***************** FILE 3D_ALI - sequence alignment based on 3D superposition **************** FT file: inhibit.3D_ALI DT created at EMBL Sat Aug 3 22:19:29 1991 NS 4 FN 1tgs chain: I; Range(PDB): 1 - 56 resolution: 1.8 angstroms. FN 3sgb chain: I; Range(PDB): 7 - 56 resolution: 1.8 angstroms. FN 2ovo chain: -; Range(PDB): 1 - 56 resolution: 1.5 angstroms. FN 1ovo chain: A; Range(PDB): 1 - 56 resolution: 1.9 angstroms. NA 158 NL 57 DB RELEASE 17.0 OF EMBL/SWISS-PROT WITH 20024 SEQUENCES TH threshold_1 - % identity 0.35 TH threshold_2 - % alignment 0.35 AU This file was generated by the program CHARON AU Stefano Pascarella and Patrick Argos, EMBL, Postfach 10 22 09, 6900 Heidelberg, Germany AU NT The sequence alignments and part of the notation included in this file has been taken from the HSSP files: NT Sander C. and Schneider R. : Database of homology-derived protein structures. Protins, in press. NT Notation: seq_id = sequence identifyer eithr from PDB or from SWISSPROT. NT %ide = percentage of identical residues. NT ifir, ilast = first and last residue of the alignment in the test sequence. NT jfir, jlast = first and last residue of the alignment in the aligned protein. NT lali = length of the alignment excluding insertions and deletions. NT ngap, lgap = number and total length of all insertions and deletions. NT lseq2 = length of the entire sequence of the aligned protein. NT HSP = numeration in the HSSP file. NT PDB = numeration in the PDB file. NT A = aminoacid sequence. NT STRUCT = secondary structure assignment as found in DSSP file. NT PHI, PSI, CHIx = dihedral angles phi, psi and chi1, chi2.... NT ACC = accessibility as found in DSSPfiles. NT Symbols: '-' indicates a gap in the structural alignments. NT '?' indicates a structural gap: the sequence is known but the structure is unresolved. NT ' ' indictes a gap in the sequence alignments. NT pairs of lower case letters in the alignment bracket an insertion in the sequence. EN .............................................................................................................................. seq_id %ide ifir ilas jfir jlas lali ngap lgap lseq -> 1. 1tgs 5. IPST$BOVIN 0.85 231 282 5 56 52 0 0 56 PANCREATIC SECRETORY TRYPSIN INHIBITOR. 6. IPST$SHEEP 0.83 231 282 5 56 52 0 0 56 PANCREATIC SECRETORY TRYPSIN INHIBITOR. 7. IPST$HUMAN 0.71 227 282 24 79 56 0 0 79 PANCREATIC SECRETORY TRYPSIN INHIBITOR PRECURSOR (GE 8. PSG1$MOUSE 0.71 231 282 29 80 52 0 0 80 PROSTATIC SECRETORY GLYCOPROTEIN PRECURSOR (P12). 9. IPST$CANFA 0.70 230 282 5 57 53 0 0 57 PANCREATIC SECRETORY TRYPSIN INHIBITOR. 10. IPS2$RAT 0.54 231 282 28 79 52 0 0 79 PANCREATIC SECRETORY TRYPSIN INHIBITOR II PRECURSOR 11. IPS1$RAT 0.52 231 282 28 79 52 0 0 79 PANCREATIC SECRETORY TRYPSIN INHIBITOR I PRECURSOR ( 12. IPST$ANGAN 0.47 236 282 15 61 47 0 0 61 PROBABLE PANCREATIC PROTEINASE INHIBITOR (PSTI TYPE) 13. IAC2$HUMAN 0.42 228 282 6 61 55 1 1 61 ACROSIN-TRYPSIN INHIBITOR (HUSI-II). 14. FSA$PIG 0.47 247 282 129 164 36 0 0 344 FOLLISTATIN A AND A' PRECURSOR (FS). 15. FSA$HUMAN 0.47 247 282 129 164 36 0 0 338 FOLLISTATIN 1 AND 2 PRECURSOR (FS). 16. IELA$ANESU 0.44 242 282 8 48 41 0 0 48 ELASTASE INHIBITOR. 17. IPSG$PANLE 0.39 232 282 61 111 51 0 0 112 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN 18. IPSG$FELCA 0.39 232 282 61 111 51 0 0 111 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN 19. IPSG$VULVU 0.38 231 282 8 64 52 1 5 115 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN 20. IPSG$CANFA 0.37 232 282 65 115 51 0 0 115 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN -> 2. 3sgb 21. IOVO$PAVCR 0.98 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 22. IOVO$LOPCA 0.98 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 23. IOVO$ALECH 0.98 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 24. IOVO$CALSC 0.96 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 25. IOVO$CYRMO 0.96 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 26. IOVO$NUMME 0.96 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 27. IOVO$CHRAM 0.96 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 28. IOVO$OREPI 0.96 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 29. IOVO$COLVI 0.94 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 30. IOVO$BONUM 0.94 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 31. IOVO$CHICK 0.94 187 236 161 210 50 0 0 210 OVOMUCOID PRECURSOR. 32. IOVO$FRAPO 0.94 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 33. IOVO$CALSP 0.94 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 34. IOVO$PERPE 0.94 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 35. IOVO$DENAR 0.94 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 36. IOVO$SYRRE 0.94 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 37. IOVO$LOPIG 0.94 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 38. IOVO$FRAAF 0.92 187 236 4 53 50 0 0 53 OVOMUCOID (FRAGMENT). 39. IOVO$FRAER 0.92 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 40. IOVO$PHACO 0.92 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 41. IOVO$BRACA 0.92 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 42. IOVO$COSCO 0.92 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 43. IOVO$ARBTO 0.92 187 236 4 53 50 0 0 53 OVOMUCOID (FRAGMENT). 44. IOVO$CYGAT 0.92 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 45. IOVO$DENVD 0.92 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 46. IOVO$ANSSE 0.92 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 47. IOVO$CERNO 0.90 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 48. IOVO$DENEY 0.90 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 49. IOVO$ANSAN 0.90 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 50. IOVO$FRACO 0.90 187 236 4 53 50 0 0 53 OVOMUCOID (FRAGMENT). 51. IOVO$ANAPL 0.90 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 52. IOVO$GRUCA 0.88 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 53. IOVO$COTDE 0.88 187 236 3 52 50 0 0 52 OVOMUCOID (FRAGMENT). 54. IOVO$ARGAR 0.88 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 55. IOVO$FRAFR 0.86 187 236 4 53 50 0 0 53 OVOMUCOID (FRAGMENT). 56. IOVO$ANHNO 0.86 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 57. IOVO$DRONO 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 58. IOVO$MAGFR 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 59. IOVO$VULGR 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 60. IOVO$GYPCO 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 61. IOVO$GEOCA 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 62. IOVO$LARRI 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 63. IOVO$DACNO 0.84 187 236 6 55 50 0 0 55 OVOMUCOID (FRAGMENT). 64. IOVO$PHASU 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 65. IOVO$RHEAM 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 66. IOVO$SPHHU 0.84 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 67. IOVO$ABUPI 0.82 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 68. IOVO$CASCA 0.82 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 69. IOVO$TURSY 0.82 187 236 4 53 50 0 0 53 OVOMUCOID (FRAGMENT). 70. IOVO$PENJC 0.82 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 71. IOVO$FULAT 0.82 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 72. IOVO$POLBI 0.82 187 236 4 53 50 0 0 53 OVOMUCOID (FRAGMENT). 73. IOVO$STRCA 0.82 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 74. IOVO$HALIN 0.82 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 75. IOVO$NOTCI 0.81 187 236 4 51 48 1 2 51 OVOMUCOID (FRAGMENT). 76. IOVO$CIRAE 0.80 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 77. IOVO$ORTVE 0.80 187 236 7 56 50 0 0 56 OVOMUCOID (FRAGMENT). 78. IOVO$CARRE 0.80 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 79. IOVO$LEIOC 0.80 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 80. IOVO$NYCNY 0.76 187 236 5 54 50 0 0 54 OVOMUCOID (FRAGMENT). 81. IOVO$EUOEL 0.75 187 236 4 51 48 1 2 51 OVOMUCOID (FRAGMENT). 82. IOV7$CHICK 0.56 187 236 420 471 50 1 2 471 OVOINHIBITOR PRECURSOR. 83. IAC2$BOVIN 0.54 187 234 6 55 48 1 2 57 ACROSIN INHIBITOR II. 84. IPSG$MELME 0.55 193 236 76 119 44 0 0 122 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN 85. IAC1$BOVIN 0.45 193 236 18 61 44 0 0 63 ACROSIN INHIBITOR I. 86. IELA$ANESU 0.46 196 236 8 48 41 0 0 48 ELASTASE INHIBITOR. 87. IOV7$CHICK 0.42 187 236 158 216 50 1 9 471 OVOINHIBITOR PRECURSOR. 88. IOVO$CHICK 0.38 187 236 28 86 50 1 9 210 OVOMUCOID PRECURSOR. -> 3. 2ovo 89. IOVO$CHRAM 0.98 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 90. IOVO$BONUM 0.96 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 91. IOVO$SYRRE 0.96 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 92. IOVO$PAVCR 0.96 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 93. IOVO$LOPIG 0.96 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 94. IOVO$PERPE 0.96 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 95. IOVO$PHACO 0.95 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 96. IOVO$LOPCA 0.95 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 97. IOVO$CHICK 0.95 1 56 155 210 56 0 0 210 OVOMUCOID PRECURSOR. 98. IOVO$FRAER 0.95 2 56 2 56 55 0 0 56 OVOMUCOID (FRAGMENT). 99. IOVO$FRAAF 0.94 4 56 1 53 53 0 0 53 OVOMUCOID (FRAGMENT). 100. IOVO$ARBTO 0.94 4 56 1 53 53 0 0 53 OVOMUCOID (FRAGMENT). 101. IOVO$NUMME 0.94 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 102. IOVO$OREPI 0.93 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 103. IOVO$COLVI 0.93 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 104. IOVO$FRAPO 0.93 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 105. IOVO$CALSC 0.93 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 106. IOVO$CYRMO 0.93 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 107. IOVO$ALECH 0.92 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 108. IOVO$FRACO 0.92 4 56 1 53 53 0 0 53 OVOMUCOID (FRAGMENT). 109. IOVO$CALSP 0.91 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 110. IOVO$COSCO 0.89 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 111. IOVO$CYGAT 0.89 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 112. IOVO$COTDE 0.88 5 56 1 52 52 0 0 52 OVOMUCOID (FRAGMENT). 113. IOVO$BRACA 0.87 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 114. IOVO$ANAPL 0.87 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 115. IOVO$DENAR 0.87 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 116. IOVO$CERNO 0.87 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 117. IOVO$FRAFR 0.87 4 56 1 53 53 0 0 53 OVOMUCOID (FRAGMENT). 118. IOVO$DENVD 0.85 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 119. IOVO$ANSSE 0.85 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 120. IOVO$ANSAN 0.85 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 121. IOVO$TURSY 0.85 4 56 1 53 53 0 0 53 OVOMUCOID (FRAGMENT). 122. IOVO$DENEY 0.83 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 123. IOVO$ANHNO 0.83 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 124. IOVO$ARGAR 0.83 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 125. IOVO$POLBI 0.83 4 56 1 53 53 0 0 53 OVOMUCOID (FRAGMENT). 126. IOVO$GRUCA 0.81 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 127. IOVO$GYPCO 0.82 6 56 4 54 51 0 0 54 OVOMUCOID (FRAGMENT). 128. IOVO$ABUPI 0.80 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 129. IOVO$GEOCA 0.81 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 130. IOVO$MAGFR 0.81 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 131. IOVO$DACNO 0.80 3 56 2 55 54 0 0 55 OVOMUCOID (FRAGMENT). 132. IOVO$HALIN 0.80 6 56 4 54 51 0 0 54 OVOMUCOID (FRAGMENT). 133. IOVO$PENJC 0.79 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 134. IOVO$PHASU 0.79 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 135. IOVO$DRONO 0.79 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 136. IOVO$RHEAM 0.79 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 137. IOVO$VULGR 0.79 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 138. IOVO$LARRI 0.79 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 139. IOVO$CASCA 0.79 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 140. IOVO$NOTCI 0.78 4 56 1 51 51 1 2 51 OVOMUCOID (FRAGMENT). 141. IOVO$CIRAE 0.78 6 56 4 54 51 0 0 54 OVOMUCOID (FRAGMENT). 142. IOVO$ORTVE 0.77 1 56 1 56 56 0 0 56 OVOMUCOID (FRAGMENT). 143. IOVO$SPHHU 0.77 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 144. IOVO$STRCA 0.77 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 145. IOVO$LEIOC 0.76 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 146. IOVO$FULAT 0.76 3 56 1 54 54 0 0 54 OVOMUCOID (FRAGMENT). 147. IOVO$CARRE 0.75 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 148. IOVO$NYCNY 0.75 4 56 2 54 53 0 0 54 OVOMUCOID (FRAGMENT). 149. IOVO$EUOEL 0.73 4 56 1 51 51 1 2 51 OVOMUCOID (FRAGMENT). 150. IPSG$VULVU 0.59 2 56 62 115 54 1 1 115 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN 151. IPSG$CANFA 0.57 2 56 62 115 54 1 1 115 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN 152. IAC2$BOVIN 0.51 2 54 1 55 53 1 2 57 ACROSIN INHIBITOR II. 153. IELA$ANESU 0.49 16 56 8 48 41 0 0 48 ELASTASE INHIBITOR. 154. IOV7$CHICK 0.43 1 56 152 216 56 1 9 471 OVOINHIBITOR PRECURSOR. 155. IAC1$BOVIN 0.45 13 56 18 61 44 0 0 63 ACROSIN INHIBITOR I. 156. IOV7$CHICK 0.38 2 56 88 150 55 1 8 471 OVOINHIBITOR PRECURSOR. 157. IPSG$FELCA 0.38 2 56 2 60 55 1 4 111 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN 158. IOVO$CHICK 0.37 3 56 24 86 54 1 9 210 OVOMUCOID PRECURSOR. 159. IPSG$CANFA 0.37 5 56 9 64 52 1 4 115 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN -> 4. 1ovo 160. IPSG$PANLE 0.38 2 56 2 60 55 1 4 112 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN 161. IAC2$HUMAN 0.38 5 56 10 61 52 0 0 61 ACROSIN-TRYPSIN INHIBITOR (HUSI-II). 162. IPSG$MELME 0.37 5 56 13 68 52 1 4 122 DOUBLE-HEADED PROTEASE INHIBITOR, SUBMANDIBULAR GLAN .............................................................................................................................. #### CC Structure superposition NB 2 blocks NC 3 structures per block 1tgs 3sgb 2ovo HSP PDB A STRUCT PHI PSI ACC |HSP PDB A STRUCT PHI PSI ACC |HSP PDB A STRUCT PHI PSI ACC | |-----------------------------------------|-----------------------------------------|-----------------------------------------| 1. 227 1 T 360.0 142.6 133 | 0 0 --------- 000000 000000 0000 | 0 0 --------- 000000 000000 0000 | 2. 228 1 S + -121.8 89.4 102 | 0 0 --------- 000000 000000 0000 | 1 1 L 360.0 132.2 232 | 3. 229 2 P + -85.7 -155.5 68 | 0 0 --------- 000000 000000 0000 | 2 2 A - -78.7 121.8 68 | 4. 230 3 Q + 116.3 60.3 173 | 0 0 --------- 000000 000000 0000 | 3 3 A S S+ -69.8 -43.6 104 | 5. 231 4 R - 149.3 117.4 102 | 0 0 --------- 000000 000000 0000 | 4 4 V S S+ -130.9 160.5 53 | 6. 232 5 E - -74.2 158.2 151 | 0 0 --------- 000000 000000 0000 | 5 5 S - -155.0 167.4 90 | 7. 233 6 A - -77.8 122.3 19 | 0 0 --------- 000000 000000 0000 | 6 6 V - -121.6 164.7 35 | 8. 234 7 T + -90.2 93.9 116 | 187 7 D 360.0 91.9 140 | 7 7 D + -74.0 94.1 94 | 9. 235 8 C + -118.9 102.7 63 | 188 8 C > + -118.4 43.1 33 | 8 8 C > + -108.2 26.2 30 | 10. 236 10 T + -115.4 73.5 112 | 189 9 S T 3 + -77.1 -35.3 94 | 9 9 S T 3 S+ -63.6 -35.3 93 | 11. 237 11 S - -99.9 136.5 56 | 190 10 E T 3 S+ -79.2 19.8 106 | 10 10 E T 3 S+ -98.6 18.4 149 | 12. 0 0 --------- 000000 000000 0000 | 191 11 Y < + -121.5 165.3 29 | 11 11 Y < + -107.9 157.0 40 | 13. 238 12 E S S+ -90.0 3.3 144 | 192 12 P - -73.1 163.3 93 | 12 12 P + -61.3 154.6 94 | 14. 239 13 V S S- -112.6 157.1 12 | 193 13 K - -121.3 140.8 32 | 13 13 K - -135.1 139.7 84 | 15. 240 14 S S S+ -93.4 48.8 67 | 194 14 P S S+ -68.1 -23.1 104 | 14 14 P S S+ -64.0 -26.2 147 | 16. 241 15 G S S- -161.3 166.5 8 | 195 15 A - -158.2 158.2 2 | 15 15 A - -149.1 163.2 78 | 17. 242 16 C E -I -118.3 148.9 8 | 196 16 C E -S -128.5 146.6 3 | 16 16 C - -130.5 155.0 36 | 18. 243 17 P E -I -61.3 147.2 23 | 197 17 T E -S -69.0 159.2 21 | 17 17 T - -86.9 173.8 96 | 19. 244 18 K + -93.8 44.4 0 | 198 18 L + -116.4 45.6 4 | 18 18 M + -96.0 9.3 187 | 20. 245 19 I - -90.1 143.8 18 | 199 19 E - -83.0 153.0 41 | 19 19 E - -58.2 139.4 85 | 21. 246 20 Y + -95.6 97.4 25 | 200 20 Y B +E -98.6 114.8 41 | 20 20 Y + -99.0 92.8 138 | 22. 247 21 N - -136.3 72.0 64 | 201 21 R - -148.8 93.6 113 | 21 21 R - -129.5 68.9 174 | 23. 248 22 P - -62.2 151.9 4 | 202 22 P - -73.5 152.3 27 | 22 22 P - -66.6 148.2 21 | 24. 249 23 V E -RS -139.3 139.5 5 | 203 23 L E -TU -130.8 154.2 16 | 23 23 L E -AB -135.0 136.7 11 | 25. 250 24 C E -RS -89.8 108.6 2 | 204 24 C E -TU -113.1 118.8 2 | 24 24 C E -AB -102.2 119.2 1 | 26. 251 25 G E > - S -59.5 148.5 0 | 205 25 G E > - U -81.2 163.8 0 | 25 25 G E > - B -75.7 160.7 1 | 27. 252 26 T T 3 S+ -64.8 -15.4 40 | 206 26 S T 3 S+ -68.9 -11.4 56 | 26 26 S T 3 S+ -65.2 -11.3 62 | 28. 253 27 D T 3 S- -76.8 -14.1 66 | 207 27 D T 3 S- -89.6 4.3 72 | 27 27 D T 3 S- -90.2 4.8 74 | 29. 254 28 G S < S+ 94.8 4.9 48 | 208 28 N S < S+ 67.7 20.9 134 | 28 28 N S < S+ 68.4 30.7 129 | 30. 255 29 I - -93.4 137.0 69 | 209 29 K - -101.2 135.5 115 | 29 29 K - -104.5 139.9 121 | 31. 256 30 T E -R -86.6 117.2 28 | 210 30 T E -T -77.0 123.5 45 | 30 30 T E -A -88.0 118.7 61 | 32. 257 31 Y E -R -96.0 125.3 10 | 211 31 Y E -T -95.8 129.4 22 | 31 31 Y E -A -92.0 128.4 36 | 33. 258 32 S S S- -62.9 -17.7 6 | 212 32 G S S- -63.7 -29.4 11 | 32 32 G S S- -58.9 -28.0 26 | 34. 259 33 N S > S- -165.0 167.9 7 | 213 33 N S > S- -161.5 172.7 0 | 33 33 N S > S- -167.6 168.6 1 | 35. 260 34 E H > S+ -64.7 -30.0 39 | 214 34 K H > S+ -63.6 -35.8 95 | 34 34 K H > S+ -58.8 -36.8 81 | 36. 261 35 C H > S+ -69.0 -32.0 29 | 215 35 C H > S+ -65.1 -40.3 13 | 35 35 C H > S+ -70.3 -41.0 17 | 37. 262 36 V H > S+ -70.4 -38.4 24 | 216 36 N H > S+ -64.5 -45.3 44 | 36 36 N H > S+ -61.4 -39.3 70 | 38. 263 37 L H X S+ -64.5 -35.9 0 | 217 37 F H X S+ -56.9 -52.1 15 | 37 37 F H X S+ -61.9 -50.2 5 | 39. 264 38 C H X S+ -61.3 -49.5 15 | 218 38 C H X S+ -60.6 -35.7 0 | 38 38 C H X S+ -73.0 -25.1 0 | 40. 265 39 S H X S+ -68.8 -31.6 40 | 219 39 N H X S+ -61.6 -45.1 39 | 39 39 N H X S+ -61.3 -43.4 28 | 41. 266 40 E H < S+ -67.8 -37.2 64 | 220 40 A H X S+ -65.5 -36.9 17 | 40 40 A H X S+ -69.5 -33.0 17 | 42. 267 41 N H >< S+ -65.0 -40.1 25 | 221 41 V H ><>S+ -60.3 -47.6 24 | 41 41 V H <>S+ -60.0 -45.7 28 | 43. 268 42 K H 3< S+ -68.6 -14.1 165 | 222 42 V H ><5S+ -58.1 -51.3 55 | 42 42 V H ><5S+ -64.4 -50.9 54 | 44. 269 43 K T 3< S+ -102.1 30.5 153 | 223 43 E H 3<5S+ -53.3 -32.5 170 | 43 43 E H 3<5S+ -53.4 -35.0 167 | 45. 270 44 R < - -121.0 144.4 81 | 224 44 S T X<5S- -87.1 -1.0 31 | 44 44 S T ><5S- -86.0 3.3 34 | 46. 271 45 Q S S+ -95.6 19.9 199 | 225 45 N T < 5S- 61.5 38.3 152 | 45 45 N T < 5S- 61.4 33.5 151 | 47. 272 46 T S S- -165.1 104.3 83 | 226 46 G T 3 + -102.1 19.2 0 | 10. 9 9 S T 3 + -60.9 -36.4 20 | 11. 10 10 E T 3 S+ -79.5 3.5 118 | 12. 11 11 Y < + -105.8 163.8 22 | 13. 12 12 P - -73.3 160.0 51 | 14. 13 13 K - -125.3 127.1 75 | 15. 14 14 P S S+ -61.0 -24.3 147 | 16. 15 15 A S S- -128.6 144.6 76 | 17. 16 16 C - -122.4 156.1 34 | 18. 17 17 P - -65.4 155.9 72 | 19. 18 18 K + -100.0 5.8 202 | 20. 19 19 D - -54.1 128.4 88 | 21. 20 20 Y + -98.7 101.4 148 | 22. 21 21 R - -137.1 71.4 177 | 23. 22 22 P - -57.0 144.5 26 | 24. 23 23 V E -BC -126.0 132.9 4 | 25. 24 24 C E -BC -94.4 119.8 1 | 26. 25 25 G E > - C -87.0 166.3 0 | 27. 26 26 S T 3 S+ -76.7 -1.0 47 | 28. 27 27 D T 3 S- -88.5 10.5 54 | 29. 28 28 N S < S+ 49.2 39.3 118 | 30. 29 29 K - -113.6 146.3 133 | 31. 30 30 T E -B -101.3 117.6 62 | 32. 31 31 Y E -B -92.0 133.6 46 | 33. 32 32 S S S- -67.0 -25.2 48 | 34. 33 33 N S > S- -161.4 176.9 6 | 35. 34 34 K H > S+ -59.4 -40.0 83 | 36. 35 35 C H > S+ -65.0 -40.6 3 | 37. 36 36 N H > S+ -69.9 -38.8 55 | 38. 37 37 F H X S+ -62.6 -49.9 0 | 39. 38 38 C H X S+ -68.2 -36.0 0 | 40. 39 39 N H X S+ -59.5 -44.5 22 | 41. 40 40 A H X S+ -67.6 -41.4 20 | 42. 41 41 V H ><>S+ -55.9 -51.6 9 | 43. 42 42 V H ><5S+ -66.5 -34.8 16 | 44. 43 43 E H 3<5S+ -78.5 -18.0 145 | 45. 44 44 S T X<5S- -77.1 -2.9 29 | 46. 45 45 N T < 5S- 25.5 63.8 71 | 47. 46 46 G T 3