==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-FEB-12 4DTK . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.D.FERGUSON . 273 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 2 0 2 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 1 1 2 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 . 2 0 1 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 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 33 A P > 0 0 109 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-156.8 32.5 -26.3 13.6 2 34 A L H > + 0 0 15 1,-0.2 4,-1.2 2,-0.2 3,-0.0 0.935 360.0 53.2 -65.2 -49.4 30.6 -27.8 10.6 3 35 A E H 4 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.787 111.7 44.5 -58.4 -36.1 33.5 -27.3 8.1 4 36 A S H 4 S+ 0 0 76 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.859 112.3 52.3 -77.9 -37.7 36.0 -29.1 10.3 5 37 A Q H < S+ 0 0 77 -4,-1.5 21,-2.3 1,-0.1 22,-0.4 0.626 110.0 49.7 -71.2 -23.2 33.6 -32.1 11.1 6 38 A Y E < -A 25 0A 10 -4,-1.2 2,-0.6 19,-0.2 19,-0.2 -0.986 64.3-147.1-132.1 134.8 32.7 -32.9 7.5 7 39 A Q E -A 24 0A 126 17,-2.7 17,-1.8 -2,-0.4 2,-0.4 -0.876 31.0-137.2 -94.0 117.0 34.6 -33.5 4.2 8 40 A V E +A 23 0A 93 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.681 26.7 178.2 -83.4 131.5 32.4 -32.1 1.4 9 41 A G E - 0 0 33 13,-3.3 3,-0.1 -2,-0.4 -1,-0.1 -0.145 40.5 -32.4-109.9-153.4 32.1 -34.2 -1.7 10 42 A P E - 0 0 97 0, 0.0 12,-3.1 0, 0.0 2,-0.3 -0.264 64.6 -98.3 -71.3 155.9 30.1 -33.8 -5.0 11 43 A L E -A 21 0A 91 10,-0.3 10,-0.3 1,-0.2 3,-0.1 -0.539 32.9-170.2 -67.1 125.5 26.7 -32.1 -5.4 12 44 A L E - 0 0 102 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.741 60.0 -40.7 -90.2 -29.7 24.1 -34.9 -5.4 13 45 A G E -A 20 0A 25 7,-1.5 7,-3.2 2,-0.0 -1,-0.4 -0.936 47.5-152.4 173.0 163.6 21.2 -32.7 -6.5 14 46 A S E +A 19 0A 77 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.976 35.8 102.6-150.5 155.3 19.3 -29.4 -6.1 15 47 A G E > S-A 18 0A 42 3,-2.1 3,-1.8 -2,-0.3 -2,-0.0 -0.948 84.7 -16.2 167.1-146.3 15.7 -28.2 -6.5 16 48 A G T 3 S+ 0 0 59 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.772 131.3 55.6 -55.5 -31.8 12.8 -27.2 -4.3 17 49 A F T 3 S- 0 0 62 1,-0.3 2,-0.3 20,-0.1 -1,-0.3 0.588 115.3-113.3 -77.4 -18.0 14.4 -29.0 -1.3 18 50 A G E < -A 15 0A 10 -3,-1.8 -3,-2.1 19,-0.1 2,-0.4 -0.928 52.5 -37.3 120.9-143.6 17.6 -27.0 -1.5 19 51 A S E -AB 14 36A 42 17,-1.9 17,-3.0 -2,-0.3 2,-0.5 -0.993 52.3-161.9-124.0 130.2 21.2 -28.2 -2.5 20 52 A V E -AB 13 35A 25 -7,-3.2 -8,-3.3 -2,-0.4 -7,-1.5 -0.964 6.2-171.0-118.6 126.1 22.4 -31.7 -1.3 21 53 A Y E -AB 11 34A 77 13,-2.7 13,-3.2 -2,-0.5 -10,-0.3 -0.843 25.6-118.1-113.9 150.0 26.1 -32.7 -1.3 22 54 A S E + B 0 33A 17 -12,-3.1 -13,-3.3 -2,-0.3 2,-0.3 -0.556 46.5 168.9 -78.5 148.4 27.7 -36.0 -0.6 23 55 A G E -AB 8 32A 2 9,-2.1 9,-2.8 -15,-0.2 2,-0.4 -0.970 33.3-135.0-156.8 171.3 30.0 -36.0 2.4 24 56 A I E -AB 7 31A 53 -17,-1.8 -17,-2.7 -2,-0.3 2,-0.6 -0.999 25.5-126.1-136.6 127.2 32.0 -37.9 5.0 25 57 A R E > -A 6 0A 54 5,-2.6 4,-1.5 -2,-0.4 5,-0.4 -0.680 24.6-143.4 -72.4 115.5 31.9 -37.4 8.7 26 58 A V T 4 S+ 0 0 70 -21,-2.3 -1,-0.1 -2,-0.6 -20,-0.1 0.753 88.9 61.2 -55.8 -31.5 35.7 -36.9 9.4 27 59 A S T 4 S+ 0 0 99 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.917 127.5 4.5 -64.8 -51.6 35.7 -38.7 12.9 28 60 A D T 4 S- 0 0 88 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.193 96.8-113.2-121.8 12.1 34.6 -42.2 11.8 29 61 A N < + 0 0 118 -4,-1.5 -3,-0.2 1,-0.2 3,-0.0 0.597 54.8 170.0 61.2 17.7 34.4 -41.9 7.9 30 62 A L - 0 0 61 -5,-0.4 -5,-2.6 -6,-0.1 2,-0.2 -0.355 38.2-118.0 -59.7 126.5 30.6 -42.3 8.1 31 63 A P E +B 24 0A 42 0, 0.0 59,-1.1 0, 0.0 2,-0.3 -0.529 45.3 173.3 -67.6 131.6 29.0 -41.5 4.6 32 64 A V E -BC 23 89A 0 -9,-2.8 -9,-2.1 -2,-0.2 2,-0.4 -0.885 31.8-130.2-133.1 168.1 26.6 -38.5 5.0 33 65 A A E -BC 22 88A 11 55,-2.8 55,-2.8 -2,-0.3 2,-0.6 -0.974 18.5-150.1-119.6 134.6 24.4 -36.2 2.9 34 66 A I E -BC 21 87A 3 -13,-3.2 -13,-2.7 -2,-0.4 2,-0.5 -0.927 13.6-167.6-112.5 106.5 24.8 -32.5 3.5 35 67 A K E -BC 20 86A 8 51,-2.7 51,-2.9 -2,-0.6 2,-0.5 -0.875 4.2-162.9-103.7 121.1 21.5 -30.6 2.8 36 68 A H E -BC 19 85A 42 -17,-3.0 -17,-1.9 -2,-0.5 2,-0.5 -0.875 7.8-176.3-104.4 125.7 21.6 -26.7 2.6 37 69 A V E - C 0 84A 12 47,-2.7 47,-2.5 -2,-0.5 2,-0.2 -0.991 23.1-129.3-124.9 120.7 18.2 -25.0 2.9 38 70 A E E > - C 0 83A 96 -2,-0.5 3,-1.3 45,-0.2 45,-0.3 -0.540 10.5-134.4 -77.1 138.0 18.0 -21.2 2.5 39 71 A K G > S+ 0 0 46 43,-2.3 3,-1.8 1,-0.2 44,-0.1 0.879 103.3 57.0 -53.2 -46.2 16.2 -19.2 5.2 40 72 A D G 3 S+ 0 0 131 42,-0.4 -1,-0.2 1,-0.3 43,-0.1 0.596 105.8 53.1 -65.5 -10.6 14.2 -17.0 2.7 41 73 A R G < S+ 0 0 118 -3,-1.3 2,-0.7 2,-0.0 -1,-0.3 0.419 86.1 96.6-102.6 -1.8 12.7 -20.2 1.2 42 74 A I < + 0 0 24 -3,-1.8 3,-0.1 -4,-0.2 114,-0.0 -0.829 38.6 163.2 -93.2 110.7 11.5 -21.6 4.6 43 75 A S + 0 0 97 -2,-0.7 2,-0.5 1,-0.1 -1,-0.2 0.819 61.7 62.0 -93.2 -42.3 7.8 -20.8 5.1 44 76 A D + 0 0 66 112,-0.2 12,-2.2 115,-0.0 13,-0.4 -0.813 65.9 179.0 -95.7 120.2 7.0 -23.3 7.9 45 77 A W E +E 55 0B 68 -2,-0.5 2,-0.2 10,-0.3 8,-0.1 -0.870 1.7 173.6-118.4 152.0 8.9 -22.9 11.2 46 78 A G E -E 54 0B 14 8,-2.7 8,-1.7 -2,-0.3 2,-0.4 -0.753 25.5-108.0-142.6-173.0 8.6 -24.8 14.4 47 79 A E E -E 53 0B 136 -2,-0.2 6,-0.2 6,-0.2 -2,-0.0 -0.992 20.2-134.2-132.9 137.3 10.1 -25.3 17.9 48 80 A L > - 0 0 12 4,-1.3 3,-1.8 -2,-0.4 11,-0.1 -0.370 43.2 -94.0 -77.6 163.1 12.2 -28.2 19.4 49 81 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 10,-0.0 0.712 131.2 52.2 -53.9 -17.9 11.3 -29.7 22.9 50 82 A N T 3 S- 0 0 119 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.690 121.8-108.7 -87.0 -25.1 13.9 -27.1 24.3 51 83 A G < + 0 0 35 -3,-1.8 2,-0.2 1,-0.3 0, 0.0 0.463 62.6 150.1 110.1 7.0 12.2 -24.1 22.5 52 84 A T - 0 0 62 1,-0.1 -4,-1.3 -5,-0.0 2,-0.8 -0.490 50.3-119.2 -73.8 138.8 14.7 -23.2 19.7 53 85 A R E +E 47 0B 147 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.701 52.5 151.8 -81.1 105.3 13.3 -21.7 16.4 54 86 A V E -E 46 0B 0 -8,-1.7 -8,-2.7 -2,-0.8 5,-0.1 -0.878 52.3 -78.8-127.8 163.1 14.2 -24.1 13.6 55 87 A P E >> -E 45 0B 6 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.285 41.2-116.7 -61.4 151.2 12.6 -25.0 10.2 56 88 A M H 3> S+ 0 0 28 -12,-2.2 4,-3.0 1,-0.2 5,-0.3 0.880 115.6 66.8 -52.8 -38.5 9.6 -27.4 10.5 57 89 A E H 3> S+ 0 0 18 -13,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.880 101.8 46.0 -51.3 -44.0 11.7 -29.9 8.5 58 90 A V H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.897 111.9 51.0 -66.3 -43.1 14.2 -30.2 11.5 59 91 A V H X S+ 0 0 15 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.943 113.8 45.1 -58.2 -51.3 11.2 -30.6 14.0 60 92 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.897 111.7 51.5 -61.2 -43.6 9.7 -33.4 11.8 61 93 A L H X S+ 0 0 2 -4,-2.3 4,-1.0 -5,-0.3 13,-0.3 0.893 110.3 49.0 -62.2 -41.7 13.0 -35.2 11.3 62 94 A K H < S+ 0 0 97 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.888 109.3 53.0 -66.6 -36.7 13.7 -35.2 15.1 63 95 A K H < S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.867 115.4 40.0 -64.7 -37.5 10.2 -36.6 15.7 64 96 A V H < S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.550 87.1 124.9 -88.1 -11.2 10.8 -39.5 13.3 65 97 A S < + 0 0 45 -4,-1.0 2,-0.3 -3,-0.3 8,-0.1 -0.281 34.6 117.4 -55.0 125.2 14.4 -40.1 14.4 66 98 A S S S- 0 0 38 2,-0.2 5,-0.1 5,-0.2 -2,-0.0 -0.955 78.1 -88.0-172.6 175.0 15.0 -43.7 15.5 67 99 A G S S+ 0 0 70 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.619 88.3 112.9 -70.6 -16.2 16.9 -46.9 14.8 68 100 A F > - 0 0 78 1,-0.1 3,-0.9 4,-0.1 -2,-0.2 -0.460 60.6-153.4 -62.1 115.8 14.1 -47.9 12.3 69 101 A S T 3 S+ 0 0 41 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.509 76.5 85.2 -75.2 -5.5 15.9 -47.8 8.9 70 102 A G T 3 S+ 0 0 7 81,-0.1 82,-2.5 2,-0.1 2,-0.4 0.597 90.2 49.6 -72.1 -14.7 12.7 -47.1 6.9 71 103 A V B < S-f 152 0C 3 -3,-0.9 -5,-0.2 80,-0.3 82,-0.2 -0.985 97.9 -99.8-127.3 139.9 12.9 -43.3 7.4 72 104 A I - 0 0 9 80,-2.8 2,-0.5 -2,-0.4 -2,-0.1 -0.170 35.8-132.0 -55.0 141.7 16.0 -41.1 7.0 73 105 A R - 0 0 107 -8,-0.1 16,-1.7 -4,-0.1 2,-0.6 -0.916 5.8-139.6-103.5 125.4 17.9 -40.2 10.2 74 106 A L E -D 88 0A 16 -2,-0.5 14,-0.2 -13,-0.3 3,-0.1 -0.737 19.8-176.9 -79.2 117.5 18.9 -36.6 10.9 75 107 A L E - 0 0 53 12,-2.8 2,-0.3 -2,-0.6 13,-0.2 0.789 61.0 -28.0 -86.3 -34.6 22.5 -36.9 12.4 76 108 A D E -D 87 0A 58 11,-1.3 11,-3.0 2,-0.0 -1,-0.3 -0.949 54.7-149.1-169.3 170.7 23.0 -33.1 13.2 77 109 A W E -D 86 0A 48 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.971 6.5-162.2-152.8 154.6 22.0 -29.6 12.0 78 110 A F E -D 85 0A 41 7,-2.4 7,-2.8 -2,-0.3 2,-0.4 -0.994 14.2-136.0-141.7 145.2 23.6 -26.2 11.9 79 111 A E E -D 84 0A 109 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.876 23.0-179.0-103.6 134.9 22.4 -22.6 11.6 80 112 A R - 0 0 79 3,-3.0 3,-0.4 -2,-0.4 -2,-0.0 -0.777 46.0 -92.7-121.1 167.5 24.3 -20.2 9.3 81 113 A P S S+ 0 0 110 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.887 121.7 12.8 -50.8 -43.5 23.4 -16.4 8.6 82 114 A D S S+ 0 0 126 -43,-0.1 -43,-2.3 -44,-0.0 -42,-0.4 0.252 128.8 30.3-117.3 6.8 21.2 -17.2 5.5 83 115 A S E -C 38 0A 20 -3,-0.4 -3,-3.0 -45,-0.3 2,-0.4 -0.978 62.7-121.9-157.1 169.2 20.7 -21.0 5.7 84 116 A F E -CD 37 79A 0 -47,-2.5 -47,-2.7 -2,-0.3 2,-0.5 -0.927 22.7-151.3-115.7 141.2 20.3 -24.2 7.7 85 117 A V E -CD 36 78A 0 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.985 10.1-163.7-118.1 122.7 22.6 -27.1 7.1 86 118 A L E -CD 35 77A 1 -51,-2.9 -51,-2.7 -2,-0.5 2,-0.6 -0.904 8.7-152.0-108.1 131.0 21.3 -30.7 7.8 87 119 A I E +CD 34 76A 0 -11,-3.0 -12,-2.8 -2,-0.4 -11,-1.3 -0.933 26.6 175.4-103.8 115.5 23.5 -33.7 8.2 88 120 A L E -CD 33 74A 14 -55,-2.8 -55,-2.8 -2,-0.6 -14,-0.2 -0.846 34.8 -93.8-119.4 158.4 21.6 -36.8 7.1 89 121 A E E -C 32 0A 50 -16,-1.7 -57,-0.2 -2,-0.3 -1,-0.1 -0.278 33.0-157.1 -66.7 155.8 22.6 -40.4 6.7 90 122 A R - 0 0 37 -59,-1.1 -1,-0.0 -58,-0.1 2,-0.0 -0.888 6.5-146.6-138.6 104.5 23.6 -41.6 3.3 91 123 A P - 0 0 13 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.370 24.7-124.1 -65.0 154.3 23.4 -45.3 2.4 92 124 A E S S+ 0 0 124 1,-0.4 2,-0.1 -61,-0.0 52,-0.1 -0.914 93.2 26.9-152.4 120.3 26.1 -46.6 0.0 93 125 A P S S+ 0 0 43 0, 0.0 52,-1.3 0, 0.0 53,-0.5 0.568 95.4 155.2 -72.6 152.7 25.6 -48.0 -2.7 94 126 A V E -G 144 0C 49 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.958 25.4-177.3-145.1 156.5 22.2 -46.2 -3.1 95 127 A Q E -G 143 0C 35 48,-1.1 48,-2.6 -2,-0.3 2,-0.1 -0.939 29.5-120.1-153.0 137.1 19.8 -45.1 -5.9 96 128 A D E > -G 142 0C 42 -2,-0.3 4,-2.1 46,-0.2 46,-0.2 -0.413 28.4-114.9 -77.8 158.9 16.6 -43.2 -5.5 97 129 A L H > S+ 0 0 0 44,-2.6 4,-2.6 41,-1.0 5,-0.3 0.823 113.5 59.1 -65.0 -32.9 13.4 -44.8 -6.8 98 130 A F H > S+ 0 0 82 40,-0.8 4,-2.6 43,-0.3 -1,-0.2 0.944 111.0 42.2 -58.4 -49.4 12.9 -42.3 -9.6 99 131 A D H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.875 113.5 53.3 -65.1 -39.9 16.3 -43.2 -11.1 100 132 A F H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.924 113.6 40.8 -59.6 -51.1 15.7 -46.9 -10.5 101 133 A I H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.891 113.5 54.9 -67.4 -42.1 12.4 -46.9 -12.3 102 134 A T H < S+ 0 0 96 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.940 116.4 38.0 -55.3 -46.5 13.8 -44.6 -15.1 103 135 A E H < S+ 0 0 144 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 128.1 30.9 -72.9 -40.7 16.7 -47.1 -15.7 104 136 A R H < S- 0 0 122 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.606 94.3-144.1 -99.3 -13.3 14.8 -50.4 -15.3 105 137 A G < + 0 0 30 -4,-2.6 -1,-0.2 -5,-0.2 101,-0.2 -0.328 61.8 3.6 78.4-163.4 11.3 -49.5 -16.5 106 138 A A S S- 0 0 35 99,-0.3 2,-0.3 1,-0.1 98,-0.2 -0.186 83.6-120.0 -54.1 136.4 8.1 -51.0 -14.9 107 139 A L - 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0 0 34 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.399 31.3-130.2 -73.8 153.0 2.5 -41.8 -13.2 209 241 A P S S+ 0 0 10 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.756 85.3 42.2 -77.4 -25.4 -1.3 -42.2 -14.1 210 242 A F + 0 0 4 -36,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.977 44.9 170.6-127.9 141.8 -2.2 -38.5 -14.4 211 243 A E + 0 0 130 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 0.800 67.2 48.9-108.9 -53.1 -0.5 -35.5 -15.9 212 244 A H S > S- 0 0 96 1,-0.1 4,-1.8 -38,-0.0 3,-0.3 -0.496 80.6-116.4 -95.2 159.9 -3.2 -32.7 -15.8 213 245 A D H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 117.2 56.7 -55.3 -42.5 -5.6 -31.4 -13.1 214 246 A E H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 106.3 49.7 -58.2 -41.2 -8.6 -32.6 -15.3 215 247 A E H > S+ 0 0 75 -3,-0.3 4,-2.3 2,-0.2 5,-0.4 0.880 110.5 49.4 -66.4 -43.2 -7.2 -36.1 -15.3 216 248 A I H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.931 112.6 47.8 -61.6 -46.4 -6.7 -36.1 -11.5 217 249 A I H < S+ 0 0 54 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.840 113.7 46.5 -63.2 -40.4 -10.3 -34.9 -11.0 218 250 A R H < S- 0 0 174 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.893 88.7-163.8 -69.9 -38.3 -11.8 -37.5 -13.4 219 251 A G < + 0 0 16 -4,-2.3 2,-0.6 1,-0.2 -3,-0.1 0.691 24.7 159.3 61.7 24.8 -9.7 -40.2 -11.7 220 252 A Q - 0 0 119 -5,-0.4 2,-0.6 -11,-0.0 -1,-0.2 -0.701 30.5-149.1 -80.0 116.6 -10.1 -42.7 -14.6 221 253 A V - 0 0 6 -2,-0.6 2,-0.4 -3,-0.1 -11,-0.1 -0.831 15.4-174.4 -93.7 118.7 -7.2 -45.2 -14.2 222 254 A F - 0 0 153 -2,-0.6 2,-0.6 -13,-0.2 -2,-0.0 -0.939 17.8-140.8-110.8 129.3 -5.9 -46.7 -17.4 223 255 A F - 0 0 25 -2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.842 18.5-179.5 -95.4 116.9 -3.3 -49.5 -17.3 224 256 A R S S+ 0 0 117 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.624 70.6 48.9 -85.5 -18.8 -0.6 -49.1 -20.0 225 257 A Q S S- 0 0 100 0, 0.0 2,-0.5 0, 0.0 -21,-0.0 -0.811 102.7 -87.9-117.1 162.0 1.3 -52.3 -18.9 226 258 A R + 0 0 214 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.565 56.5 170.8 -71.4 115.8 0.1 -55.8 -18.0 227 259 A V - 0 0 3 -2,-0.5 -4,-0.1 -4,-0.1 -22,-0.0 -0.995 35.8-103.9-131.2 138.5 -0.8 -55.6 -14.3 228 260 A S > - 0 0 27 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.169 28.0-116.9 -59.6 154.1 -2.5 -58.3 -12.2 229 261 A S H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.883 115.3 51.6 -59.7 -42.3 -6.2 -57.9 -11.3 230 262 A E H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.924 111.7 47.1 -63.3 -42.6 -5.4 -57.8 -7.5 231 263 A C H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.930 112.5 48.8 -65.0 -44.8 -2.8 -55.0 -8.1 232 264 A Q H X S+ 0 0 46 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.899 110.8 52.0 -58.6 -43.4 -5.1 -53.0 -10.3 233 265 A H H X S+ 0 0 111 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.893 110.6 47.3 -60.4 -45.1 -7.9 -53.4 -7.6 234 266 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 113.9 47.4 -63.6 -46.9 -5.6 -52.1 -4.9 235 267 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.929 112.3 48.7 -57.5 -53.2 -4.4 -49.1 -7.0 236 268 A R H < S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.8 52.4 -58.9 -30.9 -8.0 -48.2 -8.0 237 269 A W H >< S+ 0 0 71 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.931 109.9 46.3 -69.9 -47.2 -9.0 -48.4 -4.3 238 270 A C H 3< S+ 0 0 0 -4,-2.2 -41,-0.2 1,-0.3 -2,-0.2 0.799 113.5 52.9 -61.7 -34.1 -6.2 -46.0 -3.2 239 271 A L T 3< S+ 0 0 4 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.073 76.0 144.5 -92.7 22.9 -7.2 -43.7 -6.1 240 272 A A < - 0 0 16 -3,-1.4 6,-0.1 1,-0.1 -3,-0.1 -0.391 51.8-136.1 -61.2 133.8 -10.9 -43.5 -5.1 241 273 A L S S+ 0 0 80 -23,-0.1 -62,-0.2 -22,-0.1 -1,-0.1 0.896 92.2 67.1 -60.0 -41.9 -12.3 -40.0 -5.9 242 274 A R S > S- 0 0 149 1,-0.1 3,-1.8 -64,-0.1 4,-0.4 -0.713 81.1-144.1 -82.9 122.7 -14.1 -39.8 -2.6 243 275 A P G > S+ 0 0 49 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.861 101.0 57.2 -55.1 -35.8 -11.5 -39.7 0.3 244 276 A S G 3 S+ 0 0 90 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.647 99.3 60.3 -69.8 -15.6 -13.9 -41.8 2.5 245 277 A D G < S+ 0 0 78 -3,-1.8 -1,-0.3 2,-0.1 -4,-0.1 0.507 85.8 100.9 -85.9 -6.7 -13.8 -44.6 -0.2 246 278 A R S < S- 0 0 14 -3,-1.4 -8,-0.2 -4,-0.4 -9,-0.1 -0.482 79.7-109.2 -79.1 149.3 -10.0 -45.0 0.1 247 279 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.382 27.0-121.4 -72.9 158.4 -8.6 -47.9 2.2 248 280 A T > - 0 0 76 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.412 36.5 -98.3 -82.1 172.4 -6.9 -47.3 5.5 249 281 A F H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 127.5 53.6 -60.4 -37.4 -3.2 -48.4 5.9 250 282 A E H > S+ 0 0 140 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 108.2 48.4 -62.3 -46.3 -4.4 -51.6 7.6 251 283 A E H 4 S+ 0 0 85 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.847 111.6 50.4 -65.1 -35.4 -6.8 -52.4 4.7 252 284 A I H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 6,-0.3 0.967 112.7 45.9 -64.0 -51.0 -3.9 -51.8 2.2 253 285 A Q H 3< S+ 0 0 13 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.739 113.7 49.4 -67.4 -20.8 -1.6 -54.1 4.2 254 286 A N T 3< S+ 0 0 106 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.437 84.6 119.4 -93.6 -1.8 -4.4 -56.8 4.5 255 287 A H S X S- 0 0 11 -3,-1.5 3,-1.6 -4,-0.4 4,-0.3 -0.341 75.8-120.3 -63.4 143.7 -5.2 -56.6 0.7 256 288 A P G > S+ 0 0 76 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.814 113.3 59.6 -57.3 -29.1 -4.6 -60.0 -1.1 257 289 A W G 3 S+ 0 0 2 -27,-0.2 -26,-0.1 1,-0.2 -4,-0.1 0.794 100.4 57.2 -67.1 -27.0 -2.0 -58.3 -3.4 258 290 A M G < S+ 0 0 2 -3,-1.6 3,-0.5 -6,-0.3 -1,-0.2 0.413 83.0 113.3 -84.4 1.6 0.1 -57.5 -0.3 259 291 A Q S < S+ 0 0 83 -3,-1.1 -5,-0.0 -4,-0.3 -146,-0.0 -0.366 72.0 17.7 -79.3 152.4 0.4 -61.1 1.0 260 292 A D S S- 0 0 156 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.840 78.8-172.8 59.0 46.3 3.7 -63.0 1.1 261 293 A V - 0 0 43 -3,-0.5 -1,-0.2 -148,-0.1 2,-0.1 -0.383 24.4-113.9 -65.0 143.5 6.1 -60.0 0.8 262 294 A L - 0 0 27 -152,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.475 30.0-107.4 -72.5 154.6 9.8 -60.8 0.4 263 295 A L > - 0 0 109 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.440 34.1-110.1 -73.5 151.4 12.2 -59.9 3.2 264 296 A P H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.914 120.6 50.8 -53.9 -41.5 14.5 -56.8 2.2 265 297 A Q H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.888 110.0 48.5 -63.0 -38.8 17.5 -59.2 2.0 266 298 A E H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.878 110.5 53.5 -65.6 -37.6 15.7 -61.7 -0.3 267 299 A T H X>S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.6 0.896 110.2 46.0 -62.0 -46.5 14.6 -58.6 -2.4 268 300 A A H X5S+ 0 0 6 -4,-2.2 4,-1.6 -121,-0.3 5,-0.5 0.933 113.1 50.4 -63.4 -45.3 18.3 -57.5 -2.8 269 301 A E H <5S+ 0 0 117 -4,-2.4 4,-0.2 3,-0.2 -2,-0.2 0.890 121.1 32.3 -60.5 -44.7 19.4 -61.1 -3.6 270 302 A I H <5S+ 0 0 98 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.896 136.4 16.4 -80.7 -45.1 16.7 -61.7 -6.4 271 303 A H H <5S+ 0 0 13 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.591 127.0 41.9-110.0 -20.6 16.3 -58.1 -7.9 272 304 A L << 0 0 25 -4,-1.6 -3,-0.2 -5,-0.6 -4,-0.1 0.330 360.0 360.0-113.6 6.4 19.2 -55.9 -6.8 273 305 A H 0 0 203 -5,-0.5 -4,-0.1 -4,-0.2 -127,-0.1 -0.105 360.0 360.0 -46.3 360.0 22.1 -58.5 -7.3