==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-07 3BI1 . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.BARINKA,J.LUBKOWSKI . 694 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 32 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 2 3 2 2 1 1 0 0 0 0 1 2 0 3 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 1 2 0 0 1 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 . 7 1 1 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 0 0 0 0 1 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 55 A K 0 0 213 0, 0.0 2,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 136.7 16.1 46.5 82.3 2 56 A H + 0 0 64 4,-0.1 2,-0.2 3,-0.1 349,-0.0 -0.794 360.0 127.1-103.0 87.2 14.4 46.8 78.8 3 57 A N S > S- 0 0 58 -2,-0.8 4,-1.9 1,-0.0 3,-0.3 -0.587 77.8 -78.5-128.8-171.9 16.7 49.2 76.9 4 58 A M H > S+ 0 0 19 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.912 127.4 57.4 -63.3 -38.8 18.5 49.1 73.6 5 59 A K H > S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.876 104.4 51.8 -58.6 -40.4 21.3 47.0 75.0 6 60 A A H > S+ 0 0 26 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.914 112.2 46.9 -60.0 -48.0 18.8 44.2 76.1 7 61 A F H >X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 3,-0.5 0.938 114.3 46.2 -56.4 -51.7 17.4 44.2 72.5 8 62 A L H >< S+ 0 0 17 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.888 109.6 54.2 -62.4 -39.2 20.8 44.1 70.9 9 63 A D H 3< S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.742 99.8 60.9 -70.6 -23.3 22.1 41.3 73.2 10 64 A E H << S+ 0 0 57 -4,-1.1 -1,-0.2 -3,-0.5 2,-0.2 0.746 82.4 98.9 -75.5 -23.6 19.2 39.0 72.4 11 65 A L << - 0 0 6 -3,-0.8 2,-0.4 -4,-0.7 333,-0.1 -0.494 59.9-163.7 -64.3 134.8 20.2 39.0 68.7 12 66 A K > - 0 0 92 -2,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.965 27.5-147.7-130.0 131.3 22.3 35.8 67.8 13 67 A A H > S+ 0 0 23 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.882 103.2 58.3 -54.7 -41.9 24.5 34.9 64.8 14 68 A E H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 104.5 49.6 -64.7 -30.6 23.4 31.3 65.2 15 69 A N H > S+ 0 0 37 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.920 109.3 50.9 -72.1 -42.4 19.7 32.2 64.8 16 70 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.918 110.3 51.3 -60.6 -41.5 20.4 34.2 61.6 17 71 A K H X S+ 0 0 54 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.935 110.4 48.0 -59.1 -48.4 22.4 31.2 60.2 18 72 A K H X S+ 0 0 122 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.903 113.3 47.5 -59.7 -42.1 19.4 28.8 60.9 19 73 A F H X S+ 0 0 26 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.922 110.1 52.2 -67.9 -41.5 16.9 31.2 59.3 20 74 A L H X S+ 0 0 0 -4,-2.8 4,-0.6 -5,-0.2 3,-0.3 0.951 110.4 48.0 -58.8 -49.3 19.1 31.7 56.3 21 75 A Y H >< S+ 0 0 110 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.946 111.6 51.4 -52.2 -46.3 19.4 28.0 55.8 22 76 A N H 3< S+ 0 0 75 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.800 111.4 47.0 -61.9 -32.9 15.6 27.6 56.2 23 77 A F H 3< S+ 0 0 2 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.443 110.4 50.2 -88.6 -3.7 14.8 30.3 53.6 24 78 A T S << S+ 0 0 0 -3,-1.3 481,-0.4 -4,-0.6 -1,-0.2 0.223 74.5 95.8-127.3 19.3 17.2 29.1 50.8 25 79 A Q S S+ 0 0 59 -3,-0.4 -1,-0.1 -4,-0.3 -2,-0.1 0.728 96.3 19.1 -83.3 -24.4 16.6 25.4 50.2 26 80 A I S S- 0 0 78 303,-0.2 -1,-0.1 302,-0.1 76,-0.1 -0.946 96.2 -86.9-137.3 160.1 14.1 25.9 47.3 27 81 A P - 0 0 7 0, 0.0 302,-0.2 0, 0.0 301,-0.1 -0.395 27.2-162.5 -65.2 150.0 13.4 28.8 45.0 28 82 A H + 0 0 9 300,-1.4 298,-2.0 6,-0.1 2,-0.1 -0.449 19.7 173.8-128.0 55.2 10.9 31.5 46.1 29 83 A L > - 0 0 13 296,-0.2 3,-1.9 73,-0.2 6,-0.4 -0.408 42.7 -95.9 -63.4 136.9 10.1 33.2 42.8 30 84 A A T 3 S+ 0 0 0 296,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.270 108.0 21.3 -54.4 140.4 7.3 35.8 43.1 31 85 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.3 269,-0.1 2,-0.2 0.395 97.7 118.3 84.5 -4.6 3.9 34.5 42.2 32 86 A T S X> S- 0 0 37 -3,-1.9 4,-1.7 1,-0.1 3,-0.5 -0.649 75.6-116.2 -94.5 160.5 4.7 30.8 42.8 33 87 A E H 3> S+ 0 0 104 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.867 113.3 58.5 -59.9 -37.8 3.3 28.4 45.3 34 88 A Q H 3> S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 106.0 48.6 -61.6 -33.3 6.6 28.0 47.1 35 89 A N H <> S+ 0 0 1 -3,-0.5 4,-2.0 -6,-0.4 -1,-0.2 0.857 110.1 50.9 -77.7 -31.3 6.8 31.8 47.8 36 90 A F H X S+ 0 0 47 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.913 109.5 52.0 -67.4 -42.5 3.1 31.8 49.1 37 91 A Q H X S+ 0 0 84 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.919 109.3 49.3 -61.8 -37.2 4.0 28.9 51.4 38 92 A L H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.916 107.7 54.6 -69.2 -37.9 7.0 30.8 52.7 39 93 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.928 109.7 47.4 -55.6 -43.6 4.8 33.9 53.3 40 94 A K H X S+ 0 0 68 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.888 110.5 52.4 -68.4 -35.6 2.4 31.7 55.4 41 95 A Q H X S+ 0 0 61 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.952 111.7 45.5 -61.1 -47.4 5.4 30.3 57.3 42 96 A I H X S+ 0 0 7 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.927 111.1 53.5 -64.9 -41.4 6.7 33.8 58.2 43 97 A Q H X S+ 0 0 31 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.950 111.5 45.7 -58.5 -46.5 3.3 34.9 59.1 44 98 A S H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.914 114.7 47.4 -64.2 -42.1 2.9 32.0 61.6 45 99 A Q H X S+ 0 0 53 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.896 107.8 53.6 -68.8 -42.1 6.4 32.5 63.1 46 100 A W H X>S+ 0 0 4 -4,-3.0 5,-2.1 2,-0.2 4,-0.6 0.880 109.8 50.3 -60.0 -35.1 6.0 36.3 63.6 47 101 A K H ><5S+ 0 0 106 -4,-1.8 3,-1.1 -5,-0.3 -2,-0.2 0.938 111.6 47.3 -63.6 -48.1 2.8 35.5 65.5 48 102 A E H 3<5S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.862 105.3 60.0 -60.1 -35.7 4.7 32.9 67.6 49 103 A F H 3<5S- 0 0 13 -4,-2.6 -1,-0.3 -5,-0.1 304,-0.2 0.679 127.1 -98.8 -69.8 -18.7 7.5 35.4 68.2 50 104 A G T <<5 + 0 0 7 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.507 64.9 154.4 121.7 4.7 5.0 37.7 69.8 51 105 A L < - 0 0 11 -5,-2.1 -1,-0.2 1,-0.1 257,-0.2 -0.307 47.4-125.5 -62.4 153.6 3.7 40.4 67.3 52 106 A D S S- 0 0 53 255,-1.7 2,-0.3 1,-0.2 256,-0.2 0.869 87.8 -1.9 -68.8 -40.2 0.2 41.8 68.0 53 107 A S E -A 307 0A 48 254,-1.1 254,-2.8 2,-0.0 2,-0.3 -0.986 59.0-170.4-147.3 152.4 -1.1 41.1 64.6 54 108 A V E +A 306 0A 0 -2,-0.3 2,-0.3 252,-0.2 252,-0.2 -0.918 18.2 171.6-144.2 116.0 0.3 39.6 61.5 55 109 A E E -A 305 0A 117 250,-2.7 250,-3.0 -2,-0.3 2,-0.5 -0.831 31.4-124.2-123.8 159.6 -1.6 39.7 58.2 56 110 A L E -A 304 0A 42 -2,-0.3 2,-0.6 248,-0.2 248,-0.2 -0.908 19.4-163.2 -96.5 134.1 -1.1 38.9 54.6 57 111 A A E -A 303 0A 20 246,-2.7 246,-3.1 -2,-0.5 2,-0.3 -0.966 16.2-168.2-115.3 116.9 -1.8 41.7 52.2 58 112 A H E +A 302 0A 81 -2,-0.6 2,-0.3 244,-0.2 244,-0.2 -0.736 12.4 178.2-112.3 156.9 -2.3 40.4 48.6 59 113 A Y E -A 301 0A 2 242,-1.8 242,-2.7 -2,-0.3 2,-0.6 -0.958 28.8-127.3-146.8 158.1 -2.5 42.1 45.2 60 114 A D E +A 300 0A 21 160,-2.3 2,-0.3 -2,-0.3 240,-0.2 -0.948 43.9 166.2-117.8 106.7 -2.8 40.8 41.6 61 115 A V E -A 299 0A 0 238,-2.5 238,-2.9 -2,-0.6 2,-0.6 -0.788 43.4 -89.2-124.4 159.0 -0.0 42.4 39.6 62 116 A L E +A 298 0A 6 -2,-0.3 236,-0.2 236,-0.2 2,-0.2 -0.614 50.7 170.0 -73.8 119.9 1.6 41.9 36.2 63 117 A L E -A 297 0A 0 234,-2.6 234,-2.4 -2,-0.6 2,-0.3 -0.584 21.6-137.9-115.7 180.0 4.5 39.4 36.4 64 118 A S E +A 296 0A 0 232,-0.3 232,-0.2 -2,-0.2 45,-0.1 -0.989 20.9 172.3-146.1 135.3 6.5 37.7 33.6 65 119 A Y E -A 295 0A 34 230,-2.1 230,-2.6 -2,-0.3 43,-0.0 -0.989 34.0-105.8-143.1 149.6 7.7 34.1 33.1 66 120 A P - 0 0 17 0, 0.0 2,-0.6 0, 0.0 228,-0.1 -0.315 42.4-104.3 -65.1 161.1 9.4 32.0 30.5 67 121 A N > - 0 0 57 3,-0.5 3,-1.4 1,-0.1 5,-0.1 -0.795 25.6-147.8 -87.8 119.1 7.3 29.5 28.6 68 122 A K T 3 S+ 0 0 201 -2,-0.6 -1,-0.1 1,-0.2 226,-0.0 0.779 95.5 39.8 -58.6 -27.7 8.2 26.0 30.0 69 123 A T T 3 S+ 0 0 128 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 0.268 117.7 45.9-110.2 17.3 7.6 24.2 26.7 70 124 A H S < S- 0 0 82 -3,-1.4 -3,-0.5 223,-0.0 -1,-0.2 -0.572 85.5-155.5-152.0 78.6 9.1 26.8 24.3 71 125 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.116 13.9-115.5 -70.8 152.5 12.4 28.0 25.8 72 126 A N + 0 0 12 17,-0.2 2,-0.3 34,-0.1 220,-0.2 -0.664 48.0 144.4 -81.4 140.4 14.2 31.2 25.2 73 127 A Y E -I 291 0B 50 218,-1.6 218,-1.9 -2,-0.3 2,-0.4 -0.972 39.0-126.8-166.1 166.3 17.6 31.2 23.4 74 128 A I E -I 290 0B 0 -2,-0.3 13,-2.7 216,-0.2 2,-0.3 -0.940 25.4-167.7-118.9 144.3 19.8 33.0 20.9 75 129 A S E -IJ 289 86B 0 214,-2.9 214,-2.4 -2,-0.4 2,-0.5 -0.899 26.5-135.5-122.8 157.6 21.4 31.6 17.7 76 130 A I E -IJ 288 85B 4 9,-1.9 8,-1.7 -2,-0.3 9,-1.1 -0.961 36.5-163.7 -98.3 129.6 24.0 32.5 15.2 77 131 A I E -IJ 287 83B 8 210,-2.7 210,-2.4 -2,-0.5 6,-0.2 -0.938 7.9-138.4-114.5 140.7 22.2 31.5 11.9 78 132 A N > - 0 0 38 4,-2.6 3,-2.7 -2,-0.4 4,-0.1 -0.389 40.2 -85.0 -87.8 178.1 23.9 31.0 8.5 79 133 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.2 207,-0.1 0.709 127.8 55.2 -56.0 -28.0 22.7 32.2 5.1 80 134 A D T 3 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.401 121.3-105.4 -85.1 1.4 20.5 29.1 4.7 81 135 A G S < S+ 0 0 48 -3,-2.7 2,-0.4 1,-0.3 -2,-0.2 0.713 71.5 146.3 79.5 21.2 18.7 29.8 8.0 82 136 A N - 0 0 96 -4,-0.1 -4,-2.6 1,-0.0 2,-1.0 -0.784 51.0-128.9 -90.0 136.7 20.5 27.0 9.9 83 137 A E E +J 77 0B 67 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.729 30.5 176.1 -88.0 102.8 21.2 27.7 13.5 84 138 A I E + 0 0 85 -8,-1.7 2,-0.3 -2,-1.0 -1,-0.2 0.530 67.0 23.4 -88.9 -9.8 24.9 26.9 13.9 85 139 A F E -J 76 0B 42 -9,-1.1 -9,-1.9 2,-0.0 2,-0.4 -0.942 66.4-168.2-153.8 134.0 25.3 27.9 17.5 86 140 A N E -J 75 0B 78 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.987 21.9-124.0-123.4 139.9 22.7 28.1 20.3 87 141 A T - 0 0 5 -13,-2.7 156,-0.0 -2,-0.4 -2,-0.0 -0.325 48.5 -76.1 -70.4 166.8 23.0 29.7 23.7 88 142 A S - 0 0 61 1,-0.1 -1,-0.1 -15,-0.1 -14,-0.1 -0.169 25.5-147.5 -66.7 151.1 22.3 27.6 26.8 89 143 A L S S- 0 0 81 1,-0.2 2,-0.3 -3,-0.1 -17,-0.2 0.583 80.6 -0.1 -91.3 -10.2 18.8 26.7 27.9 90 144 A F S S- 0 0 127 15,-0.1 -1,-0.2 107,-0.0 14,-0.0 -0.972 79.5 -95.0-166.2 162.6 19.7 26.7 31.6 91 145 A E - 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0 0 24 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.555 28.6-179.6 -88.7 148.8 7.8 45.9 77.2 357 411 A R - 0 0 65 -2,-0.2 -47,-0.1 -49,-0.0 4,-0.1 -0.986 30.8-112.0-137.6 150.2 6.4 47.8 74.3 358 412 A P - 0 0 1 0, 0.0 -47,-2.9 0, 0.0 -46,-0.3 -0.385 27.5-115.9 -74.4 166.5 8.1 50.4 72.2 359 413 A R S S+ 0 0 51 175,-0.3 -46,-3.0 -49,-0.2 -47,-2.1 0.944 99.5 33.7 -65.4 -49.3 7.0 54.1 72.5 360 414 A R E S- c 0 313A 1 174,-2.9 -49,-0.2 -50,-0.2 2,-0.2 -0.684 100.6 -89.1-101.7 163.1 5.8 54.2 68.8 361 415 A T E - c 0 317A 6 -45,-1.7 -43,-2.5 -48,-1.0 2,-0.5 -0.454 35.4-150.9 -70.1 136.0 4.3 51.4 66.6 362 416 A I E -Bc 308 318A 0 -54,-2.4 -54,-2.7 -45,-0.2 2,-0.4 -0.954 6.9-162.9-108.3 129.7 6.7 49.2 64.7 363 417 A L E -Bc 307 319A 15 -45,-2.6 -43,-2.7 -2,-0.5 2,-0.4 -0.931 3.0-161.0-108.5 135.5 5.6 47.7 61.4 364 418 A F E -Bc 306 320A 0 -58,-2.7 -58,-2.9 -2,-0.4 2,-0.4 -0.953 10.5-166.9-115.6 133.1 7.5 44.7 60.0 365 419 A A E -Bc 305 321A 3 -45,-2.4 -43,-1.8 -2,-0.4 2,-0.6 -0.985 23.5-168.6-129.9 136.2 7.2 43.8 56.3 366 420 A S E -Bc 304 322A 10 -62,-2.3 -62,-2.3 -2,-0.4 -43,-0.2 -0.956 32.4-153.7-111.8 98.8 8.1 40.9 54.1 367 421 A W E - c 0 323A 0 -45,-2.5 -43,-2.8 -2,-0.6 -42,-0.8 -0.534 4.5-148.1 -79.8 147.5 7.5 42.3 50.6 368 422 A D S S+ 0 0 2 -2,-0.2 8,-1.7 -45,-0.2 9,-0.4 -0.656 71.0 19.6-105.8 164.6 6.7 40.2 47.6 369 423 A A S > S+ 0 0 0 -2,-0.2 6,-1.7 6,-0.2 3,-0.8 0.715 70.2 139.4 54.8 27.5 7.6 40.8 43.9 370 424 A E G >> + 0 0 9 4,-0.3 4,-2.3 -3,-0.3 3,-1.8 0.901 69.3 58.0 -63.5 -39.6 10.4 43.1 44.6 371 425 A E G 34 S+ 0 0 11 1,-0.3 -168,-0.7 2,-0.2 -1,-0.2 0.694 101.3 56.7 -65.7 -16.5 12.5 41.5 41.9 372 426 A F G <4 S- 0 0 0 -3,-0.8 -1,-0.3 -170,-0.1 -2,-0.2 0.185 141.5 -54.2-100.9 13.2 9.7 42.3 39.3 373 427 A G T <4 S- 0 0 4 -3,-1.8 -162,-0.3 -170,-0.1 -2,-0.2 0.697 83.5 -71.1 127.5 28.8 9.8 46.1 40.0 374 428 A L S X S+ 0 0 5 -4,-2.3 4,-2.1 -5,-0.2 -4,-0.3 0.862 83.5 152.9 65.6 33.3 9.3 46.8 43.7 375 429 A L H > + 0 0 0 -6,-1.7 4,-2.6 1,-0.2 -163,-0.3 0.894 58.7 47.4 -73.4 -42.8 5.7 45.7 43.2 376 430 A G H > S+ 0 0 0 -8,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.932 116.1 43.1 -64.7 -49.7 4.7 44.5 46.7 377 431 A S H > S+ 0 0 0 -9,-0.4 4,-2.7 1,-0.2 5,-0.2 0.925 116.6 48.5 -62.9 -42.3 6.0 47.4 48.6 378 432 A T H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.926 111.1 48.2 -69.6 -40.8 4.6 49.9 46.1 379 433 A E H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.898 113.5 48.3 -63.6 -42.3 1.1 48.4 46.0 380 434 A W H X S+ 0 0 23 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.927 111.7 48.9 -64.6 -41.9 0.9 48.3 49.7 381 435 A A H X S+ 0 0 1 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.876 109.9 52.6 -64.3 -39.0 2.1 51.9 50.0 382 436 A E H >< S+ 0 0 8 -4,-2.6 3,-0.5 -5,-0.2 -1,-0.2 0.902 111.2 46.7 -61.5 -42.1 -0.5 52.9 47.4 383 437 A E H 3< S+ 0 0 96 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.917 124.7 31.8 -63.6 -36.7 -3.2 51.2 49.4 384 438 A N H >X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 3,-0.6 0.169 78.7 122.7-109.9 18.0 -2.0 52.8 52.7 385 439 A S H S+ 0 0 175 -3,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.904 112.5 44.9 -66.2 -35.2 -2.9 58.3 53.7 387 441 A L H <> S+ 0 0 64 -3,-0.6 4,-1.7 2,-0.2 5,-0.2 0.923 116.5 47.6 -67.4 -44.7 -1.9 56.5 56.8 388 442 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.896 109.9 49.7 -66.8 -43.1 1.8 56.6 55.8 389 443 A Q H < S+ 0 0 54 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.854 119.5 36.6 -72.6 -26.7 1.9 60.2 54.9 390 444 A E H < S+ 0 0 105 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.659 134.1 22.1 -92.4 -15.5 0.3 61.4 58.2 391 445 A R H < S+ 0 0 88 -4,-1.7 -74,-2.6 -5,-0.1 2,-0.6 0.464 85.8 116.8-127.6 -9.9 1.8 58.8 60.5 392 446 A G E < +d 317 0A 0 -4,-2.3 85,-0.2 -5,-0.2 -74,-0.2 -0.561 28.4 173.4 -77.0 117.3 5.0 57.5 58.9 393 447 A V E - 0 0 1 -76,-2.9 84,-0.5 -2,-0.6 2,-0.3 0.919 62.3 -26.1 -82.7 -52.0 8.1 58.3 61.0 394 448 A A E -de 318 477A 1 -77,-1.2 -75,-2.7 82,-0.1 2,-0.4 -0.987 45.9-140.6-162.5 156.1 10.8 56.3 59.1 395 449 A Y E -de 319 478A 0 82,-2.3 84,-2.0 -2,-0.3 2,-0.5 -0.998 12.8-166.3-126.2 128.4 11.4 53.3 56.9 396 450 A I E -de 320 479A 1 -77,-3.1 -75,-2.3 -2,-0.4 84,-0.2 -0.961 17.9-142.2-112.8 120.1 14.5 51.1 57.3 397 451 A N E -d 321 0A 1 82,-2.7 84,-0.4 -2,-0.5 -75,-0.2 -0.434 13.2-167.5 -78.6 159.1 15.1 48.7 54.4 398 452 A A + 0 0 0 -77,-1.5 -57,-0.2 -2,-0.1 3,-0.1 -0.341 32.5 133.1-148.9 59.8 16.4 45.2 54.9 399 453 A D S S- 0 0 7 1,-0.3 82,-0.1 -77,-0.2 -66,-0.1 -0.019 71.7 -4.9 -83.6-157.6 17.5 43.6 51.6 400 454 A S - 0 0 4 1,-0.1 -1,-0.3 -63,-0.1 -67,-0.1 0.064 57.5-156.9 -39.4 128.8 20.8 41.7 51.4 401 455 A S S S+ 0 0 0 -69,-0.3 82,-2.8 1,-0.1 2,-0.4 0.711 76.4 29.8 -79.5 -21.1 22.9 42.0 54.6 402 456 A I B +f 483 0A 0 80,-0.2 82,-0.2 -70,-0.2 -1,-0.1 -0.991 39.4 159.3-139.1 141.5 26.2 41.3 52.9 403 457 A E S S- 0 0 15 80,-1.7 2,-0.3 1,-0.4 82,-0.3 0.131 86.8 -6.4-136.5 11.1 27.7 41.9 49.5 404 458 A G - 0 0 8 79,-0.4 -1,-0.4 80,-0.2 81,-0.2 -0.950 65.8-115.9 176.8-177.8 31.2 41.6 50.8 405 459 A N S S+ 0 0 84 -2,-0.3 80,-0.2 -3,-0.1 3,-0.1 0.066 83.9 87.8-130.7 27.4 33.2 41.3 54.1 406 460 A Y S S- 0 0 59 78,-2.2 2,-0.3 1,-0.3 79,-0.2 0.926 90.9 -33.6 -99.2 -56.1 35.2 44.5 54.2 407 461 A T E -G 484 0A 4 77,-1.7 77,-3.0 78,-0.1 -1,-0.3 -0.938 68.1 -68.3-158.8 177.7 33.2 47.3 55.9 408 462 A L E -G 483 0A 1 -2,-0.3 2,-0.4 75,-0.2 75,-0.2 -0.502 33.5-160.3 -74.4 149.8 29.8 48.9 56.5 409 463 A R E +G 482 0A 51 73,-2.8 73,-2.2 -2,-0.2 2,-0.4 -0.999 12.4 179.4-127.6 127.3 27.8 50.6 53.7 410 464 A V E +G 481 0A 3 47,-0.4 49,-2.1 -2,-0.4 2,-0.4 -0.999 9.4 179.4-128.9 135.5 25.1 53.0 54.7 411 465 A D E +Gh 480 459A 10 69,-2.0 69,-2.0 -2,-0.4 2,-0.3 -0.998 29.2 128.8-129.5 129.1 22.8 55.0 52.4 412 466 A C E -G 479 0A 1 47,-1.8 67,-0.2 -2,-0.4 49,-0.1 -0.997 58.1 -70.5-166.3 168.1 20.2 57.3 54.0 413 467 A T > - 0 0 0 65,-2.2 3,-2.3 -2,-0.3 4,-0.3 -0.401 47.6-115.6 -61.3 147.5 18.5 60.6 54.4 414 468 A P G > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.778 112.6 73.8 -53.1 -28.7 20.7 63.4 56.1 415 469 A L G 3 S+ 0 0 1 1,-0.3 127,-1.2 2,-0.1 4,-0.3 0.741 99.4 44.4 -58.2 -23.4 18.1 63.3 58.9 416 470 A M G <> S+ 0 0 0 -3,-2.3 4,-2.5 125,-0.2 -1,-0.3 0.382 83.0 96.9-101.9 1.9 19.6 60.0 60.0 417 471 A Y H <> S+ 0 0 30 -3,-1.5 4,-2.7 -4,-0.3 5,-0.2 0.911 87.8 44.6 -58.1 -46.8 23.3 60.7 59.8 418 472 A S H > S+ 0 0 33 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.917 112.0 53.1 -67.2 -38.4 23.7 61.6 63.5 419 473 A L H > S+ 0 0 9 121,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.914 111.8 45.8 -58.9 -48.8 21.6 58.6 64.6 420 474 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.919 112.7 49.6 -65.7 -43.3 23.9 56.3 62.5 421 475 A H H X S+ 0 0 28 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.948 114.2 45.0 -58.5 -47.7 27.1 57.9 63.8 422 476 A N H X S+ 0 0 97 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.883 114.2 48.5 -67.8 -35.9 25.9 57.6 67.4 423 477 A L H >< S+ 0 0 4 -4,-2.4 3,-1.5 -5,-0.2 4,-0.3 0.949 109.3 51.0 -70.9 -44.7 24.7 54.0 67.1 424 478 A T H >< S+ 0 0 0 -4,-2.6 16,-1.9 1,-0.3 3,-0.8 0.771 102.6 61.6 -66.7 -24.4 27.8 52.7 65.4 425 479 A K H 3< S+ 0 0 111 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.710 106.7 46.8 -69.0 -19.3 30.0 54.2 68.1 426 480 A E T << S+ 0 0 130 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.2 0.379 99.5 83.9 -98.2 -6.2 28.2 51.9 70.6 427 481 A L S < S- 0 0 7 -3,-0.8 12,-2.8 -4,-0.3 13,-0.4 -0.813 81.1-114.7-101.6 150.0 28.4 48.7 68.5 428 482 A K B -U 438 0I 166 -2,-0.3 10,-0.2 10,-0.3 7,-0.1 -0.530 28.8-119.1 -78.4 139.1 31.5 46.4 68.4 429 483 A S - 0 0 12 8,-2.6 7,-0.3 5,-0.4 8,-0.2 -0.669 15.1-159.8 -75.9 137.0 33.4 46.1 65.2 430 484 A P + 0 0 18 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.420 55.2 116.9 -89.7 0.4 33.4 42.5 63.8 431 485 A D S > S- 0 0 3 3,-0.2 3,-1.9 1,-0.1 2,-0.1 -0.459 73.5-110.5 -79.6 140.3 36.5 43.2 61.6 432 486 A E T 3 S+ 0 0 134 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.398 107.7 27.9 -62.1 137.1 39.8 41.5 62.0 433 487 A G T 3 S+ 0 0 54 -2,-0.1 -1,-0.3 4,-0.0 -2,-0.1 0.338 109.2 74.9 91.3 -11.0 42.3 43.9 63.4 434 488 A F X + 0 0 36 -3,-1.9 3,-2.3 3,-0.1 -5,-0.4 -0.061 58.6 151.6-121.9 31.1 39.7 46.0 65.2 435 489 A E T 3 S+ 0 0 135 1,-0.3 3,-0.1 -5,-0.1 -3,-0.0 -0.414 75.0 15.4 -65.1 136.9 38.9 43.7 68.1 436 490 A G T 3 S+ 0 0 82 -7,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.413 107.0 108.7 76.5 -2.8 37.7 45.8 71.0 437 491 A K S < S- 0 0 92 -3,-2.3 -8,-2.6 -8,-0.2 -1,-0.3 -0.658 73.2-100.9-102.4 163.1 37.1 48.9 68.8 438 492 A S B > -U 428 0I 29 -10,-0.2 4,-1.9 -2,-0.2 -10,-0.3 -0.393 23.4-119.2 -76.4 158.4 33.8 50.3 67.8 439 493 A L H > S+ 0 0 0 -12,-2.8 4,-2.9 -15,-0.7 5,-0.3 0.866 116.2 59.7 -61.8 -37.7 32.1 49.8 64.4 440 494 A Y H > S+ 0 0 28 -16,-1.9 4,-2.7 -13,-0.4 5,-0.2 0.921 104.5 49.9 -54.8 -43.5 32.3 53.5 63.9 441 495 A E H > S+ 0 0 89 -17,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.937 114.5 41.6 -65.8 -44.1 36.1 53.3 64.2 442 496 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.934 117.1 48.8 -71.2 -42.4 36.5 50.5 61.7 443 497 A W H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 14,-0.3 0.918 111.8 47.7 -59.5 -47.0 34.0 51.9 59.3 444 498 A T H < S+ 0 0 20 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.923 113.3 48.8 -63.1 -39.3 35.5 55.4 59.4 445 499 A K H < S+ 0 0 158 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.950 119.7 37.0 -64.7 -45.4 39.0 54.0 58.8 446 500 A K H < S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.731 130.2 28.8 -81.5 -23.7 38.0 51.8 55.9 447 501 A S S < S- 0 0 24 -4,-2.4 10,-2.6 -5,-0.2 -1,-0.2 -0.546 81.3-171.1-138.7 66.5 35.5 54.1 54.3 448 502 A P B -V 456 0J 75 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.305 30.9-105.0 -63.9 145.0 36.4 57.7 55.0 449 503 A S - 0 0 17 6,-3.0 6,-0.1 3,-0.4 8,-0.1 -0.425 18.7-141.3 -57.7 134.6 34.1 60.5 54.2 450 504 A P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.805 100.9 40.7 -66.1 -27.3 35.3 62.5 51.1 451 505 A E S S+ 0 0 106 1,-0.1 2,-0.4 2,-0.0 6,-0.0 0.777 113.0 42.3 -92.2 -32.3 34.2 65.7 52.9 452 506 A F S > S- 0 0 116 3,-0.1 3,-1.2 4,-0.0 -3,-0.4 -0.949 70.4-119.0-136.5 141.6 35.2 65.4 56.6 453 507 A S T 3 S+ 0 0 123 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.498 98.6 8.1 -76.9 133.6 38.0 64.2 58.8 454 508 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.2 -2,-0.2 -10,-0.1 0.652 106.2 110.4 75.3 13.5 37.3 61.4 61.2 455 509 A M < - 0 0 69 -3,-1.2 -6,-3.0 -6,-0.1 -1,-0.3 -0.916 63.6-124.6-114.6 149.4 33.8 60.8 59.6 456 510 A P B -V 448 0J 6 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.508 31.1 -96.5 -88.6 161.1 32.6 57.8 57.5 457 511 A R - 0 0 120 -10,-2.6 -47,-0.4 -14,-0.3 2,-0.4 -0.587 37.6-178.8 -73.8 131.0 31.1 57.9 54.0 458 512 A I - 0 0 25 -2,-0.3 -47,-0.2 -49,-0.1 2,-0.1 -0.995 17.0-147.8-129.2 127.2 27.2 57.8 53.9 459 513 A S B -h 411 0A 47 -49,-2.1 -47,-1.8 -2,-0.4 2,-0.1 -0.457 18.2 -99.1 -94.0 165.4 25.7 57.8 50.4 460 514 A K - 0 0 55 -49,-0.2 2,-0.4 -2,-0.1 187,-0.3 -0.420 42.2-106.6 -70.7 154.2 22.5 59.2 49.0 461 515 A L + 0 0 2 -49,-0.1 187,-0.2 1,-0.1 -1,-0.1 -0.663 42.6 172.5 -77.2 135.1 19.6 56.9 48.5 462 516 A G - 0 0 3 -2,-0.4 2,-0.2 183,-0.2 184,-0.2 0.253 32.1 -95.0-102.8-120.8 18.9 56.0 44.9 463 517 A S S S+ 0 0 2 181,-0.9 -1,-0.2 180,-0.1 3,-0.1 -0.738 75.0 100.3-141.9-157.7 16.4 53.4 43.8 464 518 A G S S+ 0 0 19 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.704 81.6 76.2 79.7 25.3 16.2 49.8 42.9 465 519 A N S > S- 0 0 6 -3,-0.1 3,-2.1 -92,-0.1 -1,-0.3 -0.973 95.0 -91.7-157.8 172.5 14.9 48.7 46.3 466 520 A D T 3> S+ 0 0 0 1,-0.3 4,-0.5 -2,-0.3 3,-0.4 0.569 111.1 71.3 -70.0 -9.7 11.7 48.8 48.4 467 521 A F H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.1 5,-0.4 0.629 75.1 91.2 -71.7 -11.2 12.4 52.1 50.1 468 522 A E H <>>S+ 0 0 5 -3,-2.1 4,-1.6 1,-0.2 5,-1.1 0.910 86.6 43.1 -56.1 -47.5 11.7 53.9 46.8 469 523 A V H >>S+ 0 0 4 -3,-0.4 5,-2.2 1,-0.2 4,-0.7 0.923 116.7 48.2 -64.3 -42.2 7.9 54.4 47.3 470 524 A F H <5S+ 0 0 0 -4,-0.5 6,-3.0 3,-0.2 -2,-0.2 0.900 124.4 27.7 -64.4 -41.8 8.4 55.5 50.9 471 525 A F H X5S+ 0 0 1 -4,-2.8 4,-1.0 4,-0.2 -3,-0.2 0.950 128.8 32.2 -88.3 -57.0 11.2 58.0 50.3 472 526 A Q H <5S+ 0 0 0 -4,-1.6 161,-2.5 -5,-0.4 162,-1.0 0.771 131.0 30.1 -80.1 -29.3 10.8 59.3 46.7 473 527 A R T < - 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