNR SER A 183 25 -> ALA A 180 22 3.0 116.7 133.8 0.1 78.9 XXXX DNR LEU A 184 26 -> THR A 181 23 3.0 123.7 131.1 9.8 73.7 XXXX DNR SER A 186 28 -> ALA A 256 97 3.0 168.7 105.3 7.4 3.5 XXXX ACC SER A 186 28 -> LYS A 205 47 3.0 159.5 131.4 7.7 72.2 XXXX ACC ASP A 188 30 -> GLY A 203 45 3.0 161.0 149.7 6.0 47.9 XXXX DNR CYS A 189 31 -> ILE A 166 8 3.1 152.9 121.2 0.8 2.1 XXXX ACC CYS A 189 31 -> ILE A 166 8 3.0 155.1 130.2 3.8 89.4 XXXX DNR PHE A 190 32 -> PHE A 201 43 3.0 155.2 110.2 11.3 13.5 XXXX ACC PHE A 190 32 -> PHE A 201 43 3.0 153.2 113.6 13.6 58.2 XXXX DNR LEU A 191 33 -> LEU A 164 6 3.0 141.8 105.3 1.0 35.9 XXXX ACC LEU A 191 33 -> LEU A 164 6 3.0 150.2 117.0 8.2 45.1 XXXX DNR LEU A 192 34 -> TYR A 199 41 3.0 152.7 111.2 10.4 15.4 XXXX ACC LEU A 192 34 -> TYR A 199 41 3.0 143.1 117.6 2.4 57.6 XXXX DNR ASP A 193 35 -> ARG A 162 4 3.0 167.9 117.0 31.4 74.6 XXXX ACC ASP A 193 35 -> ARG A 162 4 3.0 146.3 106.1 11.6 58.4 XXXX DNR ALA A 194 36 -> THR A 197 39 3.0 168.1 138.9 13.8 47.9 XXXX ACC LEU A 196 38 -> LYS A 230 72 3.0 144.2 106.4 6.9 52.5 XXXX ACC THR A 197 39 -> ALA A 194 36 3.0 168.1 138.9 13.8 47.9 XXXX DNR ILE A 198 40 -> LYS A 230 72 3.0 167.9 108.7 2.8 27.7 XXXX ACC ILE A 198 40 -> GLU A 232 74 3.0 165.4 112.8 2.8 51.5 XXXX DNR TYR A 199 41 -> LEU A 192 34 3.0 143.1 117.6 2.4 57.6 XXXX ACC TYR A 199 41 -> LEU A 192 34 3.0 152.7 111.2 10.4 15.4 XXXX DNR GLN A 200 42 -> GLU A 232 74 3.0 165.8 119.5 5.8 45.1 XXXX ACC GLN A 200 42 -> PHE A 234 76 3.0 175.6 112.4 15.6 67.9 XXXX DNR PHE A 201 43 -> PHE A 190 32 3.0 153.2 113.6 13.6 58.2 XXXX ACC PHE A 201 43 -> PHE A 190 32 3.0 155.2 110.2 11.3 13.5 XXXX DNR ASN A 202 44 -> PHE A 234 76 3.0 161.5 116.8 8.8 25.1 XXXX DNR GLY A 203 45 -> ASP A 188 30 3.0 161.0 149.7 6.0 47.9 XXXX ACC GLY A 203 45 -> SER A 206 48 3.1 109.7 131.2 3.9 88.6 XXXX DNR LYS A 205 47 -> SER A 186 28 3.0 159.5 131.4 7.7 72.2 XXXX DNR SER A 206 48 -> GLY A 203 45 3.1 109.7 131.2 3.9 88.6 XXXX ACC SER A 207 49 -> GLU A 210 52 3.1 108.5 124.0 54.8 84.0 XXXX ACC SER A 207 49 -> LYS A 211 53 3.0 157.9 114.5 14.6 45.7 XXXX ACC PRO A 208 50 -> ASN A 212 54 3.0 155.4 122.8 12.3 68.9 XXXX ACC GLN A 209 51 -> LYS A 213 55 3.0 150.0 123.3 21.7 64.6 XXXX DNR GLU A 210 52 -> SER A 207 49 3.1 108.5 124.0 54.8 84.0 XXXX ACC GLU A 210 52 -> ALA A 214 56 3.0 156.1 121.6 7.6 74.3 XXXX DNR LYS A 211 53 -> SER A 207 49 3.0 157.9 114.5 14.6 45.7 XXXX ACC LYS A 211 53 -> ALA A 215 57 3.0 154.7 122.3 14.1 61.0 XXXX DNR ASN A 212 54 -> PRO A 208 50 3.0 155.4 122.8 12.3 68.9 XXXX ACC ASN A 212 54 -> GLU A 216 58 3.0 154.2 121.3 22.8 63.0 XXXX DNR LYS A 213 55 -> GLN A 209 51 3.0 150.0 123.3 21.7 64.6 XXXX ACC LYS A 213 55 -> GLU A 216 58 3.1 108.2 120.9 59.1 87.4 XXXX ACC LYS A 213 55 -> VAL A 217 59 3.0 162.5 115.9 15.1 61.5 XXXX DNR ALA A 214 56 -> GLU A 210 52 3.0 156.1 121.6 7.6 74.3 XXXX ACC ALA A 214 56 -> VAL A 217 59 3.3 107.0 118.5 58.1 85.6 XXXX ACC ALA A 214 56 -> ALA A 218 60 3.0 157.3 122.0 13.4 60.2 XXXX DNR ALA A 215 57 -> LYS A 211 53 3.0 154.7 122.3 14.1 61.0 XXXX ACC ALA A 215 57 -> ARG A 219 61 3.0 153.9 119.5 17.7 66.7 XXXX DNR GLU A 216 58 -> ASN A 212 54 3.0 154.2 121.3 22.8 63.0 XXXX DNR GLU A 216 58 -> LYS A 213 55 3.1 108.2 120.9 59.1 87.4 XXXX ACC GLU A 216 58 -> ARG A 219 61 3.4 102.2 119.1 59.9 84.6 XXXX ACC GLU A 216 58 -> ALA A 220 62 3.0 149.9 121.1 22.6 61.5 XXXX DNR VAL A 217 59 -> LYS A 213 55 3.0 162.5 115.9 15.1 61.5 XXXX DNR VAL A 217 59 -> ALA A 214 56 3.3 107.0 118.5 58.1 85.6 XXXX ACC VAL A 217 59 -> ALA A 220 62 3.2 107.7 121.4 58.9 86.2 XXXX ACC VAL A 217 59 -> ILE A 221 63 3.0 159.6 117.8 16.8 59.3 XXXX DNR ALA A 218 60 -> ALA A 214 56 3.0 157.3 122.0 13.4 60.2 XXXX ACC ALA A 218 60 -> ILE A 221 63 3.3 104.3 119.1 60.0 85.7 XXXX ACC ALA A 218 60 -> ASP A 222 64 3.0 154.6 124.5 10.0 64.2 XXXX DNR ARG A 219 61 -> ALA A 215 57 3.0 153.9 119.5 17.7 66.7 XXXX DNR ARG A 219 61 -> GLU A 216 58 3.4 102.2 119.1 59.9 84.6 XXXX ACC ARG A 219 61 -> ALA A 223 65 3.0 153.5 121.3 18.7 67.8 XXXX DNR ALA A 220 62 -> GLU A 216 58 3.0 149.9 121.1 22.6 61.5 XXXX DNR ALA A 220 62 -> VAL A 217 59 3.2 107.7 121.4 58.9 86.2 XXXX ACC ALA A 220 62 -> GLU A 224 66 3.0 151.8 121.4 8.2 72.0 XXXX DNR ILE A 221 63 -> VAL A 217 59 3.0 159.6 117.8 16.8 59.3 XXXX DNR ILE A 221 63 -> ALA A 218 60 3.3 104.3 119.1 60.0 85.7 XXXX ACC ILE A 221 63 -> ARG A 225 67 3.0 156.7 118.2 26.5 53.7 XXXX DNR ASP A 222 64 -> ALA A 218 60 3.0 154.6 124.5 10.0 64.2 XXXX ACC ASP A 222 64 -> ARG A 225 67 3.1 105.5 128.2 55.8 81.3 XXXX ACC ASP A 222 64 -> GLY A 227 69 3.0 147.8 128.2 2.9 90.0 XXXX DNR ALA A 223 65 -> ARG A 219 61 3.0 153.5 121.3 18.7 67.8 XXXX ACC ALA A 223 65 -> LYS A 226 68 3.0 117.2 132.1 29.7 84.3 XXXX DNR GLU A 224 66 -> ALA A 220 62 3.0 151.8 121.4 8.2 72.0 XXXX DNR ARG A 225 67 -> ILE A 221 63 3.0 156.7 118.2 26.5 53.7 XXXX DNR ARG A 225 67 -> ASP A 222 64 3.1 105.5 128.2 55.8 81.3 XXXX ACC ARG A 225 67 -> LEU A 228 70 3.0 136.6 126.5 7.7 65.9 XXXX DNR LYS A 226 68 -> ALA A 223 65 3.0 117.2 132.1 29.7 84.3 XXXX DNR GLY A 227 69 -> ASP A 222 64 3.0 147.8 128.2 2.9 90.0 XXXX DNR LEU A 228 70 -> ARG A 225 67 3.0 136.6 126.5 7.7 65.9 XXXX DNR LYS A 230 72 -> LEU A 196 38 3.0 144.2 106.4 6.9 52.5 XXXX ACC LYS A 230 72 -> ILE A 198 40 3.0 167.9 108.7 2.8 27.7 XXXX DNR GLU A 232 74 -> ILE A 198 40 3.0 165.4 112.8 2.8 51.5 XXXX ACC GLU A 232 74 -> GLN A 200 42 3.0 165.8 119.5 5.8 45.1 XXXX DNR PHE A 234 76 -> GLN A 200 42 3.0 175.6 112.4 15.6 67.9 XXXX ACC PHE A 234 76 -> ASN A 202 44 3.0 161.5 116.8 8.8 25.1 XXXX ACC PRO A 242 83 -> PHE A 245 86 3.0 123.5 128.8 29.6 75.7 XXXX ACC ALA A 243 84 -> TRP A 246 87 3.1 118.1 116.3 59.2 82.6 XXXX ACC ALA A 243 84 -> LYS A 247 88 3.0 160.5 119.0 14.9 17.1 XXXX ACC GLU A 244 85 -> LEU A 248 89 3.0 149.7 122.1 10.9 88.7 XXXX DNR PHE A 245 86 -> PRO A 242 83 3.0 123.5 128.8 29.6 75.7 XXXX ACC PHE A 245 86 -> LEU A 248 89 3.4 107.4 116.9 59.0 82.0 XXXX ACC PHE A 245 86 -> LEU A 249 90 3.2 149.7 115.4 34.9 49.2 XXXX DNR TRP A 246 87 -> ALA A 243 84 3.1 118.1 116.3 59.2 82.6 XXXX ACC TRP A 246 87 -> LEU A 249 90 3.1 108.9 128.8 45.9 84.6 XXXX ACC TRP A 246 87 -> GLY A 250 91 3.2 154.4 95.1 57.2 53.8 XXXX ACC TRP A 246 87 -> GLY A 251 92 3.0 147.4 135.1 20.2 81.0 XXXX DNR LYS A 247 88 -> ALA A 243 84 3.0 160.5 119.0 14.9 17.1 XXXX ACC LYS A 247 88 -> GLY A 250 91 3.0 114.0 137.3 2.0 78.8 XXXX DNR LEU A 248 89 -> GLU A 244 85 3.0 149.7 122.1 10.9 88.7 XXXX DNR LEU A 248 89 -> PHE A 245 86 3.4 107.4 116.9 59.0 82.0 XXXX DNR LEU A 249 90 -> PHE A 245 86 3.2 149.7 115.4 34.9 49.2 XXXX DNR LEU A 249 90 -> TRP A 246 87 3.1 108.9 128.8 45.9 84.6 XXXX ACC LEU A 249 90 -> THR A 181 23 3.0 133.1 109.3 29.9 16.9 XXXX DNR GLY A 250 91 -> TRP A 246 87 3.2 154.4 95.1 57.2 53.8 XXXX DNR GLY A 250 91 -> LYS A 247 88 3.0 114.0 137.3 2.0 78.8 XXXX DNR GLY A 251 92 -> TRP A 246 87 3.0 147.4 135.1 20.2 81.0 XXXX ACC ALA A 256 97 -> SER A 186 28 3.0 168.7 105.3 7.4 3.5 XXXX