==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAR-12 4ANL . COMPND 2 MOLECULE: ALK TYROSINE KINASE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MCTIGUE,Y.DENG,W.LIU,A.BROOUN . 292 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 30.5 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+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 1 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 . 0 1 2 2 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 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 1094 A P 0 0 100 0, 0.0 11,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 141.1 42.6 23.1 12.1 2 1095 A N - 0 0 99 9,-0.1 2,-0.4 10,-0.1 9,-0.2 -0.584 360.0-147.4 -96.3 160.6 41.4 23.7 15.7 3 1096 A Y E -A 10 0A 2 7,-2.8 7,-3.1 -2,-0.2 2,-0.5 -0.998 7.4-158.1-129.1 133.8 40.9 26.9 17.5 4 1097 A C E +A 9 0A 63 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.944 20.2 157.4-116.2 127.3 41.5 27.5 21.2 5 1098 A F E > S+A 8 0A 20 3,-2.2 3,-1.9 -2,-0.5 138,-0.1 -0.986 70.3 0.3-145.3 135.7 39.9 30.3 23.3 6 1099 A A T 3 S- 0 0 61 136,-0.5 3,-0.1 -2,-0.3 137,-0.1 0.853 130.9 -57.5 55.3 34.4 39.3 30.5 27.0 7 1100 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 135,-0.1 -1,-0.3 0.531 114.4 110.8 79.0 5.5 40.8 27.1 27.4 8 1101 A K E < -A 5 0A 147 -3,-1.9 -3,-2.2 2,-0.0 2,-0.5 -0.912 58.0-139.1-117.8 147.6 38.4 25.3 25.0 9 1102 A T E +A 4 0A 71 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.873 22.3 177.4-107.4 125.0 39.0 23.9 21.6 10 1103 A S E -A 3 0A 7 -7,-3.1 -7,-2.8 -2,-0.5 2,-0.3 -0.850 6.3-165.8-121.1 160.5 36.6 24.2 18.7 11 1104 A S > - 0 0 31 -2,-0.3 3,-2.6 -9,-0.2 4,-0.5 -0.818 45.7 -83.8-135.2 177.4 36.7 23.1 15.1 12 1105 A I G > S+ 0 0 84 -11,-0.4 3,-1.5 1,-0.3 -10,-0.1 0.833 124.4 65.3 -51.3 -34.3 34.9 23.8 11.8 13 1106 A S G 3 S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.1 4,-0.2 0.730 94.6 59.4 -62.4 -22.0 32.3 21.3 13.0 14 1107 A D G < S+ 0 0 104 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.624 82.2 101.2 -84.6 -14.8 31.4 23.6 15.8 15 1108 A L S < S- 0 0 17 -3,-1.5 2,-1.1 -4,-0.5 53,-0.1 -0.458 83.6-113.5 -70.0 142.9 30.4 26.5 13.6 16 1109 A K - 0 0 121 -2,-0.1 68,-2.7 69,-0.0 2,-0.5 -0.687 31.2-152.0 -81.3 102.3 26.6 26.9 13.0 17 1110 A E B -b 84 0B 45 -2,-1.1 68,-0.2 66,-0.2 66,-0.0 -0.646 6.3-155.8 -78.1 121.8 26.1 26.1 9.3 18 1111 A V - 0 0 6 66,-3.4 5,-0.1 -2,-0.5 65,-0.0 -0.851 28.1-105.3 -99.4 130.2 23.1 27.9 8.0 19 1112 A P > - 0 0 49 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.296 24.5-132.7 -57.9 133.7 21.4 26.3 4.9 20 1113 A R G > S+ 0 0 70 1,-0.3 3,-1.9 2,-0.2 65,-0.0 0.835 104.2 61.7 -59.8 -35.1 22.3 28.3 1.8 21 1114 A K G 3 S+ 0 0 176 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.696 98.2 59.6 -64.4 -18.5 18.7 28.4 0.6 22 1115 A N G < S+ 0 0 79 -3,-2.0 2,-0.5 19,-0.1 -1,-0.3 0.484 93.2 81.8 -86.9 -3.5 17.8 30.3 3.8 23 1116 A I < - 0 0 13 -3,-1.9 2,-0.4 -4,-0.2 18,-0.2 -0.905 54.3-179.3-113.0 125.6 20.2 33.1 3.0 24 1117 A T E -C 40 0B 79 16,-2.4 16,-2.2 -2,-0.5 2,-0.4 -0.985 21.7-137.8-124.8 129.3 19.4 36.0 0.7 25 1118 A L E +C 39 0B 75 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.712 21.0 178.9 -84.4 130.8 21.7 38.9 -0.2 26 1119 A I E - 0 0 65 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.867 57.3 -23.6 -99.0 -48.8 19.9 42.3 -0.3 27 1120 A R E -C 38 0B 135 11,-1.2 11,-3.2 0, 0.0 -1,-0.4 -0.982 62.7 -98.2-163.1 151.9 22.5 44.9 -1.1 28 1121 A G E -C 37 0B 46 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.467 21.9-160.3 -70.1 150.7 26.2 45.5 -1.1 29 1122 A L 0 0 84 7,-2.6 8,-0.1 1,-0.4 -1,-0.1 0.173 360.0 360.0-117.0 14.0 27.5 47.6 1.9 30 1123 A G 0 0 97 6,-0.3 6,-1.1 0, 0.0 -1,-0.4 -0.216 360.0 360.0 123.4 360.0 30.7 48.7 0.3 31 ! 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 32 1126 A A 0 0 160 0, 0.0 2,-0.7 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -73.3 40.1 44.8 0.4 33 1127 A F - 0 0 99 2,-0.0 17,-0.0 1,-0.0 2,-0.0 -0.905 360.0 -3.8-110.9 108.0 39.7 41.0 0.2 34 1128 A G S S- 0 0 26 -2,-0.7 2,-0.2 17,-0.1 17,-0.1 0.082 78.9-100.9 90.6 152.1 36.1 39.9 -0.1 35 1129 A E - 0 0 109 -3,-0.0 15,-2.1 -2,-0.0 2,-0.4 -0.677 20.8-135.3-107.5 160.9 32.9 42.0 -0.1 36 1130 A V E - D 0 49B 53 -6,-1.1 -7,-2.6 -2,-0.2 -6,-0.3 -0.972 24.4-177.5-118.7 133.5 30.3 42.7 2.6 37 1131 A Y E -CD 28 48B 52 11,-2.5 11,-3.2 -2,-0.4 2,-0.4 -0.867 31.2-117.7-123.0 155.3 26.6 42.5 2.0 38 1132 A E E +CD 27 47B 35 -11,-3.2 -12,-3.2 -2,-0.3 -11,-1.2 -0.805 48.9 172.2 -80.9 135.8 23.4 43.1 3.9 39 1133 A G E -CD 25 46B 0 7,-3.1 7,-2.3 -2,-0.4 2,-0.4 -0.837 29.6-132.1-137.3 175.2 21.5 39.8 4.0 40 1134 A Q E CD 24 45B 81 -16,-2.2 -16,-2.4 -2,-0.3 5,-0.2 -0.994 360.0 360.0-129.1 140.8 18.5 38.0 5.4 41 1135 A V 0 0 47 3,-2.3 3,-2.6 -2,-0.4 -18,-0.2 -0.969 360.0 360.0-123.3 360.0 18.3 34.6 7.1 42 ! 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 43 1144 A P 0 0 134 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.5 13.7 37.3 8.9 44 1145 A L - 0 0 92 -3,-2.6 -3,-2.3 1,-0.0 2,-0.4 -0.690 360.0-137.4 -83.3 125.8 16.9 38.0 10.7 45 1146 A Q E +D 40 0B 120 -2,-0.5 52,-0.7 -5,-0.2 2,-0.3 -0.710 35.2 165.6 -84.7 131.5 18.9 40.9 9.2 46 1147 A V E -DE 39 96B 0 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.882 39.5-117.2-137.2 165.1 22.6 40.2 8.9 47 1148 A A E -DE 38 95B 11 48,-2.8 48,-3.1 -2,-0.3 2,-0.5 -0.885 30.9-150.3 -97.6 142.8 25.9 41.3 7.4 48 1149 A V E -DE 37 94B 0 -11,-3.2 -11,-2.5 -2,-0.4 2,-0.5 -0.961 7.9-164.4-120.2 116.6 27.4 38.7 5.0 49 1150 A K E -DE 36 93B 44 44,-2.6 44,-2.3 -2,-0.5 2,-0.3 -0.860 17.5-154.1 -96.3 131.5 31.2 38.5 4.6 50 1151 A T E - E 0 92B 14 -15,-2.1 42,-0.2 -2,-0.5 41,-0.0 -0.770 12.9-139.6-110.4 151.2 32.2 36.5 1.5 51 1152 A L - 0 0 5 40,-2.1 40,-0.4 -2,-0.3 4,-0.1 -0.930 33.1-117.4-100.9 123.5 35.3 34.5 0.6 52 1153 A P - 0 0 36 0, 0.0 39,-0.0 0, 0.0 7,-0.0 -0.374 12.6-136.8 -61.3 138.1 36.2 35.0 -3.0 53 1154 A E S S+ 0 0 122 1,-0.2 2,-1.4 -2,-0.0 -2,-0.0 0.817 99.6 68.0 -65.7 -30.7 36.1 31.7 -4.9 54 1155 A V S S+ 0 0 139 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.733 81.6 119.2 -87.5 87.4 39.4 32.7 -6.6 55 1156 A C - 0 0 33 -2,-1.4 2,-0.1 -4,-0.1 -4,-0.0 -0.952 62.4-103.2-146.3 162.9 41.5 32.4 -3.4 56 1157 A S > - 0 0 44 -2,-0.3 4,-1.8 1,-0.1 3,-0.1 -0.371 35.8-106.9 -84.2 166.8 44.4 30.4 -2.1 57 1158 A E H > S+ 0 0 158 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.829 124.6 54.9 -60.4 -31.1 44.3 27.5 0.3 58 1159 A Q H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.854 102.9 54.4 -71.4 -35.2 45.7 29.9 2.9 59 1160 A D H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.882 107.9 51.6 -62.2 -38.3 42.9 32.3 2.2 60 1161 A E H X S+ 0 0 56 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.919 110.2 46.6 -65.2 -45.1 40.5 29.5 3.0 61 1162 A L H X S+ 0 0 80 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.874 111.7 52.3 -66.5 -36.5 42.2 28.7 6.3 62 1163 A D H X S+ 0 0 27 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.904 109.8 48.5 -63.2 -42.4 42.2 32.4 7.2 63 1164 A F H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.925 112.2 48.8 -66.1 -45.5 38.5 32.6 6.5 64 1165 A L H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.928 110.9 50.1 -57.8 -46.6 37.8 29.5 8.6 65 1166 A M H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.883 107.2 54.1 -65.5 -37.3 39.9 30.8 11.4 66 1167 A E H X S+ 0 0 17 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.916 109.1 49.5 -59.1 -43.7 38.1 34.2 11.4 67 1168 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.924 111.8 47.9 -61.6 -45.5 34.8 32.4 11.7 68 1169 A L H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.932 111.9 50.3 -62.3 -44.5 36.0 30.3 14.6 69 1170 A I H >X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 3,-0.6 0.946 114.7 40.5 -60.7 -51.3 37.4 33.3 16.4 70 1171 A I H >< S+ 0 0 5 -4,-2.3 3,-0.8 1,-0.2 11,-0.3 0.889 111.5 57.6 -69.2 -36.3 34.3 35.5 16.2 71 1172 A S H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.752 104.3 52.6 -65.1 -24.6 31.9 32.6 16.9 72 1173 A K H << S+ 0 0 97 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.623 88.5 92.9 -92.4 -13.2 33.6 31.8 20.2 73 1174 A F << - 0 0 13 -3,-0.8 8,-0.2 -4,-0.7 2,-0.2 -0.510 52.9-170.7 -72.3 148.9 33.4 35.3 21.7 74 1175 A N + 0 0 111 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.675 36.3 112.9-142.8 86.0 30.4 36.1 23.9 75 1176 A H > - 0 0 33 3,-0.3 3,-1.8 -2,-0.2 60,-0.0 -0.977 64.9-125.9-157.1 143.6 30.1 39.8 24.8 76 1177 A Q T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 59,-0.1 0.705 109.8 54.6 -65.6 -20.8 27.8 42.6 23.9 77 1178 A N T 3 S+ 0 0 7 89,-0.1 90,-2.8 2,-0.1 2,-0.4 0.137 96.6 74.8-103.2 21.3 30.6 44.8 22.7 78 1179 A I B < S-g 167 0C 1 -3,-1.8 -3,-0.3 88,-0.3 90,-0.2 -1.000 95.8-103.3-126.6 131.1 31.9 42.3 20.2 79 1180 A V - 0 0 7 88,-2.0 2,-0.1 -2,-0.4 -6,-0.1 -0.223 39.9-124.1 -54.2 134.1 30.0 41.7 17.0 80 1181 A R - 0 0 97 -4,-0.1 16,-2.7 -6,-0.1 2,-0.6 -0.471 9.6-136.2 -78.4 150.8 28.0 38.5 17.1 81 1182 A C E - F 0 95B 29 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.954 12.3-169.6-106.0 119.1 28.3 35.7 14.5 82 1183 A I E - 0 0 47 12,-1.8 2,-0.3 -2,-0.6 13,-0.2 0.810 58.4 -82.0 -74.3 -31.5 24.9 34.3 13.5 83 1184 A G E - F 0 94B 2 11,-1.5 11,-3.1 -3,-0.1 2,-0.3 -0.986 44.3 -91.0 159.2-162.5 26.6 31.5 11.7 84 1185 A V E -bF 17 93B 0 -68,-2.7 -66,-3.4 -2,-0.3 2,-0.3 -0.911 3.4-149.9-138.4 162.8 28.3 30.5 8.5 85 1186 A S E + F 0 92B 0 7,-2.5 7,-2.5 -2,-0.3 3,-0.2 -0.752 39.6 145.7-130.9 88.4 27.6 29.0 5.1 86 1187 A L + 0 0 15 -2,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.569 58.5 70.3 -99.2 -11.8 30.8 27.2 4.3 87 1188 A Q S S+ 0 0 153 -3,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.430 97.5 54.0 -92.3 0.4 29.3 24.3 2.3 88 1189 A S S S- 0 0 45 -3,-0.2 4,-0.2 2,-0.1 -3,-0.1 -0.924 94.4 -82.1-126.6 160.0 28.3 26.4 -0.7 89 1190 A L S S+ 0 0 89 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.908 109.6 35.5-115.0 138.1 30.4 28.7 -2.8 90 1191 A P S S- 0 0 41 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 0.546 99.3-128.8 -71.5 151.4 31.2 31.5 -2.4 91 1192 A R - 0 0 63 -40,-0.4 -40,-2.1 -2,-0.1 2,-0.3 -0.393 24.5-152.3 -71.7 144.7 31.5 30.8 1.3 92 1193 A F E -EF 50 85B 3 -7,-2.5 -7,-2.5 -42,-0.2 2,-0.4 -0.896 17.5-161.2-117.3 145.4 29.7 33.1 3.8 93 1194 A I E -EF 49 84B 0 -44,-2.3 -44,-2.6 -2,-0.3 2,-0.6 -0.998 22.1-146.0-114.3 131.8 30.2 34.3 7.3 94 1195 A L E +EF 48 83B 0 -11,-3.1 -12,-1.8 -2,-0.4 -11,-1.5 -0.869 23.9 178.8-103.1 121.7 27.0 35.7 8.8 95 1196 A L E -EF 47 81B 28 -48,-3.1 -48,-2.8 -2,-0.6 -14,-0.2 -0.797 39.4 -82.0-122.3 158.4 27.5 38.6 11.3 96 1197 A E E -E 46 0B 42 -16,-2.7 2,-0.4 -2,-0.3 -50,-0.2 -0.377 54.2-115.8 -51.3 127.2 25.5 41.0 13.4 97 1198 A L - 0 0 25 -52,-0.7 2,-0.7 -2,-0.1 -1,-0.1 -0.606 27.8-164.1 -74.8 125.0 24.3 43.8 11.0 98 1199 A M > - 0 0 15 -2,-0.4 3,-2.0 1,-0.1 58,-0.3 -0.809 8.0-177.1-116.4 90.4 25.9 47.0 12.2 99 1200 A A T 3 S+ 0 0 73 58,-1.2 59,-0.3 -2,-0.7 58,-0.2 0.630 76.3 66.4 -69.4 -15.8 23.9 49.8 10.5 100 1201 A G T 3 S- 0 0 6 56,-2.2 -1,-0.3 58,-0.2 57,-0.2 0.637 95.0-148.2 -78.8 -13.9 26.1 52.6 11.9 101 1202 A G E < -H 156 0C 29 -3,-2.0 55,-2.1 55,-0.7 -1,-0.2 -0.219 44.0 -17.7 76.4-169.2 29.1 51.4 9.9 102 1203 A D E > -H 155 0C 46 53,-0.2 4,-2.3 1,-0.1 53,-0.3 -0.394 60.7-124.4 -77.2 151.0 32.7 51.7 11.0 103 1204 A L H > S+ 0 0 0 51,-2.2 4,-2.6 48,-0.8 49,-0.2 0.845 105.9 54.1 -65.4 -37.9 33.7 54.1 13.8 104 1205 A K H > S+ 0 0 32 47,-0.7 4,-2.2 50,-0.3 -1,-0.2 0.958 112.3 43.5 -63.6 -49.8 36.3 56.1 11.9 105 1206 A S H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.908 113.0 53.8 -61.4 -41.9 33.9 56.9 9.0 106 1207 A F H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.938 108.7 48.1 -57.2 -49.0 31.1 57.7 11.5 107 1208 A L H < S+ 0 0 1 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.924 114.3 46.2 -59.5 -46.0 33.3 60.2 13.4 108 1209 A R H >< S+ 0 0 120 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.889 117.6 42.0 -64.9 -40.0 34.4 61.9 10.2 109 1210 A E H 3< S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.687 115.9 48.2 -84.0 -17.0 30.9 62.1 8.7 110 1211 A T T 3< S+ 0 0 21 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.228 76.9 136.6-110.9 12.2 29.1 63.1 11.9 111 1212 A R < - 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0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-1.2 -0.370 34.6-102.8 -76.7 162.5 53.7 50.3 21.7 192 1298 A P H 3> S+ 0 0 2 0, 0.0 4,-1.3 0, 0.0 5,-0.3 0.856 119.5 52.0 -55.6 -42.8 57.5 50.3 21.6 193 1299 A E H 3> S+ 0 0 29 69,-0.3 6,-1.8 1,-0.2 4,-1.3 0.729 107.1 58.1 -69.1 -18.6 58.1 46.8 22.8 194 1300 A A H <> S+ 0 0 4 -3,-1.2 4,-0.8 4,-0.2 -1,-0.2 0.951 112.8 32.5 -77.0 -51.6 55.7 45.6 20.1 195 1301 A F H < S+ 0 0 40 -4,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.596 126.6 45.0 -84.1 -9.6 57.4 46.9 17.0 196 1302 A M H < S+ 0 0 115 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.2 0.892 132.3 9.9 -94.2 -56.1 60.8 46.4 18.5 197 1303 A E H < S- 0 0 142 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.486 91.8-121.8-106.4 -7.3 60.9 43.0 20.2 198 1304 A G < + 0 0 45 -4,-0.8 2,-0.5 -5,-0.5 -4,-0.2 0.784 59.4 153.6 67.3 24.9 57.6 41.6 18.9 199 1305 A I - 0 0 89 -6,-1.8 2,-0.4 5,-0.0 -1,-0.3 -0.790 21.5-173.4 -88.9 124.2 56.5 41.2 22.5 200 1306 A F + 0 0 54 -2,-0.5 2,-0.2 -3,-0.1 -55,-0.1 -0.969 15.8 146.5-123.7 133.7 52.7 41.3 22.9 201 1307 A T >> - 0 0 60 -2,-0.4 3,-1.2 -57,-0.0 4,-0.7 -0.773 65.7 -82.4-141.6-172.5 50.6 41.3 26.1 202 1308 A S H 3> S+ 0 0 30 1,-0.3 4,-1.5 -2,-0.2 3,-0.3 0.782 126.4 66.9 -69.2 -24.3 47.3 42.9 27.2 203 1309 A K H 3> S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.689 90.3 65.7 -69.2 -15.8 49.3 46.1 27.8 204 1310 A T H <> S+ 0 0 1 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.941 102.5 45.3 -63.0 -49.5 49.8 46.1 24.0 205 1311 A D H X S+ 0 0 3 -4,-0.7 4,-2.5 -3,-0.3 -2,-0.2 0.816 106.4 60.6 -67.8 -30.5 46.0 46.6 23.6 206 1312 A T H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.929 106.0 46.9 -59.0 -45.7 46.1 49.3 26.3 207 1313 A W H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 3,-0.4 0.957 112.7 49.1 -60.8 -49.7 48.5 51.4 24.3 208 1314 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.870 106.7 56.5 -58.1 -38.8 46.4 50.9 21.1 209 1315 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.876 101.7 56.7 -63.7 -36.2 43.3 51.9 23.1 210 1316 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.4 -1,-0.2 0.892 108.2 47.3 -57.8 -40.3 44.9 55.2 24.0 211 1317 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.915 109.7 52.8 -69.9 -40.3 45.4 55.8 20.3 212 1318 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -63,-0.2 -2,-0.2 0.902 105.8 55.0 -57.8 -40.6 41.8 54.9 19.6 213 1319 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.902 107.8 48.8 -60.6 -40.3 40.8 57.4 22.3 214 1320 A W H X S+ 0 0 16 -4,-1.7 4,-1.9 2,-0.2 7,-0.3 0.921 110.1 51.7 -64.4 -43.1 42.7 60.1 20.4 215 1321 A E H <>S+ 0 0 0 -4,-2.5 5,-3.1 2,-0.2 6,-0.5 0.930 112.1 47.2 -56.1 -46.6 40.9 59.0 17.2 216 1322 A I H ><5S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.950 115.3 41.7 -63.1 -51.2 37.6 59.3 18.9 217 1323 A F H 3<5S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.672 111.6 55.3 -79.7 -12.9 38.1 62.7 20.5 218 1324 A S T 3<5S- 0 0 11 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.490 115.9-119.6 -84.8 -5.5 39.8 64.1 17.4 219 1325 A L T < 5S- 0 0 6 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.906 75.5 -34.5 63.9 44.4 36.6 63.0 15.6 220 1326 A G S S- 0 0 5 1,-0.1 3,-2.3 19,-0.1 8,-0.1 0.961 93.3-132.1 51.4 64.9 50.2 61.5 14.4 225 1331 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.148 82.3 5.6 -50.5 131.1 49.2 64.1 11.8 226 1332 A S T 3 S+ 0 0 123 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.369 103.0 118.8 77.5 -3.1 51.8 64.6 9.0 227 1333 A K < - 0 0 64 -3,-2.3 -1,-0.2 -4,-0.2 2,-0.1 -0.797 55.6-140.5 -97.9 136.7 54.0 61.7 10.4 228 1334 A S > - 0 0 56 -2,-0.4 4,-2.6 -3,-0.1 5,-0.2 -0.342 35.2 -97.0 -78.3 170.1 54.8 58.6 8.4 229 1335 A N H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.921 125.3 44.7 -54.7 -49.4 55.0 55.2 10.0 230 1336 A Q H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.862 111.6 53.4 -68.8 -33.8 58.8 55.3 10.4 231 1337 A E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 110.6 47.4 -65.4 -40.5 58.7 58.8 11.7 232 1338 A V H X S+ 0 0 3 -4,-2.6 4,-3.3 2,-0.2 5,-0.4 0.926 108.8 55.0 -64.0 -43.7 56.1 57.7 14.3 233 1339 A L H X S+ 0 0 44 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.931 113.9 39.9 -55.8 -46.8 58.2 54.7 15.3 234 1340 A E H X S+ 0 0 113 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.878 116.0 52.6 -71.9 -36.5 61.2 57.0 16.0 235 1341 A F H ><>S+ 0 0 66 -4,-2.4 5,-2.7 -5,-0.2 3,-0.6 0.971 114.4 39.7 -60.3 -57.8 59.0 59.6 17.6 236 1342 A V H ><5S+ 0 0 3 -4,-3.3 3,-1.6 1,-0.2 -2,-0.2 0.880 112.5 55.5 -63.6 -39.8 57.3 57.2 20.0 237 1343 A T H 3<5S+ 0 0 53 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.788 106.4 53.5 -64.2 -25.8 60.5 55.3 20.8 238 1344 A S T <<5S- 0 0 108 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.418 130.6 -93.5 -87.8 -0.9 62.1 58.6 21.8 239 1345 A G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.401 76.3 149.0 104.1 -1.5 59.4 59.4 24.2 240 1346 A G < - 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0 0 79 -3,-1.4 6,-0.1 1,-0.1 5,-0.1 -0.442 55.8-129.9 -61.9 137.0 53.4 54.9 29.3 262 1368 A H S S+ 0 0 88 -2,-0.1 -69,-0.3 4,-0.1 -1,-0.1 0.917 93.4 63.0 -58.2 -46.8 56.6 53.6 27.9 263 1369 A Q S > S- 0 0 80 1,-0.1 3,-1.8 -71,-0.1 4,-0.4 -0.697 79.9-142.2 -82.9 125.8 56.8 50.6 30.4 264 1370 A P G > S+ 0 0 30 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.848 100.2 60.2 -55.0 -36.0 53.9 48.2 29.9 265 1371 A E G 3 S+ 0 0 123 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.730 100.0 57.0 -66.6 -20.1 53.6 47.7 33.7 266 1372 A D G < S+ 0 0 99 -3,-1.8 -1,-0.3 -5,-0.1 -4,-0.1 0.513 89.5 93.1 -87.1 -6.2 53.0 51.4 34.1 267 1373 A R S < S- 0 0 5 -3,-1.6 -8,-0.2 -4,-0.4 2,-0.1 -0.662 82.1-111.2 -90.5 144.4 49.9 51.3 31.8 268 1374 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.392 24.0-124.8 -72.1 147.9 46.5 50.7 33.3 269 1375 A N > - 0 0 62 -2,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.308 37.6 -96.8 -77.5 175.3 44.5 47.5 32.7 270 1376 A F H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -133,-0.2 0.757 121.8 62.5 -76.5 -20.4 41.0 47.9 31.2 271 1377 A A H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 109.6 42.6 -60.8 -46.8 39.3 47.7 34.5 272 1378 A I H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 112.1 53.7 -65.7 -43.6 41.1 50.9 35.5 273 1379 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.927 108.8 49.5 -57.6 -44.2 40.5 52.5 32.1 274 1380 A L H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.911 108.6 53.1 -61.6 -42.3 36.8 51.9 32.5 275 1381 A E H X S+ 0 0 129 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.906 111.6 45.9 -56.7 -43.4 36.8 53.4 35.9 276 1382 A R H X S+ 0 0 88 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.852 111.7 50.0 -73.9 -35.3 38.5 56.5 34.6 277 1383 A I H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.914 110.4 51.6 -65.7 -42.3 36.2 56.8 31.6 278 1384 A E H X S+ 0 0 89 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.897 108.4 51.2 -60.8 -39.9 33.2 56.5 33.9 279 1385 A Y H >X S+ 0 0 169 -4,-1.9 4,-1.2 1,-0.2 3,-0.6 0.907 107.6 52.6 -64.4 -41.6 34.6 59.3 36.1 280 1386 A C H 3< S+ 0 0 7 -4,-1.9 7,-0.4 1,-0.2 3,-0.2 0.855 105.9 54.7 -60.0 -35.6 35.0 61.5 33.1 281 1387 A T H 3< S+ 0 0 23 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.731 107.7 49.8 -74.6 -21.6 31.3 60.9 32.2 282 1388 A Q H << S+ 0 0 137 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.728 89.2 95.8 -82.0 -25.2 30.2 62.0 35.6 283 1389 A D >X - 0 0 49 -4,-1.2 4,-2.1 -3,-0.2 3,-1.1 -0.552 61.8-157.5 -78.4 110.1 32.2 65.2 35.5 284 1390 A P H 3> S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.844 92.1 57.4 -56.3 -34.3 30.0 68.1 34.3 285 1391 A D H 34 S+ 0 0 127 2,-0.2 -2,-0.1 1,-0.2 -5,-0.0 0.816 109.7 46.0 -69.4 -28.4 33.0 70.2 33.2 286 1392 A V H X4 S+ 0 0 2 -3,-1.1 3,-1.7 -6,-0.2 -1,-0.2 0.970 117.0 39.9 -72.2 -57.0 34.0 67.3 30.9 287 1393 A I H 3< S+ 0 0 52 -4,-2.1 -164,-0.4 -7,-0.4 -165,-0.4 0.689 111.2 58.2 -74.6 -16.4 30.7 66.5 29.3 288 1394 A N T 3< S+ 0 0 128 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.3 0.393 80.1 113.8 -89.5 3.7 29.7 70.2 29.0 289 1395 A T < - 0 0 46 -3,-1.7 -167,-0.5 -5,-0.1 2,-0.3 -0.625 69.0-127.3 -75.9 127.0 32.7 70.9 26.9 290 1396 A A - 0 0 74 -2,-0.4 -169,-0.1 -169,-0.1 3,-0.1 -0.541 15.7-130.1 -77.2 136.2 31.8 71.8 23.3 291 1397 A L - 0 0 16 -171,-0.3 -44,-0.1 -2,-0.3 -1,-0.1 -0.509 37.6 -91.4 -76.1 152.4 33.3 69.9 20.4 292 1398 A P - 0 0 30 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.296 34.9-127.2 -61.5 148.2 34.8 72.0 17.6 293 1399 A I - 0 0 98 -182,-0.1 2,-0.7 -3,-0.1 -180,-0.2 -0.902 16.7-137.3 -98.6 121.7 32.6 72.9 14.7 294 1400 A E 0 0 54 -182,-3.0 0, 0.0 -2,-0.6 0, 0.0 -0.686 360.0 360.0 -79.3 116.5 34.1 71.9 11.4 295 1401 A Y 0 0 248 -2,-0.7 -1,-0.0 -182,-0.2 -182,-0.0 -0.349 360.0 360.0 -72.6 360.0 33.4 74.8 9.1