==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUN-13 4L3J . COMPND 2 MOLECULE: RPS6KB1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,C.ZHONG,J.DING . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 63.6 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 . 39 13.4 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 . 1 0.3 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 . 1 0.3 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 . 32 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 0 0 1 0 2 0 0 0 0 0 2 0 0 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 0 1 0 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 . 0 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 62 A K 0 0 233 0, 0.0 2,-0.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 99.1 40.7 -38.8 13.0 2 63 A I + 0 0 56 75,-0.1 75,-0.0 3,-0.0 27,-0.0 -0.518 360.0 155.9 -78.9 124.9 37.8 -36.5 13.5 3 64 A R > - 0 0 19 -2,-0.4 3,-2.4 75,-0.1 4,-0.2 -0.935 56.0 -96.5-145.7 160.2 34.6 -38.4 14.6 4 65 A P G > S+ 0 0 30 0, 0.0 3,-1.5 0, 0.0 -2,-0.0 0.803 118.9 60.4 -54.9 -35.1 31.3 -37.7 16.4 5 66 A E G 3 S+ 0 0 147 1,-0.3 22,-0.1 3,-0.0 -3,-0.0 0.563 87.9 75.8 -70.0 -7.3 32.6 -39.0 19.8 6 67 A C G < S+ 0 0 14 -3,-2.4 21,-2.5 21,-0.1 22,-0.9 0.553 94.7 61.1 -72.3 -10.0 35.3 -36.3 19.6 7 68 A F E < S-A 26 0A 12 -3,-1.5 2,-0.5 19,-0.2 19,-0.2 -0.962 72.9-143.5-130.3 136.6 32.7 -33.8 20.6 8 69 A E E -A 25 0A 85 17,-2.8 17,-2.0 -2,-0.4 2,-0.4 -0.854 26.2-125.3 -96.1 130.4 30.4 -33.4 23.6 9 70 A L E +A 24 0A 98 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.654 34.2 171.6 -77.0 125.9 26.9 -32.2 22.9 10 71 A L E - 0 0 54 13,-2.5 2,-0.3 -2,-0.4 14,-0.2 0.866 55.3 -30.9-101.3 -56.3 26.2 -29.1 25.1 11 72 A R E -A 23 0A 134 12,-1.2 12,-2.6 0, 0.0 2,-0.5 -0.984 59.3 -95.9-161.1 164.6 22.9 -27.7 23.9 12 73 A V E +A 22 0A 72 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.717 28.9 177.6 -89.6 125.6 20.7 -27.2 20.8 13 74 A L E S+ 0 0 72 8,-3.3 2,-0.3 -2,-0.5 9,-0.2 0.696 71.9 1.3 -98.1 -26.6 21.1 -23.9 19.1 14 75 A G E -A 21 0A 30 7,-1.6 7,-2.7 2,-0.0 2,-0.4 -0.966 56.6-160.0-161.1 145.5 18.6 -24.6 16.3 15 76 A K E +A 20 0A 153 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.998 22.8 159.6-129.0 129.0 16.2 -27.4 15.2 16 77 A G - 0 0 15 3,-3.2 143,-0.3 -2,-0.4 142,-0.2 -0.617 55.4 -91.1-130.6-170.6 14.8 -27.7 11.7 17 78 A G S S+ 0 0 19 141,-2.7 142,-0.2 -2,-0.2 140,-0.1 0.813 124.6 47.6 -74.4 -29.3 13.3 -30.3 9.4 18 79 A Y S S- 0 0 23 140,-0.4 24,-3.5 138,-0.4 2,-0.3 0.664 124.8 -75.4 -90.2 -14.4 16.7 -31.3 8.1 19 80 A G E - B 0 41A 14 22,-0.2 -3,-3.2 138,-0.1 2,-0.3 -0.992 54.2 -63.5 155.7-155.9 18.5 -31.6 11.4 20 81 A K E -AB 15 40A 74 20,-1.6 20,-2.8 -2,-0.3 2,-0.5 -0.865 19.2-138.9-128.9 159.3 20.0 -29.6 14.3 21 82 A V E -AB 14 39A 46 -7,-2.7 -8,-3.3 -2,-0.3 -7,-1.6 -0.992 29.9-170.5-115.2 130.5 22.7 -27.2 15.2 22 83 A F E -AB 12 38A 32 16,-3.5 16,-3.0 -2,-0.5 2,-0.5 -0.858 27.7-129.0-116.0 151.4 24.5 -27.8 18.5 23 84 A Q E -AB 11 37A 30 -12,-2.6 -13,-2.5 -2,-0.3 -12,-1.2 -0.890 44.5-175.0 -86.5 134.7 27.0 -26.0 20.7 24 85 A V E -AB 9 36A 0 12,-2.9 12,-2.5 -2,-0.5 2,-0.5 -0.897 26.1-141.0-133.0 158.7 29.7 -28.6 21.3 25 86 A R E -AB 8 35A 91 -17,-2.0 -17,-2.8 -2,-0.3 2,-0.4 -0.979 24.0-127.0-119.8 125.2 32.9 -29.1 23.3 26 87 A K E +A 7 0A 8 8,-3.1 7,-3.9 -2,-0.5 -19,-0.2 -0.569 29.1 178.0 -68.2 126.2 35.9 -30.9 21.8 27 88 A V + 0 0 63 -21,-2.5 2,-0.3 -2,-0.4 -20,-0.2 0.531 57.1 43.0-111.0 -9.3 36.9 -33.6 24.3 28 89 A T S S+ 0 0 66 -22,-0.9 3,-0.1 3,-0.0 5,-0.1 -0.817 90.5 27.5-129.6 171.1 39.8 -35.4 22.5 29 90 A G S > S- 0 0 53 -2,-0.3 3,-1.0 1,-0.2 -27,-0.0 -0.160 104.2 -44.4 73.6-168.1 42.9 -34.4 20.6 30 91 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.935 130.5 56.1 -68.6 -49.6 45.0 -31.1 20.8 31 92 A N T > S+ 0 0 72 -3,-0.1 3,-2.6 2,-0.1 -1,-0.3 0.240 77.4 165.7 -66.4 11.0 42.2 -28.6 20.9 32 93 A T T < + 0 0 86 -3,-1.0 -5,-0.2 1,-0.3 3,-0.1 -0.002 65.3 18.7 -41.3 124.0 40.6 -30.3 24.0 33 94 A G T 3 S+ 0 0 35 -7,-3.9 -1,-0.3 1,-0.3 -6,-0.1 0.155 87.6 139.3 101.9 -16.1 38.0 -28.0 25.6 34 95 A K < - 0 0 108 -3,-2.6 -8,-3.1 -8,-0.1 2,-0.4 -0.399 49.1-132.1 -68.9 136.8 37.6 -25.8 22.6 35 96 A I E +B 25 0A 52 -10,-0.2 55,-0.6 -3,-0.1 2,-0.3 -0.741 33.6 165.0 -92.1 134.4 33.9 -24.8 22.0 36 97 A F E -BC 24 89A 2 -12,-2.5 -12,-2.9 -2,-0.4 2,-0.4 -0.873 37.5-112.8-136.7 168.2 32.5 -25.1 18.4 37 98 A A E -BC 23 88A 13 51,-3.1 51,-3.1 -2,-0.3 2,-0.4 -0.897 31.8-159.7 -99.7 141.3 29.1 -25.1 16.7 38 99 A M E -BC 22 87A 5 -16,-3.0 -16,-3.5 -2,-0.4 2,-0.5 -0.986 7.0-159.8-127.0 126.9 28.1 -28.4 15.1 39 100 A K E -BC 21 86A 34 47,-2.8 47,-2.0 -2,-0.4 2,-0.5 -0.918 7.7-168.8-103.7 125.0 25.5 -28.9 12.3 40 101 A V E -BC 20 85A 10 -20,-2.8 -20,-1.6 -2,-0.5 2,-0.4 -0.957 5.9-164.5-120.4 111.7 24.1 -32.4 12.0 41 102 A L E -BC 19 84A 10 43,-2.6 43,-1.8 -2,-0.5 2,-0.7 -0.804 23.0-120.6-102.6 136.3 22.1 -33.1 8.9 42 103 A K E - C 0 83A 101 -24,-3.5 3,-0.4 -2,-0.4 4,-0.3 -0.668 20.1-160.0 -75.8 111.6 19.7 -36.1 8.4 43 104 A K S >> S+ 0 0 56 39,-2.1 4,-3.4 -2,-0.7 3,-1.9 0.900 88.2 54.0 -55.9 -48.1 21.0 -38.0 5.3 44 105 A A T 34 S+ 0 0 74 38,-0.5 4,-0.4 1,-0.3 -1,-0.2 0.779 105.8 53.2 -65.9 -26.4 17.8 -39.8 4.6 45 106 A M T 34 S+ 0 0 109 -3,-0.4 -1,-0.3 -27,-0.2 -2,-0.2 0.480 121.4 32.7 -81.4 -2.6 15.8 -36.5 4.6 46 107 A I T X4 S+ 0 0 3 -3,-1.9 3,-1.1 -4,-0.3 7,-0.4 0.756 100.0 72.7-115.7 -46.8 18.3 -35.2 2.0 47 108 A V T 3< S+ 0 0 104 -4,-3.4 -3,-0.1 1,-0.3 -2,-0.1 0.646 98.5 52.6 -51.2 -24.4 19.5 -38.2 -0.2 48 109 A R T 3 S+ 0 0 225 -4,-0.4 -1,-0.3 -5,-0.2 2,-0.2 0.860 96.9 72.6 -82.3 -39.6 16.1 -38.4 -2.0 49 110 A N <> - 0 0 64 -3,-1.1 4,-1.1 1,-0.1 5,-0.1 -0.569 66.5-158.1 -78.7 140.2 15.9 -34.7 -3.0 50 111 A A H > S+ 0 0 85 -2,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.890 91.0 44.5 -87.6 -44.5 18.3 -33.7 -5.8 51 112 A K H > S+ 0 0 159 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.722 113.2 54.3 -75.4 -22.5 18.5 -30.0 -5.3 52 113 A D H > S+ 0 0 5 -6,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 107.1 48.7 -76.9 -44.6 18.9 -30.6 -1.6 53 114 A T H X S+ 0 0 40 -4,-1.1 4,-1.8 -7,-0.4 -2,-0.2 0.892 112.9 50.0 -59.2 -41.0 21.9 -33.0 -2.0 54 115 A A H X S+ 0 0 56 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.894 110.3 48.7 -62.4 -43.3 23.5 -30.4 -4.3 55 116 A H H X S+ 0 0 82 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.886 108.4 54.8 -67.9 -38.2 23.0 -27.6 -1.8 56 117 A T H X S+ 0 0 17 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.897 110.9 44.9 -58.6 -44.7 24.5 -29.8 1.0 57 118 A K H X S+ 0 0 135 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.820 111.2 55.1 -67.8 -33.9 27.7 -30.3 -1.1 58 119 A A H X S+ 0 0 39 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.900 105.6 50.3 -69.4 -45.0 27.8 -26.6 -2.0 59 120 A E H X S+ 0 0 3 -4,-2.4 4,-1.7 2,-0.2 5,-0.2 0.917 110.9 49.9 -56.3 -47.5 27.8 -25.4 1.6 60 121 A R H X S+ 0 0 89 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.953 114.7 43.5 -55.0 -54.1 30.6 -27.8 2.4 61 122 A N H X S+ 0 0 97 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.868 113.7 50.0 -63.7 -42.1 32.6 -26.5 -0.6 62 123 A I H X S+ 0 0 33 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.954 111.8 46.1 -60.0 -52.3 32.0 -22.8 -0.1 63 124 A L H < S+ 0 0 4 -4,-1.7 11,-0.6 1,-0.2 -2,-0.2 0.849 113.2 49.1 -68.1 -35.7 32.8 -22.7 3.7 64 125 A E H < S+ 0 0 114 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.865 116.0 43.4 -67.3 -40.3 36.1 -24.7 3.2 65 126 A E H < S+ 0 0 116 -4,-1.7 2,-0.3 -5,-0.2 -2,-0.2 0.922 102.2 77.7 -71.5 -45.1 37.2 -22.5 0.3 66 127 A V < + 0 0 3 -4,-2.9 2,-0.4 -5,-0.2 8,-0.3 -0.471 48.7 174.0 -75.9 129.7 36.3 -19.1 1.9 67 128 A K + 0 0 165 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.917 24.9 137.9-130.9 106.8 38.5 -17.5 4.6 68 129 A H > - 0 0 18 3,-0.4 3,-1.8 -2,-0.4 53,-0.0 -0.992 58.3-122.9-151.1 142.2 37.2 -14.0 5.4 69 130 A P T 3 S+ 0 0 31 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.761 111.7 46.8 -61.5 -24.6 36.8 -12.2 8.7 70 131 A F T 3 S+ 0 0 0 47,-0.1 80,-2.8 79,-0.1 2,-0.4 0.190 100.4 77.4-104.0 16.6 33.0 -11.6 8.1 71 132 A I B < S-e 150 0B 1 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -0.988 89.3-104.2-128.2 137.1 32.1 -15.1 7.0 72 133 A V - 0 0 7 78,-2.4 2,-0.3 -2,-0.4 -2,-0.1 -0.270 38.9-124.6 -62.8 139.6 31.7 -18.0 9.4 73 134 A D - 0 0 40 -4,-0.1 16,-2.1 -6,-0.1 2,-0.5 -0.684 8.1-142.9 -92.6 138.8 34.6 -20.5 9.5 74 135 A L E +D 88 0A 26 -11,-0.6 14,-0.3 -2,-0.3 3,-0.1 -0.882 21.1 173.9 -92.6 126.4 34.4 -24.2 8.8 75 136 A I E + 0 0 68 12,-3.4 2,-0.3 -2,-0.5 13,-0.2 0.859 63.2 0.1 -96.4 -54.4 36.8 -26.2 11.1 76 137 A Y E -D 87 0A 53 11,-1.3 11,-3.4 2,-0.0 -1,-0.3 -0.949 53.7-168.2-134.5 159.2 35.9 -29.9 10.3 77 138 A A E +D 86 0A 26 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.965 20.1 151.9-147.0 129.0 33.5 -31.9 8.2 78 139 A F E -D 85 0A 24 7,-1.7 7,-3.4 -2,-0.3 2,-0.3 -0.944 26.1-134.5-151.4 171.3 32.7 -35.6 8.3 79 140 A Q E -D 84 0A 124 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.935 10.6-173.2-131.7 146.1 30.0 -38.3 7.6 80 141 A T - 0 0 49 3,-2.8 2,-2.1 -2,-0.3 3,-0.1 -0.679 53.4 -76.3-122.0-173.3 28.4 -41.3 9.3 81 142 A G S S+ 0 0 92 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.405 126.7 6.7 -82.5 63.9 25.9 -43.9 8.0 82 143 A G S S+ 0 0 35 -2,-2.1 -39,-2.1 1,-0.3 -38,-0.5 0.264 119.9 66.0 147.5 -14.0 23.0 -41.5 8.3 83 144 A K E -C 42 0A 95 -41,-0.2 -3,-2.8 -40,-0.1 2,-0.5 -0.987 55.7-148.0-138.3 145.8 24.3 -38.0 9.3 84 145 A L E -CD 41 79A 28 -43,-1.8 -43,-2.6 -2,-0.3 2,-0.4 -0.962 22.9-155.9-105.1 129.7 26.5 -35.3 7.8 85 146 A Y E -CD 40 78A 24 -7,-3.4 -7,-1.7 -2,-0.5 2,-0.4 -0.906 13.6-177.3-112.1 130.1 28.6 -33.2 10.3 86 147 A L E -CD 39 77A 9 -47,-2.0 -47,-2.8 -2,-0.4 2,-0.7 -0.989 11.3-158.2-121.0 124.0 29.9 -29.7 9.9 87 148 A I E +CD 38 76A 0 -11,-3.4 -12,-3.4 -2,-0.4 -11,-1.3 -0.885 22.2 174.9-102.2 111.2 32.1 -28.2 12.8 88 149 A L E -CD 37 74A 17 -51,-3.1 -51,-3.1 -2,-0.7 -14,-0.2 -0.745 40.0 -84.8-113.1 161.1 32.0 -24.4 12.5 89 150 A E E -C 36 0A 47 -16,-2.1 2,-0.5 -2,-0.3 -53,-0.2 -0.432 48.6-114.9 -61.9 137.8 33.4 -21.7 14.8 90 151 A Y - 0 0 62 -55,-0.6 2,-0.6 -2,-0.1 -1,-0.1 -0.683 27.4-157.8 -77.7 127.2 31.1 -20.9 17.7 91 152 A L - 0 0 13 -2,-0.5 3,-0.5 1,-0.1 52,-0.1 -0.918 10.9-175.7-111.9 118.0 29.8 -17.4 17.4 92 153 A S + 0 0 63 -2,-0.6 51,-0.2 1,-0.2 -1,-0.1 0.456 63.2 83.6 -95.0 -3.7 28.6 -16.0 20.8 93 154 A G S S- 0 0 4 49,-1.7 -1,-0.2 1,-0.2 50,-0.2 0.358 85.2-135.6 -88.3 7.5 27.2 -12.6 19.7 94 155 A G - 0 0 18 -3,-0.5 48,-2.4 48,-0.2 2,-0.3 -0.138 42.0 -39.1 69.9-167.0 23.7 -13.8 18.6 95 156 A E B >> -F 141 0B 45 46,-0.2 4,-1.0 1,-0.1 3,-0.9 -0.628 43.7-124.9 -90.7 151.3 21.9 -12.7 15.5 96 157 A L H 3> S+ 0 0 0 44,-3.8 4,-2.2 41,-0.6 3,-0.4 0.879 112.0 68.0 -55.3 -38.0 21.9 -9.2 14.0 97 158 A F H 3> S+ 0 0 82 40,-1.3 4,-2.2 43,-0.4 -1,-0.2 0.837 94.0 55.6 -50.9 -39.3 18.1 -9.6 14.2 98 159 A M H <> S+ 0 0 93 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.900 106.7 48.9 -63.9 -42.9 18.3 -9.6 18.1 99 160 A Q H X S+ 0 0 5 -4,-1.0 4,-2.2 -3,-0.4 -2,-0.2 0.917 111.6 50.0 -63.8 -41.9 20.2 -6.2 18.1 100 161 A L H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.897 110.3 50.4 -62.8 -40.2 17.6 -4.7 15.7 101 162 A E H < S+ 0 0 135 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.875 111.4 48.6 -64.4 -41.1 14.7 -6.0 18.0 102 163 A R H < S+ 0 0 116 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.918 120.6 35.7 -60.0 -46.1 16.4 -4.5 21.0 103 164 A E H < S- 0 0 81 -4,-2.2 2,-2.3 -5,-0.2 -2,-0.2 0.704 83.2-154.6 -88.2 -24.0 16.9 -1.1 19.4 104 165 A G S < S+ 0 0 40 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 -0.381 81.1 21.5 78.9 -63.1 13.8 -0.8 17.2 105 166 A I S S- 0 0 89 -2,-2.3 2,-0.3 -3,-0.1 98,-0.2 -0.999 81.7-132.6-134.7 133.4 15.6 1.5 14.8 106 167 A F - 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0 0 156 -5,-0.6 2,-0.2 20,-0.1 -1,-0.2 -0.848 29.7-148.6 -98.6 95.8 7.4 1.5 -5.6 226 287 A L - 0 0 36 -2,-0.9 2,-0.7 18,-0.2 -17,-0.1 -0.464 9.9-155.4 -69.7 129.7 9.9 2.6 -3.0 227 288 A N - 0 0 115 -19,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 -0.933 11.0-162.6-102.6 105.3 8.6 4.8 -0.2 228 289 A L - 0 0 40 -2,-0.7 9,-0.0 2,-0.0 -2,-0.0 -0.811 19.6-128.8 -87.6 116.5 11.6 6.8 1.2 229 290 A P > - 0 0 12 0, 0.0 3,-1.0 0, 0.0 8,-0.0 -0.441 15.2-131.7 -63.8 140.0 10.8 8.2 4.6 230 291 A P T 3 S+ 0 0 102 0, 0.0 7,-0.1 0, 0.0 -2,-0.0 0.617 96.8 65.4 -75.8 -11.0 11.6 11.9 4.6 231 292 A Y T 3 S+ 0 0 194 2,-0.0 2,-0.1 3,-0.0 3,-0.1 0.556 76.6 99.5 -92.3 -7.3 13.6 11.9 7.9 232 293 A L S < S- 0 0 15 -3,-1.0 -28,-0.0 1,-0.1 -4,-0.0 -0.461 88.1 -92.3 -67.3 152.5 16.5 9.7 6.7 233 294 A T > - 0 0 53 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.173 30.6-111.7 -62.5 158.5 19.6 11.6 5.7 234 295 A Q H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.885 120.1 51.1 -55.9 -42.7 20.1 12.7 2.1 235 296 A E H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 32,-0.3 0.905 109.6 48.0 -62.8 -45.4 23.0 10.1 1.8 236 297 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.938 113.1 48.6 -62.2 -45.6 20.9 7.2 3.2 237 298 A R H X S+ 0 0 67 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.869 109.6 52.2 -63.1 -38.4 18.0 8.0 0.8 238 299 A D H X S+ 0 0 43 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.902 111.7 45.9 -66.4 -40.8 20.3 8.2 -2.2 239 300 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.924 111.8 51.3 -67.2 -44.9 21.9 4.8 -1.5 240 301 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.912 108.7 51.3 -57.0 -45.5 18.4 3.2 -0.8 241 302 A K H < S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 112.6 47.3 -59.9 -35.7 17.1 4.5 -4.1 242 303 A K H < S+ 0 0 78 -4,-1.2 10,-1.8 -3,-0.2 3,-0.3 0.743 116.6 41.5 -81.6 -25.5 20.1 3.0 -5.9 243 304 A L H < S+ 0 0 0 -4,-1.8 2,-1.6 8,-0.2 -2,-0.2 0.891 106.8 60.0 -86.7 -44.7 20.0 -0.4 -4.2 244 305 A L S < S+ 0 0 5 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.433 73.6 137.5 -88.8 63.1 16.2 -1.1 -4.3 245 306 A K - 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0 0 31 -3,-2.0 2,-0.8 -8,-0.1 3,-0.1 -0.818 55.4-156.9 -97.6 122.3 34.5 4.4 6.6 272 333 A N > - 0 0 82 -2,-0.6 4,-2.2 1,-0.1 3,-0.2 -0.854 10.2-161.6 -89.8 106.0 38.2 3.3 6.5 273 334 A W H > S+ 0 0 66 -2,-0.8 4,-1.7 1,-0.2 -1,-0.1 0.718 85.4 51.5 -66.4 -23.9 38.0 0.0 4.5 274 335 A E H > S+ 0 0 166 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.887 113.9 43.2 -79.0 -40.5 41.5 -1.3 5.6 275 336 A E H 4>S+ 0 0 97 -3,-0.2 5,-2.7 2,-0.2 6,-0.5 0.811 113.1 53.6 -71.0 -33.4 40.8 -0.7 9.3 276 337 A L H ><5S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 5,-0.2 0.951 109.6 46.2 -66.7 -48.4 37.3 -2.2 8.9 277 338 A L H 3<5S+ 0 0 76 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.782 111.6 53.4 -62.5 -28.5 38.5 -5.4 7.3 278 339 A A T 3<5S- 0 0 47 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.440 111.7-124.5 -84.1 -4.7 41.2 -5.6 10.0 279 340 A R T < 5S+ 0 0 79 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.853 71.8 130.1 58.3 40.4 38.4 -5.3 12.7 280 341 A K < + 0 0 157 -5,-2.7 2,-0.5 -6,-0.1 -4,-0.2 0.294 45.4 94.3-100.3 4.3 40.1 -2.3 14.3 281 342 A V S S- 0 0 45 -6,-0.5 0, 0.0 -5,-0.2 0, 0.0 -0.858 82.6-121.7 -94.7 132.3 36.8 -0.4 14.3 282 343 A E - 0 0 83 -2,-0.5 -2,-0.1 1,-0.1 -136,-0.1 -0.588 26.9-125.3 -75.1 127.7 34.8 -0.7 17.5 283 344 A P - 0 0 11 0, 0.0 -136,-0.1 0, 0.0 3,-0.1 -0.320 15.5-120.7 -67.1 156.4 31.3 -2.2 16.9 284 345 A P S S+ 0 0 47 0, 0.0 2,-0.4 0, 0.0 -174,-0.1 0.772 98.3 37.1 -69.9 -24.1 28.3 -0.2 18.2 285 346 A F - 0 0 36 -139,-0.2 -186,-0.0 -175,-0.1 0, 0.0 -0.995 61.9-162.4-134.5 135.8 27.2 -3.2 20.4 286 347 A K >> - 0 0 75 -2,-0.4 3,-1.7 1,-0.1 4,-0.8 -0.908 10.1-159.5-116.8 101.0 29.3 -5.7 22.4 287 348 A P G >4 S+ 0 0 23 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.780 87.8 60.2 -57.1 -32.4 27.1 -8.7 23.2 288 349 A L G 34 S+ 0 0 158 -144,-0.6 -143,-0.1 1,-0.2 -144,-0.0 0.832 107.2 48.3 -61.1 -32.6 29.2 -9.9 26.1 289 350 A L G <4 S+ 0 0 139 -3,-1.7 -1,-0.2 2,-0.0 2,-0.1 0.666 96.1 91.8 -82.1 -21.1 28.6 -6.6 27.8 290 351 A Q << 0 0 44 -4,-0.8 -5,-0.0 -3,-0.6 0, 0.0 -0.376 360.0 360.0 -77.6 154.9 24.8 -6.7 27.2 291 352 A S 0 0 183 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.639 360.0 360.0 -90.9 360.0 22.2 -8.1 29.7