==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 20-JUN-12 4FOD . COMPND 2 MOLECULE: ALK TYROSINE KINASE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,L.F.EPSTEIN,H.CHEN . 308 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 2 2 0 1 1 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1085 A T 0 0 122 0, 0.0 2,-0.2 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 136.5 19.3 37.0 1.6 2 1086 A S > - 0 0 3 1,-0.1 4,-1.0 96,-0.1 5,-0.1 -0.585 360.0-150.0 -85.3 142.8 15.7 35.6 1.3 3 1087 A T H > S+ 0 0 105 -2,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.969 95.9 36.4 -72.5 -55.8 12.7 37.8 0.5 4 1088 A I H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.5 0.737 112.4 57.2 -77.9 -24.9 10.0 36.0 2.4 5 1089 A M H > S+ 0 0 0 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.908 116.0 39.5 -65.0 -40.4 12.1 34.9 5.3 6 1090 A T H < S+ 0 0 80 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.794 115.2 52.9 -76.6 -32.6 12.8 38.7 5.8 7 1091 A D H < S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.950 124.1 26.1 -65.7 -51.9 9.1 39.6 4.9 8 1092 A Y H < S- 0 0 129 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.939 81.2-176.1 -76.9 -51.2 7.6 37.3 7.5 9 1093 A N < - 0 0 73 -4,-2.0 -3,-0.1 -5,-0.5 -4,-0.1 0.945 20.9-152.8 51.5 58.3 10.6 37.2 9.9 10 1094 A P - 0 0 27 0, 0.0 11,-0.4 0, 0.0 2,-0.3 -0.296 3.2-137.0 -65.5 143.5 9.0 34.6 12.2 11 1095 A N - 0 0 99 9,-0.1 2,-0.4 10,-0.1 9,-0.2 -0.746 13.5-157.1 -93.3 147.2 9.9 34.4 15.9 12 1096 A Y E -A 19 0A 2 7,-2.7 7,-3.2 -2,-0.3 2,-0.4 -0.997 4.0-160.4-126.2 133.3 10.5 31.1 17.6 13 1097 A S E +A 18 0A 53 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.953 17.2 161.3-117.4 133.8 10.2 30.6 21.4 14 1098 A F E > S-A 17 0A 21 3,-2.2 3,-1.7 -2,-0.4 141,-0.1 -0.983 71.3 -3.0-147.3 133.0 11.7 27.7 23.4 15 1099 A A T 3 S- 0 0 56 139,-0.5 3,-0.1 -2,-0.3 140,-0.1 0.855 129.8 -55.9 53.2 38.3 12.3 27.6 27.1 16 1100 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.630 115.4 107.2 73.8 14.8 11.1 31.2 27.6 17 1101 A K E < -A 14 0A 159 -3,-1.7 -3,-2.2 2,-0.0 2,-0.4 -0.970 57.7-143.8-128.1 141.3 13.5 32.7 25.1 18 1102 A T E +A 13 0A 83 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.876 19.7 179.1-110.6 135.1 12.7 34.1 21.7 19 1103 A S E -A 12 0A 7 -7,-3.2 -7,-2.7 -2,-0.4 2,-0.3 -0.857 5.6-172.3-129.1 163.8 14.9 33.8 18.6 20 1104 A S >> - 0 0 16 -2,-0.3 3,-2.6 -9,-0.2 4,-0.5 -0.881 49.5 -76.1-145.3-180.0 14.8 34.8 14.9 21 1105 A I G >4 S+ 0 0 38 -11,-0.4 3,-1.5 1,-0.3 -10,-0.1 0.829 123.7 64.0 -50.1 -36.8 16.8 34.3 11.7 22 1106 A S G 34 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.699 96.6 58.2 -64.0 -19.7 19.4 36.9 12.9 23 1107 A D G <4 S+ 0 0 90 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.666 83.2 101.4 -81.2 -17.7 20.3 34.5 15.8 24 1108 A L S << S- 0 0 17 -3,-1.5 2,-0.9 -4,-0.5 56,-0.1 -0.406 82.5-115.1 -69.0 145.9 21.2 31.7 13.5 25 1109 A K - 0 0 155 -2,-0.1 71,-2.7 72,-0.0 2,-0.5 -0.744 29.7-151.2 -86.8 105.3 25.0 31.2 12.9 26 1110 A E B -b 96 0B 64 -2,-0.9 71,-0.2 69,-0.2 69,-0.0 -0.651 6.3-157.8 -82.8 124.5 25.6 31.9 9.2 27 1111 A V - 0 0 20 69,-3.3 5,-0.1 -2,-0.5 68,-0.0 -0.880 29.1-105.9-102.6 130.3 28.6 30.1 7.8 28 1112 A P > - 0 0 69 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.298 24.0-130.6 -57.7 135.2 30.2 31.5 4.7 29 1113 A R G > S+ 0 0 57 1,-0.3 3,-1.8 2,-0.2 68,-0.0 0.836 105.5 63.4 -57.5 -33.3 29.3 29.4 1.6 30 1114 A K G 3 S+ 0 0 178 1,-0.3 -1,-0.3 21,-0.0 -3,-0.0 0.702 97.0 59.0 -64.2 -19.7 33.0 29.2 0.5 31 1115 A N G < S+ 0 0 41 -3,-2.0 21,-3.4 20,-0.1 2,-0.5 0.514 94.3 80.0 -84.5 -3.4 33.7 27.4 3.8 32 1116 A I E < +C 51 0B 15 -3,-1.8 2,-0.4 -4,-0.3 19,-0.2 -0.898 52.9 179.2-115.3 126.3 31.3 24.5 3.0 33 1117 A T E -C 50 0B 75 17,-2.3 17,-2.0 -2,-0.5 2,-0.3 -0.993 21.9-138.3-126.0 129.0 32.0 21.6 0.6 34 1118 A L E -C 49 0B 68 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.657 19.5-179.4 -81.4 137.7 29.6 18.7 -0.1 35 1119 A I E - 0 0 68 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.821 56.6 -25.0-104.6 -44.6 31.2 15.3 -0.2 36 1120 A R E -C 48 0B 149 12,-1.1 12,-2.9 0, 0.0 -1,-0.4 -0.977 63.6 -93.4-167.1 155.6 28.4 12.7 -1.0 37 1121 A G E -C 47 0B 39 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.517 26.3-170.0 -73.3 147.9 24.7 12.1 -0.8 38 1122 A L E - 0 0 89 8,-3.2 2,-0.2 1,-0.5 9,-0.2 0.389 49.8 -88.1-117.8 -2.4 23.6 10.2 2.3 39 1123 A G E -C 46 0B 30 7,-0.6 7,-3.2 2,-0.0 -1,-0.5 -0.679 59.4 -38.8 120.8-176.3 19.9 9.5 1.3 40 1124 A H E +C 45 0B 165 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.719 68.0 127.6 -93.2 128.0 16.5 11.0 1.5 41 1125 A G E > -C 44 0B 34 3,-3.3 3,-1.8 -2,-0.4 2,-0.2 -0.459 60.2 -2.3-144.5-140.7 15.4 13.0 4.6 42 1126 A A T 3 S- 0 0 19 1,-0.3 20,-0.3 -2,-0.2 -1,-0.2 -0.463 135.2 -0.2 -62.8 125.9 13.9 16.3 5.6 43 1127 A F T 3 S- 0 0 42 -2,-0.2 2,-0.4 18,-0.1 -1,-0.3 0.529 126.2 -73.9 69.7 12.1 13.6 18.4 2.5 44 1128 A G E < S+C 41 0B 16 -3,-1.8 -3,-3.3 19,-0.1 19,-0.0 -0.851 103.0 28.3 111.0-145.0 15.0 15.7 0.2 45 1129 A E E -C 40 0B 69 -2,-0.4 17,-0.6 -5,-0.2 2,-0.4 -0.288 62.4-153.5 -58.2 130.7 18.6 14.5 -0.2 46 1130 A V E -CD 39 61B 28 -7,-3.2 -8,-3.2 15,-0.1 -7,-0.6 -0.895 16.8-155.1-101.8 141.2 20.8 14.9 2.9 47 1131 A Y E -CD 37 60B 73 13,-2.4 13,-2.9 -2,-0.4 2,-0.4 -0.869 18.2-122.7-120.5 146.5 24.5 15.3 2.1 48 1132 A E E +CD 36 59B 36 -12,-2.9 -13,-3.4 -2,-0.3 -12,-1.1 -0.731 46.4 167.3 -76.2 138.7 27.8 14.7 3.9 49 1133 A G E -CD 34 58B 1 9,-2.8 9,-2.6 -2,-0.4 2,-0.3 -0.859 29.6-134.8-144.0 173.9 29.8 17.9 4.0 50 1134 A Q E -CD 33 57B 72 -17,-2.0 -17,-2.3 -2,-0.3 2,-0.5 -0.997 11.8-145.1-138.4 143.1 32.8 19.6 5.5 51 1135 A V E CD 32 56B 12 5,-2.4 5,-2.3 -2,-0.3 -19,-0.2 -0.949 360.0 360.0-112.6 127.3 33.2 23.1 7.0 52 1136 A S 0 0 105 -21,-3.4 -20,-0.1 -2,-0.5 -1,-0.1 0.479 360.0 360.0 59.8 360.0 36.4 25.1 6.7 53 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 1143 A S 0 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.9 41.3 19.3 8.9 55 1144 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.109 360.0 -94.4 -84.5 171.8 37.7 20.4 8.6 56 1145 A L E -D 51 0B 95 -5,-2.3 -5,-2.4 1,-0.0 2,-0.4 -0.685 38.3-133.4 -81.2 127.4 34.5 19.9 10.6 57 1146 A Q E +D 50 0B 117 -2,-0.4 52,-0.7 -7,-0.2 2,-0.3 -0.708 36.1 170.4 -81.5 135.9 32.4 16.9 9.3 58 1147 A V E -DE 49 108B 0 -9,-2.6 -9,-2.8 -2,-0.4 2,-0.4 -0.917 38.2-124.0-140.5 161.6 28.7 17.7 8.9 59 1148 A A E -DE 48 107B 14 48,-2.7 48,-3.4 -2,-0.3 2,-0.5 -0.921 33.0-152.3 -98.1 140.2 25.4 16.6 7.6 60 1149 A V E -DE 47 106B 0 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.4 -0.963 10.3-163.1-122.6 115.5 23.8 19.1 5.2 61 1150 A K E -DE 46 105B 21 44,-2.3 44,-2.1 -2,-0.5 2,-0.3 -0.829 18.2-158.7 -88.6 139.5 20.1 19.6 4.6 62 1151 A T E - E 0 104B 18 -17,-0.6 42,-0.2 -2,-0.4 39,-0.0 -0.884 13.7-135.1-121.2 147.2 19.3 21.6 1.5 63 1152 A L - 0 0 2 40,-2.2 40,-0.4 -2,-0.3 4,-0.1 -0.920 31.9-115.6 -97.8 124.3 16.3 23.5 0.5 64 1153 A P - 0 0 58 0, 0.0 39,-0.1 0, 0.0 -20,-0.0 -0.323 12.8-137.3 -55.2 134.5 15.2 22.9 -3.2 65 1154 A E S S+ 0 0 127 1,-0.2 2,-0.9 37,-0.0 -2,-0.0 0.784 100.4 65.6 -64.2 -26.6 15.6 26.1 -5.2 66 1155 A V S S+ 0 0 141 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.850 82.0 115.2 -94.5 98.1 12.2 25.1 -6.7 67 1156 A C - 0 0 37 -2,-0.9 2,-0.1 -4,-0.1 -4,-0.0 -0.976 62.7 -98.9-159.5 160.8 9.9 25.4 -3.6 68 1157 A S > - 0 0 57 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.313 36.9-106.2 -81.3 168.1 7.0 27.4 -2.3 69 1158 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.848 123.6 54.9 -59.0 -35.6 7.1 30.3 0.1 70 1159 A Q H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.819 103.3 54.2 -70.9 -32.6 5.8 27.9 2.8 71 1160 A D H > S+ 0 0 59 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.876 108.4 51.1 -62.8 -41.3 8.7 25.5 2.2 72 1161 A E H X S+ 0 0 25 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.928 111.4 45.6 -60.8 -48.7 11.1 28.4 2.8 73 1162 A L H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.903 111.4 53.7 -64.3 -39.3 9.4 29.3 6.0 74 1163 A D H X S+ 0 0 29 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.882 108.7 49.9 -58.2 -40.1 9.4 25.6 7.0 75 1164 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.907 110.5 48.5 -68.6 -44.5 13.1 25.5 6.4 76 1165 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.913 111.3 49.9 -59.3 -44.7 13.8 28.6 8.5 77 1166 A M H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.854 107.0 55.1 -67.6 -34.7 11.7 27.2 11.3 78 1167 A E H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.925 109.5 47.6 -59.5 -46.1 13.6 23.9 11.2 79 1168 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.913 112.5 48.9 -61.8 -43.9 16.9 25.8 11.6 80 1169 A L H X S+ 0 0 1 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.935 111.7 49.3 -63.4 -45.6 15.5 27.9 14.5 81 1170 A I H >X S+ 0 0 1 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.959 115.8 39.8 -59.9 -54.7 14.1 24.8 16.4 82 1171 A I H >< S+ 0 0 11 -4,-2.2 3,-0.8 1,-0.2 11,-0.3 0.880 110.3 59.3 -67.9 -35.4 17.3 22.6 16.2 83 1172 A S H 3< S+ 0 0 41 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.779 103.8 52.8 -65.5 -23.1 19.6 25.6 16.9 84 1173 A K H << S+ 0 0 93 -4,-1.2 -1,-0.2 -3,-0.7 2,-0.2 0.592 87.6 94.2 -90.9 -11.1 18.0 26.3 20.3 85 1174 A F << - 0 0 14 -3,-0.8 2,-0.2 -4,-0.6 8,-0.2 -0.557 51.9-171.8 -74.6 147.7 18.2 22.8 21.7 86 1175 A N + 0 0 111 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.732 35.8 112.7-142.8 88.8 21.2 22.0 23.9 87 1176 A H > - 0 0 24 3,-0.3 3,-1.6 -2,-0.2 60,-0.1 -0.974 65.0-125.7-160.2 143.0 21.5 18.4 24.8 88 1177 A Q T 3 S+ 0 0 105 -2,-0.3 4,-0.1 1,-0.3 59,-0.1 0.669 110.3 53.4 -66.6 -18.5 23.9 15.5 24.0 89 1178 A N T 3 S+ 0 0 7 89,-0.1 90,-2.7 2,-0.1 2,-0.4 0.116 97.7 74.7-106.1 20.2 21.1 13.3 22.7 90 1179 A I B < S-g 179 0C 2 -3,-1.6 -3,-0.3 88,-0.3 90,-0.2 -1.000 95.9-104.1-125.3 130.2 19.8 15.8 20.3 91 1180 A V - 0 0 9 88,-2.0 2,-0.2 -2,-0.4 -6,-0.1 -0.230 38.8-123.9 -53.4 137.5 21.8 16.4 17.1 92 1181 A R - 0 0 97 -4,-0.1 16,-2.9 -6,-0.1 2,-0.6 -0.505 10.1-135.2 -80.5 152.3 23.7 19.7 17.1 93 1182 A C E - F 0 107B 28 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.961 12.2-169.2-106.9 119.0 23.4 22.4 14.6 94 1183 A I E - 0 0 50 12,-1.9 2,-0.3 -2,-0.6 13,-0.2 0.850 58.9 -83.7 -73.1 -35.7 26.8 23.8 13.4 95 1184 A G E - F 0 106B 3 11,-1.6 11,-3.1 -3,-0.1 -1,-0.3 -0.979 43.8 -87.2 159.9-162.3 25.0 26.6 11.7 96 1185 A V E -bF 26 105B 1 -71,-2.7 -69,-3.3 -2,-0.3 2,-0.3 -0.898 5.0-152.3-136.8 160.2 23.3 27.6 8.5 97 1186 A S E + F 0 104B 0 7,-2.5 7,-2.7 -2,-0.3 3,-0.2 -0.782 38.9 145.7-133.3 87.0 24.0 29.0 5.0 98 1187 A L + 0 0 4 -2,-0.3 5,-0.1 5,-0.2 -96,-0.1 0.456 57.1 72.1-100.8 -6.7 20.8 30.8 4.1 99 1188 A Q S S+ 0 0 114 -98,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.315 96.7 51.0-100.1 6.2 22.3 33.7 2.1 100 1189 A S S S- 0 0 47 -3,-0.2 4,-0.2 2,-0.1 -3,-0.1 -0.932 95.8 -78.9-131.4 164.7 23.3 31.6 -0.9 101 1190 A L S S+ 0 0 93 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.908 109.9 35.8-116.8 138.8 21.2 29.2 -2.9 102 1191 A P S S- 0 0 42 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.571 97.5-130.4 -69.9 152.4 20.4 26.4 -2.4 103 1192 A R - 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0 0 8 -3,-1.8 15,-0.1 -4,-0.3 14,-0.0 -0.727 66.3-128.7-105.3 138.7 0.1 7.8 18.6 202 1297 A P >> - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.9 -0.396 35.0-100.3 -77.4 162.9 -1.9 7.4 21.8 203 1298 A P H 3> S+ 0 0 3 0, 0.0 4,-1.1 0, 0.0 5,-0.2 0.832 120.4 53.6 -48.5 -45.1 -5.7 7.1 21.9 204 1299 A E H 3>>S+ 0 0 30 69,-0.3 6,-1.4 1,-0.2 4,-1.3 0.671 100.2 65.7 -70.4 -18.0 -6.4 10.7 22.9 205 1300 A A H <>5S+ 0 0 5 -3,-1.6 4,-1.2 4,-0.2 -1,-0.2 0.972 108.5 31.3 -68.5 -58.8 -4.2 12.0 20.0 206 1301 A F H <5S+ 0 0 46 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.644 125.2 48.0 -81.1 -12.5 -6.3 10.9 17.0 207 1302 A M H <5S+ 0 0 120 -4,-1.1 -2,-0.2 3,-0.1 -3,-0.2 0.940 132.7 6.9 -81.9 -66.5 -9.6 11.2 18.8 208 1303 A E H <5S- 0 0 151 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.535 88.9-125.3-101.3 -10.4 -9.4 14.6 20.5 209 1304 A G << + 0 0 47 -4,-1.2 2,-0.6 -5,-0.6 -4,-0.2 0.798 57.2 152.7 65.4 28.1 -6.2 16.0 19.1 210 1305 A I - 0 0 89 -6,-1.4 2,-0.4 5,-0.0 -1,-0.3 -0.824 22.8-172.2 -93.0 121.6 -4.9 16.6 22.6 211 1306 A F + 0 0 51 -2,-0.6 2,-0.2 -3,-0.1 -54,-0.1 -0.933 16.6 147.0-118.3 137.5 -1.1 16.5 22.9 212 1307 A T >> - 0 0 58 -2,-0.4 3,-1.4 -56,-0.0 4,-0.7 -0.840 65.7 -83.9-145.0-176.8 1.0 16.6 26.1 213 1308 A S H 3> S+ 0 0 25 1,-0.3 4,-1.7 -2,-0.2 3,-0.1 0.754 125.2 69.2 -68.3 -21.2 4.4 15.0 27.1 214 1309 A K H 3> S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.676 90.2 63.5 -69.1 -15.6 2.4 11.8 27.9 215 1310 A T H <> S+ 0 0 1 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.918 102.6 47.0 -65.0 -48.6 2.0 11.7 24.1 216 1311 A D H X S+ 0 0 2 -4,-0.7 4,-2.8 1,-0.2 -2,-0.2 0.865 106.3 59.2 -63.5 -34.2 5.7 11.3 23.7 217 1312 A T H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.925 106.8 47.0 -58.6 -46.5 5.7 8.6 26.5 218 1313 A W H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.920 112.8 48.5 -57.3 -50.0 3.3 6.5 24.4 219 1314 A S H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.893 107.2 56.0 -61.3 -40.2 5.4 7.0 21.3 220 1315 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.882 102.6 56.8 -58.8 -38.6 8.6 6.1 23.3 221 1316 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.919 108.6 45.9 -56.1 -43.9 6.9 2.8 24.2 222 1317 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.907 109.8 54.0 -67.5 -44.0 6.4 2.1 20.5 223 1318 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.895 106.3 53.6 -52.2 -43.6 10.1 3.1 19.8 224 1319 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.906 108.0 49.2 -59.4 -43.5 11.1 0.6 22.5 225 1320 A W H X S+ 0 0 16 -4,-1.7 4,-2.1 1,-0.2 7,-0.2 0.936 110.4 51.4 -61.2 -44.6 9.2 -2.1 20.7 226 1321 A E H <>S+ 0 0 2 -4,-2.6 5,-3.1 1,-0.2 6,-0.5 0.916 112.6 46.6 -55.4 -43.7 10.9 -1.1 17.4 227 1322 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.941 114.9 43.3 -65.6 -50.9 14.3 -1.4 19.2 228 1323 A F H 3<5S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.712 111.6 54.4 -78.4 -16.6 13.7 -4.7 20.9 229 1324 A S T 3<5S- 0 0 12 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.488 116.1-117.9 -81.6 -7.9 12.2 -6.2 17.7 230 1325 A L T < 5S- 0 0 7 -3,-1.3 -3,-0.2 -4,-0.3 -107,-0.1 0.910 76.3 -36.5 65.3 45.9 15.3 -5.1 15.8 231 1326 A G S S- 0 0 7 1,-0.1 3,-2.2 19,-0.1 8,-0.1 0.956 92.5-136.3 50.1 62.3 1.6 -3.7 14.6 236 1331 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.204 81.5 9.3 -51.5 130.5 2.8 -6.3 12.0 237 1332 A S T 3 S+ 0 0 130 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.210 103.5 115.0 83.3 -10.8 0.1 -6.9 9.4 238 1333 A K < - 0 0 72 -3,-2.2 -1,-0.2 -4,-0.1 2,-0.1 -0.717 56.2-141.4 -96.0 140.7 -2.2 -4.0 10.6 239 1334 A S > - 0 0 57 -2,-0.3 4,-2.9 -3,-0.1 5,-0.2 -0.376 36.6 -94.4 -82.3 171.3 -3.0 -0.9 8.5 240 1335 A N H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.925 126.5 44.2 -54.1 -49.4 -3.3 2.6 10.0 241 1336 A Q H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.858 112.2 52.9 -68.7 -33.5 -7.0 2.4 10.6 242 1337 A E H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.933 110.9 47.9 -64.7 -42.6 -6.8 -1.2 12.0 243 1338 A V H X S+ 0 0 1 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.928 109.4 53.2 -61.3 -46.0 -4.2 0.1 14.5 244 1339 A L H X S+ 0 0 41 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.940 114.2 40.7 -55.3 -49.7 -6.4 3.1 15.4 245 1340 A E H X S+ 0 0 113 -4,-2.2 4,-0.8 2,-0.2 6,-0.2 0.912 116.0 51.3 -67.4 -41.3 -9.3 0.8 16.2 246 1341 A F H ><>S+ 0 0 61 -4,-2.7 5,-2.9 -5,-0.2 3,-0.7 0.947 114.7 41.6 -58.0 -54.0 -7.1 -1.8 17.9 247 1342 A V H ><5S+ 0 0 2 -4,-3.2 3,-1.7 1,-0.2 -2,-0.2 0.904 112.1 53.3 -65.1 -44.1 -5.4 0.7 20.2 248 1343 A T H 3<5S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.612 108.9 51.9 -69.4 -12.7 -8.6 2.7 21.0 249 1344 A S T <<5S- 0 0 97 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.291 130.7 -91.1-102.0 6.7 -10.2 -0.5 22.1 250 1345 A G T < 5S+ 0 0 47 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.402 75.0 149.9 101.0 -1.2 -7.4 -1.6 24.5 251 1346 A G < - 0 0 12 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.3 -0.436 19.5-179.8 -68.4 137.3 -5.3 -3.6 22.0 252 1347 A R - 0 0 53 -2,-0.1 16,-0.0 -17,-0.0 -5,-0.0 -0.970 31.2 -96.3-134.8 152.4 -1.5 -3.6 22.6 253 1348 A M - 0 0 9 -2,-0.3 15,-0.0 1,-0.1 -28,-0.0 -0.296 38.2-115.5 -63.0 146.7 1.4 -5.3 20.8 254 1349 A D - 0 0 128 1,-0.1 -19,-0.1 -2,-0.0 -1,-0.1 -0.301 47.5 -79.4 -67.5 164.7 2.8 -8.6 22.0 255 1350 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.442 52.8-106.2 -64.1 143.4 6.4 -8.7 23.3 256 1351 A P > - 0 0 8 0, 0.0 3,-2.4 0, 0.0 -27,-0.1 -0.320 57.3 -68.3 -60.4 157.7 9.0 -8.7 20.5 257 1352 A K T 3 S- 0 0 155 1,-0.3 0, 0.0 -28,-0.1 0, 0.0 -0.243 120.6 -1.5 -54.7 126.6 10.8 -12.0 20.0 258 1353 A N T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.1 -29,-0.0 0.476 89.6 160.4 66.9 8.9 13.0 -12.9 23.1 259 1354 A C < - 0 0 19 -3,-2.4 -1,-0.2 1,-0.1 2,-0.1 -0.384 42.6-119.8 -60.2 124.5 12.1 -9.6 24.8 260 1355 A P > - 0 0 12 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.389 19.4-120.5 -63.9 146.9 12.8 -9.8 28.5 261 1356 A G H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 110.9 55.9 -56.8 -43.9 9.7 -9.3 30.7 262 1357 A P H > S+ 0 0 35 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.866 109.9 47.0 -61.4 -34.0 11.1 -6.3 32.5 263 1358 A V H >> S+ 0 0 1 -3,-0.5 4,-1.5 2,-0.2 3,-0.7 0.945 111.0 50.5 -68.9 -47.4 11.7 -4.6 29.2 264 1359 A Y H 3X S+ 0 0 51 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.885 104.5 59.9 -57.6 -38.0 8.2 -5.4 27.9 265 1360 A R H 3X S+ 0 0 153 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.828 99.9 54.8 -63.3 -30.5 6.7 -4.1 31.1 266 1361 A I H < S+ 0 0 71 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.890 107.7 52.3 -70.0 -40.5 3.4 1.2 31.2 270 1365 A C H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.740 108.1 54.5 -60.0 -28.5 4.1 3.6 28.3 271 1366 A W T 3< S+ 0 0 1 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.060 73.3 142.3 -98.7 23.2 0.9 2.4 26.6 272 1367 A Q < - 0 0 59 -3,-1.3 6,-0.2 1,-0.1 -3,-0.1 -0.439 55.8-129.6 -62.9 135.0 -1.5 2.9 29.6 273 1368 A H S S+ 0 0 90 -2,-0.1 -69,-0.3 4,-0.1 -1,-0.1 0.895 93.6 61.6 -56.7 -43.2 -4.9 4.2 28.2 274 1369 A Q S >> S- 0 0 85 1,-0.1 3,-1.7 -71,-0.1 4,-0.6 -0.768 80.1-140.7 -90.0 127.4 -5.0 7.1 30.6 275 1370 A P G >4 S+ 0 0 28 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.824 101.1 61.0 -49.3 -38.6 -2.2 9.7 30.1 276 1371 A E G 34 S+ 0 0 139 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.766 100.4 54.8 -64.0 -26.9 -2.0 10.1 33.9 277 1372 A D G <4 S+ 0 0 79 -3,-1.7 -1,-0.3 2,-0.1 -4,-0.1 0.597 89.3 95.6 -85.3 -13.0 -1.1 6.5 34.4 278 1373 A R S << S- 0 0 4 -3,-1.2 -8,-0.2 -4,-0.6 2,-0.1 -0.605 80.8-113.3 -77.9 139.0 1.8 6.7 32.0 279 1374 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.361 23.5-124.7 -66.0 143.0 5.3 7.2 33.5 280 1375 A N > - 0 0 60 1,-0.1 4,-2.2 -2,-0.1 3,-0.3 -0.258 37.6 -95.8 -70.5 175.4 7.2 10.5 32.8 281 1376 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -132,-0.2 0.791 122.7 61.9 -75.1 -23.4 10.7 10.2 31.3 282 1377 A A H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 109.5 42.8 -58.8 -44.8 12.5 10.3 34.7 283 1378 A I H > S+ 0 0 54 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.901 111.6 54.0 -71.3 -42.2 10.6 7.1 35.7 284 1379 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 109.0 49.6 -55.1 -45.1 11.3 5.6 32.2 285 1380 A L H X S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.910 108.7 51.5 -63.3 -42.3 15.0 6.2 32.7 286 1381 A E H X S+ 0 0 129 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.890 111.6 47.8 -59.3 -39.0 15.1 4.6 36.2 287 1382 A R H X S+ 0 0 100 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.877 110.6 50.4 -73.5 -37.4 13.4 1.5 34.8 288 1383 A I H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.912 110.5 51.1 -63.2 -43.0 15.8 1.3 31.8 289 1384 A E H X S+ 0 0 93 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.936 109.2 50.3 -59.6 -44.4 18.7 1.6 34.3 290 1385 A Y H X S+ 0 0 181 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.941 110.4 49.0 -60.3 -49.6 17.2 -1.3 36.4 291 1386 A C H >< S+ 0 0 5 -4,-2.3 3,-0.7 1,-0.2 7,-0.4 0.883 109.1 54.9 -50.1 -41.7 16.9 -3.5 33.3 292 1387 A T H 3< S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.814 109.3 45.8 -68.1 -30.5 20.5 -2.6 32.5 293 1388 A Q H 3< S+ 0 0 131 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.607 91.3 97.8 -88.1 -8.6 21.8 -3.8 35.9 294 1389 A D XX - 0 0 40 -4,-0.9 4,-2.1 -3,-0.7 3,-0.7 -0.676 61.2-155.6 -88.3 112.1 19.7 -7.1 35.9 295 1390 A P H 3> S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.858 92.0 58.1 -55.9 -36.7 21.8 -10.0 34.7 296 1391 A D H 34 S+ 0 0 127 2,-0.2 4,-0.1 1,-0.2 -5,-0.1 0.854 110.8 43.7 -65.0 -33.9 18.8 -12.0 33.5 297 1392 A V H X4 S+ 0 0 2 -3,-0.7 3,-1.8 -6,-0.2 -1,-0.2 0.978 117.4 42.0 -67.6 -58.8 17.8 -9.2 31.1 298 1393 A I H 3< S+ 0 0 53 -4,-2.1 -163,-0.4 -7,-0.4 -164,-0.3 0.700 111.3 56.7 -72.4 -16.7 21.3 -8.5 29.7 299 1394 A N T 3< S+ 0 0 128 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.3 0.431 80.2 111.8 -90.6 2.2 22.2 -12.2 29.4 300 1395 A T < - 0 0 47 -3,-1.8 -166,-0.5 -4,-0.1 2,-0.2 -0.601 69.4-126.9 -76.5 129.3 19.2 -12.9 27.2 301 1396 A A - 0 0 76 -2,-0.4 -168,-0.1 -168,-0.1 -2,-0.1 -0.528 15.6-127.8 -75.7 140.5 20.2 -13.8 23.7 302 1397 A L - 0 0 15 -170,-0.3 -44,-0.1 -2,-0.2 -1,-0.1 -0.594 38.8 -92.6 -77.1 151.2 18.7 -11.9 20.8 303 1398 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.340 34.7-126.7 -66.7 144.9 17.2 -14.1 18.0 304 1399 A I - 0 0 100 -181,-0.1 2,-0.5 -3,-0.1 -179,-0.2 -0.856 17.3-139.1 -93.8 124.4 19.4 -15.0 15.1 305 1400 A E - 0 0 61 -181,-3.0 2,-0.1 -2,-0.5 0, 0.0 -0.736 29.9-112.7 -85.3 126.1 17.8 -14.1 11.7 306 1401 A Y + 0 0 216 -2,-0.5 -1,-0.1 -181,-0.2 -181,-0.0 -0.308 59.0 116.6 -70.8 136.9 18.5 -16.9 9.3 307 1402 A G - 0 0 22 -2,-0.1 2,-0.0 0, 0.0 -182,-0.0 -0.935 60.5 -56.5-169.6-171.3 20.8 -16.4 6.2 308 1403 A P - 0 0 94 0, 0.0 -181,-0.5 0, 0.0 -183,-0.0 -0.229 39.3-118.9 -75.2 167.8 24.1 -17.6 4.7 309 1404 A L 0 0 138 -183,-0.1 -184,-0.0 -182,-0.1 0, 0.0 0.745 360.0 360.0 -72.8 -27.2 27.6 -17.6 6.3 310 1405 A V 0 0 168 0, 0.0 -183,-0.1 0, 0.0 0, 0.0 0.286 360.0 360.0-142.0 360.0 28.6 -15.3 3.3