==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PENICILLIN-BINDING PROTEIN 25-APR-12 3VSK . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR H.YOSHIDA,J.R.TAME,S.Y.PARK . 1262 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 826 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 90 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 10 4 1 5 3 1 3 6 4 3 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 8 5 5 2 1 7 5 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 2 2 0 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 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 46 A A 0 0 89 0, 0.0 2,-0.5 0, 0.0 513,-0.0 0.000 360.0 360.0 360.0 57.6 20.3 -9.6 -20.1 2 47 A Q - 0 0 70 263,-0.1 2,-0.2 20,-0.1 263,-0.1 -0.565 360.0-159.5 -64.9 114.3 23.7 -11.1 -19.4 3 48 A G - 0 0 26 -2,-0.5 2,-0.3 2,-0.0 -1,-0.0 -0.489 1.5-150.6 -88.7 167.0 25.8 -8.4 -17.8 4 49 A S - 0 0 38 -2,-0.2 2,-0.4 18,-0.1 18,-0.2 -0.984 11.0-164.4-144.6 134.5 29.6 -8.3 -17.6 5 50 A H E -A 21 0A 19 16,-1.5 16,-2.5 -2,-0.3 178,-0.0 -0.925 36.9-108.1-106.3 138.1 32.2 -6.9 -15.3 6 51 A Y E +A 20 0A 150 -2,-0.4 14,-0.2 14,-0.3 175,-0.1 -0.368 45.0 163.0 -61.2 144.8 35.8 -6.6 -16.4 7 52 A K E + 0 0 71 12,-2.6 2,-0.4 1,-0.3 13,-0.2 0.593 56.7 21.4-131.9 -43.4 38.1 -9.2 -14.8 8 53 A Q E -A 19 0A 23 11,-1.7 11,-3.0 2,-0.0 2,-0.4 -0.996 46.8-177.6-143.5 131.2 41.4 -9.6 -16.7 9 54 A I E -A 18 0A 110 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.901 12.3-176.0-129.5 103.0 43.3 -7.4 -19.2 10 55 A I E -A 17 0A 77 7,-1.9 7,-2.1 -2,-0.4 2,-0.6 -0.871 9.6-158.7 -99.3 121.0 46.5 -9.0 -20.6 11 56 A K E +A 16 0A 160 -2,-0.5 5,-0.2 5,-0.2 3,-0.1 -0.870 17.8 167.7 -94.8 124.8 48.8 -6.9 -22.9 12 57 A N - 0 0 101 3,-2.9 -1,-0.2 -2,-0.6 4,-0.1 0.717 66.5 -61.6 -90.9 -96.0 51.1 -9.0 -25.1 13 58 A D S S- 0 0 140 2,-0.0 -1,-0.0 237,-0.0 236,-0.0 0.491 118.5 -13.6-111.4 -85.9 52.6 -6.7 -27.7 14 59 A E S S+ 0 0 68 -3,-0.1 236,-2.2 235,-0.1 2,-0.5 0.629 120.9 90.1 -89.7 -14.5 49.9 -5.3 -29.9 15 60 A N E - B 0 249A 50 234,-0.2 -3,-2.9 232,-0.0 2,-0.5 -0.707 52.1-175.8 -91.2 123.9 47.3 -7.7 -28.6 16 61 A I E -AB 11 248A 34 232,-2.2 232,-3.3 -2,-0.5 2,-0.5 -0.978 8.7-160.4-112.4 126.4 45.2 -6.9 -25.6 17 62 A T E -AB 10 247A 25 -7,-2.1 -7,-1.9 -2,-0.5 2,-0.5 -0.929 4.2-164.2-106.3 129.6 42.8 -9.6 -24.3 18 63 A V E -AB 9 246A 12 228,-2.7 228,-2.6 -2,-0.5 2,-0.4 -0.958 1.5-166.6-115.9 121.8 39.9 -8.5 -22.1 19 64 A N E -AB 8 245A 15 -11,-3.0 -12,-2.6 -2,-0.5 -11,-1.7 -0.904 4.1-165.9-106.2 134.1 38.0 -11.1 -20.1 20 65 A E E -AB 6 244A 15 224,-3.2 224,-2.7 -2,-0.4 -14,-0.3 -0.966 15.4-131.7-120.3 135.5 34.7 -10.2 -18.4 21 66 A S E -A 5 0A 13 -16,-2.5 -16,-1.5 -2,-0.4 221,-0.1 -0.439 22.3-158.6 -80.5 155.4 32.9 -12.2 -15.8 22 67 A V - 0 0 10 219,-0.4 219,-0.4 -18,-0.2 -18,-0.1 -0.915 30.2 -76.2-131.9 160.1 29.2 -13.0 -16.1 23 68 A P - 0 0 1 0, 0.0 245,-2.4 0, 0.0 219,-0.1 -0.288 43.5-129.4 -57.8 133.7 26.4 -14.0 -13.7 24 69 A R - 0 0 26 243,-0.2 216,-0.2 1,-0.1 215,-0.1 -0.300 36.8 -86.8 -68.1 163.1 26.3 -17.5 -12.4 25 70 A G - 0 0 1 214,-2.7 245,-0.2 244,-0.3 244,-0.2 -0.341 45.7-113.1 -69.7 155.1 23.1 -19.6 -12.5 26 71 A R - 0 0 7 242,-0.2 245,-3.1 -3,-0.1 2,-0.4 -0.425 15.5-135.9 -84.6 164.2 20.6 -19.3 -9.8 27 72 A I E +De 36 271B 0 9,-1.6 8,-2.9 243,-0.2 9,-2.5 -0.987 27.9 178.9-119.9 130.8 19.6 -22.0 -7.3 28 73 A L E -De 34 272B 0 243,-2.4 245,-3.1 -2,-0.4 6,-0.2 -0.961 28.1-106.7-134.3 152.5 15.8 -22.4 -6.6 29 74 A D > - 0 0 0 4,-2.3 3,-2.5 -2,-0.3 247,-0.2 -0.109 51.6 -83.5 -71.1 175.0 13.7 -24.7 -4.4 30 75 A R T 3 S+ 0 0 83 245,-3.2 246,-0.1 1,-0.3 -1,-0.1 0.490 132.6 49.5 -64.1 -0.4 11.6 -27.6 -5.9 31 76 A N T 3 S- 0 0 98 244,-0.3 -1,-0.3 2,-0.1 -2,-0.1 -0.074 123.7-100.5-127.6 28.2 8.9 -25.0 -6.5 32 77 A G < + 0 0 21 -3,-2.5 2,-0.5 1,-0.2 -2,-0.1 0.602 67.5 153.9 67.0 13.3 11.0 -22.5 -8.3 33 78 A K - 0 0 75 1,-0.1 -4,-2.3 -4,-0.0 -1,-0.2 -0.652 53.0-111.6 -73.9 120.4 11.4 -20.1 -5.3 34 79 A V E +D 28 0B 31 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.2 -0.318 45.4 165.7 -55.5 115.8 14.7 -18.2 -5.8 35 80 A L E S+ 0 0 3 -8,-2.9 2,-0.4 1,-0.3 154,-0.3 0.756 71.3 22.1 -99.4 -34.7 17.2 -19.4 -3.1 36 81 A V E S+D 27 0B 0 -9,-2.5 -9,-1.6 151,-0.1 -1,-0.3 -0.942 74.2 157.2-140.0 114.8 20.4 -18.0 -4.6 37 82 A D E -H 186 0C 38 149,-1.8 149,-1.3 -2,-0.4 2,-0.3 -0.478 33.0-103.6-122.6-167.4 20.4 -15.1 -7.0 38 83 A N E -H 185 0C 22 147,-0.2 2,-0.3 -2,-0.2 147,-0.2 -0.834 21.4-167.2-125.1 161.0 22.9 -12.4 -8.2 39 84 A A E -H 184 0C 8 145,-1.1 145,-1.5 -2,-0.3 2,-0.6 -0.992 23.6-129.7-147.1 138.4 23.5 -8.8 -7.6 40 85 A S E -H 183 0C 33 -2,-0.3 119,-1.8 143,-0.2 2,-0.4 -0.800 41.5-177.1 -85.9 121.4 25.7 -6.1 -9.3 41 86 A K E -HI 182 158C 29 141,-2.5 141,-2.3 -2,-0.6 2,-0.6 -0.950 29.2-138.9-129.3 138.4 27.5 -4.5 -6.4 42 87 A M E -HI 181 157C 16 115,-2.7 115,-1.3 -2,-0.4 2,-0.7 -0.853 21.6-154.9 -90.5 121.3 30.0 -1.6 -6.1 43 88 A A E -HI 180 156C 4 137,-2.8 137,-0.8 -2,-0.6 2,-0.6 -0.867 6.8-166.0-101.6 115.5 32.7 -2.5 -3.6 44 89 A I E -HI 179 155C 2 111,-3.1 110,-2.9 -2,-0.7 111,-1.3 -0.863 12.4-178.0-100.4 114.8 34.4 0.5 -1.9 45 90 A T E -HI 178 153C 25 133,-1.9 133,-1.6 -2,-0.6 2,-0.4 -0.768 20.8-144.1-111.4 154.7 37.7 -0.3 -0.0 46 91 A Y E -HI 177 152C 7 106,-3.1 106,-3.9 -2,-0.3 2,-0.6 -0.952 7.2-161.2-110.7 138.7 40.1 1.7 2.1 47 92 A T E - I 0 151C 46 129,-0.8 2,-0.2 -2,-0.4 101,-0.1 -0.842 16.3-148.7-120.7 91.3 43.8 0.9 1.8 48 93 A R - 0 0 44 -2,-0.6 102,-0.1 102,-0.5 128,-0.1 -0.420 16.5-126.5 -67.9 123.9 45.5 2.4 4.9 49 94 A G > - 0 0 15 -2,-0.2 3,-0.8 1,-0.1 100,-0.1 -0.116 22.6-106.4 -64.5 165.4 49.0 3.6 4.3 50 95 A R T 3 S+ 0 0 181 1,-0.3 -1,-0.1 99,-0.0 98,-0.1 0.670 118.7 30.4 -68.1 -17.6 52.0 2.4 6.4 51 96 A K T 3 S+ 0 0 174 97,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.528 83.0 141.4-140.2 69.6 52.1 5.9 8.0 52 97 A T < - 0 0 42 -3,-0.8 2,-0.1 -2,-0.1 -4,-0.0 -0.951 40.5-133.2-116.2 134.3 48.5 7.3 8.0 53 98 A T > - 0 0 66 -2,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.338 17.4-122.1 -83.8 161.1 47.2 9.3 11.0 54 99 A Q H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.782 117.0 55.8 -63.7 -31.1 43.9 9.1 12.9 55 100 A S H > S+ 0 0 101 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.738 107.2 50.1 -75.6 -21.5 43.3 12.7 11.9 56 101 A E H > S+ 0 0 92 -3,-0.2 4,-1.9 2,-0.2 3,-0.3 0.928 109.0 49.1 -79.0 -50.1 43.7 11.7 8.3 57 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.774 107.4 55.0 -60.7 -30.6 41.3 8.8 8.3 58 103 A L H X S+ 0 0 28 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.859 108.0 50.7 -72.0 -34.9 38.6 10.9 10.1 59 104 A D H X S+ 0 0 107 -4,-0.7 4,-2.1 -3,-0.3 -2,-0.2 0.878 110.8 47.5 -69.8 -39.7 38.9 13.4 7.3 60 105 A T H X S+ 0 0 8 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.957 112.3 49.8 -63.2 -51.5 38.5 10.7 4.6 61 106 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.868 108.8 54.4 -53.4 -39.7 35.5 9.2 6.4 62 107 A E H X S+ 0 0 88 -4,-2.0 4,-1.1 2,-0.2 3,-0.3 0.978 113.6 38.6 -60.5 -55.1 34.0 12.6 6.6 63 108 A K H >X S+ 0 0 67 -4,-2.1 4,-1.0 1,-0.2 3,-0.5 0.897 115.1 57.1 -63.9 -38.3 34.2 13.2 2.9 64 109 A L H 3X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 3,-0.4 0.855 100.9 55.7 -55.4 -40.7 33.3 9.6 2.4 65 110 A S H 3< S+ 0 0 31 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.791 98.5 62.4 -69.0 -26.6 30.0 10.0 4.4 66 111 A K H << S+ 0 0 143 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.911 110.1 41.2 -59.7 -41.9 29.0 12.8 2.0 67 112 A L H < S+ 0 0 50 -4,-1.0 2,-0.2 -3,-0.4 -2,-0.2 0.944 118.3 27.1 -74.0 -54.7 29.0 10.3 -0.8 68 113 A I < - 0 0 23 -4,-1.9 2,-0.3 87,-0.0 -1,-0.0 -0.683 66.7-124.5-116.2 163.3 27.4 7.1 0.5 69 114 A K - 0 0 167 -2,-0.2 2,-0.2 -3,-0.0 -3,-0.0 -0.695 28.8-166.7 -96.2 157.5 25.0 5.9 3.2 70 115 A M - 0 0 32 -2,-0.3 2,-0.5 -5,-0.1 65,-0.1 -0.745 23.2-114.9-128.5 178.0 26.0 3.3 5.8 71 116 A D > - 0 0 112 -2,-0.2 3,-0.7 64,-0.1 4,-0.2 -0.995 16.1-154.3-118.8 127.0 24.4 1.0 8.4 72 117 A T G > + 0 0 51 -2,-0.5 3,-1.6 1,-0.2 -1,-0.1 0.529 66.2 104.9 -74.3 -4.8 25.3 1.9 11.9 73 118 A K G 3 S+ 0 0 176 1,-0.3 -1,-0.2 3,-0.0 65,-0.0 0.618 73.6 53.9 -65.6 -14.7 24.6 -1.6 13.2 74 119 A K G < S+ 0 0 139 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.1 0.745 77.2 118.3 -88.1 -21.7 28.3 -2.7 13.6 75 120 A I < - 0 0 23 -3,-1.6 2,-0.2 -4,-0.2 63,-0.1 -0.180 55.8-145.2 -48.4 123.7 29.3 0.2 15.9 76 121 A T > - 0 0 54 1,-0.1 4,-1.6 0, 0.0 3,-0.2 -0.485 24.9-111.3 -89.2 161.9 30.5 -1.0 19.3 77 122 A E H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.807 124.0 51.9 -59.4 -26.9 29.9 0.8 22.6 78 123 A R H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.801 100.9 58.4 -80.2 -32.1 33.7 1.3 22.5 79 124 A D H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.900 110.4 45.5 -59.2 -39.9 33.6 2.8 19.0 80 125 A K H X S+ 0 0 56 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.923 112.3 48.2 -72.8 -47.5 31.4 5.4 20.4 81 126 A K H X S+ 0 0 34 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.843 116.5 45.2 -61.8 -34.3 33.4 6.1 23.5 82 127 A D H X S+ 0 0 55 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.922 112.5 49.2 -76.6 -44.3 36.5 6.3 21.4 83 128 A F H X S+ 0 0 4 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.844 107.2 56.6 -60.8 -36.0 35.0 8.5 18.8 84 129 A W H X S+ 0 0 8 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.912 108.4 45.9 -64.2 -41.4 33.6 10.9 21.4 85 130 A I H < S+ 0 0 38 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.3 52.4 -70.5 -32.8 37.1 11.4 22.8 86 131 A Q H < S+ 0 0 74 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.891 117.3 38.2 -64.1 -41.9 38.3 11.9 19.3 87 132 A L H < S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.879 126.0 33.4 -81.7 -40.9 35.6 14.5 18.6 88 133 A H X + 0 0 46 -4,-3.3 4,-1.9 -5,-0.2 -1,-0.2 -0.624 62.1 157.3-121.0 74.2 35.5 16.3 22.0 89 134 A P H > S+ 0 0 75 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.564 75.9 54.0 -76.4 -9.2 39.1 16.3 23.3 90 135 A K H > S+ 0 0 161 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.873 110.3 41.4 -88.8 -45.1 38.4 19.3 25.5 91 136 A K H 4 S+ 0 0 118 2,-0.2 4,-0.4 1,-0.2 -1,-0.1 0.841 116.7 52.1 -70.3 -32.0 35.3 18.0 27.4 92 137 A A H >< S+ 0 0 2 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.922 109.4 49.8 -64.0 -47.2 37.1 14.7 27.6 93 138 A K H >< S+ 0 0 113 -4,-0.8 3,-2.0 1,-0.2 -2,-0.2 0.889 103.3 59.1 -56.4 -43.6 40.1 16.5 29.1 94 139 A A T 3< S+ 0 0 71 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.600 99.3 57.7 -72.4 -10.1 38.1 18.4 31.7 95 140 A M T < S+ 0 0 64 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.510 108.0 48.9 -89.9 -6.4 36.8 15.2 33.3 96 141 A M <> + 0 0 0 -3,-2.0 4,-1.6 -4,-0.3 -1,-0.2 -0.266 63.9 132.9-130.6 42.4 40.4 14.0 33.9 97 142 A T H > S+ 0 0 107 -3,-0.4 4,-1.2 1,-0.2 -1,-0.1 0.905 77.0 46.6 -63.4 -41.5 42.0 17.0 35.6 98 143 A K H > S+ 0 0 137 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.924 114.1 45.7 -68.8 -45.3 43.6 14.9 38.3 99 144 A E H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.728 102.8 65.0 -74.1 -23.4 44.9 12.1 36.1 100 145 A Q H X S+ 0 0 79 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.923 107.4 41.8 -62.7 -43.7 46.4 14.6 33.6 101 146 A A H < S+ 0 0 65 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.822 114.3 52.5 -70.9 -32.2 48.7 15.8 36.3 102 147 A M H X S+ 0 0 59 -4,-1.4 6,-1.1 1,-0.2 4,-0.9 0.722 103.7 58.6 -72.4 -24.7 49.3 12.2 37.3 103 148 A L H < S+ 0 0 43 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.895 116.6 31.8 -68.8 -40.2 50.1 11.4 33.7 104 149 A A T < S+ 0 0 91 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.122 105.5 77.0-106.4 16.8 53.0 13.9 33.7 105 150 A D T 4 S- 0 0 113 -3,-0.3 -2,-0.1 3,-0.1 -1,-0.1 0.880 109.2-110.1 -82.8 -49.0 53.8 13.4 37.3 106 151 A G S < S+ 0 0 70 -4,-0.9 -4,-0.1 2,-0.3 -3,-0.1 -0.143 95.2 103.7 130.9 -26.3 55.6 10.2 36.8 107 152 A S S S+ 0 0 70 -6,-0.2 -4,-0.2 -5,-0.0 -5,-0.1 0.952 77.5 13.6 -50.3 -94.3 52.7 8.5 38.6 108 153 A I S S- 0 0 27 -6,-1.1 2,-0.3 -9,-0.1 -2,-0.3 -0.301 70.4-132.5 -87.1 172.0 50.3 6.8 36.1 109 154 A K >> - 0 0 133 -2,-0.1 3,-1.7 -5,-0.1 4,-1.7 -0.852 32.7 -91.9-125.4 165.0 50.8 5.8 32.5 110 155 A Q H 3> S+ 0 0 98 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.749 120.4 56.4 -44.2 -39.6 48.7 6.2 29.3 111 156 A D H 3> S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.885 109.7 45.3 -62.4 -39.7 47.0 2.8 29.6 112 157 A Q H <> S+ 0 0 79 -3,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.818 113.2 53.4 -71.9 -30.2 45.7 3.6 33.1 113 158 A Y H >X S+ 0 0 16 -4,-1.7 4,-2.2 1,-0.2 3,-1.0 0.998 108.0 46.9 -64.1 -65.8 44.6 7.0 31.7 114 159 A D H 3X S+ 0 0 73 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.758 111.3 51.9 -45.8 -38.1 42.6 5.7 28.8 115 160 A K H 3X S+ 0 0 139 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.3 0.849 110.2 48.2 -73.5 -33.7 40.8 3.1 31.0 116 161 A Q H << S+ 0 0 77 -4,-1.3 4,-0.4 -3,-1.0 -2,-0.2 0.861 111.6 50.5 -73.1 -36.2 39.8 5.7 33.5 117 162 A L H >< S+ 0 0 10 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.860 106.4 54.7 -68.8 -37.1 38.5 8.1 30.8 118 163 A L H >< S+ 0 0 23 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.820 104.3 56.0 -65.7 -31.2 36.4 5.3 29.2 119 164 A S T 3< S+ 0 0 86 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.590 98.7 61.2 -78.7 -11.3 34.7 4.7 32.5 120 165 A K T < S+ 0 0 90 -3,-0.9 2,-0.5 -4,-0.4 -1,-0.2 0.298 81.1 99.3-100.0 12.2 33.5 8.3 32.9 121 166 A I < + 0 0 10 -3,-0.9 -40,-0.1 1,-0.1 -29,-0.0 -0.868 37.9 117.3-107.0 128.5 31.4 8.4 29.7 122 167 A R > + 0 0 187 -2,-0.5 3,-1.2 -41,-0.0 4,-0.3 0.343 69.7 30.2-145.4 -87.9 27.6 8.0 30.0 123 168 A K T 3 S+ 0 0 146 1,-0.2 -2,-0.1 2,-0.1 3,-0.0 0.391 112.8 65.4 -75.1 3.3 24.8 10.5 29.1 124 169 A S T > S+ 0 0 24 1,-0.1 3,-0.6 2,-0.1 4,-0.3 0.339 71.0 84.9-114.8 3.5 27.0 12.0 26.4 125 170 A Q G X S+ 0 0 18 -3,-1.2 3,-1.5 1,-0.2 4,-0.4 0.858 87.9 62.7 -61.6 -35.0 27.3 9.1 23.9 126 171 A L G > S+ 0 0 103 -4,-0.3 3,-0.8 1,-0.3 -1,-0.2 0.689 81.1 79.2 -66.0 -20.4 24.0 10.5 22.7 127 172 A D G < S+ 0 0 83 -3,-0.6 3,-0.3 1,-0.3 -1,-0.3 0.761 99.8 41.5 -60.0 -26.1 25.6 13.8 21.7 128 173 A E G < S+ 0 0 0 -3,-1.5 6,-0.9 -4,-0.3 5,-0.3 0.473 78.8 100.8-104.0 -5.6 26.9 12.1 18.5 129 174 A L < + 0 0 87 -3,-0.8 2,-1.8 -4,-0.4 -1,-0.2 0.608 47.5 121.6 -52.7 -10.3 23.6 10.2 18.0 130 175 A S S >> S- 0 0 38 -3,-0.3 3,-3.6 -4,-0.2 4,-0.7 -0.501 73.9-141.8 -41.9 86.0 23.7 13.2 15.7 131 176 A S H 3> S+ 0 0 82 -2,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.595 95.6 70.1 -52.0 -15.5 23.3 10.4 13.2 132 177 A K H 3> S+ 0 0 153 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.891 99.5 49.6 -62.6 -43.4 25.6 12.3 10.8 133 178 A D H <> S+ 0 0 42 -3,-3.6 4,-2.8 -5,-0.3 3,-0.3 0.953 107.6 51.2 -57.9 -54.9 28.4 11.4 13.4 134 179 A L H X S+ 0 0 20 -6,-0.9 4,-2.4 -4,-0.7 -2,-0.2 0.858 106.2 57.8 -54.5 -35.9 27.5 7.7 13.5 135 180 A Q H X S+ 0 0 43 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.941 110.4 41.5 -59.8 -47.7 27.6 7.6 9.7 136 181 A V H >X S+ 0 0 10 -4,-1.6 4,-3.0 -3,-0.3 3,-0.5 0.952 115.0 51.2 -61.1 -51.9 31.3 8.9 9.8 137 182 A L H 3X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.825 104.2 59.0 -53.7 -37.1 32.1 6.5 12.7 138 183 A A H 3X S+ 0 0 4 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.899 113.3 37.1 -62.8 -40.8 30.6 3.6 10.8 139 184 A I H < S+ 0 0 32 -4,-0.7 3,-1.7 -3,-0.4 4,-0.4 0.891 105.2 57.7 -72.5 -36.8 36.3 -0.2 9.1 143 188 A M H 3< S+ 0 0 1 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.892 112.4 41.9 -55.1 -40.3 39.2 1.9 7.9 144 189 A N T 3< S+ 0 0 59 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.391 95.9 91.9 -79.4 2.4 41.0 1.0 11.2 145 190 A A S < S+ 0 0 67 -3,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.698 87.2 12.6 -79.4 -20.8 39.8 -2.6 10.9 146 191 A G S S- 0 0 21 -3,-0.4 2,-0.1 -4,-0.4 6,-0.1 -0.307 87.8 -33.4-137.0-146.4 42.7 -4.2 9.1 147 192 A T - 0 0 38 -2,-0.1 3,-0.4 1,-0.1 -99,-0.4 -0.418 51.2-103.4-102.9 163.8 46.2 -4.2 7.9 148 193 A V S S+ 0 0 70 1,-0.3 -1,-0.1 -2,-0.1 -97,-0.1 0.162 113.9 15.0 -78.4 15.7 48.6 -1.6 6.5 149 194 A L S S+ 0 0 117 -2,-0.2 -1,-0.3 -100,-0.1 -100,-0.1 0.284 100.8 102.4-155.3 -8.7 48.5 -2.3 2.8 150 195 A D S S- 0 0 55 -3,-0.4 2,-0.6 -102,-0.1 -102,-0.5 -0.664 77.3-117.8 -79.1 129.7 45.4 -4.5 2.6 151 196 A P E -I 47 0C 74 0, 0.0 2,-0.5 0, 0.0 -104,-0.3 -0.603 26.3-146.1 -65.5 115.8 42.3 -2.8 1.3 152 197 A Q E -I 46 0C 50 -106,-3.9 -106,-3.1 -2,-0.6 2,-0.3 -0.732 17.7-122.0 -81.9 130.4 39.6 -2.9 4.0 153 198 A M E +I 45 0C 83 -2,-0.5 -108,-0.2 -108,-0.2 3,-0.1 -0.548 33.9 173.1 -69.9 132.3 36.1 -3.2 2.6 154 199 A I E - 0 0 5 -110,-2.9 2,-0.3 1,-0.4 -109,-0.2 0.805 67.1 -3.2-105.2 -50.2 33.9 -0.3 3.8 155 200 A K E -I 44 0C 49 -111,-1.3 -111,-3.1 -85,-0.1 -1,-0.4 -0.984 49.8-177.7-146.0 133.8 30.7 -0.9 1.8 156 201 A N E +I 43 0C 45 -2,-0.3 2,-0.2 -113,-0.2 -113,-0.2 -0.786 33.3 150.7-127.3 90.4 29.7 -3.4 -0.8 157 202 A E E -I 42 0C 103 -115,-1.3 -115,-2.7 -2,-0.3 2,-0.2 -0.771 53.8 -72.2-124.1 168.2 26.2 -2.6 -2.0 158 203 A D E -I 41 0C 83 -2,-0.2 2,-0.3 -117,-0.2 -117,-0.3 -0.324 54.3-176.6 -56.3 111.9 23.8 -2.9 -4.9 159 204 A V - 0 0 16 -119,-1.8 2,-0.2 -2,-0.2 -119,-0.1 -0.844 17.7-134.6-109.9 152.1 25.0 -0.4 -7.5 160 205 A S > - 0 0 19 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.644 27.4-109.4 -98.6 164.1 23.4 0.5 -10.8 161 206 A E H > S+ 0 0 158 -2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.897 120.6 41.6 -58.3 -41.1 25.2 0.8 -14.1 162 207 A K H > S+ 0 0 143 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.821 109.6 57.5 -79.4 -35.4 24.6 4.6 -14.1 163 208 A E H >> S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 3,-0.7 0.931 104.6 51.8 -54.5 -48.9 25.3 5.1 -10.4 164 209 A Y H 3X S+ 0 0 51 -4,-2.3 4,-2.3 1,-0.3 5,-0.3 0.911 107.1 54.7 -59.0 -38.8 28.8 3.6 -10.8 165 210 A A H 3< S+ 0 0 78 -4,-1.1 -1,-0.3 -5,-0.2 4,-0.2 0.780 111.6 44.4 -65.7 -29.2 29.4 6.0 -13.6 166 211 A A H << S+ 0 0 64 -4,-1.2 4,-0.5 -3,-0.7 -2,-0.2 0.959 125.4 24.2 -77.0 -52.7 28.5 9.0 -11.4 167 212 A V H X S+ 0 0 36 -4,-2.5 4,-2.7 1,-0.1 5,-0.2 0.659 96.6 81.5 -95.5 -19.1 30.4 8.2 -8.2 168 213 A S H X S+ 0 0 26 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.924 96.2 47.0 -62.8 -46.2 33.4 5.9 -8.9 169 214 A Q H > S+ 0 0 159 -5,-0.3 4,-1.0 -4,-0.2 -1,-0.2 0.929 114.9 45.1 -55.5 -50.4 35.7 8.6 -10.1 170 215 A Q H > S+ 0 0 85 -4,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.864 113.6 50.3 -70.2 -34.1 34.9 10.9 -7.1 171 216 A L H >< S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.2 6,-0.2 0.988 109.3 51.1 -56.9 -58.1 35.2 8.1 -4.7 172 217 A S H 3< S+ 0 0 54 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.637 96.1 71.5 -58.9 -16.5 38.6 7.1 -6.1 173 218 A K H 3< S+ 0 0 180 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.842 80.9 88.5 -67.2 -35.2 39.8 10.7 -5.8 174 219 A L S X< S- 0 0 22 -3,-2.1 3,-1.2 -4,-0.7 2,-0.2 -0.410 93.8-105.3 -64.7 136.7 39.9 10.2 -2.0 175 220 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.476 105.3 18.2 -67.0 129.5 43.3 8.8 -0.7 176 221 A G T 3 S+ 0 0 23 1,-0.3 -129,-0.8 -2,-0.2 2,-0.2 -0.128 101.5 119.7 105.7 -31.9 43.0 5.2 0.2 177 222 A V E < +H 46 0C 3 -3,-1.2 2,-0.3 -6,-0.2 -1,-0.3 -0.432 30.7 164.0 -88.1 134.6 39.8 4.7 -1.7 178 223 A N E -H 45 0C 86 -133,-1.6 -133,-1.9 -2,-0.2 2,-0.3 -0.965 15.4-157.5-136.4 160.8 39.1 2.3 -4.6 179 224 A T E +H 44 0C 21 -2,-0.3 2,-0.3 -135,-0.2 -135,-0.2 -0.948 13.9 167.6-133.0 149.1 35.9 1.1 -6.2 180 225 A S E -H 43 0C 59 -137,-0.8 -137,-2.8 -2,-0.3 2,-0.3 -0.968 32.1-116.1-152.8 168.5 35.1 -1.9 -8.3 181 226 A M E -H 42 0C 49 -2,-0.3 2,-0.3 -139,-0.2 -139,-0.2 -0.787 36.9-178.6-100.4 148.0 32.1 -3.8 -9.6 182 227 A D E -H 41 0C 14 -141,-2.3 -141,-2.5 -2,-0.3 2,-0.4 -0.994 31.7-125.4-149.4 146.1 31.4 -7.3 -8.4 183 228 A W E +H 40 0C 37 -2,-0.3 2,-0.4 -143,-0.2 -143,-0.2 -0.721 38.9 179.4 -74.6 132.6 29.1 -10.1 -8.8 184 229 A D E -H 39 0C 44 -145,-1.5 -145,-1.1 -2,-0.4 2,-0.3 -0.996 28.9-119.6-140.6 136.7 27.8 -11.2 -5.4 185 230 A R E -H 38 0C 11 -2,-0.4 2,-0.3 -147,-0.2 -147,-0.2 -0.551 28.0-162.2 -69.8 133.9 25.4 -13.9 -4.3 186 231 A K E -H 37 0C 90 -149,-1.3 -149,-1.8 -2,-0.3 -147,-0.0 -0.865 5.9-148.1-113.7 153.7 22.3 -12.6 -2.5 187 232 A Y > - 0 0 35 -2,-0.3 3,-2.3 -151,-0.2 -151,-0.1 -0.839 11.7-172.5-131.1 100.0 20.0 -14.8 -0.4 188 233 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.813 92.4 50.5 -64.9 -29.9 16.3 -14.0 -0.2 189 234 A Y T > S- 0 0 70 -154,-0.3 3,-2.2 1,-0.2 2,-0.6 0.156 100.6-150.5 -93.3 20.0 15.7 -16.6 2.6 190 235 A G T < - 0 0 37 -3,-2.3 -1,-0.2 1,-0.3 3,-0.1 -0.277 68.2 -3.2 65.2-100.0 18.6 -15.0 4.4 191 236 A D T > S+ 0 0 100 -2,-0.6 3,-1.6 -3,-0.1 4,-0.3 0.635 97.3 112.7-100.2 -13.3 20.3 -17.6 6.6 192 237 A T T < S- 0 0 31 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.666 96.2 -1.8 -47.0 -45.3 18.0 -20.6 6.0 193 238 A L T >> S+ 0 0 1 -158,-0.1 4,-1.9 -3,-0.1 3,-1.2 0.131 84.8 130.7-131.1 29.6 20.3 -23.0 4.0 194 239 A R H <> S+ 0 0 89 -3,-1.6 4,-1.8 1,-0.3 -2,-0.1 0.814 71.0 59.0 -54.5 -38.3 23.5 -21.1 3.6 195 240 A G H 34 S+ 0 0 20 -4,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.918 110.7 42.3 -54.9 -43.2 25.7 -23.9 4.9 196 241 A I H <4 S+ 0 0 5 -3,-1.2 35,-2.1 1,-0.2 -2,-0.2 0.846 108.7 56.8 -80.2 -34.0 24.4 -26.1 2.0 197 242 A F H < S- 0 0 9 -4,-1.9 35,-1.7 33,-0.2 33,-0.3 0.829 92.6-161.8 -64.7 -33.7 24.5 -23.5 -0.8 198 243 A G < - 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0 0 0 -5,-2.9 4,-1.0 1,-0.2 3,-0.3 -0.503 22.4-167.3 -68.3 107.6 15.6 -55.9 22.4 405 450 A N H > S+ 0 0 22 -2,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.798 84.4 56.9 -59.7 -32.9 19.4 -56.1 22.7 406 451 A V H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.766 97.2 57.4 -84.3 -25.9 19.4 -59.8 23.3 407 452 A Y H > S+ 0 0 2 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.921 111.3 46.1 -66.5 -38.4 17.5 -61.0 20.2 408 453 A M H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.864 111.0 51.8 -70.3 -34.9 20.2 -59.2 18.2 409 454 A F H X S+ 0 0 6 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.912 109.6 50.8 -64.0 -42.0 22.9 -60.8 20.4 410 455 A K H X S+ 0 0 20 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 111.6 46.5 -62.5 -44.8 21.3 -64.3 19.8 411 456 A T H X S+ 0 0 5 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.877 108.9 55.5 -65.1 -39.7 21.2 -63.8 16.0 412 457 A A H X S+ 0 0 3 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.926 109.1 47.5 -60.7 -45.5 24.8 -62.5 16.0 413 458 A L H <>S+ 0 0 2 -4,-2.2 5,-2.5 2,-0.2 -2,-0.2 0.900 111.7 49.3 -62.1 -39.7 25.9 -65.7 17.7 414 459 A K H ><5S+ 0 0 66 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.920 109.8 52.6 -66.5 -38.8 23.9 -67.8 15.2 415 460 A L H 3<5S+ 0 0 15 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.4 53.1 -58.9 -31.7 25.6 -65.8 12.4 416 461 A A T 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.311 116.2-115.8 -89.8 10.1 28.9 -66.7 14.0 417 462 A G T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.650 92.8 99.7 68.5 16.9 28.1 -70.4 14.0 418 463 A D < - 0 0 10 -5,-2.5 -4,-0.2 -6,-0.2 3,-0.1 -0.559 59.8-163.3-138.8 64.3 28.1 -70.4 17.8 419 464 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.037 37.0 -81.3 -53.0 156.3 24.6 -70.2 19.3 420 465 A Y + 0 0 39 -10,-0.2 2,-0.3 4,-0.0 -10,-0.0 -0.409 48.7 166.6 -66.9 126.5 24.2 -69.1 22.9 421 466 A Y > - 0 0 3 -2,-0.2 3,-0.9 -3,-0.1 324,-0.0 -0.978 49.7 -97.0-124.3 139.7 24.7 -71.6 25.7 422 467 A S T 3 S+ 0 0 59 -2,-0.3 -46,-0.2 1,-0.2 330,-0.1 -0.287 108.0 16.2 -57.7 132.0 25.0 -70.0 29.2 423 468 A G T 3 S+ 0 0 31 -48,-2.6 -1,-0.2 1,-0.2 2,-0.2 0.874 88.4 149.9 71.3 38.9 28.6 -69.7 30.2 424 469 A M B < -u 376 0J 0 -3,-0.9 -47,-0.8 -49,-0.8 2,-0.4 -0.622 53.5-109.4 -88.9 155.8 30.1 -70.1 26.8 425 470 A A - 0 0 27 -2,-0.2 3,-0.1 -49,-0.2 285,-0.0 -0.745 39.7-108.0 -77.3 139.7 33.3 -68.4 25.9 426 471 A L - 0 0 51 -2,-0.4 2,-0.1 1,-0.1 44,-0.1 -0.425 51.5 -88.6 -56.8 142.3 32.6 -65.5 23.4 427 472 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.402 34.6-143.1 -63.3 134.9 33.9 -66.7 20.1 428 473 A S S S+ 0 0 93 1,-0.2 2,-0.5 -2,-0.1 -2,-0.1 0.831 85.0 39.7 -68.7 -42.2 37.6 -65.8 19.7 429 474 A D + 0 0 65 1,-0.1 38,-0.2 38,-0.1 -1,-0.2 -0.962 55.0 161.5-113.3 120.9 37.7 -64.9 15.9 430 475 A I > + 0 0 0 36,-3.4 4,-2.6 -2,-0.5 5,-0.3 0.121 39.0 115.5-122.6 18.9 34.7 -63.1 14.6 431 476 A S H > S+ 0 0 46 35,-0.5 4,-2.6 2,-0.2 5,-0.2 0.950 80.0 45.5 -45.9 -59.3 36.3 -61.8 11.3 432 477 A S H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 115.8 42.0 -59.8 -56.6 33.9 -63.8 9.2 433 478 A P H > S+ 0 0 11 0, 0.0 4,-3.4 0, 0.0 -1,-0.2 0.924 114.4 53.3 -55.8 -46.2 30.6 -63.1 10.9 434 479 A A H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.923 108.9 49.2 -54.1 -49.1 31.5 -59.4 11.3 435 480 A Q H X S+ 0 0 88 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.896 112.6 48.1 -57.8 -42.0 32.2 -59.2 7.6 436 481 A K H X S+ 0 0 83 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.933 112.5 48.0 -64.8 -46.1 28.8 -60.9 6.9 437 482 A L H X S+ 0 0 4 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.953 112.1 49.3 -59.0 -52.3 27.0 -58.5 9.3 438 483 A R H X S+ 0 0 39 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.863 109.7 51.4 -54.3 -41.1 28.6 -55.4 7.8 439 484 A R H X S+ 0 0 66 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.890 109.3 51.0 -70.6 -36.0 27.8 -56.5 4.2 440 485 A G H >X S+ 0 0 5 -4,-2.1 3,-1.5 2,-0.2 4,-0.5 0.993 113.0 44.7 -53.9 -61.1 24.2 -57.0 5.2 441 486 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.3 1,-0.3 3,-1.4 0.851 106.9 60.8 -58.1 -37.9 24.1 -53.5 6.8 442 487 A N H ><5S+ 0 0 26 -4,-2.8 3,-1.1 1,-0.3 -1,-0.3 0.814 92.4 67.7 -55.7 -33.2 25.9 -52.0 3.7 443 488 A Q H <<5S+ 0 0 15 -3,-1.5 -1,-0.3 -4,-1.2 -2,-0.2 0.783 105.2 40.1 -64.9 -24.4 23.0 -53.1 1.5 444 489 A V T <<5S- 0 0 2 -3,-1.4 50,-0.3 -4,-0.5 -1,-0.3 0.389 129.1 -94.8-103.7 2.6 20.7 -50.6 3.2 445 490 A G T X 5S+ 0 0 0 -3,-1.1 2,-1.0 -4,-0.4 3,-0.7 0.506 79.6 137.3 104.7 7.7 23.3 -47.9 3.3 446 491 A L T 3 S- 0 0 9 -2,-2.7 3,-0.6 -220,-0.1 -3,-0.1 -0.965 78.6-105.2-156.7 149.3 27.5 -32.9 -2.3 455 500 A P T 3 S+ 0 0 21 0, 0.0 -224,-0.1 0, 0.0 -221,-0.0 -0.224 90.0 30.2 -78.8 164.9 31.1 -33.1 -1.3 456 501 A N T 3 + 0 0 39 1,-0.2 2,-0.1 -226,-0.0 636,-0.1 0.684 68.0 161.4 71.0 21.3 32.7 -34.5 1.9 457 502 A E < - 0 0 12 -3,-0.6 2,-0.3 -5,-0.2 -117,-0.2 -0.519 25.0-151.8 -66.5 145.9 30.1 -37.2 2.7 458 503 A T - 0 0 31 -119,-1.9 -8,-0.2 -2,-0.1 -10,-0.1 -0.842 17.7-147.3-112.7 162.9 31.6 -39.7 5.1 459 504 A R - 0 0 39 -2,-0.3 -12,-0.2 1,-0.3 25,-0.1 0.429 54.5-103.1-105.5 -5.1 30.7 -43.4 5.5 460 505 A G - 0 0 12 23,-0.1 2,-0.4 -120,-0.1 -1,-0.3 -0.092 48.6 -51.6 99.4 160.0 31.3 -43.5 9.3 461 506 A Q - 0 0 48 19,-0.1 21,-0.9 -3,-0.1 2,-0.5 -0.558 53.9-175.9 -76.1 124.6 34.1 -44.8 11.4 462 507 A I - 0 0 32 -2,-0.4 3,-0.1 511,-0.2 -1,-0.1 -0.806 4.7-176.7-130.6 91.3 34.8 -48.5 10.5 463 508 A E - 0 0 34 -2,-0.5 18,-0.1 1,-0.1 504,-0.0 -0.564 37.4 -79.2 -97.2 152.7 37.4 -50.2 12.7 464 509 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.030 38.9-166.0 -46.5 143.5 38.9 -53.7 12.4 465 510 A L + 0 0 10 -3,-0.1 -31,-0.2 1,-0.1 -30,-0.2 -0.725 44.3 109.9-138.2 84.3 36.7 -56.5 13.8 466 511 A T S S+ 0 0 27 -2,-0.3 -36,-3.4 -37,-0.1 -35,-0.5 0.716 87.6 13.0-120.3 -53.0 38.6 -59.8 14.3 467 512 A N S S+ 0 0 17 -38,-0.2 3,-0.2 -37,-0.1 -38,-0.1 0.130 99.3 94.2-121.6 19.0 39.1 -60.7 17.9 468 513 A N > + 0 0 44 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.700 39.5 168.4-115.6 82.4 36.8 -58.3 19.7 469 514 A P H > S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.816 76.5 62.3 -61.2 -41.3 33.5 -60.3 20.1 470 515 A G H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.954 106.9 43.9 -44.1 -56.9 32.2 -57.6 22.5 471 516 A N H > S+ 0 0 29 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.841 109.1 57.0 -61.9 -36.6 32.3 -55.1 19.6 472 517 A Y H X S+ 0 0 1 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.944 109.1 46.4 -58.6 -48.9 30.8 -57.6 17.2 473 518 A L H < S+ 0 0 5 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.876 111.0 52.1 -57.9 -42.2 27.9 -57.8 19.6 474 519 A D H >X>S+ 0 0 58 -4,-2.2 5,-3.1 1,-0.2 4,-2.2 0.830 103.1 60.2 -66.5 -29.1 27.7 -54.1 19.9 475 520 A L H 3<5S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.886 99.5 54.4 -63.5 -40.4 27.7 -53.9 16.1 476 521 A S T 3<5S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.556 114.6 43.0 -72.7 -8.3 24.4 -55.9 15.9 477 522 A I T <45S- 0 0 2 -3,-0.9 -128,-0.4 -4,-0.3 -127,-0.3 0.707 119.4-108.6-102.6 -34.0 23.0 -53.3 18.3 478 523 A G T <5S+ 0 0 0 -4,-2.2 -132,-2.9 -129,-0.1 -133,-0.7 0.684 86.3 113.2 107.1 31.8 24.5 -50.2 16.6 479 524 A Q S - 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