==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUL-10 3NUU . COMPND 2 MOLECULE: PKB-LIKE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.CAMPOBASSO,P.WARD . 277 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 67.1 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 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 28.5 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 2 1 0 1 1 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 . 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 . 0 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 73 A Q 0 0 147 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.7 -55.5 -4.2 13.1 2 74 A P - 0 0 112 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.247 360.0 -81.7 -59.7 157.3 -53.4 -4.1 16.3 3 75 A R - 0 0 90 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.266 60.8 -85.5 -58.5 147.3 -55.1 -2.7 19.4 4 76 A K - 0 0 140 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.246 48.0-127.5 -51.4 138.5 -55.1 1.1 19.5 5 77 A K - 0 0 50 71,-0.4 73,-0.2 -3,-0.1 -1,-0.1 -0.413 24.9-161.4 -83.2 169.6 -51.9 2.4 21.1 6 78 A R > - 0 0 112 -2,-0.1 3,-2.4 71,-0.1 4,-0.2 -0.952 35.0 -95.7-149.9 162.8 -52.0 4.8 24.0 7 79 A P G > S+ 0 0 39 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.843 118.3 62.5 -53.0 -37.8 -49.6 7.3 25.7 8 80 A E G 3 S+ 0 0 132 1,-0.3 22,-0.1 3,-0.1 -3,-0.0 0.591 89.2 71.4 -69.5 -7.3 -48.5 4.8 28.3 9 81 A D G < S+ 0 0 36 -3,-2.4 21,-2.5 21,-0.1 22,-0.4 0.570 98.1 59.9 -78.5 -9.7 -47.1 2.5 25.6 10 82 A F E < -A 29 0A 13 -3,-2.0 2,-0.7 19,-0.2 19,-0.2 -0.881 69.7-139.8-123.8 149.8 -44.3 5.0 25.1 11 83 A K E -A 28 0A 147 17,-2.7 17,-2.5 -2,-0.3 2,-0.2 -0.951 36.4-144.4 -98.4 112.4 -41.4 6.6 26.9 12 84 A F E +A 27 0A 71 -2,-0.7 15,-0.2 15,-0.2 2,-0.1 -0.538 24.5 173.8 -80.5 147.1 -41.5 10.1 25.6 13 85 A G E - 0 0 42 13,-3.5 -1,-0.1 1,-0.3 3,-0.1 -0.146 38.6 -11.1-125.1-140.2 -38.2 12.0 25.1 14 86 A K E - 0 0 135 11,-0.1 12,-3.0 1,-0.1 2,-0.4 -0.172 66.1-105.4 -69.0 155.8 -37.1 15.3 23.7 15 87 A I E -A 25 0A 90 10,-0.2 10,-0.3 1,-0.1 3,-0.1 -0.677 31.0-173.0 -76.5 129.8 -39.2 17.8 21.7 16 88 A L E - 0 0 63 8,-3.3 2,-0.3 -2,-0.4 9,-0.2 0.673 65.2 -9.1 -98.5 -24.8 -38.2 17.6 18.0 17 89 A G E -A 24 0A 29 7,-1.5 7,-3.4 2,-0.0 2,-0.5 -0.936 49.6-141.3-173.0 149.3 -40.2 20.4 16.7 18 90 A E - 0 0 148 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.679 37.7-176.9-123.4 76.7 -42.9 22.8 17.7 19 91 A G - 0 0 46 -2,-0.5 3,-0.1 2,-0.1 -2,-0.0 0.446 41.1 -69.3 -65.7-159.9 -45.2 23.2 14.7 20 92 A S S S- 0 0 87 1,-0.2 3,-0.0 3,-0.0 -2,-0.0 0.962 122.4 -8.3 -64.4 -60.7 -48.2 25.3 13.9 21 93 A F S S+ 0 0 38 30,-0.0 21,-0.4 20,-0.0 2,-0.3 -0.177 130.8 61.0-126.4 36.9 -50.9 23.7 16.1 22 94 A S - 0 0 14 19,-0.2 2,-0.4 -3,-0.1 19,-0.2 -0.970 62.8-140.5-157.2 162.8 -48.8 20.7 17.2 23 95 A T E - B 0 40A 48 17,-2.1 17,-3.2 -2,-0.3 2,-0.6 -0.999 17.9-145.0-132.7 133.4 -45.6 19.6 19.0 24 96 A V E -AB 17 39A 25 -7,-3.4 -8,-3.3 -2,-0.4 -7,-1.5 -0.897 20.5-173.6-102.5 124.9 -43.5 16.7 17.7 25 97 A V E -AB 15 38A 15 13,-2.7 13,-2.7 -2,-0.6 2,-0.3 -0.935 26.5-119.9-120.8 135.1 -41.9 14.6 20.5 26 98 A L E - B 0 37A 21 -12,-3.0 -13,-3.5 -2,-0.4 2,-0.4 -0.560 39.9-177.3 -68.2 132.2 -39.4 11.8 20.1 27 99 A A E -AB 12 36A 1 9,-2.9 9,-3.2 -2,-0.3 2,-0.6 -0.996 23.2-150.0-138.8 139.6 -40.9 8.6 21.6 28 100 A R E -AB 11 35A 100 -17,-2.5 -17,-2.7 -2,-0.4 2,-0.4 -0.942 21.4-133.7-106.8 121.6 -39.7 5.0 22.2 29 101 A E E > -A 10 0A 11 5,-3.0 4,-2.4 -2,-0.6 3,-0.4 -0.608 12.6-149.2 -70.6 123.5 -42.3 2.3 22.1 30 102 A L T 4 S+ 0 0 113 -21,-2.5 -1,-0.1 -2,-0.4 -20,-0.1 0.923 90.9 51.9 -62.6 -49.1 -41.7 0.1 25.1 31 103 A A T 4 S+ 0 0 96 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.750 128.1 19.4 -59.6 -26.3 -42.9 -3.2 23.6 32 104 A T T 4 S- 0 0 59 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.540 90.8-128.5-124.0 -14.6 -40.7 -3.0 20.5 33 105 A S < + 0 0 71 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.540 58.5 150.0 66.5 12.5 -38.0 -0.5 21.4 34 106 A R - 0 0 150 -5,-0.3 -5,-3.0 -6,-0.1 2,-0.5 -0.477 43.0-133.3 -74.8 141.1 -38.9 1.4 18.1 35 107 A E E +B 28 0A 59 -7,-0.2 54,-0.5 -2,-0.2 2,-0.3 -0.841 27.5 178.0 -96.3 128.7 -38.4 5.2 17.9 36 108 A Y E -B 27 0A 14 -9,-3.2 -9,-2.9 -2,-0.5 2,-0.8 -0.933 32.4-130.7-124.5 152.3 -41.2 7.3 16.5 37 109 A A E -BC 26 87A 8 50,-2.6 50,-2.3 -2,-0.3 2,-0.6 -0.913 33.0-159.3 -95.3 107.0 -41.7 11.0 16.0 38 110 A I E -BC 25 86A 0 -13,-2.7 -13,-2.7 -2,-0.8 2,-0.6 -0.821 6.5-149.2 -98.2 119.0 -45.1 11.5 17.6 39 111 A K E -BC 24 85A 18 46,-2.5 46,-2.5 -2,-0.6 2,-0.5 -0.764 15.7-160.4 -86.5 122.9 -47.0 14.6 16.5 40 112 A I E -BC 23 84A 30 -17,-3.2 -17,-2.1 -2,-0.6 2,-0.4 -0.915 10.1-177.3-113.6 125.6 -49.2 15.8 19.4 41 113 A L E - C 0 83A 1 42,-2.6 42,-3.3 -2,-0.5 2,-0.6 -0.982 24.5-130.6-126.2 132.4 -52.2 18.1 18.8 42 114 A E E > - C 0 82A 92 -2,-0.4 4,-2.2 -21,-0.4 40,-0.2 -0.701 13.4-150.8 -83.3 119.1 -54.5 19.6 21.5 43 115 A K H > S+ 0 0 52 38,-2.3 4,-2.8 -2,-0.6 5,-0.2 0.906 92.6 51.8 -56.4 -47.7 -58.1 19.1 20.5 44 116 A R H > S+ 0 0 161 37,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.924 111.1 47.9 -59.0 -44.5 -59.5 22.2 22.2 45 117 A H H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.888 111.5 50.2 -64.5 -39.4 -57.0 24.5 20.5 46 118 A I H <>S+ 0 0 7 -4,-2.2 5,-2.5 2,-0.2 6,-0.3 0.941 113.6 45.4 -64.4 -45.5 -57.7 22.9 17.1 47 119 A I H ><5S+ 0 0 112 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.938 112.1 52.0 -61.1 -47.3 -61.4 23.4 17.5 48 120 A K H 3<5S+ 0 0 99 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 112.5 44.7 -58.3 -36.1 -61.0 27.0 18.8 49 121 A E T 3<5S- 0 0 89 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.303 112.2-117.1 -94.2 9.0 -58.8 28.0 15.8 50 122 A N T < 5S+ 0 0 134 -3,-1.5 -3,-0.2 -4,-0.2 4,-0.2 0.936 72.0 134.6 54.2 52.4 -61.1 26.3 13.3 51 123 A K >< + 0 0 68 -5,-2.5 4,-2.7 1,-0.1 5,-0.3 0.172 26.4 107.7-116.4 13.6 -58.5 23.8 12.2 52 124 A V H > S+ 0 0 74 -6,-0.3 4,-2.5 2,-0.2 5,-0.2 0.919 85.0 48.7 -56.5 -42.8 -60.5 20.6 12.1 53 125 A P H > S+ 0 0 83 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.941 110.8 52.7 -60.6 -43.6 -60.3 20.7 8.3 54 126 A Y H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.925 114.0 39.7 -53.8 -53.0 -56.6 21.3 8.5 55 127 A V H X S+ 0 0 8 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.857 113.9 54.5 -71.5 -34.8 -55.9 18.3 10.8 56 128 A T H X S+ 0 0 68 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.911 110.3 46.5 -63.9 -42.3 -58.3 16.1 8.9 57 129 A R H X S+ 0 0 42 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.915 109.2 55.3 -66.2 -42.8 -56.6 16.8 5.6 58 130 A E H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.937 112.5 41.5 -55.5 -49.5 -53.2 16.2 7.2 59 131 A R H X S+ 0 0 104 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.890 114.8 51.1 -67.1 -39.7 -54.2 12.8 8.4 60 132 A D H X S+ 0 0 88 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.879 112.6 45.5 -68.7 -37.7 -56.0 11.9 5.2 61 133 A V H >X S+ 0 0 1 -4,-2.9 3,-1.2 2,-0.2 4,-0.7 0.947 113.1 49.7 -67.5 -47.9 -53.0 12.9 3.0 62 134 A M H >< S+ 0 0 3 -4,-2.3 3,-0.9 -5,-0.3 11,-0.5 0.854 104.6 58.2 -62.4 -35.1 -50.5 11.1 5.1 63 135 A S H 3< S+ 0 0 73 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.736 105.7 52.0 -65.1 -21.5 -52.6 7.9 5.1 64 136 A R H << S+ 0 0 115 -3,-1.2 2,-0.4 -4,-0.6 -1,-0.2 0.585 88.2 96.8 -91.8 -14.3 -52.4 7.9 1.4 65 137 A L << + 0 0 13 -3,-0.9 8,-0.3 -4,-0.7 59,-0.0 -0.651 35.4 160.8 -82.7 129.3 -48.6 8.2 1.2 66 138 A D + 0 0 131 -2,-0.4 6,-0.1 6,-0.1 -1,-0.1 -0.506 36.4 109.0-141.5 71.0 -46.6 5.0 0.7 67 139 A H > - 0 0 46 4,-0.2 3,-2.0 3,-0.2 -2,-0.0 -0.997 69.3-124.2-151.1 139.7 -43.2 6.0 -0.6 68 140 A P T 3 S+ 0 0 58 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.659 107.4 61.3 -65.0 -16.5 -39.7 6.1 1.0 69 141 A F T 3 S+ 0 0 3 79,-0.1 80,-3.0 2,-0.1 2,-0.4 0.310 99.5 69.4 -92.0 10.1 -39.2 9.8 0.3 70 142 A F B < S-e 149 0B 7 -3,-2.0 80,-0.2 78,-0.3 -3,-0.2 -0.952 91.8 -97.7-126.0 147.8 -42.2 10.8 2.5 71 143 A V - 0 0 3 78,-2.8 2,-0.4 -2,-0.4 -4,-0.2 -0.258 42.6-135.0 -48.2 142.8 -42.9 10.7 6.2 72 144 A K - 0 0 88 -6,-0.1 16,-1.6 -4,-0.1 2,-0.7 -0.904 3.4-144.0-108.8 137.5 -44.9 7.6 7.1 73 145 A L E +D 87 0A 31 -11,-0.5 14,-0.2 -2,-0.4 3,-0.1 -0.904 23.2 172.8 -96.4 113.7 -48.0 7.6 9.4 74 146 A Y E - 0 0 104 12,-3.2 2,-0.3 -2,-0.7 -1,-0.2 0.815 59.2 -19.1 -91.2 -35.4 -47.8 4.4 11.4 75 147 A F E -D 86 0A 22 11,-1.0 11,-3.1 2,-0.0 2,-0.3 -0.983 50.9-149.1-163.5 164.3 -50.7 4.9 13.8 76 148 A T E +D 85 0A 9 -2,-0.3 -71,-0.4 9,-0.2 2,-0.3 -0.973 20.8 155.8-137.4 155.0 -53.0 7.4 15.5 77 149 A F E -D 84 0A 10 7,-1.6 7,-3.0 -2,-0.3 2,-0.3 -0.961 17.5-153.7-162.4 174.9 -54.7 7.6 18.8 78 150 A Q E -D 83 0A 120 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.965 3.8-160.1-146.6 161.7 -56.2 10.1 21.2 79 151 A D - 0 0 48 3,-2.1 5,-0.0 -2,-0.3 -2,-0.0 -0.620 55.7 -68.6-124.3-163.7 -56.9 10.7 24.8 80 152 A D S S+ 0 0 144 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.860 130.3 19.5 -55.1 -37.8 -59.3 13.2 26.5 81 153 A E S S+ 0 0 112 1,-0.1 -38,-2.3 -38,-0.1 -37,-0.5 0.761 117.7 47.6-107.3 -29.0 -57.3 16.2 25.5 82 154 A K E -C 42 0A 85 -40,-0.2 -3,-2.1 -39,-0.1 2,-0.4 -0.831 54.8-139.2-129.7 154.3 -54.9 15.3 22.6 83 155 A L E -CD 41 78A 36 -42,-3.3 -42,-2.6 -2,-0.3 2,-0.4 -0.883 24.1-157.3-101.7 141.2 -54.5 13.7 19.2 84 156 A Y E -CD 40 77A 14 -7,-3.0 -7,-1.6 -2,-0.4 2,-0.5 -0.983 8.3-167.5-124.5 127.8 -51.4 11.7 18.5 85 157 A F E -CD 39 76A 6 -46,-2.5 -46,-2.5 -2,-0.4 2,-0.9 -0.962 15.5-146.0-111.9 118.5 -49.8 10.9 15.1 86 158 A G E +CD 38 75A 0 -11,-3.1 -12,-3.2 -2,-0.5 -11,-1.0 -0.748 31.9 175.9 -85.5 108.3 -47.2 8.2 15.1 87 159 A L E -CD 37 73A 6 -50,-2.3 -50,-2.6 -2,-0.9 -14,-0.2 -0.724 36.8 -91.3-114.0 156.7 -44.7 9.3 12.4 88 160 A S - 0 0 17 -16,-1.6 2,-0.6 -2,-0.3 -52,-0.1 -0.399 42.6-125.2 -62.0 143.1 -41.4 8.1 11.1 89 161 A Y - 0 0 43 -54,-0.5 2,-1.1 -2,-0.1 3,-0.1 -0.832 11.7-150.2 -96.9 119.6 -38.5 9.7 12.8 90 162 A A > - 0 0 8 -2,-0.6 3,-1.8 1,-0.2 51,-0.2 -0.766 12.1-164.1 -91.1 97.5 -36.0 11.4 10.5 91 163 A K T 3 S+ 0 0 76 -2,-1.1 51,-0.2 1,-0.3 -1,-0.2 0.776 79.6 50.8 -58.9 -34.6 -32.8 10.9 12.5 92 164 A N T 3 S- 0 0 45 49,-1.9 -1,-0.3 1,-0.2 50,-0.2 0.403 96.5-145.3 -92.0 5.2 -30.7 13.5 10.7 93 165 A G E < +F 141 0B 26 -3,-1.8 48,-2.0 48,-0.5 -1,-0.2 -0.278 46.1 1.3 74.4-154.1 -33.1 16.4 10.9 94 166 A E E >> -F 140 0B 81 46,-0.2 4,-1.0 1,-0.1 3,-0.7 -0.444 48.1-136.3 -82.2 142.1 -33.7 19.2 8.3 95 167 A L H >> S+ 0 0 0 44,-2.7 4,-2.0 41,-0.7 3,-0.6 0.872 108.6 64.8 -51.8 -39.8 -32.0 19.7 4.9 96 168 A L H 3> S+ 0 0 7 40,-1.8 4,-2.3 43,-0.3 -1,-0.2 0.882 93.7 60.3 -53.9 -39.6 -31.8 23.3 5.9 97 169 A K H <> S+ 0 0 87 -3,-0.7 4,-2.3 39,-0.3 -1,-0.2 0.897 106.8 44.7 -56.4 -42.5 -29.4 22.3 8.7 98 170 A Y H - 0 0 89 -2,-0.2 4,-2.5 172,-0.1 5,-0.2 -0.273 40.9 -95.2 -74.4 175.5 -21.2 20.7 -4.7 107 179 A E H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.869 122.6 53.1 -65.5 -37.6 -22.7 19.7 -8.0 108 180 A T H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 114.2 41.6 -63.8 -43.9 -22.8 16.0 -7.2 109 181 A C H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.851 114.0 52.1 -73.4 -37.9 -24.7 16.5 -3.9 110 182 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.958 112.7 46.5 -58.6 -51.3 -27.0 19.1 -5.5 111 183 A R H X S+ 0 0 39 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.938 113.3 47.6 -56.9 -51.8 -27.8 16.7 -8.3 112 184 A F H X S+ 0 0 17 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.939 117.8 40.2 -59.5 -48.2 -28.5 13.7 -6.1 113 185 A Y H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.850 113.3 53.4 -73.7 -33.7 -30.7 15.6 -3.6 114 186 A T H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.922 108.2 52.9 -62.5 -41.2 -32.5 17.6 -6.3 115 187 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.3 -2,-0.2 0.905 106.1 51.9 -62.4 -43.8 -33.3 14.2 -8.0 116 188 A E H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.934 111.8 47.0 -57.9 -44.6 -34.8 12.8 -4.8 117 189 A I H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.954 113.3 47.3 -62.9 -50.5 -37.1 15.8 -4.5 118 190 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.943 113.4 49.6 -52.3 -49.3 -38.2 15.7 -8.1 119 191 A S H X S+ 0 0 18 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.862 112.3 47.8 -61.7 -36.9 -38.7 11.9 -7.8 120 192 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.921 111.3 50.1 -67.6 -44.6 -40.8 12.6 -4.6 121 193 A L H X S+ 0 0 1 -4,-3.3 4,-3.4 1,-0.2 5,-0.3 0.887 106.2 56.3 -64.1 -37.0 -42.8 15.3 -6.3 122 194 A E H X S+ 0 0 70 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.939 110.9 44.2 -58.4 -45.1 -43.5 13.0 -9.3 123 195 A Y H X S+ 0 0 47 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.937 116.3 46.4 -63.1 -47.5 -45.0 10.5 -6.9 124 196 A L H ><>S+ 0 0 1 -4,-2.7 5,-1.7 1,-0.2 3,-1.4 0.945 112.8 48.3 -62.0 -48.0 -47.0 13.1 -4.9 125 197 A H H ><5S+ 0 0 4 -4,-3.4 3,-1.5 1,-0.3 -1,-0.2 0.809 102.9 63.1 -69.3 -26.0 -48.3 14.8 -8.0 126 198 A G H 3<5S+ 0 0 66 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.698 101.5 52.4 -67.8 -19.1 -49.4 11.5 -9.5 127 199 A K T <<5S- 0 0 81 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.295 122.1-108.0 -98.1 8.5 -51.8 11.1 -6.6 128 200 A G T < 5S+ 0 0 20 -3,-1.5 30,-3.0 1,-0.2 2,-0.4 0.769 74.3 138.0 71.5 29.2 -53.3 14.5 -7.3 129 201 A I E < -H 157 0C 0 -5,-1.7 2,-0.4 28,-0.2 -1,-0.2 -0.899 37.6-162.8-113.4 134.1 -51.7 16.1 -4.2 130 202 A I E -H 156 0C 0 26,-2.8 26,-2.7 -2,-0.4 51,-0.1 -0.942 7.4-158.3-108.6 134.4 -50.0 19.5 -3.9 131 203 A H - 0 0 0 -2,-0.4 -1,-0.2 24,-0.2 50,-0.1 0.965 13.3-171.5 -76.0 -55.4 -47.7 20.2 -1.0 132 204 A R S S+ 0 0 23 48,-0.1 32,-0.4 49,-0.1 -1,-0.1 0.305 73.5 54.0 84.0 -8.4 -48.0 24.0 -1.1 133 205 A D + 0 0 16 31,-0.1 2,-0.2 18,-0.1 5,-0.1 -0.118 68.6 160.5-147.3 41.7 -45.2 24.7 1.5 134 206 A L + 0 0 3 34,-0.1 31,-0.1 3,-0.1 17,-0.1 -0.484 16.3 138.0 -72.9 135.2 -42.2 22.8 0.3 135 207 A K >> - 0 0 29 -2,-0.2 3,-1.8 55,-0.0 4,-0.9 -0.973 67.3 -95.2-172.0 159.2 -39.0 23.9 1.8 136 208 A P T 34 S+ 0 0 0 0, 0.0 -40,-1.8 0, 0.0 -41,-0.7 0.674 121.0 61.3 -60.2 -18.0 -35.6 22.7 3.2 137 209 A E T 34 S+ 0 0 49 -42,-0.2 -3,-0.1 1,-0.2 -40,-0.0 0.782 109.7 40.8 -75.0 -28.4 -37.2 23.0 6.7 138 210 A N T <4 S+ 0 0 16 -3,-1.8 12,-2.3 -5,-0.1 2,-0.9 0.450 96.7 84.6 -97.3 -10.5 -39.8 20.4 5.7 139 211 A I E < - G 0 149B 0 -4,-0.9 -44,-2.7 10,-0.2 -43,-0.3 -0.867 68.4-172.1 -96.8 103.6 -37.5 18.1 3.8 140 212 A L E -FG 94 148B 35 8,-2.5 8,-2.1 -2,-0.9 2,-0.4 -0.366 16.5-129.5 -93.0 171.5 -35.9 15.9 6.4 141 213 A L E -FG 93 147B 0 -48,-2.0 -49,-1.9 -51,-0.2 -48,-0.5 -0.988 15.6-141.2-125.6 133.2 -33.1 13.4 6.3 142 214 A N > - 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0 0 5 -3,-1.0 -36,-0.1 -4,-0.8 -6,-0.0 -0.405 58.5-127.0 -63.3 132.6 -44.4 31.3 -2.3 170 250 A S >> - 0 0 3 -2,-0.1 3,-1.0 1,-0.1 4,-0.8 -0.525 18.3-115.1 -81.8 150.5 -45.2 31.1 -6.0 171 251 A P H >> S+ 0 0 8 0, 0.0 4,-1.0 0, 0.0 3,-1.0 0.819 111.9 62.3 -52.5 -38.8 -46.3 34.2 -7.9 172 252 A E H 3>>S+ 0 0 12 1,-0.3 4,-1.4 2,-0.2 6,-0.9 0.822 98.7 55.7 -62.9 -32.9 -49.8 32.8 -8.6 173 253 A L H <45S+ 0 0 16 -3,-1.0 4,-0.4 1,-0.2 -1,-0.3 0.786 109.1 48.1 -64.9 -28.5 -50.5 32.6 -4.8 174 254 A L H <<5S+ 0 0 53 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.682 122.4 32.4 -84.2 -18.1 -49.8 36.4 -4.7 175 255 A T H <5S+ 0 0 88 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.1 0.416 135.5 14.1-121.0 -3.1 -51.9 37.3 -7.6 176 256 A E T <5S- 0 0 130 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.498 83.2-122.7-148.0 -17.8 -54.9 34.8 -7.6 177 257 A K S > - 0 0 47 -2,-0.3 3,-2.0 -22,-0.0 4,-0.6 -0.865 54.7 -85.8-144.1 177.0 -51.6 24.0 -8.5 181 261 A K H >> S+ 0 0 43 1,-0.3 3,-1.5 -2,-0.3 4,-1.0 0.876 124.3 64.9 -56.0 -37.9 -48.9 21.3 -8.9 182 262 A S H 3> S+ 0 0 4 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.729 87.5 70.1 -60.1 -20.7 -46.8 23.8 -10.7 183 263 A S H <> S+ 0 0 9 -3,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.867 97.6 50.7 -64.4 -35.7 -46.6 25.8 -7.4 184 264 A D H S- 0 0 81 1,-0.1 4,-1.6 0, 0.0 3,-0.2 -0.957 80.7 -94.8-153.4 171.4 -39.9 41.8 5.3 207 287 A E H > S+ 0 0 120 -2,-0.3 4,-3.2 1,-0.2 3,-0.3 0.912 119.2 57.3 -56.9 -46.9 -42.5 39.7 3.6 208 288 A Y H > S+ 0 0 150 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 109.6 44.3 -51.1 -47.8 -44.0 42.6 1.7 209 289 A L H > S+ 0 0 66 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.771 113.3 51.4 -71.7 -27.4 -40.7 43.3 -0.0 210 290 A I H X S+ 0 0 13 -4,-1.6 4,-2.5 -3,-0.3 -2,-0.2 0.933 109.1 49.6 -71.0 -48.7 -40.1 39.6 -0.7 211 291 A F H X S+ 0 0 45 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.868 108.6 55.8 -56.0 -38.0 -43.5 39.2 -2.3 212 292 A Q H X S+ 0 0 77 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.2 0.897 108.6 45.6 -59.7 -45.6 -42.6 42.2 -4.4 213 293 A K H <>S+ 0 0 61 -4,-1.4 5,-3.4 2,-0.2 3,-0.3 0.891 109.7 56.0 -66.5 -40.8 -39.4 40.6 -5.7 214 294 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.952 107.8 45.9 -56.4 -52.5 -41.2 37.4 -6.4 215 295 A I H 3<5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.669 115.4 47.1 -72.4 -14.8 -43.9 38.9 -8.7 216 296 A K T 3<5S- 0 0 130 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.365 109.8-125.6 -98.0 2.6 -41.3 40.9 -10.5 217 297 A L T < 5 + 0 0 60 -3,-1.7 2,-1.1 -4,-0.3 -3,-0.2 0.916 47.9 173.5 51.8 46.2 -39.1 37.8 -10.8 218 298 A E < + 0 0 86 -5,-3.4 2,-0.3 -6,-0.1 -1,-0.2 -0.707 25.1 94.2 -95.6 93.4 -36.4 39.9 -9.2 219 299 A Y - 0 0 43 -2,-1.1 2,-0.3 -3,-0.2 -17,-0.1 -0.955 46.8-154.4-158.9 168.0 -33.3 37.7 -8.4 220 300 A D - 0 0 126 -19,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.979 20.4-105.5-149.3 169.3 -30.0 36.8 -10.0 221 301 A F - 0 0 27 -2,-0.3 -28,-0.0 1,-0.1 -2,-0.0 -0.688 30.3-117.9 -95.8 141.9 -27.4 34.0 -10.0 222 302 A P > - 0 0 58 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.290 36.4-105.2 -65.1 164.1 -23.9 34.2 -8.4 223 303 A E T 3 S+ 0 0 114 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 0.818 115.4 50.3 -65.1 -33.8 -21.0 33.8 -10.8 224 304 A K T 3 S+ 0 0 91 2,-0.1 -1,-0.2 -27,-0.0 -27,-0.0 0.639 74.5 136.7 -83.4 -15.4 -20.1 30.2 -9.9 225 305 A F < - 0 0 13 -3,-0.7 5,-0.1 1,-0.1 -4,-0.0 0.004 69.7-101.1 -39.6 122.2 -23.6 28.7 -10.2 226 306 A F > - 0 0 44 1,-0.1 4,-2.7 3,-0.1 5,-0.2 -0.264 31.8-133.6 -50.6 124.6 -23.3 25.4 -12.1 227 307 A P H > S+ 0 0 106 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.857 101.7 45.7 -54.9 -43.9 -24.4 26.3 -15.7 228 308 A K H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 33,-0.3 0.895 113.3 49.9 -71.6 -36.5 -26.8 23.3 -16.2 229 309 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 109.3 53.7 -63.9 -39.0 -28.4 23.9 -12.7 230 310 A R H X S+ 0 0 104 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.954 108.3 48.4 -58.7 -49.2 -28.8 27.5 -13.7 231 311 A D H X S+ 0 0 55 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.921 111.9 50.5 -57.3 -43.0 -30.6 26.6 -16.9 232 312 A L H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.928 110.2 48.4 -61.5 -45.9 -32.8 24.2 -14.9 233 313 A V H >X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.3 3,-1.0 0.889 108.1 55.0 -64.1 -38.8 -33.7 26.9 -12.3 234 314 A E H 3< S+ 0 0 82 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.815 107.4 51.2 -62.5 -27.5 -34.5 29.4 -15.1 235 315 A K H 3< S+ 0 0 88 -4,-1.3 10,-2.4 -3,-0.4 -1,-0.2 0.576 117.3 38.9 -85.6 -8.8 -36.9 26.8 -16.5 236 316 A L H << S+ 0 0 0 -3,-1.0 2,-2.0 -4,-0.6 -2,-0.2 0.768 102.6 66.6-106.3 -41.9 -38.6 26.4 -13.0 237 317 A L S < S+ 0 0 3 -4,-3.3 2,-0.4 -5,-0.1 -1,-0.2 -0.547 72.2 138.3 -81.1 76.1 -38.7 30.0 -11.8 238 318 A V - 0 0 35 -2,-2.0 5,-0.1 -3,-0.2 6,-0.1 -0.989 53.7-141.6-126.0 127.5 -41.1 31.2 -14.4 239 319 A L S S+ 0 0 70 -2,-0.4 2,-0.8 4,-0.1 -67,-0.2 0.890 88.5 74.7 -59.0 -43.4 -43.9 33.5 -13.6 240 320 A D S > S- 0 0 72 1,-0.2 3,-2.0 -3,-0.1 4,-0.2 -0.628 75.0-153.5 -72.2 110.3 -46.4 31.8 -15.9 241 321 A A G > S+ 0 0 16 -2,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.689 90.0 61.9 -61.4 -19.3 -47.3 28.6 -14.0 242 322 A T G 3 S+ 0 0 56 1,-0.2 -1,-0.3 7,-0.1 -2,-0.1 0.435 100.2 55.0 -88.2 2.7 -48.1 26.7 -17.2 243 323 A K G < S+ 0 0 121 -3,-2.0 2,-0.4 -5,-0.1 -1,-0.2 0.311 76.1 116.5-118.4 6.7 -44.6 27.2 -18.6 244 324 A R S X S- 0 0 0 -3,-0.6 3,-2.1 -4,-0.2 6,-0.3 -0.631 76.2-105.4 -78.6 131.9 -42.6 25.6 -15.7 245 325 A L T 3 S+ 0 0 16 -10,-2.4 3,-0.1 -2,-0.4 -1,-0.1 -0.330 107.0 30.0 -55.5 124.6 -40.6 22.5 -16.6 246 326 A G T 3 S+ 0 0 3 1,-0.4 -1,-0.2 6,-0.4 8,-0.1 0.093 89.3 117.4 111.1 -22.9 -42.5 19.5 -15.1 247 327 A C S X >S- 0 0 6 -3,-2.1 5,-2.2 5,-0.1 3,-1.1 -0.339 78.0-106.7 -75.6 162.2 -46.0 20.8 -15.2 248 328 A E G > 5S+ 0 0 121 1,-0.3 3,-1.9 3,-0.2 -1,-0.1 0.828 118.4 58.0 -57.3 -38.6 -48.8 19.1 -17.3 249 329 A E G 3 5S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.1 -7,-0.1 0.751 107.3 49.1 -69.0 -22.0 -48.8 21.8 -19.9 250 330 A M G < 5S- 0 0 75 -3,-1.1 -1,-0.3 -6,-0.3 -2,-0.2 0.188 130.9 -97.2 -98.6 13.8 -45.1 21.1 -20.5 251 331 A E T X 5 - 0 0 146 -3,-1.9 3,-0.5 3,-0.1 -3,-0.2 0.757 60.8 -98.5 76.7 28.8 -45.9 17.4 -20.7 252 332 A G T 3>< - 0 0 17 -5,-2.2 4,-0.8 1,-0.2 -6,-0.4 -0.133 69.6 -22.2 81.0-158.3 -45.0 16.4 -17.2 253 333 A Y H 3> S+ 0 0 25 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.673 113.3 76.5 -76.9 -19.2 -42.1 14.8 -15.4 254 334 A G H <> S+ 0 0 49 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.968 100.1 40.5 -55.4 -57.8 -40.4 13.2 -18.4 255 335 A P H 4 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.857 115.3 53.4 -62.2 -34.3 -38.9 16.4 -19.8 256 336 A L H >< S+ 0 0 0 -4,-0.8 3,-1.7 1,-0.2 -2,-0.2 0.972 111.9 44.2 -61.5 -52.6 -38.0 17.6 -16.3 257 337 A K H 3< S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.744 108.6 59.5 -63.6 -23.2 -36.2 14.3 -15.6 258 338 A A T 3< S+ 0 0 77 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.434 76.5 128.5 -84.2 0.2 -34.5 14.5 -19.0 259 339 A H S X S- 0 0 8 -3,-1.7 3,-1.9 -4,-0.2 -3,-0.1 -0.294 70.9-120.1 -60.0 142.0 -32.9 17.9 -18.2 260 340 A P G > S+ 0 0 60 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.778 110.9 67.5 -53.8 -33.8 -29.1 17.9 -18.9 261 341 A F G 3 S+ 0 0 0 -33,-0.3 3,-0.3 1,-0.3 -32,-0.1 0.848 104.7 44.9 -55.0 -32.1 -28.4 18.7 -15.3 262 342 A F G X S+ 0 0 3 -3,-1.9 3,-2.3 -6,-0.2 -1,-0.3 0.230 76.2 122.3 -96.7 13.8 -29.7 15.2 -14.5 263 343 A E T < S+ 0 0 152 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.843 77.8 41.5 -47.5 -46.8 -27.9 13.4 -17.3 264 344 A S T 3 S+ 0 0 94 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.483 91.3 113.5 -83.0 -2.4 -26.0 11.0 -15.0 265 345 A V < - 0 0 23 -3,-2.3 2,-0.7 -8,-0.1 -3,-0.0 -0.501 55.5-151.4 -75.9 133.6 -29.0 10.3 -12.7 266 346 A T - 0 0 84 -2,-0.2 3,-0.5 1,-0.1 -2,-0.1 -0.926 13.9-172.1-101.6 110.5 -30.6 6.8 -12.6 267 347 A W > + 0 0 44 -2,-0.7 3,-0.7 1,-0.2 -1,-0.1 0.686 67.2 71.9 -79.2 -23.6 -34.2 7.6 -11.7 268 348 A E T 3 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.793 111.9 19.4 -69.9 -31.0 -35.5 4.1 -11.2 269 349 A N T >> + 0 0 72 -3,-0.5 3,-1.7 1,-0.1 4,-0.7 -0.142 67.5 141.2-138.2 44.2 -33.8 3.3 -7.9 270 350 A L G X4 S+ 0 0 6 -3,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.883 77.1 57.0 -53.5 -41.6 -32.6 6.5 -6.2 271 351 A H G 34 S+ 0 0 61 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.675 104.7 52.7 -68.0 -15.9 -33.6 5.1 -2.7 272 352 A Q G <4 S+ 0 0 148 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.568 94.3 91.2 -91.8 -12.7 -31.3 2.1 -3.3 273 353 A Q S << S- 0 0 56 -3,-1.3 -3,-0.0 -4,-0.7 0, 0.0 -0.461 83.8-113.1 -82.1 156.4 -28.3 4.3 -4.2 274 354 A T - 0 0 131 -2,-0.1 3,-0.1 1,-0.0 -129,-0.1 -0.825 35.3-120.0 -91.7 119.4 -25.8 5.6 -1.6 275 355 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.244 29.9-104.0 -59.9 143.1 -26.1 9.3 -1.1 276 356 A P - 0 0 30 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.424 46.1 -98.1 -63.7 139.3 -22.9 11.4 -1.8 277 357 A K 0 0 96 1,-0.1 -168,-0.1 -2,-0.1 -132,-0.0 -0.347 360.0 360.0 -64.4 137.3 -21.2 12.5 1.4 278 358 A L 0 0 65 -3,-0.1 -1,-0.1 -2,-0.1 -172,-0.1 0.900 360.0 360.0 -93.7 360.0 -22.0 16.1 2.5