==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-MAR-13 4JOA . COMPND 2 MOLECULE: ALK TYROSINE KINASE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HOSAHALLI,N.R.KRISHNAMURTHY,A.LAKSHMINARASIMHAN . 250 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 12.4 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 2 1 0 0 1 0 0 0 1 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 1 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 . 0 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 1107 A D 0 0 191 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.6 5.3 34.0 36.7 2 1108 A L - 0 0 33 1,-0.1 2,-1.1 56,-0.0 56,-0.1 -0.513 360.0 -98.4 -79.0 147.5 3.9 30.8 38.3 3 1109 A K - 0 0 68 -2,-0.2 56,-1.8 54,-0.1 2,-0.6 -0.534 36.3-149.9 -70.1 98.4 0.2 30.7 39.1 4 1110 A E B -a 59 0A 85 -2,-1.1 56,-0.2 54,-0.2 -1,-0.1 -0.619 13.2-159.6 -70.8 114.2 0.1 31.5 42.9 5 1111 A V - 0 0 22 54,-2.9 57,-0.2 -2,-0.6 5,-0.1 -0.840 24.8-104.1-101.1 131.8 -3.0 29.6 44.2 6 1112 A P >> - 0 0 67 0, 0.0 3,-1.1 0, 0.0 4,-0.7 -0.255 15.5-135.8 -58.3 136.6 -4.5 30.8 47.5 7 1113 A R G >4 S+ 0 0 58 1,-0.3 3,-0.7 2,-0.2 53,-0.0 0.814 104.0 68.4 -58.4 -32.6 -3.7 28.6 50.6 8 1114 A K G 34 S+ 0 0 180 1,-0.2 -1,-0.3 16,-0.0 17,-0.0 0.846 101.0 46.4 -53.3 -38.5 -7.4 29.0 51.5 9 1115 A N G <4 S+ 0 0 39 -3,-1.1 16,-1.5 15,-0.1 2,-0.4 0.687 99.3 86.4 -79.1 -19.4 -8.3 26.8 48.5 10 1116 A I E << +B 24 0A 11 -4,-0.7 2,-0.4 -3,-0.7 14,-0.2 -0.701 51.4 173.8 -91.6 131.7 -5.6 24.2 49.3 11 1117 A T E -B 23 0A 81 12,-1.9 12,-2.0 -2,-0.4 2,-0.6 -0.997 27.1-132.6-134.9 139.1 -6.3 21.3 51.7 12 1118 A L E +B 22 0A 71 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.830 25.7 174.1 -96.0 120.2 -4.1 18.3 52.5 13 1119 A I E - 0 0 78 8,-2.4 2,-0.3 -2,-0.6 9,-0.2 0.919 57.6 -6.7 -90.6 -51.9 -5.9 15.0 52.4 14 1120 A R E -B 21 0A 143 7,-1.3 7,-4.3 0, 0.0 2,-0.6 -0.997 62.7-110.1-153.4 144.5 -3.4 12.2 52.8 15 1121 A G E +B 20 0A 52 -2,-0.3 5,-0.2 5,-0.2 7,-0.0 -0.726 34.3 175.4 -79.2 119.3 0.4 11.6 53.1 16 1122 A L 0 0 95 3,-2.2 4,-0.2 -2,-0.6 -1,-0.2 0.928 360.0 360.0 -89.1 -58.8 1.5 9.7 50.0 17 1123 A G 0 0 101 2,-1.4 3,-0.1 59,-0.0 -2,-0.1 0.516 360.0 360.0-126.1 360.0 5.3 9.5 50.3 18 ! 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 19 1130 A V 0 0 44 0, 0.0 -3,-2.2 0, 0.0 -2,-1.4 0.000 360.0 360.0 360.0 52.0 4.7 14.4 49.6 20 1131 A Y E -BC 15 31A 97 11,-3.3 11,-2.9 -5,-0.2 2,-0.4 -0.797 360.0-124.1-119.9 151.4 0.9 14.8 50.1 21 1132 A E E -BC 14 30A 20 -7,-4.3 -8,-2.4 -2,-0.3 -7,-1.3 -0.778 49.5-179.8 -82.1 133.2 -2.4 13.9 48.4 22 1133 A G E -BC 12 29A 0 7,-3.4 7,-2.4 -2,-0.4 2,-0.3 -0.854 28.1-150.1-139.1 167.6 -4.3 17.2 48.0 23 1134 A Q E -BC 11 28A 87 -12,-2.0 -12,-1.9 -2,-0.3 2,-0.4 -0.972 5.4-158.2-135.7 152.7 -7.4 19.1 46.8 24 1135 A V E B 10 0A 24 3,-1.1 -14,-0.2 -2,-0.3 -15,-0.1 -0.998 360.0 360.0-132.7 129.2 -8.0 22.6 45.4 25 1136 A S 0 0 110 -16,-1.5 -16,-0.0 -2,-0.4 -15,-0.0 -0.527 360.0 360.0 -73.8 360.0 -11.5 24.2 45.5 26 ! 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 27 1145 A L 0 0 131 0, 0.0 -3,-1.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 111.7 -9.5 19.0 41.6 28 1146 A Q E +C 23 0A 77 -5,-0.2 44,-0.6 44,-0.1 2,-0.2 -0.582 360.0 165.3 -75.6 119.1 -7.3 16.2 43.1 29 1147 A V E -CD 22 71A 1 -7,-2.4 -7,-3.4 -2,-0.5 2,-0.4 -0.789 36.7-116.7-127.5 170.8 -3.6 17.2 43.1 30 1148 A A E -CD 21 70A 18 40,-2.9 40,-2.7 -2,-0.2 2,-0.5 -0.944 27.2-150.2-110.0 133.3 -0.3 16.2 44.7 31 1149 A V E -CD 20 69A 4 -11,-2.9 -11,-3.3 -2,-0.4 2,-0.5 -0.894 8.2-165.5-109.6 131.0 1.4 18.6 47.1 32 1150 A K E - D 0 68A 109 36,-1.9 36,-1.2 -2,-0.5 2,-0.2 -0.977 18.3-156.9-111.9 123.6 5.1 18.8 47.6 33 1151 A T E - D 0 67A 39 -2,-0.5 34,-0.2 34,-0.2 33,-0.1 -0.660 10.4-141.7-104.7 156.4 6.1 20.8 50.7 34 1152 A L 0 0 71 32,-1.3 32,-0.4 -2,-0.2 -2,-0.0 -0.976 360.0 360.0-114.9 122.5 9.3 22.6 51.8 35 1153 A P 0 0 166 0, 0.0 -1,-0.1 0, 0.0 29,-0.0 0.536 360.0 360.0 -62.7 360.0 10.5 22.5 55.4 36 ! 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 37 1163 A D > 0 0 138 0, 0.0 4,-0.6 0, 0.0 107,-0.0 0.000 360.0 360.0 360.0 -48.5 16.3 25.9 45.0 38 1164 A F H > + 0 0 27 2,-0.2 4,-0.9 1,-0.1 3,-0.2 0.719 360.0 63.9 -98.8 -31.3 12.7 24.9 45.4 39 1165 A L H > S+ 0 0 131 1,-0.2 4,-1.3 2,-0.1 3,-0.3 0.978 107.7 51.7 -49.8 -32.7 11.4 27.9 43.9 40 1166 A M H > S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.686 93.7 59.7-102.4 3.8 13.2 26.5 40.8 41 1167 A E H X S+ 0 0 27 -4,-0.6 4,-2.4 -3,-0.2 -1,-0.2 0.945 109.9 47.3 -75.1 -38.2 12.2 22.9 40.3 42 1168 A A H X S+ 0 0 1 -4,-0.9 4,-2.9 -3,-0.3 -2,-0.2 0.870 108.0 55.4 -63.6 -40.9 8.6 24.1 39.9 43 1169 A L H X S+ 0 0 49 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.865 111.2 45.7 -61.1 -37.8 9.7 26.8 37.5 44 1170 A I H < S+ 0 0 15 -4,-1.4 4,-0.3 2,-0.2 3,-0.2 0.926 116.0 43.3 -68.7 -49.8 11.5 24.2 35.3 45 1171 A I H >< S+ 0 0 8 -4,-2.4 3,-1.3 1,-0.2 11,-0.3 0.870 109.5 59.9 -65.6 -38.3 8.5 21.7 35.4 46 1172 A S H 3< S+ 0 0 51 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 98.7 57.4 -55.3 -39.8 6.1 24.6 34.8 47 1173 A K T 3< S+ 0 0 148 -4,-1.1 2,-0.3 -3,-0.2 -1,-0.2 0.558 90.0 91.5 -74.9 -8.2 7.8 25.5 31.5 48 1174 A F < - 0 0 27 -3,-1.3 2,-0.3 -4,-0.3 8,-0.2 -0.696 52.1-172.0 -90.6 143.5 7.2 22.0 30.0 49 1175 A N + 0 0 119 -2,-0.3 2,-0.3 6,-0.1 -3,-0.1 -0.746 39.4 114.8-134.6 80.9 4.1 21.2 28.0 50 1176 A H > - 0 0 27 3,-0.3 3,-1.4 -2,-0.3 -2,-0.1 -0.987 64.4-127.7-155.3 143.9 3.9 17.5 27.3 51 1177 A Q T 3 S+ 0 0 109 -2,-0.3 4,-0.1 1,-0.3 54,-0.1 0.658 106.9 56.0 -68.3 -19.0 1.7 14.5 28.3 52 1178 A N T 3 S+ 0 0 6 84,-0.1 85,-2.2 2,-0.1 2,-0.4 0.024 97.3 72.5-105.1 25.2 4.6 12.4 29.5 53 1179 A I B < S-f 137 0B 2 -3,-1.4 -3,-0.3 83,-0.3 85,-0.2 -0.989 93.9-104.9-136.4 128.1 5.8 14.9 32.0 54 1180 A V - 0 0 5 83,-1.1 2,-0.2 -2,-0.4 -6,-0.1 -0.206 38.8-121.0 -53.8 138.5 3.9 15.7 35.2 55 1181 A R - 0 0 90 -4,-0.1 16,-2.4 -6,-0.1 2,-0.8 -0.557 9.5-132.1 -82.0 145.4 2.0 19.0 35.1 56 1182 A C E - E 0 70A 29 -11,-0.3 14,-0.3 -8,-0.2 3,-0.1 -0.895 20.9-173.9 -95.1 109.6 2.6 21.8 37.6 57 1183 A I E - 0 0 68 12,-1.3 2,-0.3 -2,-0.8 13,-0.2 0.927 54.4 -69.2 -70.0 -47.0 -0.8 22.9 38.7 58 1184 A G E - E 0 69A 5 11,-1.4 11,-3.0 -3,-0.1 2,-0.3 -0.959 45.6-101.7 178.9-164.7 0.4 25.8 40.7 59 1185 A V E -aE 4 68A 15 -56,-1.8 -54,-2.9 -2,-0.3 9,-0.2 -0.948 2.5-150.9-143.1 161.4 2.3 27.0 43.8 60 1186 A S E + E 0 67A 0 7,-1.9 7,-1.4 -2,-0.3 -56,-0.1 -0.605 38.6 142.7-134.6 73.2 1.7 28.4 47.3 61 1187 A L + 0 0 63 5,-0.2 5,-0.1 -2,-0.2 -1,-0.1 0.470 59.2 78.1 -90.2 -4.9 4.7 30.6 48.2 62 1188 A Q S S+ 0 0 80 -57,-0.2 -1,-0.1 -3,-0.1 4,-0.1 0.983 99.2 32.9 -65.5 -59.9 2.5 33.1 50.0 63 1189 A S S S- 0 0 53 2,-0.1 4,-0.2 4,-0.0 -3,-0.1 -0.287 97.7 -78.3 -88.0 175.7 2.1 31.1 53.3 64 1190 A L S S+ 0 0 91 1,-0.1 2,-0.1 2,-0.1 -3,-0.1 -0.991 105.8 45.7-125.7 138.7 4.5 28.7 55.0 65 1191 A P S S- 0 0 67 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.401 95.4-128.1 -77.9 146.1 5.3 25.8 54.5 66 1192 A R - 0 0 21 -32,-0.4 -32,-1.3 -2,-0.1 2,-0.3 -0.388 26.8-156.9 -67.4 133.7 5.7 26.6 50.8 67 1193 A F E -DE 33 60A 13 -7,-1.4 -7,-1.9 -34,-0.2 2,-0.4 -0.708 16.8-157.9-105.2 159.0 3.8 24.2 48.4 68 1194 A I E -DE 32 59A 9 -36,-1.2 -36,-1.9 -2,-0.3 2,-0.5 -0.971 20.1-143.6-128.0 124.2 4.1 23.2 44.8 69 1195 A L E +DE 31 58A 0 -11,-3.0 -11,-1.4 -2,-0.4 -12,-1.3 -0.759 28.2 176.3 -90.0 129.2 0.8 21.8 43.3 70 1196 A L E -DE 30 56A 32 -40,-2.7 -40,-2.9 -2,-0.5 2,-0.3 -0.871 39.3 -80.6-134.5 159.4 1.4 18.9 40.9 71 1197 A E E -D 29 0A 36 -16,-2.4 2,-0.4 -2,-0.3 -42,-0.1 -0.457 53.8-116.0 -60.6 122.3 -0.5 16.4 38.7 72 1198 A L - 0 0 39 -44,-0.6 2,-0.7 -2,-0.3 -1,-0.1 -0.485 27.4-167.6 -67.2 120.2 -1.6 13.6 41.0 73 1199 A M > - 0 0 15 -2,-0.4 3,-2.1 1,-0.1 53,-0.3 -0.828 3.0-174.2-110.2 89.3 0.1 10.3 39.9 74 1200 A A T 3 S+ 0 0 73 53,-1.6 54,-0.2 -2,-0.7 53,-0.2 0.703 77.7 64.1 -60.8 -23.2 -1.9 7.7 41.9 75 1201 A G T 3 S- 0 0 15 51,-2.4 -1,-0.3 52,-0.4 52,-0.2 0.518 94.6-148.7 -79.7 -7.0 0.4 4.9 40.7 76 1202 A G E < -G 126 0B 30 -3,-2.1 50,-2.0 50,-0.6 -1,-0.2 -0.167 47.0 -14.0 69.5-165.8 3.5 6.3 42.5 77 1203 A D E > -G 125 0B 43 48,-0.2 4,-1.3 1,-0.1 48,-0.3 -0.269 60.2-125.6 -69.8 156.4 7.1 5.9 41.3 78 1204 A L H > S+ 0 0 0 46,-2.5 4,-2.3 43,-1.1 44,-0.2 0.822 105.2 59.7 -73.7 -35.3 7.9 3.4 38.6 79 1205 A K H > S+ 0 0 31 42,-1.0 4,-1.8 45,-0.3 -1,-0.2 0.950 110.3 41.6 -55.8 -52.4 10.7 1.6 40.6 80 1206 A S H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.804 111.8 56.6 -68.4 -31.8 8.2 0.7 43.4 81 1207 A F H X S+ 0 0 13 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.955 107.0 47.3 -65.1 -52.4 5.5 -0.3 40.9 82 1208 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.921 115.9 46.7 -51.9 -50.0 7.6 -2.8 39.1 83 1209 A R H >< S+ 0 0 160 -4,-1.8 3,-1.2 -5,-0.2 -2,-0.2 0.961 117.5 40.4 -56.8 -56.9 8.7 -4.3 42.4 84 1210 A E H 3< S+ 0 0 160 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.783 117.8 48.1 -68.4 -28.4 5.2 -4.5 43.9 85 1211 A T T 3< S+ 0 0 56 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 -0.029 78.6 139.6-103.7 29.7 3.5 -5.6 40.7 86 1212 A R < - 0 0 80 -3,-1.2 -3,-0.1 1,-0.1 -4,-0.0 -0.611 64.0 -99.9 -77.1 126.1 6.1 -8.4 40.0 87 1213 A P 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.165 360.0 360.0 -47.3 133.6 4.4 -11.6 38.6 88 1214 A R 0 0 149 -3,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.749 360.0 360.0-152.4 360.0 3.9 -14.3 41.3 89 ! 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 90 1221 A L 0 0 72 0, 0.0 165,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 127.1 1.5 -7.7 34.0 91 1222 A A > - 0 0 48 163,-0.1 4,-1.1 1,-0.1 3,-0.4 -0.620 360.0-103.8-117.2 172.4 2.7 -8.3 30.4 92 1223 A M H > S+ 0 0 5 159,-0.5 4,-1.9 161,-0.4 3,-0.2 0.840 118.5 58.3 -65.3 -34.3 5.6 -7.4 28.2 93 1224 A L H > S+ 0 0 50 158,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.791 99.2 58.8 -68.1 -28.5 3.5 -4.8 26.3 94 1225 A D H > S+ 0 0 39 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.880 107.5 47.0 -64.2 -39.2 2.8 -3.0 29.6 95 1226 A L H X S+ 0 0 4 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.879 110.7 52.2 -66.6 -41.8 6.6 -2.6 29.9 96 1227 A L H X S+ 0 0 3 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.859 108.7 49.6 -65.2 -38.0 6.9 -1.4 26.3 97 1228 A H H X S+ 0 0 70 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.933 110.8 49.7 -66.6 -45.3 4.2 1.2 26.9 98 1229 A V H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.943 113.4 47.1 -54.3 -49.1 6.0 2.5 30.0 99 1230 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.933 113.3 47.6 -58.6 -49.7 9.2 2.6 27.9 100 1231 A R H X S+ 0 0 62 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.920 108.7 56.2 -55.6 -46.5 7.5 4.4 25.1 101 1232 A D H X S+ 0 0 8 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.909 112.1 39.9 -56.3 -46.9 5.9 6.9 27.5 102 1233 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.835 112.4 57.1 -73.8 -32.8 9.2 8.0 29.0 103 1234 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.881 106.0 50.4 -63.8 -39.4 10.9 7.9 25.6 104 1235 A C H X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.939 111.9 47.4 -60.7 -50.1 8.2 10.4 24.3 105 1236 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.896 112.9 48.9 -57.5 -43.4 8.9 12.7 27.3 106 1237 A C H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.877 109.1 52.4 -65.1 -39.1 12.7 12.4 26.7 107 1238 A Q H X S+ 0 0 49 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.912 108.1 52.3 -60.8 -42.1 12.1 13.2 23.0 108 1239 A Y H X S+ 0 0 27 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.906 111.5 45.6 -60.6 -44.3 10.2 16.3 24.1 109 1240 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 -2,-0.2 0.926 113.4 50.5 -61.9 -44.9 13.1 17.3 26.4 110 1241 A E H ><5S+ 0 0 47 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.907 108.9 50.4 -61.3 -46.3 15.6 16.6 23.5 111 1242 A E H 3<5S+ 0 0 120 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 113.8 46.9 -57.2 -35.7 13.6 18.6 21.0 112 1243 A N T 3<5S- 0 0 84 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.219 114.1-118.2 -95.9 12.7 13.6 21.5 23.6 113 1244 A H T < 5 + 0 0 166 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.836 66.0 141.2 55.6 38.8 17.3 21.1 24.3 114 1245 A F < - 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0 0 24 -3,-1.0 13,-0.1 -4,-0.3 12,-0.1 -0.739 68.9-130.8-102.1 138.8 25.7 7.9 33.8 157 1297 A P > - 0 0 2 0, 0.0 3,-2.2 0, 0.0 69,-0.1 -0.411 36.2 -99.5 -76.5 161.8 27.9 7.5 30.7 158 1298 A P T 3 S+ 0 0 37 0, 0.0 43,-0.1 0, 0.0 69,-0.1 0.884 120.5 55.6 -50.0 -52.9 31.7 7.6 30.9 159 1299 A E T 3 0 0 49 67,-0.3 4,-3.0 3,-0.1 9,-0.1 0.497 360.0 360.0 -64.7 -3.7 32.1 11.2 29.8 160 1300 A A < 0 0 28 -3,-2.2 3,-0.1 2,-0.3 4,-0.1 -0.748 360.0 360.0 -91.4 360.0 29.7 12.3 32.6 161 ! 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 0.0 162 1304 A G 0 0 95 0, 0.0 -2,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 41.8 32.2 15.5 33.3 163 1305 A I - 0 0 51 -4,-3.0 2,-0.4 -3,-0.1 0, 0.0 -0.446 360.0-159.2 -84.5 149.2 30.3 16.3 30.0 164 1306 A F + 0 0 73 -2,-0.1 2,-0.2 -4,-0.1 -49,-0.0 -0.992 19.5 154.6-135.5 127.2 26.6 16.3 29.6 165 1307 A T > - 0 0 64 -2,-0.4 4,-0.8 1,-0.0 3,-0.2 -0.601 61.3 -92.3-129.8-175.4 24.6 16.0 26.3 166 1308 A S H > S+ 0 0 27 -2,-0.2 4,-1.2 1,-0.2 -50,-0.1 0.721 127.9 63.4 -71.2 -25.1 21.2 14.8 25.1 167 1309 A K H > S+ 0 0 42 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.649 90.6 66.0 -71.8 -16.4 23.1 11.6 24.5 168 1310 A T H >> S+ 0 0 1 -3,-0.2 4,-2.0 2,-0.2 3,-0.6 0.972 101.8 46.5 -60.4 -54.8 23.7 11.5 28.3 169 1311 A D H 3X S+ 0 0 3 -4,-0.8 4,-2.2 1,-0.3 -2,-0.2 0.801 106.2 60.7 -58.9 -32.7 19.9 11.0 28.7 170 1312 A T H 3X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.905 105.8 47.2 -59.0 -44.1 20.1 8.3 26.0 171 1313 A W H S+ 0 0 2 -4,-2.4 5,-3.1 1,-0.2 4,-0.8 0.906 110.4 47.5 -50.3 -46.8 15.2 -1.4 35.2 180 1322 A I H ><5S+ 0 0 0 -4,-2.5 3,-0.7 3,-0.2 -2,-0.2 0.956 116.5 39.9 -62.3 -53.4 11.8 -1.8 33.4 181 1323 A F H 3<5S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.619 113.4 54.1 -81.4 -11.3 12.5 -5.2 31.9 182 1324 A S H 3<5S- 0 0 8 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.650 115.8-120.5 -80.8 -19.5 14.3 -6.5 35.0 183 1325 A L T <<5S- 0 0 2 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.892 74.3 -34.8 74.4 48.0 11.1 -5.5 36.9 184 1326 A G S S- 0 0 8 2,-0.1 3,-3.3 1,-0.1 8,-0.1 0.921 90.9-153.7 46.5 56.2 24.8 -3.8 38.1 189 1331 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.637 81.7 30.1 -35.6 -50.9 23.1 -5.7 41.0 190 1332 A S T 3 S+ 0 0 109 2,-0.1 2,-0.3 -4,-0.0 -2,-0.1 0.209 104.8 94.0 -99.2 13.8 26.2 -6.9 42.9 191 1333 A K < - 0 0 67 -3,-3.3 2,-0.2 -4,-0.2 0, 0.0 -0.852 63.7-137.8-112.1 144.4 28.5 -3.9 42.0 192 1334 A S >> - 0 0 56 -2,-0.3 4,-3.1 1,-0.1 3,-0.6 -0.525 37.2 -95.2 -91.7 164.2 29.2 -0.7 43.8 193 1335 A N H 3> S+ 0 0 53 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.839 126.4 45.7 -44.9 -46.1 29.4 2.8 42.2 194 1336 A Q H 3> S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.830 113.2 49.3 -71.9 -34.3 33.2 2.6 41.9 195 1337 A E H <> S+ 0 0 102 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.933 113.3 46.8 -67.6 -46.5 33.1 -0.9 40.5 196 1338 A V H X S+ 0 0 1 -4,-3.1 4,-3.3 2,-0.2 5,-0.3 0.901 108.4 57.4 -58.4 -44.8 30.5 0.1 38.0 197 1339 A L H X S+ 0 0 75 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.929 114.7 35.7 -51.9 -51.0 32.6 3.2 37.1 198 1340 A E H X S+ 0 0 110 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.829 116.0 55.7 -76.3 -33.6 35.6 1.1 36.2 199 1341 A F H <>S+ 0 0 65 -4,-2.7 5,-2.5 2,-0.2 4,-0.5 0.938 112.7 41.4 -61.9 -49.8 33.5 -1.8 34.7 200 1342 A V H ><5S+ 0 0 8 -4,-3.3 3,-1.9 1,-0.2 -2,-0.2 0.937 111.8 55.4 -63.2 -48.5 31.7 0.6 32.3 201 1343 A T H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.809 106.1 52.4 -57.3 -32.3 35.0 2.5 31.5 202 1344 A S T 3<5S- 0 0 111 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.612 129.5 -95.7 -77.7 -13.4 36.6 -0.8 30.5 203 1345 A G T < 5S+ 0 0 43 -3,-1.9 -3,-0.2 -4,-0.5 2,-0.2 0.350 74.2 148.8 112.7 -2.2 33.7 -1.6 28.1 204 1346 A G < - 0 0 16 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.3 -0.422 21.2-177.1 -69.9 137.3 31.6 -3.8 30.4 205 1347 A R - 0 0 58 -2,-0.2 2,-0.2 -17,-0.0 16,-0.0 -0.879 30.9 -90.6-132.2 161.7 27.8 -3.7 30.0 206 1348 A M - 0 0 11 -2,-0.3 -28,-0.0 1,-0.1 0, 0.0 -0.480 40.1-119.9 -76.0 142.4 24.9 -5.3 31.8 207 1349 A D - 0 0 126 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.178 47.0 -74.6 -68.7 166.4 23.6 -8.7 30.6 208 1350 A P - 0 0 70 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.428 53.7-111.0 -60.0 139.1 20.0 -9.0 29.4 209 1351 A P > - 0 0 6 0, 0.0 3,-2.4 0, 0.0 -27,-0.1 -0.381 57.0 -67.9 -64.6 156.7 17.4 -8.9 32.2 210 1352 A K T 3 S- 0 0 161 1,-0.3 0, 0.0 -28,-0.1 0, 0.0 -0.176 119.8 -1.4 -53.3 131.5 15.7 -12.3 32.8 211 1353 A N T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.1 -29,-0.1 0.506 91.0 157.1 66.1 9.9 13.4 -13.2 29.9 212 1354 A C < - 0 0 19 -3,-2.4 -1,-0.2 1,-0.1 38,-0.0 -0.474 44.0-119.1 -71.0 126.0 14.2 -10.0 28.0 213 1355 A P > - 0 0 13 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.350 19.0-120.4 -61.0 145.4 13.6 -10.2 24.2 214 1356 A G H > S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 110.3 57.0 -52.0 -49.8 16.7 -9.6 22.0 215 1357 A P H > S+ 0 0 34 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.880 109.3 45.8 -50.5 -44.3 15.2 -6.6 20.2 216 1358 A V H >> S+ 0 0 2 -3,-0.4 4,-1.6 2,-0.2 3,-0.6 0.908 112.6 49.5 -67.7 -43.7 14.6 -4.8 23.5 217 1359 A Y H 3X S+ 0 0 45 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.862 104.3 60.4 -62.5 -36.3 18.1 -5.6 24.8 218 1360 A R H 3X S+ 0 0 146 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.811 102.4 52.2 -61.4 -29.6 19.5 -4.4 21.4 219 1361 A I H < S+ 0 0 50 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.706 109.2 60.2 -78.5 -19.4 23.1 0.9 21.5 223 1365 A C H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 105.3 51.0 -65.3 -34.5 22.0 3.3 24.2 224 1366 A W T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.110 77.6 142.8 -92.7 21.8 25.2 2.2 26.0 225 1367 A Q < - 0 0 81 -3,-0.9 6,-0.1 1,-0.1 -3,-0.1 -0.365 54.3-131.0 -62.4 141.0 27.5 2.8 23.1 226 1368 A H S S+ 0 0 81 4,-0.1 -67,-0.3 -69,-0.1 -1,-0.1 0.957 93.1 59.7 -61.9 -51.9 30.8 4.2 24.4 227 1369 A Q S >> S- 0 0 94 1,-0.1 3,-1.3 -69,-0.1 4,-0.5 -0.655 81.3-141.9 -80.9 127.6 31.0 7.1 22.0 228 1370 A P G >4 S+ 0 0 25 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.880 96.7 59.5 -58.4 -43.5 28.0 9.5 22.4 229 1371 A E G 34 S+ 0 0 128 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.651 101.3 57.4 -63.0 -15.7 27.5 10.2 18.6 230 1372 A D G <4 S+ 0 0 101 -3,-1.3 -1,-0.3 2,-0.1 -4,-0.1 0.639 89.7 89.9 -86.3 -18.1 27.0 6.5 18.0 231 1373 A R S << S- 0 0 5 -3,-1.7 -8,-0.2 -4,-0.5 2,-0.1 -0.484 85.2-108.0 -75.3 152.0 24.1 6.3 20.4 232 1374 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.479 22.8-122.2 -81.0 149.9 20.6 6.9 19.0 233 1375 A N > - 0 0 52 -2,-0.1 4,-1.7 1,-0.1 -126,-0.1 -0.221 38.8 -97.8 -71.1 177.0 18.5 10.0 19.6 234 1376 A F H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.730 120.4 62.7 -78.6 -20.2 15.1 9.5 21.2 235 1377 A A H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 109.1 42.4 -64.6 -46.9 13.2 9.6 17.9 236 1378 A I H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.887 112.5 54.5 -64.1 -40.7 15.1 6.5 16.8 237 1379 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.934 111.2 44.4 -60.1 -46.6 14.6 5.0 20.2 238 1380 A L H X S+ 0 0 18 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.941 110.9 54.1 -60.7 -51.6 10.8 5.5 20.0 239 1381 A E H X S+ 0 0 137 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.889 113.0 44.0 -45.1 -47.1 10.8 4.2 16.4 240 1382 A R H X S+ 0 0 85 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.847 111.6 51.4 -72.8 -37.5 12.6 1.1 17.7 241 1383 A I H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.863 110.0 52.0 -63.9 -36.1 10.4 0.7 20.8 242 1384 A E H X S+ 0 0 82 -4,-3.1 4,-0.7 2,-0.2 -2,-0.2 0.842 106.2 53.9 -67.8 -34.8 7.5 0.9 18.3 243 1385 A Y H X S+ 0 0 167 -4,-1.4 4,-1.8 -5,-0.2 3,-0.5 0.891 108.1 49.0 -65.9 -41.1 9.1 -1.8 16.2 244 1386 A C H < S+ 0 0 5 -4,-1.9 7,-0.4 1,-0.2 6,-0.2 0.875 107.5 55.7 -61.6 -39.3 9.2 -4.1 19.3 245 1387 A T H < S+ 0 0 37 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.667 108.8 47.9 -69.4 -19.2 5.6 -3.2 20.0 246 1388 A Q H < S+ 0 0 136 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.791 94.8 88.0 -84.8 -33.8 4.8 -4.5 16.4 247 1389 A D X - 0 0 46 -4,-1.8 4,-1.7 1,-0.2 5,-0.1 -0.509 59.7-165.0 -70.2 121.9 6.9 -7.7 17.0 248 1390 A P H > S+ 0 0 71 0, 0.0 4,-4.0 0, 0.0 5,-0.3 0.815 87.5 62.2 -77.3 -31.3 4.7 -10.5 18.5 249 1391 A D H 4 S+ 0 0 129 2,-0.2 4,-0.4 1,-0.2 -2,-0.1 0.835 109.7 44.2 -60.0 -33.0 7.7 -12.6 19.5 250 1392 A V H >4 S+ 0 0 2 -6,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.953 119.5 40.6 -68.9 -53.3 8.6 -9.7 21.7 251 1393 A I H 3< S+ 0 0 44 -4,-1.7 -159,-0.5 -7,-0.4 -158,-0.4 0.811 111.8 53.7 -72.2 -35.3 5.1 -9.1 23.0 252 1394 A N T 3< S+ 0 0 130 -4,-4.0 -1,-0.2 -160,-0.1 2,-0.2 0.608 81.8 114.7 -75.0 -11.8 4.1 -12.8 23.5 253 1395 A T < - 0 0 48 -3,-0.7 -161,-0.4 -4,-0.4 2,-0.2 -0.425 68.4-126.2 -64.7 127.2 7.2 -13.4 25.7 254 1396 A A - 0 0 72 -2,-0.2 -1,-0.1 -163,-0.1 -163,-0.1 -0.543 19.8-121.1 -79.1 136.9 6.2 -14.3 29.3 255 1397 A L 0 0 28 -165,-0.3 -44,-0.1 -2,-0.2 -1,-0.1 -0.273 360.0 360.0 -67.8 159.1 7.7 -12.3 32.1 256 1398 A P 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -46,-0.0 -0.345 360.0 360.0 -71.2 360.0 9.7 -14.1 34.9