==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-AUG-11 3TIU . COMPND 2 MOLECULE: SARS CORONAVIRUS MAIN PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR L.ZHU,R.HILGENFELD . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 22.2 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 . 27 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 3 2 1 3 0 1 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 0 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 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 1 A S 0 0 165 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 179.3 16.1 29.4 2.1 2 2 A G - 0 0 44 212,-0.1 2,-0.3 1,-0.1 280,-0.0 -0.166 360.0-126.9 98.2 160.4 12.5 30.5 1.1 3 3 A F + 0 0 30 -2,-0.1 2,-0.3 279,-0.1 -1,-0.1 -0.876 31.2 167.2-150.3 116.1 9.3 30.5 3.1 4 4 A R - 0 0 203 -2,-0.3 2,-0.9 2,-0.0 295,-0.0 -0.914 47.6-103.6-125.5 149.2 6.1 28.9 1.9 5 5 A K - 0 0 95 -2,-0.3 2,-0.5 122,-0.0 122,-0.1 -0.693 54.8-165.3 -67.6 111.1 2.7 27.9 3.4 6 6 A M - 0 0 80 -2,-0.9 2,-0.2 120,-0.1 120,-0.1 -0.911 13.5-155.2-117.5 126.5 3.6 24.3 3.5 7 7 A A - 0 0 26 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.640 30.1 -99.3 -91.2 154.5 1.1 21.4 4.1 8 8 A F - 0 0 18 142,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.369 51.7 -87.2 -61.7 145.2 2.0 18.0 5.5 9 9 A P - 0 0 103 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.428 42.6-152.7 -55.0 134.3 2.4 15.2 3.0 10 10 A S >> + 0 0 17 1,-0.2 4,-2.3 2,-0.1 3,-1.0 0.469 63.3 103.4 -98.1 -5.5 -1.1 13.9 2.6 11 11 A G H 3> S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.844 79.2 52.9 -46.9 -47.3 -0.6 10.2 1.6 12 12 A K H 34 S+ 0 0 76 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.838 114.7 43.4 -62.8 -30.9 -1.5 8.7 5.0 13 13 A V H X4 S+ 0 0 0 -3,-1.0 3,-1.7 1,-0.2 4,-0.4 0.826 104.3 62.6 -82.1 -33.1 -4.8 10.6 4.9 14 14 A E H >< S+ 0 0 88 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.884 97.9 59.2 -58.0 -39.0 -5.6 9.8 1.3 15 15 A G T 3< S+ 0 0 25 -4,-1.5 82,-0.3 1,-0.2 -1,-0.3 0.438 103.9 52.6 -70.2 0.1 -5.7 6.1 2.1 16 16 A C T < S+ 0 0 1 -3,-1.7 15,-3.8 2,-0.0 2,-0.3 0.436 82.4 109.5-113.2 -4.9 -8.5 6.7 4.6 17 17 A M E < +A 30 0A 13 -3,-1.3 54,-0.3 -4,-0.4 2,-0.3 -0.608 37.9 163.8 -83.7 132.2 -11.0 8.7 2.4 18 18 A V E -A 29 0A 1 11,-2.5 11,-2.8 -2,-0.3 2,-0.4 -0.821 35.2-112.8-133.4 173.1 -14.3 7.1 1.4 19 19 A Q E -AB 28 69A 38 50,-2.1 50,-2.2 -2,-0.3 2,-0.5 -0.889 25.2-161.8-110.5 140.6 -17.5 8.2 -0.0 20 20 A V E -AB 27 68A 0 7,-3.1 7,-2.1 -2,-0.4 2,-0.4 -0.991 6.9-172.7-129.1 126.4 -20.7 7.9 2.0 21 21 A T E +AB 26 67A 20 46,-2.9 46,-2.4 -2,-0.5 2,-0.3 -0.930 12.1 173.6-119.6 141.8 -24.2 8.0 0.5 22 22 A C E > S-AB 25 66A 7 3,-2.4 3,-1.9 -2,-0.4 2,-0.4 -0.915 71.9 -39.7-146.9 118.4 -27.6 8.1 2.1 23 23 A G T 3 S- 0 0 65 42,-0.5 22,-0.1 -2,-0.3 20,-0.1 -0.522 125.7 -25.2 61.5-119.0 -30.6 8.6 -0.2 24 24 A T T 3 S+ 0 0 135 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.2 0.204 116.2 100.7-107.6 9.4 -29.5 11.1 -2.8 25 25 A T E < -A 22 0A 39 -3,-1.9 -3,-2.4 17,-0.2 2,-0.4 -0.890 47.2-177.7-100.6 123.7 -26.8 12.8 -0.7 26 26 A T E +A 21 0A 48 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.974 14.6 146.2-116.4 139.0 -23.2 11.8 -1.2 27 27 A L E -A 20 0A 4 -7,-2.1 -7,-3.1 -2,-0.4 2,-0.2 -0.897 46.2 -75.4-154.0-178.6 -20.2 13.3 0.8 28 28 A N E -A 19 0A 0 117,-2.8 2,-0.3 -2,-0.3 -9,-0.2 -0.568 36.5-168.5 -92.5 149.7 -16.8 12.1 2.2 29 29 A G E -A 18 0A 0 -11,-2.8 -11,-2.5 -2,-0.2 2,-0.5 -0.907 20.2-127.3-128.2 159.6 -16.1 9.8 5.1 30 30 A L E -AC 17 37A 0 7,-2.3 7,-2.3 -2,-0.3 2,-0.7 -0.952 21.1-155.5-110.6 121.9 -12.9 9.0 7.0 31 31 A W E + C 0 36A 18 -15,-3.8 2,-0.4 -2,-0.5 5,-0.2 -0.838 22.1 161.4-106.2 106.8 -12.1 5.3 7.4 32 32 A L E > - C 0 35A 1 3,-2.2 3,-2.2 -2,-0.7 2,-0.1 -0.996 67.3 -37.2-124.1 130.6 -10.0 4.1 10.3 33 33 A D T 3 S- 0 0 73 -2,-0.4 62,-2.6 62,-0.3 64,-0.1 -0.407 125.7 -28.2 55.5-124.4 -9.9 0.5 11.4 34 34 A D T 3 S+ 0 0 55 60,-0.2 57,-2.5 -2,-0.1 2,-0.4 0.033 120.0 91.1-112.0 30.6 -13.5 -0.6 11.0 35 35 A T E < -CD 32 90A 8 -3,-2.2 -3,-2.2 55,-0.2 2,-0.5 -0.957 54.4-158.8-123.0 139.8 -15.2 2.8 11.5 36 36 A V E -CD 31 89A 0 53,-2.3 53,-2.8 -2,-0.4 2,-0.4 -0.985 12.8-157.3-115.7 128.8 -16.2 5.4 8.9 37 37 A Y E +CD 30 88A 12 -7,-2.3 -7,-2.3 -2,-0.5 51,-0.2 -0.888 23.6 152.4-106.1 132.4 -16.7 9.0 10.2 38 38 A C E - D 0 87A 0 49,-1.7 49,-2.5 -2,-0.4 -9,-0.1 -0.978 50.8 -78.8-150.5 164.6 -18.8 11.5 8.4 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.3 0, 0.0 47,-0.2 -0.419 35.4-135.9 -62.9 143.1 -21.0 14.6 9.0 40 40 A R G > S+ 0 0 41 45,-2.6 3,-2.4 1,-0.3 4,-0.2 0.746 95.8 82.0 -73.1 -19.7 -24.4 13.6 10.3 41 41 A H G > + 0 0 45 44,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.630 68.3 85.8 -63.6 -8.2 -26.0 16.0 7.9 42 42 A V G < S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.2 -17,-0.2 0.828 83.7 59.2 -53.9 -32.0 -25.7 13.3 5.3 43 43 A I G < S+ 0 0 5 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.649 88.5 94.9 -79.1 -11.7 -29.0 12.0 6.6 44 44 A C < - 0 0 10 -3,-1.3 2,-0.2 -4,-0.2 -22,-0.1 -0.491 54.2-166.6 -72.4 144.8 -30.8 15.3 5.8 45 45 A T > - 0 0 73 -2,-0.2 4,-1.0 -22,-0.1 2,-0.7 -0.584 49.2 -57.3-110.5-171.2 -32.8 15.8 2.6 46 46 A A T 4 S+ 0 0 74 1,-0.2 -1,-0.0 -2,-0.2 0, 0.0 -0.561 130.8 20.7 -74.7 111.4 -34.1 19.1 1.2 47 47 A E T >> S+ 0 0 167 -2,-0.7 3,-1.6 5,-0.0 4,-0.8 -0.433 108.6 78.0 123.2 -49.9 -36.4 20.7 3.8 48 48 A D T 34 S+ 0 0 47 1,-0.2 -2,-0.2 -3,-0.2 -4,-0.1 0.817 79.8 77.7 -45.3 -31.9 -34.8 18.7 6.6 49 49 A M T 3< S+ 0 0 67 -4,-1.0 140,-2.9 1,-0.2 -1,-0.2 0.722 92.2 45.7 -61.7 -26.0 -32.0 21.2 6.3 50 50 A L T <4 S+ 0 0 107 -3,-1.6 -1,-0.2 138,-0.2 -2,-0.2 0.941 132.6 8.1 -85.7 -50.4 -33.8 24.0 8.2 51 51 A N S < S+ 0 0 135 -4,-0.8 -2,-0.2 137,-0.1 -1,-0.2 -0.353 81.5 167.1-128.0 55.2 -35.2 22.3 11.2 52 52 A P - 0 0 15 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.462 26.2-154.9 -77.8 139.7 -33.7 18.7 11.3 53 53 A N > - 0 0 97 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.934 9.9-167.1-106.4 106.7 -34.0 16.6 14.3 54 54 A Y H > S+ 0 0 11 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.826 83.6 54.6 -69.4 -35.0 -31.1 14.2 13.9 55 55 A E H > S+ 0 0 156 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 114.2 43.8 -59.9 -42.4 -32.1 11.7 16.6 56 56 A D H > S+ 0 0 75 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.803 115.3 47.5 -75.2 -31.9 -35.5 11.4 14.8 57 57 A L H < S+ 0 0 23 -4,-2.1 3,-0.4 2,-0.1 -2,-0.2 0.891 113.5 48.3 -75.1 -41.0 -34.0 11.2 11.4 58 58 A L H >< S+ 0 0 17 -4,-2.9 3,-2.5 1,-0.2 -2,-0.2 0.889 101.7 59.6 -68.5 -39.6 -31.4 8.6 12.4 59 59 A I H 3< S+ 0 0 139 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.772 99.8 61.6 -64.4 -24.8 -33.8 6.2 14.2 60 60 A R T 3< S+ 0 0 176 -4,-0.6 2,-0.3 -3,-0.4 -1,-0.3 0.380 94.6 81.3 -74.3 -4.7 -35.6 5.9 10.9 61 61 A K < - 0 0 65 -3,-2.5 2,-0.2 -4,-0.0 -18,-0.0 -0.802 61.5-155.8-105.2 151.3 -32.4 4.4 9.2 62 62 A S > - 0 0 38 -2,-0.3 3,-0.8 17,-0.0 4,-0.3 -0.534 39.9 -96.3-104.1-178.9 -31.0 0.9 9.1 63 63 A N G > S+ 0 0 52 1,-0.2 3,-1.3 -2,-0.2 14,-0.2 0.885 125.7 53.6 -63.2 -38.3 -27.4 -0.1 8.5 64 64 A H G 3 S+ 0 0 168 1,-0.3 -1,-0.2 12,-0.1 14,-0.0 0.450 86.4 78.7 -85.1 -0.2 -28.2 -0.7 4.9 65 65 A S G < S+ 0 0 43 -3,-0.8 -42,-0.5 -43,-0.1 2,-0.5 0.730 88.6 75.7 -64.9 -24.0 -29.6 2.8 4.4 66 66 A F E < -B 22 0A 5 -3,-1.3 2,-0.5 -4,-0.3 11,-0.4 -0.799 65.8-164.7-100.6 127.6 -25.9 3.7 4.2 67 67 A L E -B 21 0A 64 -46,-2.4 -46,-2.9 -2,-0.5 2,-0.5 -0.936 8.8-173.3-106.7 121.6 -23.8 3.1 1.2 68 68 A V E -BE 20 75A 0 7,-0.8 7,-3.2 -2,-0.5 2,-0.5 -0.978 2.9-167.3-121.2 124.8 -20.0 3.3 1.7 69 69 A Q E -BE 19 74A 51 -50,-2.2 -50,-2.1 -2,-0.5 2,-0.7 -0.944 9.7-169.9-113.1 121.6 -17.5 3.1 -1.2 70 70 A A E > S- E 0 73A 19 3,-3.1 3,-2.2 -2,-0.5 2,-0.4 -0.920 74.3 -52.8-105.5 104.3 -13.7 2.6 -0.8 71 71 A G T 3 S- 0 0 66 -2,-0.7 -52,-0.1 -54,-0.3 50,-0.0 -0.538 122.7 -23.0 59.8-120.3 -12.3 3.2 -4.2 72 72 A N T 3 S+ 0 0 177 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.302 121.6 97.1 -98.2 7.5 -14.3 0.9 -6.4 73 73 A V E < -E 70 0A 91 -3,-2.2 -3,-3.1 2,-0.0 2,-0.5 -0.843 69.0-134.1-106.9 130.1 -15.2 -1.4 -3.5 74 74 A Q E -E 69 0A 130 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.697 16.5-152.5 -79.4 123.3 -18.5 -1.4 -1.4 75 75 A L E -E 68 0A 3 -7,-3.2 -7,-0.8 -2,-0.5 2,-0.5 -0.848 17.3-129.8 -93.5 131.9 -17.9 -1.6 2.3 76 76 A R - 0 0 154 -2,-0.5 16,-2.1 -9,-0.1 2,-0.5 -0.709 13.4-133.5 -87.9 129.7 -20.9 -3.1 4.1 77 77 A V E +F 91 0A 9 -2,-0.5 14,-0.3 -11,-0.4 3,-0.1 -0.720 30.0 168.4 -84.0 120.2 -22.2 -1.2 7.1 78 78 A I E + 0 0 84 12,-1.8 2,-0.3 -2,-0.5 13,-0.2 0.215 67.5 13.7-113.6 8.5 -22.8 -3.5 10.2 79 79 A G E -F 90 0A 16 11,-1.1 11,-2.3 -16,-0.1 2,-0.3 -0.919 58.2-172.7-179.4 149.3 -23.4 -0.8 12.7 80 80 A H E +F 89 0A 59 9,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.983 8.3 164.9-155.9 144.9 -24.1 3.0 13.1 81 81 A S E -F 88 0A 57 7,-1.6 7,-2.8 -2,-0.3 2,-0.5 -0.966 31.3-117.1-151.4 163.9 -24.3 5.5 15.9 82 82 A M E -F 87 0A 63 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.896 20.8-175.1-106.4 134.5 -24.3 9.3 16.3 83 83 A Q E > -F 86 0A 53 3,-3.0 3,-2.1 -2,-0.5 2,-0.2 -0.889 62.7 -61.1-131.8 104.9 -21.6 11.1 18.1 84 84 A N T 3 S- 0 0 97 -2,-0.5 95,-0.2 1,-0.3 96,-0.2 -0.464 121.2 -14.5 58.5-119.0 -22.3 14.8 18.5 85 85 A C T 3 S+ 0 0 15 94,-1.8 -45,-2.6 -2,-0.2 -44,-0.4 0.262 126.8 78.4 -94.0 13.1 -22.5 16.1 14.8 86 86 A L E < -DF 39 83A 0 -3,-2.1 -3,-3.0 92,-0.3 2,-0.4 -0.821 68.0-136.5-114.8 157.7 -20.9 13.0 13.3 87 87 A L E -DF 38 82A 1 -49,-2.5 -49,-1.7 -2,-0.3 2,-0.5 -0.885 9.6-154.8-104.2 145.2 -21.9 9.5 12.4 88 88 A R E -DF 37 81A 76 -7,-2.8 -7,-1.6 -2,-0.4 2,-0.6 -0.970 13.1-168.3-118.2 107.1 -19.8 6.5 13.2 89 89 A L E -DF 36 80A 0 -53,-2.8 -53,-2.3 -2,-0.5 2,-0.3 -0.888 12.1-145.2-101.5 119.4 -20.6 3.7 10.8 90 90 A K E -DF 35 79A 73 -11,-2.3 -12,-1.8 -2,-0.6 -11,-1.1 -0.665 22.7-167.2 -80.3 135.0 -19.1 0.3 11.7 91 91 A V E - F 0 77A 1 -57,-2.5 -14,-0.2 -2,-0.3 -16,-0.0 -0.857 31.5-116.0-122.4 164.3 -18.1 -1.6 8.6 92 92 A D S S+ 0 0 85 -16,-2.1 2,-0.4 -2,-0.3 -15,-0.1 0.663 94.8 62.6 -71.6 -18.2 -17.1 -5.2 7.9 93 93 A T S S- 0 0 60 -17,-0.2 2,-0.4 -60,-0.1 -2,-0.2 -0.917 73.9-138.0-113.9 132.5 -13.6 -4.4 6.7 94 94 A S - 0 0 71 -2,-0.4 -60,-0.2 -60,-0.1 -2,-0.0 -0.737 38.8-105.9 -78.2 134.8 -10.7 -2.9 8.7 95 95 A N > - 0 0 9 -62,-2.6 3,-1.7 -2,-0.4 -62,-0.3 -0.494 24.9-156.9 -61.5 113.6 -8.9 -0.3 6.6 96 96 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -81,-0.0 0.741 92.6 56.4 -66.7 -16.6 -5.6 -2.0 5.7 97 97 A K T 3 S+ 0 0 145 -82,-0.3 -82,-0.1 -64,-0.1 -2,-0.1 0.220 73.7 140.1 -98.4 11.6 -4.1 1.5 5.2 98 98 A T < - 0 0 34 -3,-1.7 -66,-0.1 1,-0.1 2,-0.1 -0.397 38.8-153.9 -57.8 114.9 -5.0 2.8 8.7 99 99 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 57,-0.1 -0.364 33.1 -81.7 -81.0 169.2 -2.0 4.9 9.9 100 100 A K E S+g 156 0B 149 55,-0.5 57,-3.1 -2,-0.1 2,-0.3 -0.544 70.3 169.5 -60.8 133.7 -1.1 5.6 13.5 101 101 A Y E -g 157 0B 63 55,-0.3 2,-0.3 -2,-0.2 57,-0.2 -0.982 32.8-163.1-152.7 163.9 -3.4 8.3 14.5 102 102 A K E -g 158 0B 107 55,-2.5 57,-2.4 -2,-0.3 2,-0.5 -0.935 23.4-129.2-137.1 154.1 -4.9 10.5 17.2 103 103 A F E +g 159 0B 67 -2,-0.3 2,-0.3 55,-0.2 57,-0.2 -0.961 36.1 176.3-102.0 128.9 -8.0 12.7 17.4 104 104 A V - 0 0 57 55,-2.8 2,-0.7 -2,-0.5 73,-0.3 -0.953 30.7-136.7-132.7 148.3 -7.1 16.2 18.7 105 105 A R - 0 0 77 -2,-0.3 55,-0.1 71,-0.1 56,-0.1 -0.922 30.8-144.0-103.0 110.3 -9.1 19.4 19.2 106 106 A I - 0 0 5 -2,-0.7 3,-0.1 54,-0.5 6,-0.0 -0.297 9.9-124.0 -73.1 163.7 -6.9 22.2 17.9 107 107 A Q > - 0 0 113 1,-0.1 3,-2.1 4,-0.1 23,-0.3 -0.697 36.9 -83.0-103.9 153.8 -6.8 25.6 19.5 108 108 A P T 3 S+ 0 0 53 0, 0.0 23,-0.2 0, 0.0 -1,-0.1 -0.260 118.0 28.8 -51.8 140.7 -7.5 29.0 17.8 109 109 A G T 3 S+ 0 0 7 21,-3.6 2,-0.1 1,-0.3 22,-0.1 0.087 94.5 115.5 94.1 -24.2 -4.4 30.2 16.1 110 110 A Q < - 0 0 81 -3,-2.1 20,-2.8 21,-0.1 -1,-0.3 -0.396 56.7-135.4 -79.3 158.3 -3.0 26.8 15.4 111 111 A T E +H 129 0B 5 18,-0.2 2,-0.3 -3,-0.1 18,-0.2 -0.647 23.1 171.7-113.9 167.9 -2.6 25.5 11.9 112 112 A F E -H 128 0B 0 16,-2.4 16,-3.6 -2,-0.2 2,-0.4 -0.968 32.5-104.8-167.7 163.0 -3.3 22.3 10.0 113 113 A S E -HI 127 150B 0 37,-2.7 37,-2.3 -2,-0.3 2,-0.5 -0.783 28.4-151.2 -98.0 140.4 -3.4 20.8 6.5 114 114 A V E -HI 126 149B 0 12,-3.1 12,-1.7 -2,-0.4 2,-0.9 -0.952 4.8-154.1-114.0 132.2 -6.7 20.2 4.7 115 115 A L E -HI 125 148B 3 33,-2.3 33,-0.5 -2,-0.5 2,-0.2 -0.876 18.6-148.0-104.5 98.5 -7.2 17.5 2.2 116 116 A A E -H 124 0B 5 8,-1.9 7,-3.2 -2,-0.9 8,-1.5 -0.518 24.7-177.4 -67.2 130.1 -10.0 18.7 0.0 117 117 A C E -H 122 0B 0 27,-0.3 2,-0.3 5,-0.3 30,-0.2 -0.978 18.9-169.4-136.5 145.8 -12.0 15.7 -1.2 118 118 A Y E > S-H 121 0B 49 3,-1.9 3,-3.4 -2,-0.3 26,-0.1 -0.992 76.6 -6.7-135.8 139.5 -15.0 15.1 -3.5 119 119 A N T 3 S- 0 0 102 24,-0.5 -100,-0.2 -2,-0.3 -1,-0.1 0.831 130.3 -56.6 44.1 41.1 -16.9 11.8 -3.9 120 120 A G T 3 S+ 0 0 13 -102,-0.3 -1,-0.3 1,-0.2 -49,-0.2 0.489 116.4 112.9 74.1 2.5 -14.3 10.1 -1.7 121 121 A S E < -H 118 0B 73 -3,-3.4 -3,-1.9 -103,-0.1 -1,-0.2 -0.921 68.7-122.4-117.4 121.3 -11.4 11.1 -3.9 122 122 A P E +H 117 0B 47 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.292 31.0 172.7 -59.7 134.8 -8.8 13.6 -2.8 123 123 A S E - 0 0 83 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.641 56.4 -11.4-118.0 -22.2 -8.4 16.6 -5.0 124 124 A G E -H 116 0B 30 -8,-1.5 -8,-1.9 2,-0.0 2,-0.4 -0.991 49.0-137.8-171.1 163.0 -6.0 19.0 -3.3 125 125 A V E +H 115 0B 62 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.995 25.5 157.2-136.4 138.3 -4.1 20.0 -0.1 126 126 A Y E -H 114 0B 55 -12,-1.7 -12,-3.1 -2,-0.4 2,-0.3 -0.985 37.3-107.2-155.2 162.1 -3.4 23.3 1.6 127 127 A Q E -H 113 0B 18 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.711 34.7-178.2 -99.4 137.5 -2.6 24.7 5.0 128 128 A C E -H 112 0B 1 -16,-3.6 -16,-2.4 -2,-0.3 2,-0.4 -0.960 19.6-139.2-128.9 152.7 -5.1 26.6 7.1 129 129 A A E -H 111 0B 0 -2,-0.3 2,-0.7 -18,-0.2 8,-0.5 -0.907 24.5-121.8-103.7 143.3 -5.1 28.4 10.4 130 130 A M - 0 0 2 -20,-2.8 -21,-3.6 -2,-0.4 6,-0.2 -0.724 38.9-135.5 -69.2 111.7 -8.0 28.1 12.9 131 131 A R > - 0 0 9 4,-2.5 3,-2.2 -2,-0.7 -21,-0.1 -0.324 18.4-108.5 -69.2 156.7 -9.1 31.7 13.2 132 132 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.796 122.6 56.8 -48.8 -34.4 -9.8 33.3 16.6 133 133 A N T 3 S- 0 0 20 65,-0.2 62,-0.4 2,-0.1 3,-0.1 0.228 119.7-112.0 -90.3 15.7 -13.5 33.3 15.5 134 134 A H S < S+ 0 0 64 -3,-2.2 40,-0.4 1,-0.2 2,-0.3 0.655 81.0 109.0 71.3 18.6 -13.4 29.5 14.9 135 135 A T - 0 0 3 38,-0.1 -4,-2.5 -6,-0.0 2,-0.3 -0.790 56.8-138.6-112.4 166.1 -13.7 29.5 11.2 136 136 A I B -J 172 0B 0 36,-2.0 36,-2.9 -2,-0.3 2,-1.3 -0.925 16.2-127.4-120.6 152.4 -11.1 28.7 8.5 137 137 A K + 0 0 131 -8,-0.5 34,-0.1 -2,-0.3 -8,-0.1 -0.687 55.8 158.4 -93.2 78.8 -10.4 30.4 5.2 138 138 A G - 0 0 21 -2,-1.3 2,-0.4 32,-0.1 -11,-0.0 -0.066 47.5-121.3 -91.5-169.9 -10.7 27.3 3.2 139 139 A S + 0 0 82 -13,-0.1 2,-0.3 2,-0.0 32,-0.1 -0.888 48.3 150.0-135.7 107.4 -11.4 26.4 -0.4 140 140 A F - 0 0 11 -2,-0.4 2,-0.2 -24,-0.1 3,-0.1 -0.999 23.2-171.3-143.2 137.6 -14.4 24.2 -0.7 141 141 A L > - 0 0 129 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 -0.668 51.3 -60.1-112.5 177.0 -17.2 23.4 -3.2 142 142 A N T 3 S+ 0 0 161 1,-0.2 -1,-0.2 -2,-0.2 -115,-0.0 -0.298 125.3 34.0 -51.1 139.1 -20.4 21.4 -2.9 143 143 A G T 3 S+ 0 0 29 -25,-0.1 -24,-0.5 -117,-0.1 -1,-0.2 0.387 87.5 105.6 91.4 -3.2 -19.5 17.7 -2.1 144 144 A S X + 0 0 3 -3,-1.6 3,-2.0 -26,-0.1 -27,-0.3 0.529 44.4 120.4 -86.8 -10.5 -16.5 18.7 0.0 145 145 A C T 3 S+ 0 0 23 1,-0.3 -117,-2.8 -4,-0.2 19,-0.2 -0.279 70.1 33.5 -57.6 141.0 -18.2 17.9 3.3 146 146 A G T 3 S+ 0 0 0 17,-2.7 -1,-0.3 1,-0.4 18,-0.1 0.268 82.0 137.3 88.6 -12.7 -16.4 15.2 5.3 147 147 A S < - 0 0 0 -3,-2.0 16,-3.2 -30,-0.2 -1,-0.4 -0.457 46.8-137.7 -57.1 141.6 -13.0 16.4 4.0 148 148 A V E -IK 115 162B 0 -33,-0.5 -33,-2.3 14,-0.2 2,-0.3 -0.733 13.4-141.6-117.0 159.4 -10.6 16.5 7.0 149 149 A G E +IK 114 161B 0 12,-2.5 11,-2.3 -2,-0.3 12,-1.3 -0.839 32.6 159.0-112.4 148.2 -7.9 18.6 8.6 150 150 A F E -IK 113 159B 0 -37,-2.3 -37,-2.7 -2,-0.3 2,-0.3 -0.995 31.6-144.0-161.7 161.3 -4.8 17.1 10.2 151 151 A N E - K 0 158B 33 7,-2.1 7,-3.1 -2,-0.3 2,-0.5 -0.881 20.0-138.8-124.7 160.8 -1.2 17.4 11.4 152 152 A I E - K 0 157B 24 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.986 15.6-177.4-124.5 119.6 1.5 14.8 11.3 153 153 A D E > S- K 0 156B 53 3,-2.2 3,-2.4 -2,-0.5 2,-0.5 -0.981 73.2 -40.5-113.7 118.2 4.0 14.3 14.1 154 154 A Y T 3 S- 0 0 213 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.539 124.0 -33.3 60.7-114.7 6.5 11.6 13.3 155 155 A D T 3 S+ 0 0 110 -2,-0.5 -55,-0.5 2,-0.0 2,-0.5 0.163 116.1 108.3-115.5 16.8 4.4 9.0 11.5 156 156 A C E < -gK 100 153B 1 -3,-2.4 -3,-2.2 -57,-0.1 2,-0.7 -0.811 61.3-143.0 -96.0 126.8 1.2 9.7 13.6 157 157 A V E -gK 101 152B 0 -57,-3.1 -55,-2.5 -2,-0.5 2,-0.9 -0.797 8.2-161.0 -90.5 119.6 -1.7 11.5 12.0 158 158 A S E -gK 102 151B 13 -7,-3.1 -7,-2.1 -2,-0.7 2,-0.3 -0.848 10.4-157.2 -99.3 101.4 -3.4 13.9 14.4 159 159 A F E +gK 103 150B 0 -57,-2.4 -55,-2.8 -2,-0.9 18,-0.3 -0.610 24.7 160.3 -75.5 133.4 -6.9 14.6 12.9 160 160 A C E + 0 0 1 -11,-2.3 -54,-0.5 -2,-0.3 2,-0.3 0.572 51.9 38.2-131.1 -12.2 -8.4 17.8 14.1 161 161 A Y E - K 0 149B 2 -12,-1.3 -12,-2.5 15,-0.1 2,-0.4 -0.996 44.9-170.2-147.5 142.1 -11.1 19.0 11.7 162 162 A M E -LK 175 148B 0 13,-2.1 13,-1.9 -2,-0.3 2,-0.3 -0.993 34.6-119.4-129.7 130.9 -14.0 17.6 9.6 163 163 A H E +L 174 0B 5 -16,-3.2 -17,-2.7 -2,-0.4 11,-0.2 -0.548 43.2 154.2 -79.4 130.9 -15.6 20.0 7.1 164 164 A H E - 0 0 4 9,-1.7 2,-0.3 -2,-0.3 10,-0.2 0.689 53.9 -4.5-120.8 -37.8 -19.4 20.6 7.6 165 165 A M E -L 173 0B 32 8,-2.6 8,-3.0 -21,-0.1 2,-0.4 -0.999 45.0-123.5-163.4 164.6 -20.3 24.0 6.1 166 166 A E E -L 172 0B 112 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.925 27.3-144.7-113.3 139.2 -19.8 27.4 4.5 167 167 A L > - 0 0 9 4,-3.0 3,-2.4 -2,-0.4 4,-0.1 -0.490 34.7 -95.4 -99.1 168.4 -20.9 30.7 6.1 168 168 A P T 3 S+ 0 0 114 0, 0.0 25,-0.1 0, 0.0 -1,-0.0 0.806 121.6 59.0 -63.1 -29.2 -22.2 33.7 4.2 169 169 A T T 3 S- 0 0 104 1,-0.1 3,-0.1 2,-0.1 24,-0.0 0.410 120.0-106.1 -74.6 2.0 -18.8 35.4 4.1 170 170 A G S < S+ 0 0 36 -3,-2.4 2,-0.2 1,-0.3 -32,-0.1 0.644 81.8 123.3 82.1 13.6 -17.3 32.4 2.3 171 171 A V - 0 0 21 -34,-0.1 -4,-3.0 -4,-0.1 -1,-0.3 -0.608 55.5-114.4-104.3 171.2 -15.4 31.1 5.2 172 172 A H E -JL 136 166B 4 -36,-2.9 -36,-2.0 -6,-0.2 2,-0.3 -0.765 20.8-167.7-122.4 147.4 -15.8 27.6 6.6 173 173 A A E + L 0 165B 0 -8,-3.0 -8,-2.6 -2,-0.3 -9,-1.7 -0.978 21.4 133.9-132.0 148.1 -17.0 25.8 9.7 174 174 A G E - L 0 163B 0 -40,-0.4 8,-2.5 -2,-0.3 2,-0.2 -0.865 37.5 -89.8-165.7-160.2 -16.7 22.2 11.0 175 175 A T E -ML 181 162B 0 -13,-1.9 -13,-2.1 6,-0.3 6,-0.3 -0.730 27.6-108.2-125.1 164.5 -16.0 19.9 13.9 176 176 A D > - 0 0 6 4,-2.4 3,-1.2 -2,-0.2 -1,-0.1 -0.140 56.8 -89.0 -73.7-172.0 -13.2 17.9 15.6 177 177 A L T 3 S+ 0 0 1 -18,-0.3 -16,-0.1 -73,-0.3 -72,-0.1 0.355 128.1 66.2 -93.7 9.6 -13.4 14.1 15.1 178 178 A E T 3 S- 0 0 104 2,-0.2 -92,-0.3 -74,-0.1 -1,-0.3 0.391 118.3-112.3 -91.3 -6.2 -15.6 13.8 18.2 179 179 A G S < S+ 0 0 0 -3,-1.2 -94,-1.8 1,-0.3 2,-0.5 0.532 72.8 138.4 87.0 6.9 -18.2 15.8 16.2 180 180 A K - 0 0 112 -96,-0.2 -4,-2.4 -95,-0.1 -1,-0.3 -0.768 53.1-121.3 -87.6 122.6 -18.0 18.9 18.4 181 181 A F B -M 175 0B 16 -2,-0.5 2,-0.5 -6,-0.3 -6,-0.3 -0.251 10.3-125.8 -58.4 146.1 -18.1 22.1 16.4 182 182 A Y S S+ 0 0 5 -8,-2.5 3,-0.4 -48,-0.2 -8,-0.2 -0.833 84.8 3.5 -81.1 130.4 -15.4 24.7 16.5 183 183 A G S S- 0 0 22 -2,-0.5 -49,-0.1 1,-0.2 -2,-0.1 -0.094 111.6 -56.6 80.6 178.3 -17.2 27.9 17.4 184 184 A P S S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.116 92.2 130.1 -79.7 21.5 -20.9 28.5 18.3 185 185 A F - 0 0 11 -3,-0.4 2,-0.3 -11,-0.1 -4,-0.2 -0.387 41.5-157.0 -85.1 158.3 -22.1 27.0 14.9 186 186 A V - 0 0 61 2,-0.2 2,-2.2 -2,-0.1 4,-0.2 -0.967 28.3-112.0-133.4 147.9 -24.7 24.3 14.4 187 187 A D S S+ 0 0 9 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 -0.417 86.0 86.5 -81.4 64.1 -25.3 21.8 11.5 188 188 A R S S- 0 0 96 -2,-2.2 2,-1.7 -137,-0.1 -2,-0.2 -0.964 88.9-101.6-153.2 157.4 -28.5 23.3 10.2 189 189 A Q + 0 0 132 -140,-2.9 -139,-0.1 -2,-0.3 -2,-0.1 -0.215 67.6 136.6 -85.7 54.0 -29.3 26.1 7.8 190 190 A T S S- 0 0 56 -2,-1.7 2,-0.2 -4,-0.2 -139,-0.0 0.027 71.6 -85.0 -73.6-170.9 -30.1 29.0 10.2 191 191 A A + 0 0 107 2,-0.0 2,-0.1 -23,-0.0 -2,-0.1 -0.189 69.8 152.2 -98.6 43.4 -28.9 32.6 10.0 192 192 A Q - 0 0 31 -2,-0.2 2,-0.3 -6,-0.1 -7,-0.0 -0.382 21.6-170.9 -75.2 147.6 -25.5 32.1 11.7 193 193 A A - 0 0 69 -26,-0.1 2,-0.1 -2,-0.1 -2,-0.0 -0.980 30.9 -97.9-138.0 148.8 -22.6 34.4 10.9 194 194 A A - 0 0 26 -2,-0.3 3,-0.1 1,-0.1 -60,-0.1 -0.426 43.0-123.7 -59.4 137.8 -18.9 34.3 11.8 195 195 A G - 0 0 47 -62,-0.4 -62,-0.1 1,-0.2 -1,-0.1 -0.267 48.7 -65.5 -70.3 174.2 -18.2 36.7 14.7 196 196 A T - 0 0 127 1,-0.1 2,-0.2 -64,-0.1 -1,-0.2 -0.365 58.1-139.3 -62.8 139.4 -15.6 39.4 14.3 197 197 A D - 0 0 33 -3,-0.1 2,-0.3 -65,-0.1 -1,-0.1 -0.516 10.5-151.2 -96.6 171.0 -12.1 38.0 13.7 198 198 A T - 0 0 35 -2,-0.2 2,-0.3 42,-0.0 41,-0.2 -0.937 27.1-100.3-136.5 155.5 -8.7 39.2 15.1 199 199 A T B -n 239 0C 35 39,-2.8 41,-2.2 -2,-0.3 2,-1.4 -0.606 38.8-117.6 -77.0 138.8 -5.2 39.1 13.8 200 200 A I >> - 0 0 4 -2,-0.3 4,-1.9 1,-0.2 3,-0.7 -0.637 31.9-172.0 -80.7 95.6 -3.2 36.2 15.4 201 201 A T H 3> S+ 0 0 0 -2,-1.4 4,-2.2 1,-0.3 5,-0.2 0.889 78.7 55.6 -59.2 -49.3 -0.5 38.3 17.1 202 202 A L H 3> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.861 110.6 47.0 -49.4 -40.5 1.7 35.3 18.2 203 203 A N H <> S+ 0 0 3 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.886 106.9 54.6 -73.8 -45.0 2.0 34.1 14.6 204 204 A V H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.920 112.3 46.5 -50.9 -46.5 2.8 37.5 13.1 205 205 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 109.7 52.3 -65.4 -42.6 5.7 37.6 15.6 206 206 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.925 110.1 50.6 -56.2 -43.9 6.8 34.0 14.8 207 207 A W H X S+ 0 0 6 -4,-2.9 4,-1.9 84,-0.3 -1,-0.2 0.803 105.3 54.6 -67.8 -32.7 6.8 35.1 11.1 208 208 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.912 108.0 50.6 -66.3 -40.8 8.9 38.1 11.9 209 209 A Y H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.928 107.7 53.8 -56.6 -43.8 11.4 35.7 13.6 210 210 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.871 105.6 52.8 -55.2 -44.6 11.3 33.6 10.3 211 211 A A H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-0.3 0.909 112.1 45.8 -58.9 -43.8 12.2 36.7 8.3 212 212 A V H ><5S+ 0 0 4 -4,-1.9 3,-2.1 3,-0.2 93,-0.3 0.954 110.1 51.9 -63.8 -49.4 15.2 37.3 10.6 213 213 A I H 3<5S+ 0 0 2 -4,-3.0 92,-3.0 1,-0.3 -1,-0.2 0.890 108.3 54.6 -54.9 -38.9 16.3 33.6 10.5 214 214 A N T 3<5S- 0 0 27 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.503 130.7 -94.3 -77.4 -6.0 16.1 33.9 6.7 215 215 A G T < 5S+ 0 0 34 -3,-2.1 2,-0.5 -4,-0.3 -3,-0.2 0.297 84.4 120.4 120.0 -4.9 18.5 36.9 6.7 216 216 A D < + 0 0 56 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.802 16.3 155.2-101.6 127.8 16.2 40.0 6.8 217 217 A R > + 0 0 146 -2,-0.5 3,-1.5 1,-0.1 -1,-0.1 0.194 35.4 116.4-127.9 12.3 16.4 42.7 9.6 218 218 A W T 3 S+ 0 0 59 1,-0.3 -1,-0.1 -6,-0.0 63,-0.0 0.777 74.1 54.5 -61.4 -29.0 15.1 45.9 8.0 219 219 A F T 3 S+ 0 0 0 -11,-0.1 -1,-0.3 2,-0.0 52,-0.1 0.495 84.8 104.5 -87.0 -8.1 11.9 46.2 10.2 220 220 A L < - 0 0 33 -3,-1.5 2,-0.2 50,-0.1 44,-0.1 -0.219 50.5-168.7 -69.1 165.5 13.8 46.1 13.5 221 221 A N - 0 0 43 2,-0.2 46,-0.1 42,-0.2 45,-0.1 -0.881 37.1-102.1-146.6 176.2 14.3 49.3 15.6 222 222 A R S S+ 0 0 214 -2,-0.2 2,-0.2 44,-0.1 -2,-0.0 0.361 87.7 99.4 -83.7 4.2 16.3 50.5 18.7 223 223 A F - 0 0 99 40,-0.1 2,-0.3 41,-0.0 -2,-0.2 -0.466 50.6-164.0 -99.2 161.7 13.3 50.3 20.9 224 224 A T - 0 0 91 -2,-0.2 2,-0.3 42,-0.1 39,-0.2 -0.812 11.0-160.8-123.8 172.2 11.7 48.0 23.5 225 225 A T - 0 0 10 -2,-0.3 2,-0.3 37,-0.1 41,-0.1 -0.959 19.9-113.4-144.0 164.6 8.1 48.0 24.8 226 226 A T > - 0 0 70 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.700 33.8-113.0 -92.8 157.9 6.3 46.6 27.8 227 227 A L H > S+ 0 0 50 -2,-0.3 4,-2.2 1,-0.2 15,-0.3 0.906 118.5 48.7 -52.1 -42.2 3.7 43.9 27.4 228 228 A N H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 108.8 48.0 -71.0 -48.4 1.1 46.4 28.4 229 229 A D H > S+ 0 0 83 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.859 112.7 53.0 -60.5 -34.1 2.1 49.3 26.1 230 230 A F H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.7 0.952 106.1 51.8 -62.3 -48.2 2.2 46.8 23.3 231 231 A N H 3X S+ 0 0 26 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.791 101.5 60.3 -62.5 -30.3 -1.3 45.6 24.1 232 232 A L H 3X S+ 0 0 111 -4,-1.8 4,-1.0 2,-0.2 -1,-0.3 0.908 111.4 41.2 -61.2 -38.3 -2.7 49.2 24.0 233 233 A V H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-0.6 0.857 104.6 50.3 -46.4 -48.2 -2.7 45.8 19.6 235 235 A M H ><5S+ 0 0 151 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.874 106.0 56.2 -63.2 -38.6 -6.3 46.6 20.5 236 236 A K H 3<5S+ 0 0 155 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.734 112.9 41.0 -67.0 -24.1 -6.2 49.6 18.3 237 237 A Y T <<5S- 0 0 78 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.218 116.5-106.4-111.4 15.6 -5.2 47.5 15.3 238 238 A N T < 5S+ 0 0 86 -3,-1.2 -39,-2.8 1,-0.2 2,-0.3 0.844 71.8 143.1 61.3 37.3 -7.5 44.5 15.9 239 239 A Y B < -n 199 0C 19 -5,-2.9 -1,-0.2 -41,-0.2 -39,-0.2 -0.798 57.2-101.7 -99.3 148.7 -4.6 42.2 17.0 240 240 A E - 0 0 50 -41,-2.2 -6,-0.0 -2,-0.3 -1,-0.0 -0.402 46.3 -96.5 -65.0 145.5 -5.0 39.7 19.8 241 241 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.360 38.2-122.4 -59.7 141.3 -3.5 40.7 23.2 242 242 A L - 0 0 2 -15,-0.3 2,-0.2 -41,-0.1 -11,-0.1 -0.738 31.2-162.7 -83.2 135.2 -0.0 39.4 23.7 243 243 A T > - 0 0 56 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.691 33.5-110.5-114.1 167.8 0.3 37.3 26.9 244 244 A Q H > S+ 0 0 103 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.908 120.1 58.8 -64.2 -36.5 3.3 36.1 28.9 245 245 A D H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.885 105.2 49.4 -55.9 -41.1 2.6 32.6 27.7 246 246 A H H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 109.7 51.4 -64.2 -45.6 3.0 33.9 24.1 247 247 A V H < S+ 0 0 21 -4,-1.9 4,-0.2 2,-0.2 -2,-0.2 0.910 112.1 46.4 -54.5 -48.0 6.3 35.6 25.1 248 248 A D H >< S+ 0 0 97 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.921 108.0 55.8 -64.6 -43.8 7.6 32.2 26.6 249 249 A I H 3< S+ 0 0 91 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.895 104.4 55.1 -53.6 -38.2 6.5 30.2 23.6 250 250 A L T 3X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.519 80.3 103.2 -76.6 -4.4 8.6 32.6 21.5 251 251 A G H <> S+ 0 0 29 -3,-2.0 4,-2.7 -4,-0.2 -1,-0.2 0.898 77.6 46.7 -39.7 -64.5 11.7 31.8 23.6 252 252 A P H > S+ 0 0 90 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.862 114.7 46.7 -57.0 -41.4 13.5 29.4 21.2 253 253 A L H > S+ 0 0 3 -4,-0.3 4,-1.6 2,-0.2 6,-0.3 0.893 111.8 52.0 -64.4 -43.4 13.1 31.7 18.2 254 254 A S H X>S+ 0 0 22 -4,-2.6 4,-2.0 2,-0.2 5,-0.9 0.929 112.0 47.5 -51.4 -47.4 14.3 34.7 20.3 255 255 A A H <5S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.921 109.7 51.1 -67.2 -45.0 17.3 32.6 21.3 256 256 A Q H <5S+ 0 0 59 -4,-2.6 48,-0.3 1,-0.2 -1,-0.2 0.787 122.2 31.9 -64.6 -27.6 18.1 31.5 17.7 257 257 A T H <5S- 0 0 16 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.629 99.2-126.2-104.9 -15.4 18.0 35.1 16.5 258 258 A G T <5 + 0 0 69 -4,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.659 68.1 128.2 73.6 17.4 19.2 37.1 19.5 259 259 A I < - 0 0 12 -5,-0.9 -1,-0.2 -6,-0.3 -2,-0.2 -0.924 58.3-131.8-110.6 114.8 16.1 39.3 19.4 260 260 A A >> - 0 0 48 -2,-0.6 4,-2.6 1,-0.1 3,-0.7 -0.346 21.9-119.3 -60.6 141.7 14.2 39.6 22.7 261 261 A V H 3> S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.894 113.4 49.4 -50.1 -49.4 10.5 39.1 22.3 262 262 A L H 3> S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.769 108.9 53.8 -69.6 -26.3 9.5 42.6 23.5 263 263 A D H <> S+ 0 0 65 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.908 109.2 47.5 -67.7 -47.2 12.1 44.1 21.2 264 264 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.879 109.3 56.4 -57.6 -36.0 10.4 42.2 18.3 265 265 A C H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 -2,-0.2 0.893 105.1 49.9 -60.4 -40.8 7.1 43.6 19.8 266 266 A A H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.908 109.2 51.9 -64.3 -43.4 8.4 47.1 19.5 267 267 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.957 111.9 46.6 -55.9 -50.0 9.4 46.4 15.9 268 268 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 108.8 54.7 -57.4 -47.7 5.8 45.1 15.3 269 269 A K H X S+ 0 0 37 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.920 109.7 48.7 -50.5 -46.2 4.3 48.2 17.0 270 270 A E H X S+ 0 0 63 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.897 109.3 51.4 -63.1 -42.3 6.3 50.3 14.6 271 271 A L H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.878 111.4 47.8 -63.2 -40.1 5.1 48.4 11.5 272 272 A L H < S+ 0 0 23 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.916 117.6 41.7 -64.0 -44.5 1.5 48.7 12.6 273 273 A Q H < S+ 0 0 99 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.903 130.3 23.9 -71.6 -42.0 1.9 52.5 13.2 274 274 A N H < S- 0 0 106 -4,-3.1 3,-0.3 1,-0.2 -3,-0.2 0.581 96.8-134.1-102.1 -17.7 4.0 53.3 10.1 275 275 A G < - 0 0 36 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.327 39.4 -70.8 83.0-172.5 3.3 50.6 7.5 276 276 A M > - 0 0 20 9,-0.2 3,-1.2 3,-0.1 -1,-0.2 0.425 55.0-128.9-100.2 0.6 6.0 48.7 5.5 277 277 A N T 3 S- 0 0 142 -3,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.822 71.0 -53.7 52.0 39.4 6.9 51.7 3.3 278 278 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.2 7,-0.1 2,-0.2 0.656 111.4 122.5 74.4 16.6 6.5 49.7 0.1 279 279 A R < - 0 0 130 -3,-1.2 -1,-0.3 6,-0.1 2,-0.3 -0.603 53.1-130.2-103.2 167.7 8.8 47.0 1.2 280 280 A T - 0 0 65 -2,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.765 3.1-149.0-113.8 162.4 8.2 43.2 1.6 281 281 A I B > S-O 284 0D 0 3,-2.2 3,-2.1 -2,-0.3 5,-0.2 -0.981 89.5 -17.5-130.2 122.5 8.8 40.7 4.4 282 282 A L T 3 S- 0 0 46 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.928 132.3 -52.1 41.4 49.8 9.5 37.2 3.2 283 283 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.506 115.8 120.7 73.1 5.5 8.0 38.4 -0.1 284 284 A S B < -O 281 0D 26 -3,-2.1 -3,-2.2 1,-0.1 -1,-0.2 -0.858 51.7-162.0-112.6 134.5 4.9 39.7 1.5 285 285 A T S S+ 0 0 101 -2,-0.4 2,-0.2 -5,-0.2 -9,-0.2 0.524 81.3 53.8 -85.0 -7.1 3.6 43.3 1.5 286 286 A I S S- 0 0 102 -5,-0.2 2,-0.8 -11,-0.1 -5,-0.2 -0.767 97.9 -93.2-122.3 167.8 1.3 42.4 4.5 287 287 A L - 0 0 32 -2,-0.2 2,-0.3 -16,-0.0 -83,-0.1 -0.747 43.4-141.1 -87.4 110.2 1.8 41.0 8.0 288 288 A E + 0 0 32 -2,-0.8 -81,-0.3 -84,-0.2 3,-0.2 -0.581 24.0 177.6 -77.5 129.7 1.2 37.3 7.7 289 289 A D + 0 0 16 -2,-0.3 -86,-0.2 1,-0.1 -85,-0.2 0.206 59.1 83.3-117.9 19.9 -0.7 35.6 10.6 290 290 A E + 0 0 16 -87,-0.1 2,-0.5 -86,-0.1 -1,-0.1 0.185 69.3 85.6-114.8 20.4 -1.1 32.0 9.6 291 291 A F - 0 0 15 -3,-0.2 -84,-0.3 -286,-0.1 -85,-0.2 -0.973 64.7-151.1-114.3 121.2 2.4 30.5 10.6 292 292 A T > - 0 0 17 -2,-0.5 4,-2.1 -86,-0.1 5,-0.1 -0.248 32.9-104.5 -74.4 169.7 2.7 29.4 14.2 293 293 A P H > S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.874 127.0 53.1 -60.5 -35.7 6.1 29.4 16.1 294 294 A F H > S+ 0 0 144 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.826 106.1 53.8 -66.0 -35.0 6.2 25.6 15.5 295 295 A D H > S+ 0 0 6 2,-0.2 4,-1.4 1,-0.2 5,-0.3 0.922 108.9 48.2 -65.2 -42.9 5.6 26.2 11.7 296 296 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 3,-0.4 0.933 112.9 47.1 -64.4 -44.8 8.5 28.5 11.6 297 297 A V H < S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.9 52.0 -65.3 -34.4 10.8 26.0 13.5 298 298 A R H < S+ 0 0 83 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.753 121.8 29.7 -72.9 -25.9 9.6 23.1 11.2 299 299 A Q H < S+ 0 0 44 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.817 105.3 77.2-103.7 -41.2 10.4 25.0 8.0 300 300 A C S < S- 0 0 17 -4,-3.1 4,-0.1 -5,-0.3 -297,-0.1 -0.328 86.3 -99.6 -73.0 152.7 13.3 27.4 8.8 301 301 A S - 0 0 69 2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.370 24.2-129.0 -58.3 144.8 17.0 26.4 9.1 302 302 A G S S+ 0 0 60 2,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.439 95.0 76.4 -74.7 -1.8 18.2 26.0 12.7 303 303 A V S S- 0 0 112 -90,-0.0 -2,-0.2 -46,-0.0 2,-0.2 -0.967 83.8-131.8-116.9 121.1 21.0 28.4 11.7 304 304 A T - 0 0 20 -2,-0.5 2,-1.7 -48,-0.3 -90,-0.2 -0.448 16.0-125.7 -69.5 133.8 20.3 32.1 11.3 305 305 A F 0 0 151 -92,-3.0 -1,-0.1 -93,-0.3 -2,-0.0 -0.650 360.0 360.0 -80.2 84.1 21.5 33.9 8.2 306 306 A Q 0 0 221 -2,-1.7 -1,-0.2 -92,-0.0 -92,-0.0 0.705 360.0 360.0 -70.6 360.0 23.4 36.5 10.2