==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 13-APR-12 4ENX . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.J.PARKER,N.HANDA,S.YOKOYAMA . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 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 2 1 1 1 0 3 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 37 A Q 0 0 140 0, 0.0 21,-2.0 0, 0.0 22,-0.6 0.000 360.0 360.0 360.0 -42.8 -44.5 13.2 -11.2 2 38 A Y E -A 21 0A 39 19,-0.2 2,-0.8 20,-0.1 19,-0.2 -0.963 360.0-142.9-126.3 134.1 -44.7 11.7 -7.7 3 39 A Q E -A 20 0A 131 17,-2.9 17,-1.3 -2,-0.4 2,-0.1 -0.845 31.2-134.5 -93.2 112.0 -46.0 13.2 -4.5 4 40 A V E -A 19 0A 92 -2,-0.8 15,-0.2 15,-0.2 25,-0.0 -0.403 26.6-178.6 -72.1 137.3 -43.8 11.8 -1.7 5 41 A G E - 0 0 30 13,-3.8 -1,-0.1 1,-0.3 3,-0.1 -0.241 38.8 -38.2-113.2-154.5 -45.3 10.4 1.5 6 42 A P E - 0 0 94 0, 0.0 12,-3.4 0, 0.0 2,-0.5 -0.220 67.4 -89.9 -72.1 159.5 -43.9 9.0 4.8 7 43 A L E -A 17 0A 90 10,-0.3 10,-0.3 1,-0.2 3,-0.1 -0.573 33.0-170.5 -69.3 119.0 -40.9 6.7 5.1 8 44 A L E - 0 0 97 8,-2.6 2,-0.2 -2,-0.5 9,-0.2 0.666 65.7 -32.8 -82.6 -19.9 -42.0 3.0 4.8 9 45 A G E -A 16 0A 29 7,-1.6 7,-3.7 2,-0.0 -1,-0.3 -0.868 49.0-152.0 169.9 155.8 -38.6 1.7 5.9 10 46 A S E +A 15 0A 89 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.962 35.3 111.1-140.0 156.5 -34.8 2.2 5.9 11 47 A G E > S-A 14 0A 53 3,-1.5 3,-0.7 -2,-0.3 -2,-0.0 -0.895 76.0 -34.6 176.7-144.7 -31.9 -0.2 6.1 12 48 A G T 3 S+ 0 0 43 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.792 127.1 53.3 -76.9 -30.1 -29.0 -1.7 4.1 13 49 A F T 3 S- 0 0 60 1,-0.3 -1,-0.2 20,-0.1 2,-0.2 0.064 121.3 -90.6 -98.3 25.6 -30.8 -1.8 0.8 14 50 A G E < -A 11 0A 20 -3,-0.7 -3,-1.5 19,-0.1 2,-0.4 -0.602 52.3 -58.7 107.4-165.6 -31.7 1.9 0.9 15 51 A S E -AB 10 32A 40 17,-1.7 17,-3.1 -5,-0.2 2,-0.4 -0.963 42.7-154.7-120.9 139.9 -34.7 3.9 2.2 16 52 A V E -AB 9 31A 40 -7,-3.7 -8,-2.6 -2,-0.4 -7,-1.6 -0.967 9.6-170.0-122.1 129.0 -38.2 3.4 1.0 17 53 A Y E -AB 7 30A 79 13,-2.9 13,-3.0 -2,-0.4 -10,-0.3 -0.780 26.4-112.1-112.5 155.5 -41.0 6.0 1.0 18 54 A S E - B 0 29A 16 -12,-3.4 -13,-3.8 -2,-0.3 2,-0.3 -0.596 45.8-179.4 -78.5 149.1 -44.8 5.9 0.4 19 55 A G E -AB 4 28A 0 9,-2.2 9,-2.1 -15,-0.2 2,-0.4 -0.948 28.6-142.3-150.1 167.4 -45.9 7.8 -2.7 20 56 A I E -AB 3 27A 42 -17,-1.3 -17,-2.9 -2,-0.3 2,-0.9 -0.999 23.2-130.6-132.9 129.0 -48.6 8.9 -5.0 21 57 A R E >>> -AB 2 26A 67 5,-2.8 4,-2.1 -2,-0.4 5,-0.8 -0.740 16.7-152.0 -80.1 111.1 -48.5 9.1 -8.8 22 58 A V T 345S+ 0 0 85 -21,-2.0 -1,-0.2 -2,-0.9 -20,-0.1 0.780 88.7 68.2 -55.8 -29.2 -49.8 12.6 -9.5 23 59 A S T 345S- 0 0 94 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.945 129.8 -6.7 -53.1 -56.7 -51.0 11.4 -12.9 24 60 A D T <45S- 0 0 85 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.100 94.7-106.4-132.4 21.7 -53.7 9.1 -11.6 25 61 A N T <5 + 0 0 120 -4,-2.1 -3,-0.2 1,-0.2 -23,-0.0 0.735 60.3 171.3 52.9 25.8 -53.2 9.1 -7.8 26 62 A L E < -B 21 0A 56 -5,-0.8 -5,-2.8 1,-0.1 2,-0.3 -0.449 37.9-114.8 -65.8 129.8 -51.8 5.6 -8.2 27 63 A P E +B 20 0A 43 0, 0.0 57,-1.0 0, 0.0 2,-0.3 -0.534 47.3 168.1 -67.6 126.8 -50.2 4.3 -5.0 28 64 A V E -BC 19 83A 0 -9,-2.1 -9,-2.2 -2,-0.3 2,-0.4 -0.877 32.2-130.5-131.8 166.4 -46.5 3.8 -5.4 29 65 A A E -BC 18 82A 10 53,-2.6 53,-3.0 -2,-0.3 2,-0.7 -0.978 16.9-148.1-115.8 135.5 -43.4 3.1 -3.3 30 66 A I E -BC 17 81A 7 -13,-3.0 -13,-2.9 -2,-0.4 2,-0.5 -0.891 14.9-169.2-109.0 109.2 -40.3 5.3 -3.8 31 67 A K E -BC 16 80A 16 49,-3.1 49,-3.3 -2,-0.7 2,-0.5 -0.849 3.7-162.5-102.0 123.7 -37.0 3.4 -3.2 32 68 A H E -BC 15 79A 47 -17,-3.1 -17,-1.7 -2,-0.5 2,-0.5 -0.909 7.5-176.0-106.6 126.4 -33.7 5.3 -2.9 33 69 A V E - C 0 78A 14 45,-2.6 45,-2.4 -2,-0.5 2,-0.3 -0.981 24.6-128.9-122.3 124.8 -30.4 3.4 -3.3 34 70 A E E > - C 0 77A 110 -2,-0.5 3,-1.8 43,-0.2 43,-0.3 -0.560 14.6-138.0 -69.4 129.3 -27.0 5.0 -2.9 35 71 A K G > S+ 0 0 46 41,-2.5 3,-1.2 -2,-0.3 -1,-0.1 0.738 100.4 65.0 -56.0 -27.3 -24.7 4.2 -5.9 36 72 A D G 3 S+ 0 0 118 40,-0.4 -1,-0.3 1,-0.3 41,-0.1 0.580 100.1 50.6 -78.4 -10.3 -21.8 3.6 -3.5 37 73 A R G < S+ 0 0 161 -3,-1.8 2,-0.8 1,-0.0 -1,-0.3 0.224 86.3 98.9-110.2 10.4 -23.5 0.6 -1.9 38 74 A I < + 0 0 22 -3,-1.2 -1,-0.0 1,-0.2 -25,-0.0 -0.860 38.1 166.9-102.8 101.9 -24.3 -1.1 -5.3 39 75 A S + 0 0 102 -2,-0.8 2,-0.5 1,-0.1 -1,-0.2 0.692 62.0 66.1 -84.9 -21.0 -21.7 -3.8 -6.0 40 76 A D + 0 0 65 113,-0.0 10,-2.3 2,-0.0 11,-0.3 -0.908 61.2 173.0-114.4 121.9 -23.6 -5.4 -8.8 41 77 A W E +E 49 0B 60 -2,-0.5 2,-0.2 8,-0.3 6,-0.1 -0.855 3.0 159.0-124.4 157.3 -24.3 -3.7 -12.1 42 78 A G E -E 48 0B 20 6,-2.9 6,-2.0 -2,-0.3 2,-0.3 -0.798 18.5-140.2-154.7-164.4 -25.9 -4.8 -15.5 43 79 A E 0 0 66 -2,-0.2 4,-0.1 4,-0.2 -2,-0.0 -0.972 360.0 360.0-161.8 169.2 -27.5 -3.5 -18.6 44 80 A L 0 0 130 2,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.182 360.0 360.0-165.2 360.0 -30.2 -4.0 -21.3 45 ! 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 46 84 A T 0 0 93 0, 0.0 2,-0.8 0, 0.0 -2,-0.4 0.000 360.0 360.0 360.0 164.4 -27.4 1.6 -20.0 47 85 A R + 0 0 164 -4,-0.1 -4,-0.2 -3,-0.1 -6,-0.0 -0.697 360.0 155.0 -82.0 107.7 -25.5 0.9 -16.8 48 86 A V E -E 42 0B 11 -6,-2.0 -6,-2.9 -2,-0.8 25,-0.0 -0.846 49.2 -86.1-126.1 161.8 -28.0 0.2 -14.1 49 87 A P E >> -E 41 0B 6 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.366 40.9-114.1 -63.2 153.8 -27.9 -1.7 -10.8 50 88 A M H 3> S+ 0 0 26 -10,-2.3 4,-3.6 1,-0.2 5,-0.3 0.826 114.8 68.1 -57.4 -32.2 -28.7 -5.5 -11.1 51 89 A E H 3> S+ 0 0 18 -11,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.903 101.4 45.9 -55.3 -44.6 -31.8 -4.8 -9.0 52 90 A V H <> S+ 0 0 1 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.907 114.4 49.5 -62.1 -43.3 -33.3 -2.8 -11.9 53 91 A V H X S+ 0 0 18 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.954 113.1 44.6 -60.2 -53.8 -32.2 -5.5 -14.4 54 92 A L H >X S+ 0 0 0 -4,-3.6 4,-1.6 1,-0.2 3,-0.6 0.915 110.7 54.8 -57.9 -47.4 -33.7 -8.4 -12.3 55 93 A L H 3X S+ 0 0 1 -4,-2.4 4,-0.7 -5,-0.3 13,-0.3 0.842 107.2 49.9 -57.9 -37.1 -37.0 -6.4 -11.7 56 94 A K H 3< S+ 0 0 113 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.750 107.5 55.4 -75.0 -22.4 -37.5 -5.9 -15.5 57 95 A K H << S+ 0 0 93 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.830 113.6 39.4 -76.5 -32.7 -37.0 -9.6 -16.1 58 96 A V H < S+ 0 0 4 -4,-1.6 -2,-0.2 8,-0.1 -1,-0.2 0.517 87.1 121.5 -94.1 -7.0 -39.7 -10.6 -13.7 59 97 A S < + 0 0 64 -4,-0.7 2,-0.2 -5,-0.2 8,-0.1 -0.389 38.8 116.9 -61.1 125.2 -42.0 -7.8 -14.7 60 98 A S S S- 0 0 84 2,-0.4 -2,-0.1 5,-0.2 -1,-0.0 -0.860 80.8 -77.6-163.0-167.5 -45.3 -9.2 -16.0 61 99 A G S S+ 0 0 78 -2,-0.2 2,-0.2 6,-0.0 -2,-0.1 0.568 94.6 108.0 -85.5 -13.1 -49.1 -9.5 -15.4 62 100 A F - 0 0 73 -4,-0.1 3,-0.4 1,-0.1 -2,-0.4 -0.478 59.0-157.8 -66.3 134.5 -48.3 -12.0 -12.6 63 101 A S S S+ 0 0 42 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.251 72.2 87.7-104.4 11.1 -48.9 -10.4 -9.2 64 102 A G S S+ 0 0 5 81,-0.1 82,-2.3 51,-0.1 2,-0.4 0.665 87.7 55.9 -81.2 -16.7 -46.7 -12.6 -7.0 65 103 A V B S-f 146 0C 5 -3,-0.4 -5,-0.2 80,-0.3 82,-0.1 -0.926 96.8-103.0-118.1 141.1 -43.7 -10.3 -7.7 66 104 A I - 0 0 6 80,-2.4 2,-0.4 -2,-0.4 -8,-0.1 -0.279 39.3-124.8 -60.6 145.1 -43.5 -6.6 -7.0 67 105 A R - 0 0 30 -8,-0.1 16,-2.4 -4,-0.1 2,-0.7 -0.807 6.9-141.3-100.3 131.8 -43.8 -4.4 -10.2 68 106 A L E +D 82 0A 25 -2,-0.4 14,-0.2 -13,-0.3 3,-0.1 -0.815 20.7 178.0 -87.9 115.8 -41.2 -1.9 -11.3 69 107 A L E - 0 0 68 12,-2.4 2,-0.3 -2,-0.7 13,-0.2 0.856 62.0 -33.1 -85.8 -38.3 -43.1 1.1 -12.7 70 108 A D E -D 81 0A 59 11,-1.4 11,-2.5 2,-0.0 -1,-0.3 -0.956 53.4-148.7-168.1 173.1 -40.1 3.3 -13.5 71 109 A W E -D 80 0A 61 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.974 6.6-154.5-152.6 159.5 -36.7 4.3 -12.2 72 110 A F E -D 79 0A 75 7,-1.9 7,-2.5 -2,-0.3 2,-0.5 -0.981 12.4-134.4-137.5 148.8 -34.5 7.4 -12.2 73 111 A E E -D 78 0A 110 -2,-0.3 5,-0.2 5,-0.2 -25,-0.0 -0.921 23.4-178.0-106.0 127.9 -30.7 8.0 -12.1 74 112 A R - 0 0 130 3,-3.1 -39,-0.1 -2,-0.5 -2,-0.0 -0.738 44.2 -98.7-112.4 164.9 -29.4 10.7 -9.8 75 113 A P S S+ 0 0 112 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.873 119.9 8.8 -52.0 -40.4 -25.8 11.8 -9.4 76 114 A D S S+ 0 0 118 -41,-0.0 -41,-2.5 1,-0.0 -40,-0.4 0.399 128.7 44.6-122.7 -0.7 -25.3 9.7 -6.2 77 115 A S E -C 34 0A 20 -43,-0.3 -3,-3.1 -42,-0.1 2,-0.4 -0.936 61.4-135.4-140.3 161.2 -28.5 7.5 -6.1 78 116 A F E -CD 33 73A 1 -45,-2.4 -45,-2.6 -2,-0.3 2,-0.6 -0.963 22.0-149.8-111.4 138.7 -30.9 5.4 -8.1 79 117 A V E -CD 32 72A 9 -7,-2.5 -7,-1.9 -2,-0.4 2,-0.5 -0.935 7.9-160.9-113.8 114.9 -34.6 6.0 -7.5 80 118 A L E -CD 31 71A 2 -49,-3.3 -49,-3.1 -2,-0.6 2,-0.7 -0.827 6.1-156.1 -96.1 124.8 -37.0 3.0 -7.9 81 119 A I E -CD 30 70A 2 -11,-2.5 -12,-2.4 -2,-0.5 -11,-1.4 -0.902 28.0-178.5 -95.5 116.0 -40.7 3.6 -8.4 82 120 A L E -CD 29 68A 17 -53,-3.0 -53,-2.6 -2,-0.7 -14,-0.2 -0.782 32.4 -89.6-119.1 156.1 -42.4 0.4 -7.3 83 121 A E E -C 28 0A 54 -16,-2.4 -55,-0.2 -2,-0.3 -1,-0.1 -0.305 38.9-163.1 -53.8 140.7 -45.9 -1.0 -7.1 84 122 A R - 0 0 37 -57,-1.0 2,-0.1 -56,-0.1 -1,-0.0 -0.857 5.4-154.7-136.0 105.1 -47.7 -0.3 -3.7 85 123 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 52,-0.1 -0.465 24.0-124.0 -68.7 147.9 -50.8 -2.3 -2.6 86 124 A E S S+ 0 0 128 1,-0.3 2,-0.1 -2,-0.1 52,-0.1 -0.943 93.6 25.8-147.8 117.5 -53.1 -0.4 -0.2 87 125 A P S S+ 0 0 39 0, 0.0 52,-0.9 0, 0.0 53,-0.4 0.577 92.2 155.2 -74.8 161.8 -53.8 -1.6 2.4 88 126 A V E -G 138 0C 50 50,-0.2 2,-0.3 -2,-0.1 50,-0.2 -0.977 21.3-177.3-149.7 153.8 -50.7 -3.8 2.8 89 127 A Q E -G 137 0C 39 48,-0.9 48,-1.7 -2,-0.3 2,-0.1 -0.962 27.7-119.2-150.8 139.8 -48.7 -5.4 5.6 90 128 A D E > -G 136 0C 36 -2,-0.3 4,-2.5 46,-0.2 46,-0.2 -0.448 25.8-114.8 -80.9 159.1 -45.5 -7.4 5.5 91 129 A L H > S+ 0 0 0 44,-2.2 4,-2.9 41,-1.0 5,-0.3 0.855 114.2 58.0 -61.0 -36.1 -45.3 -11.0 6.7 92 130 A F H > S+ 0 0 78 40,-1.0 4,-2.6 43,-0.3 -1,-0.2 0.960 112.4 38.1 -57.5 -55.5 -42.9 -10.0 9.5 93 131 A D H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.849 115.0 56.6 -63.9 -35.5 -45.3 -7.5 11.0 94 132 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.947 114.7 36.3 -60.8 -51.7 -48.2 -9.8 10.3 95 133 A I H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.852 113.2 60.0 -69.3 -36.6 -46.7 -12.7 12.3 96 134 A T H < S+ 0 0 96 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.883 116.3 32.2 -59.6 -37.5 -45.2 -10.3 14.9 97 135 A E H < S+ 0 0 135 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.708 130.9 33.3 -94.1 -20.9 -48.7 -9.0 15.8 98 136 A R H < S- 0 0 116 -4,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.496 95.1-147.7-113.4 -8.0 -50.7 -12.2 15.2 99 137 A G < + 0 0 31 -4,-2.6 -1,-0.2 -5,-0.2 101,-0.2 -0.324 58.0 7.1 75.1-157.7 -48.2 -14.9 16.2 100 138 A A S S- 0 0 36 99,-0.3 98,-0.2 98,-0.1 2,-0.2 -0.359 79.7-125.7 -61.4 134.0 -47.9 -18.3 14.6 101 139 A L - 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0 0 27 -38,-0.2 3,-0.8 1,-0.1 4,-0.1 -0.736 44.9-150.3 -90.6 127.0 -30.1 -12.5 5.5 167 205 A R G > S+ 0 0 102 -2,-0.5 3,-2.2 1,-0.2 -1,-0.1 0.887 92.3 56.2 -67.3 -43.9 -27.8 -14.8 7.5 168 206 A V G 3 S+ 0 0 31 1,-0.3 36,-0.3 37,-0.1 -1,-0.2 0.653 111.3 47.5 -64.6 -15.4 -30.4 -16.6 9.6 169 207 A Y G < S+ 0 0 15 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.336 93.3 108.0-100.2 1.3 -32.1 -17.6 6.4 170 208 A S S < S- 0 0 0 -3,-2.2 16,-0.0 -4,-0.1 -3,-0.0 -0.551 72.6-110.8 -86.1 147.0 -28.8 -18.7 4.8 171 209 A P >> - 0 0 5 0, 0.0 4,-1.6 0, 0.0 3,-1.3 -0.319 23.3-112.8 -77.5 157.6 -28.0 -22.4 4.2 172 210 A P H 3> S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.723 114.8 63.6 -63.0 -24.3 -25.3 -24.4 6.1 173 211 A E H 3> S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 6,-1.3 0.782 104.7 46.7 -70.0 -27.6 -23.2 -24.7 2.9 174 212 A W H <> S+ 0 0 16 -3,-1.3 4,-1.4 4,-0.2 -1,-0.2 0.918 110.4 52.1 -75.4 -46.1 -22.8 -20.9 2.9 175 213 A I H < S+ 0 0 21 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.1 0.918 122.4 29.6 -53.7 -48.0 -21.9 -20.7 6.6 176 214 A R H < S+ 0 0 152 -4,-2.1 -2,-0.2 3,-0.1 -3,-0.2 0.959 137.1 16.2 -78.4 -55.5 -19.1 -23.4 6.2 177 215 A Y H < S- 0 0 151 -4,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.506 87.1-125.2-105.3 -7.9 -17.8 -23.1 2.7 178 216 A H S < S+ 0 0 98 -4,-1.4 2,-0.3 -5,-0.4 -4,-0.2 0.895 78.5 111.2 54.7 40.8 -19.0 -19.8 1.4 179 217 A R + 0 0 137 -6,-1.3 2,-0.3 2,-0.0 -2,-0.3 -0.997 35.0 150.9-143.4 139.9 -20.5 -21.7 -1.5 180 218 A Y B -J 160 0E 7 -20,-1.4 -20,-3.7 -2,-0.3 2,-0.4 -0.979 36.2-124.9-159.8 158.5 -24.0 -22.5 -2.6 181 219 A H > - 0 0 92 -2,-0.3 4,-2.3 -22,-0.2 5,-0.2 -0.881 32.0-119.8-107.5 146.7 -26.2 -23.3 -5.6 182 220 A G H > S+ 0 0 2 -26,-0.5 4,-2.6 -24,-0.4 5,-0.2 0.887 101.9 41.3 -53.7 -58.6 -29.2 -21.1 -6.2 183 221 A R H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 117.3 45.9 -63.0 -49.6 -32.2 -23.5 -6.2 184 222 A S H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 114.5 49.1 -59.0 -45.3 -31.1 -25.6 -3.3 185 223 A A H X S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.888 109.5 52.7 -61.8 -40.4 -30.2 -22.5 -1.3 186 224 A A H X S+ 0 0 9 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.882 106.3 53.2 -60.8 -41.8 -33.6 -21.0 -2.1 187 225 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 105.4 55.3 -61.2 -41.0 -35.4 -24.1 -0.8 188 226 A W H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.934 107.6 47.8 -57.1 -49.0 -33.5 -23.8 2.5 189 227 A S H X S+ 0 0 11 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.843 108.4 56.2 -64.2 -30.4 -34.7 -20.3 3.0 190 228 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.892 106.1 50.7 -66.6 -38.3 -38.2 -21.5 2.2 191 229 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 41,-0.2 -2,-0.2 0.908 111.0 47.7 -62.3 -43.8 -37.9 -24.1 5.0 192 230 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.897 113.8 49.3 -61.6 -40.8 -36.8 -21.3 7.4 193 231 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.895 109.8 48.7 -67.1 -44.0 -39.8 -19.2 6.2 194 232 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.879 111.5 50.1 -66.4 -39.7 -42.4 -22.0 6.5 195 233 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.5 0.932 108.9 53.4 -59.1 -47.5 -41.1 -22.8 10.1 196 234 A D H X S+ 0 0 4 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.857 109.5 49.5 -54.8 -38.3 -41.4 -19.0 10.8 197 235 A M H < S+ 0 0 0 -4,-1.8 -96,-3.0 1,-0.2 -1,-0.2 0.908 117.9 36.1 -69.3 -44.4 -45.0 -19.1 9.6 198 236 A V H < S+ 0 0 7 -4,-2.1 -2,-0.2 -98,-0.2 -1,-0.2 0.671 127.5 34.1 -89.5 -17.3 -46.2 -22.1 11.6 199 237 A C H < S- 0 0 6 -4,-2.4 -99,-0.3 2,-0.2 -3,-0.2 0.602 102.4-120.1-110.5 -19.1 -44.1 -21.5 14.8 200 238 A G S < S+ 0 0 26 -4,-1.4 2,-0.3 -5,-0.5 -4,-0.2 0.468 85.9 46.9 91.8 2.0 -44.1 -17.7 14.9 201 239 A D S S- 0 0 72 -6,-0.4 -2,-0.2 -8,-0.0 -1,-0.1 -0.972 92.4 -83.7-165.3 160.5 -40.3 -17.4 14.7 202 240 A I - 0 0 16 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.350 31.8-133.3 -70.1 150.9 -37.3 -18.7 12.8 203 241 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.805 84.6 44.4 -77.7 -29.3 -35.7 -22.0 14.0 204 242 A F + 0 0 4 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.911 42.6 162.5-121.7 143.8 -32.0 -20.9 14.0 205 243 A E + 0 0 107 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.553 67.3 57.6-124.0 -26.2 -30.3 -17.8 15.3 206 244 A H S > S- 0 0 110 1,-0.1 4,-1.7 -38,-0.1 3,-0.5 -0.794 78.9-123.2-114.8 151.9 -26.7 -18.9 15.5 207 245 A D H > S+ 0 0 53 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.904 113.0 57.1 -55.5 -44.3 -24.2 -20.3 12.9 208 246 A E H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.838 105.3 50.6 -58.0 -37.1 -23.7 -23.4 15.1 209 247 A E H > S+ 0 0 76 -3,-0.5 4,-2.3 2,-0.2 5,-0.5 0.891 109.8 50.5 -67.4 -41.2 -27.5 -24.1 15.0 210 248 A I H < S+ 0 0 2 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.925 108.1 51.5 -63.5 -48.3 -27.6 -23.8 11.2 211 249 A I H < S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 114.4 44.9 -52.7 -43.8 -24.6 -26.2 10.7 212 250 A R H < S- 0 0 174 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.849 87.1-161.7 -74.0 -37.7 -26.4 -28.8 12.9 213 251 A G < + 0 0 16 -4,-2.3 2,-0.7 1,-0.2 -3,-0.1 0.741 27.8 156.2 60.4 26.3 -29.8 -28.4 11.3 214 252 A Q - 0 0 117 -5,-0.5 2,-0.5 -11,-0.0 -1,-0.2 -0.778 31.0-150.6 -81.9 117.6 -31.7 -29.9 14.2 215 253 A V - 0 0 6 -2,-0.7 2,-0.5 -3,-0.1 -11,-0.0 -0.810 12.6-171.0 -96.1 122.8 -35.3 -28.6 14.1 216 254 A F - 0 0 150 -2,-0.5 2,-0.7 -13,-0.2 3,-0.0 -0.954 16.3-141.1-109.9 127.6 -37.3 -28.2 17.3 217 255 A F - 0 0 23 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.802 17.8-178.5 -93.3 117.2 -41.0 -27.3 17.1 218 256 A R S S+ 0 0 116 -2,-0.7 2,-0.3 2,-0.1 -1,-0.1 0.492 71.3 52.3 -87.2 -7.7 -42.0 -24.9 19.9 219 257 A Q S S- 0 0 98 -3,-0.0 2,-0.9 2,-0.0 -20,-0.1 -0.845 100.5 -90.1-125.4 161.2 -45.6 -25.0 18.6 220 258 A R + 0 0 214 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.652 56.6 168.9 -70.3 106.8 -48.1 -27.7 17.8 221 259 A V - 0 0 4 -2,-0.9 -4,-0.1 -4,-0.1 -22,-0.0 -0.979 36.4-106.7-124.0 137.5 -47.4 -28.4 14.1 222 260 A S > - 0 0 22 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.129 28.7-115.0 -57.3 157.1 -48.8 -31.3 12.0 223 261 A S H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.814 114.9 52.9 -64.5 -31.5 -46.5 -34.2 11.1 224 262 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.847 109.6 46.7 -75.5 -34.9 -46.8 -33.4 7.4 225 263 A C H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.932 112.4 50.7 -69.1 -45.9 -45.8 -29.8 7.8 226 264 A Q H X S+ 0 0 52 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.893 110.2 51.6 -54.7 -42.9 -42.9 -30.9 10.1 227 265 A H H X S+ 0 0 108 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.929 110.1 46.7 -61.9 -48.7 -41.8 -33.3 7.3 228 266 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.900 114.3 49.2 -60.6 -41.7 -41.8 -30.7 4.6 229 267 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.941 111.7 46.4 -64.1 -49.1 -39.9 -28.3 6.8 230 268 A R H < S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.806 112.2 54.0 -64.3 -27.0 -37.3 -30.9 7.8 231 269 A W H >< S+ 0 0 74 -4,-1.8 3,-1.4 -5,-0.2 -2,-0.2 0.929 108.8 45.3 -72.4 -48.9 -37.0 -31.8 4.1 232 270 A C H 3< S+ 0 0 0 -4,-2.4 -41,-0.2 1,-0.3 -2,-0.2 0.797 112.6 55.6 -60.5 -30.9 -36.4 -28.2 2.9 233 271 A L T 3< S+ 0 0 4 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 -0.028 75.5 144.2 -97.9 29.4 -33.9 -28.0 5.8 234 272 A A < - 0 0 17 -3,-1.4 6,-0.1 1,-0.1 -3,-0.1 -0.498 51.5-137.1 -64.1 134.3 -31.8 -31.0 4.7 235 273 A L S S+ 0 0 84 -2,-0.2 -62,-0.2 -23,-0.1 -1,-0.1 0.940 93.4 64.4 -59.3 -49.0 -28.1 -30.4 5.5 236 274 A R S > S- 0 0 162 1,-0.2 3,-2.3 -64,-0.1 4,-0.3 -0.696 81.7-145.5 -80.1 117.5 -27.1 -31.9 2.1 237 275 A P G > S+ 0 0 42 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.849 97.9 59.2 -51.3 -42.4 -28.5 -29.6 -0.6 238 276 A S G 3 S+ 0 0 99 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.612 99.0 59.2 -65.4 -13.5 -29.1 -32.6 -3.0 239 277 A D G < S+ 0 0 73 -3,-2.3 -1,-0.3 -5,-0.1 -4,-0.1 0.424 86.8 101.6 -91.2 -1.0 -31.4 -34.1 -0.3 240 278 A R S < S- 0 0 13 -3,-2.1 -8,-0.2 -4,-0.3 -9,-0.1 -0.578 79.5-110.2 -81.7 146.0 -33.6 -31.0 -0.5 241 279 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.307 26.1-120.0 -71.4 160.0 -36.8 -31.2 -2.5 242 280 A T > - 0 0 72 1,-0.1 4,-2.1 -55,-0.0 5,-0.2 -0.464 34.6 -99.9 -86.1 168.9 -37.4 -29.4 -5.8 243 281 A F H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.868 127.6 51.5 -60.8 -36.6 -40.2 -26.8 -6.1 244 282 A E H > S+ 0 0 136 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.944 109.1 49.8 -60.9 -49.1 -42.2 -29.5 -7.8 245 283 A E H 4 S+ 0 0 88 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.797 111.2 49.7 -63.9 -31.0 -41.6 -31.9 -4.9 246 284 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.931 112.5 46.3 -68.6 -47.0 -42.6 -29.2 -2.4 247 285 A Q H 3< S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.551 111.8 51.7 -78.0 -8.5 -45.9 -28.4 -4.3 248 286 A N T 3< S+ 0 0 116 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.373 84.2 119.4-101.1 -0.7 -46.7 -32.1 -4.6 249 287 A H S X S- 0 0 10 -3,-1.2 3,-1.4 -5,-0.2 4,-0.1 -0.377 75.5-121.8 -62.4 140.7 -46.2 -32.6 -0.9 250 288 A P G > S+ 0 0 56 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.788 112.0 59.1 -57.0 -30.5 -49.3 -33.8 0.9 251 289 A W G 3 S+ 0 0 3 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.763 99.9 57.7 -69.9 -24.1 -49.3 -30.8 3.2 252 290 A M G < S+ 0 0 5 -3,-1.4 3,-0.4 -6,-0.3 -1,-0.2 0.326 84.2 120.1 -87.6 7.4 -49.5 -28.5 0.2 253 291 A Q S < S+ 0 0 112 -3,-1.2 -5,-0.1 1,-0.2 -146,-0.0 -0.390 70.2 12.3 -73.4 149.8 -52.8 -30.2 -0.9 254 292 A D S S- 0 0 152 1,-0.1 -1,-0.2 -2,-0.1 -147,-0.1 0.901 80.8-168.2 52.8 53.1 -56.1 -28.3 -1.3 255 293 A V - 0 0 42 -3,-0.4 2,-0.2 -148,-0.1 -1,-0.1 -0.344 21.2-112.2 -68.3 148.7 -54.7 -24.7 -1.1 256 294 A L - 0 0 27 -152,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.559 28.0-112.2 -77.6 147.1 -57.1 -21.8 -0.6 257 295 A L > - 0 0 111 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.492 34.9-109.7 -67.8 150.3 -57.6 -19.2 -3.4 258 296 A P H > S+ 0 0 43 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.869 119.0 51.5 -54.4 -41.2 -56.2 -15.8 -2.4 259 297 A Q H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.853 109.9 48.7 -66.7 -37.1 -59.7 -14.3 -2.1 260 298 A E H > S+ 0 0 80 -3,-0.3 4,-1.9 1,-0.2 5,-0.3 0.888 107.5 57.7 -61.6 -40.2 -60.8 -17.2 0.2 261 299 A T H X>S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 5,-0.5 0.813 109.2 44.6 -63.2 -31.6 -57.7 -16.6 2.2 262 300 A A H X>S+ 0 0 0 -4,-1.3 5,-1.6 3,-0.2 4,-1.5 0.922 110.5 51.0 -79.0 -46.8 -58.7 -13.0 2.8 263 301 A E H <5S+ 0 0 126 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.1 0.816 122.4 32.7 -60.8 -34.5 -62.4 -13.5 3.7 264 302 A I H <5S+ 0 0 98 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.881 136.1 17.1 -87.5 -46.5 -61.5 -16.2 6.3 265 303 A H H <5S+ 0 0 16 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.708 126.4 41.0-106.8 -24.8 -58.1 -15.1 7.7 266 304 A L T << 0 0 22 -4,-1.5 -3,-0.2 -5,-0.5 -4,-0.1 0.613 360.0 360.0-107.5 -14.5 -57.6 -11.4 6.8 267 305 A H < 0 0 146 -5,-1.6 -1,-0.2 -127,-0.0 -4,-0.1 -0.105 360.0 360.0 -96.9 360.0 -61.0 -9.8 7.4