==== 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 OXIDOREDUCTASE 10-JUL-03 1PZE . COMPND 2 MOLECULE: LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR K.L.KAVANAGH,R.A.ELLING,D.K.WILSON . 323 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 1 0 0 0 0 0 1 1 0 1 2 0 0 1 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 2 3 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 14 A P 0 0 192 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 179.0 -30.6 7.1 111.7 2 15 A A - 0 0 89 1,-0.1 2,-0.6 2,-0.0 0, 0.0 -0.377 360.0-107.0 -75.4 150.1 -28.5 9.9 110.1 3 16 A L + 0 0 136 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.669 38.5 174.2 -77.5 115.8 -24.8 9.4 109.1 4 17 A V S S+ 0 0 128 -2,-0.6 2,-0.6 1,-0.3 -1,-0.2 0.878 71.1 36.6 -90.6 -46.1 -22.8 11.3 111.7 5 18 A Q S S- 0 0 163 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.927 74.0-173.9-109.9 114.8 -19.3 10.4 110.6 6 19 A R - 0 0 128 -2,-0.6 2,-0.1 -3,-0.2 3,-0.1 -0.755 29.7-105.0-104.5 156.3 -18.8 10.1 106.8 7 20 A R - 0 0 109 -2,-0.3 25,-0.1 1,-0.1 -1,-0.1 -0.412 39.5-102.1 -73.0 154.3 -15.7 8.8 105.2 8 21 A K - 0 0 76 23,-0.4 25,-3.2 -2,-0.1 2,-0.4 -0.349 37.1-142.7 -68.5 161.5 -13.4 11.3 103.5 9 22 A K E -a 33 0A 37 23,-0.2 69,-2.0 67,-0.2 70,-1.3 -0.991 14.1-168.8-132.6 128.2 -13.7 11.4 99.7 10 23 A V E -ab 34 79A 1 23,-2.8 25,-1.8 -2,-0.4 2,-0.6 -0.971 9.1-153.6-120.0 126.1 -10.9 11.8 97.2 11 24 A A E -ab 35 80A 0 68,-2.6 70,-2.6 -2,-0.5 2,-0.8 -0.859 1.7-156.7-100.3 121.8 -11.6 12.5 93.6 12 25 A M E -ab 36 81A 0 23,-3.0 25,-2.7 -2,-0.6 2,-1.3 -0.872 5.7-162.6 -95.8 103.6 -8.9 11.4 91.1 13 26 A I E S+ab 37 82A 0 68,-1.7 70,-2.5 -2,-0.8 71,-1.4 -0.765 76.5 35.8 -88.0 95.7 -9.5 13.6 88.0 14 27 A G - 0 0 3 23,-2.0 24,-0.2 -2,-1.3 23,-0.2 0.081 66.7-160.3 123.4 122.2 -7.5 11.4 85.6 15 28 A S + 0 0 1 4,-0.1 32,-0.1 21,-0.1 23,-0.1 -0.131 49.8 116.1-125.3 36.5 -7.4 7.6 85.9 16 29 A G S > S- 0 0 34 4,-0.0 4,-2.2 3,-0.0 5,-0.3 0.136 92.7 -53.4 -82.6-153.9 -4.2 6.7 84.0 17 30 A M H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.904 139.5 42.8 -57.1 -45.6 -1.3 5.1 85.8 18 31 A I H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 113.6 50.9 -68.2 -43.4 -1.0 7.7 88.6 19 32 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 113.2 44.6 -58.7 -46.4 -4.7 8.1 89.3 20 33 A G H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.871 112.8 51.6 -67.3 -36.9 -5.3 4.4 89.6 21 35 A T H X S+ 0 0 15 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.882 108.8 50.8 -67.2 -37.5 -2.2 3.9 91.8 22 36 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.921 108.6 52.5 -67.0 -36.7 -3.4 6.7 94.1 23 37 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.902 106.2 54.8 -64.5 -36.8 -6.8 4.9 94.3 24 38 A Y H X S+ 0 0 107 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.946 105.2 51.3 -60.1 -48.6 -4.9 1.8 95.3 25 39 A L H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 6,-0.3 0.913 109.7 51.5 -56.0 -41.2 -3.2 3.6 98.2 26 40 A C H X>S+ 0 0 1 -4,-2.0 5,-1.7 1,-0.2 4,-0.8 0.917 113.2 43.4 -62.6 -41.7 -6.6 4.8 99.4 27 41 A A H <5S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.913 113.6 51.1 -70.0 -43.3 -8.1 1.3 99.3 28 42 A L H <5S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 120.6 33.4 -60.2 -39.3 -5.0 -0.3 100.9 29 43 A R H <5S- 0 0 137 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.391 102.3-124.8 -99.5 0.7 -5.0 2.2 103.8 30 44 A E T <5 + 0 0 104 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.889 60.9 148.9 54.8 36.5 -8.7 2.7 104.1 31 45 A L < - 0 0 28 -5,-1.7 -23,-0.4 -6,-0.3 2,-0.3 0.865 58.9 -34.3 -69.4 -39.3 -7.9 6.4 103.7 32 46 A A - 0 0 2 -6,-0.5 -23,-0.2 -25,-0.1 -1,-0.2 -0.985 67.0 -78.5-173.5 162.7 -11.1 7.5 101.9 33 47 A D E -a 9 0A 39 -25,-3.2 -23,-2.8 -2,-0.3 2,-0.4 -0.495 53.9-144.5 -69.0 150.6 -13.8 6.7 99.4 34 49 A V E -ac 10 64A 1 29,-2.8 31,-2.3 -25,-0.2 2,-0.5 -0.951 19.0-166.3-126.0 138.0 -12.4 7.1 95.9 35 50 A V E -ac 11 65A 11 -25,-1.8 -23,-3.0 -2,-0.4 2,-0.6 -0.994 11.1-155.7-120.5 129.3 -13.9 8.2 92.7 36 51 A L E -ac 12 66A 0 29,-2.9 31,-2.4 -2,-0.5 2,-0.3 -0.930 19.6-178.7-104.3 116.7 -11.9 7.5 89.5 37 52 A Y E +ac 13 67A 15 -25,-2.7 -23,-2.0 -2,-0.6 2,-0.3 -0.861 10.9 148.9-115.0 151.3 -12.8 10.0 86.8 38 53 A D - 0 0 31 29,-0.7 -2,-0.0 -2,-0.3 -25,-0.0 -0.967 49.0-124.8-169.6 162.1 -11.5 10.3 83.2 39 54 A V S S+ 0 0 98 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.823 94.3 80.3 -84.1 -28.2 -12.7 11.3 79.8 40 55 A V S S- 0 0 88 -3,-0.1 3,-0.2 1,-0.0 -1,-0.1 -0.665 82.1-137.8 -80.7 111.3 -11.8 7.9 78.3 41 56 A K S S+ 0 0 169 -2,-0.7 2,-0.5 1,-0.2 -2,-0.1 -0.366 76.7 33.6 -68.6 142.5 -14.6 5.5 79.1 42 57 A G S > S+ 0 0 34 -2,-0.1 4,-2.1 1,-0.1 3,-0.3 -0.570 98.1 68.5 117.6 -72.6 -13.5 2.0 80.2 43 58 A M H > S+ 0 0 107 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 0.911 98.8 53.5 -51.4 -51.6 -10.3 2.2 82.1 44 59 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.885 111.0 46.7 -52.8 -42.9 -11.9 4.0 85.2 45 60 A E H > S+ 0 0 98 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.884 113.7 46.5 -71.1 -36.6 -14.6 1.3 85.5 46 61 A G H X S+ 0 0 43 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.924 115.5 46.3 -70.5 -41.6 -12.2 -1.6 85.2 47 62 A K H X S+ 0 0 37 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.896 110.0 54.4 -66.8 -38.3 -9.7 -0.1 87.7 48 63 A A H X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.862 110.4 46.3 -65.1 -36.5 -12.6 0.8 90.1 49 64 A L H X S+ 0 0 101 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.943 112.6 49.0 -69.0 -47.6 -13.8 -2.8 90.2 50 65 A D H X S+ 0 0 104 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.927 113.9 47.9 -55.6 -45.8 -10.2 -4.2 90.6 51 66 A L H X S+ 0 0 10 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.871 106.8 54.9 -65.2 -37.7 -9.8 -1.7 93.5 52 67 A S H X S+ 0 0 37 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.892 107.4 52.4 -64.0 -35.6 -13.1 -2.6 95.1 53 68 A H H X S+ 0 0 105 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.850 99.9 62.3 -67.0 -34.7 -11.8 -6.2 95.1 54 69 A V H X S+ 0 0 18 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.898 94.6 62.6 -54.5 -42.8 -8.6 -5.1 96.9 55 70 A T H X>S+ 0 0 12 -4,-1.3 5,-2.5 1,-0.2 4,-0.5 0.888 104.7 46.7 -55.4 -42.2 -10.7 -3.9 99.9 56 71 A S H ><5S+ 0 0 90 -4,-0.9 3,-1.2 -3,-0.4 -1,-0.2 0.964 112.2 49.8 -61.3 -51.5 -11.8 -7.5 100.5 57 72 A V H 3<5S+ 0 0 117 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.876 119.3 36.1 -57.3 -42.3 -8.4 -8.9 100.1 58 73AA V H 3<5S- 0 0 57 -4,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.319 110.3-118.3 -98.4 10.1 -6.8 -6.5 102.6 59 73BA D T <<5 + 0 0 146 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.886 69.4 125.5 61.8 43.1 -9.8 -6.3 104.9 60 74 A T < - 0 0 25 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.792 50.2-139.8-121.5 170.2 -10.6 -2.6 104.5 61 75 A N + 0 0 96 -2,-0.3 2,-0.3 2,-0.0 -9,-0.0 -0.832 41.8 129.3-139.5 98.2 -13.9 -0.9 103.6 62 76 A V - 0 0 5 -2,-0.4 2,-0.5 -10,-0.1 -29,-0.1 -0.950 53.7-114.7-136.2 158.2 -14.0 2.1 101.3 63 77 A S - 0 0 38 -2,-0.3 -29,-2.8 -8,-0.0 2,-0.5 -0.823 25.4-168.4 -96.0 127.8 -16.1 2.6 98.2 64 78 A V E +c 34 0A 13 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.979 17.4 167.3-119.2 120.9 -14.2 2.9 94.9 65 79 A R E -c 35 0A 149 -31,-2.3 -29,-2.9 -2,-0.5 2,-0.3 -0.948 32.0-129.3-133.0 152.0 -16.4 4.0 91.9 66 80 A A E -c 36 0A 18 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.760 27.3-179.4 -96.5 143.9 -15.8 5.3 88.4 67 81 A E E -c 37 0A 47 -31,-2.4 -29,-0.7 -2,-0.3 -2,-0.0 -0.994 18.8-172.6-142.4 142.4 -17.5 8.6 87.3 68 83 A Y + 0 0 71 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.1 0.468 65.9 71.6-113.7 -4.2 -17.4 10.3 84.0 69 84 A S S > S- 0 0 62 1,-0.1 4,-2.1 -32,-0.0 5,-0.2 -0.860 76.7-129.3-111.2 151.7 -19.2 13.6 84.7 70 85 A Y H > S+ 0 0 29 -2,-0.3 4,-3.1 1,-0.2 5,-0.5 0.911 105.3 57.2 -64.6 -45.4 -17.8 16.4 86.8 71 86AA E H > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 113.0 39.5 -57.1 -42.5 -20.8 16.8 89.0 72 86BA A H 4 S+ 0 0 36 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.846 119.2 45.2 -77.5 -32.3 -20.6 13.1 90.1 73 87 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.934 123.1 35.0 -75.0 -41.7 -16.8 13.0 90.4 74 88 A L H >< S+ 0 0 0 -4,-3.1 3,-2.3 -5,-0.2 -3,-0.2 0.794 85.4 104.3 -83.7 -35.3 -16.5 16.3 92.3 75 89 A T T 3< S+ 0 0 63 -4,-1.7 44,-0.2 -5,-0.5 43,-0.1 -0.286 97.4 5.5 -56.3 128.0 -19.5 16.7 94.5 76 90 A G T 3 S+ 0 0 45 42,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.450 89.3 152.0 79.0 0.9 -18.6 16.0 98.1 77 91 A A < - 0 0 6 -3,-2.3 -1,-0.2 1,-0.2 -67,-0.2 -0.511 31.0-170.0 -72.0 123.3 -14.8 15.7 97.4 78 92 A D S S+ 0 0 34 -69,-2.0 45,-1.2 -2,-0.4 2,-0.3 0.746 81.0 16.1 -78.2 -26.4 -12.6 16.7 100.3 79 93 A C E -bd 10 123A 0 -70,-1.3 -68,-2.6 43,-0.2 2,-0.4 -0.990 66.4-160.1-149.6 142.3 -9.6 16.5 98.1 80 94 A V E -bd 11 124A 0 43,-2.2 45,-3.2 -2,-0.3 2,-0.6 -0.995 5.0-165.4-129.4 125.0 -9.2 16.5 94.3 81 95 A I E -bd 12 125A 0 -70,-2.6 -68,-1.7 -2,-0.4 2,-0.6 -0.940 10.8-156.2-118.3 116.4 -6.0 15.2 92.7 82 96 A V E +bd 13 126A 0 43,-2.2 45,-2.5 -2,-0.6 46,-1.6 -0.799 35.3 148.8-103.0 118.6 -5.6 16.1 89.1 83 97 A T + 0 0 28 -70,-2.5 -69,-0.2 -2,-0.6 46,-0.2 0.292 38.0 128.7-121.2 0.8 -3.5 14.2 86.6 84 98 A A + 0 0 16 -71,-1.4 2,-0.2 44,-0.1 43,-0.1 -0.146 43.4 55.0 -55.4 152.5 -5.6 14.9 83.5 85 99 A G S S- 0 0 32 43,-0.1 2,-0.1 22,-0.1 15,-0.1 -0.501 91.4 -42.1 115.9 173.1 -3.9 16.2 80.4 86 100 A L - 0 0 63 14,-0.2 43,-0.4 -2,-0.2 2,-0.4 -0.484 58.9-117.9 -75.6 153.9 -1.0 15.5 78.0 87 101 A T - 0 0 106 -2,-0.1 -1,-0.1 1,-0.1 41,-0.0 -0.735 30.5-123.0 -92.1 140.5 2.2 14.2 79.5 88 102 A K - 0 0 47 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.139 26.4 -94.9 -76.1 175.5 5.3 16.4 79.0 89 103AA V - 0 0 89 1,-0.1 -1,-0.1 2,-0.1 139,-0.1 -0.774 56.4 -90.6 -88.6 134.5 8.6 15.6 77.4 90 103BA P 0 0 48 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 -0.135 360.0 360.0 -46.4 136.1 11.2 14.5 80.0 91 103CA G 0 0 55 133,-0.1 95,-0.6 -3,-0.1 96,-0.2 0.048 360.0 360.0 50.7 360.0 13.2 17.5 81.2 92 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 93 105BA S 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.8 9.8 25.1 75.7 94 106 A E > + 0 0 146 3,-0.0 4,-1.3 0, 0.0 3,-0.1 0.553 360.0 12.9-126.4 -82.7 9.1 23.9 72.1 95 107 A W H >>S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-1.3 0.747 124.8 63.5 -72.9 -25.7 6.2 21.4 71.3 96 108 A S H 4>S+ 0 0 19 3,-0.2 5,-4.4 2,-0.2 -1,-0.2 0.874 101.4 48.7 -68.0 -36.7 5.0 22.0 74.8 97 109 A R H 45S+ 0 0 99 3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 121.1 34.6 -70.9 -39.5 4.3 25.7 74.1 98 110 A N H <5S+ 0 0 114 -4,-1.3 -2,-0.2 3,-0.1 -1,-0.2 0.657 139.4 9.4 -93.1 -12.7 2.5 24.9 70.9 99 111 A D T X5S+ 0 0 86 -4,-2.3 4,-1.5 -5,-0.1 5,-0.3 0.659 127.4 44.6-128.8 -51.5 0.7 21.7 71.8 100 112 A L H > S+ 0 0 49 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.967 119.5 43.8 -60.4 -48.5 -2.9 25.1 74.9 103 115 A F H X S+ 0 0 103 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.949 120.6 38.2 -60.8 -53.5 -4.4 21.7 75.5 104 116 A N H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.3 5,-0.3 0.887 113.7 53.3 -71.2 -36.7 -3.5 21.4 79.2 105 117 A S H X S+ 0 0 2 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.895 112.0 49.1 -64.0 -35.8 -4.2 25.0 80.2 106 118 A K H X S+ 0 0 141 -4,-1.8 4,-2.2 -5,-0.4 -2,-0.2 0.956 113.7 43.1 -67.1 -51.5 -7.6 24.6 78.6 107 119 A I H X S+ 0 0 25 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.892 114.5 49.7 -64.9 -37.4 -8.4 21.3 80.4 108 120 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.907 109.8 52.5 -66.8 -39.7 -7.1 22.5 83.8 109 121 A R H X S+ 0 0 58 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.940 110.9 46.9 -61.9 -42.2 -9.1 25.7 83.5 110 122 A E H X S+ 0 0 73 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.884 110.5 51.7 -66.5 -39.4 -12.3 23.7 82.8 111 123 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 3,-0.2 0.961 110.3 50.2 -63.9 -43.4 -11.6 21.3 85.7 112 124 A G H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.929 106.2 54.1 -60.1 -42.6 -11.2 24.4 87.9 113 125 A Q H X S+ 0 0 110 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.878 110.8 48.0 -60.0 -33.7 -14.4 25.9 86.8 114 126 A N H X S+ 0 0 27 -4,-1.7 4,-2.7 -3,-0.2 5,-0.3 0.808 108.0 52.8 -79.0 -26.8 -16.1 22.7 87.7 115 127 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 107.3 53.2 -70.2 -38.3 -14.4 22.6 91.1 116 128 A K H < S+ 0 0 132 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.929 114.5 43.6 -59.3 -40.3 -15.7 26.1 91.7 117 129 A K H < S+ 0 0 148 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.921 128.8 20.6 -70.9 -46.9 -19.2 24.8 90.9 118 130 A Y H < S+ 0 0 55 -4,-2.7 -42,-0.6 1,-0.1 -3,-0.2 0.784 134.5 16.0-101.4 -30.7 -19.2 21.5 92.8 119 131 A C >< + 0 0 9 -4,-1.9 3,-2.0 -5,-0.3 -1,-0.1 -0.383 59.7 159.7-143.8 64.8 -16.6 21.4 95.6 120 132AA P T 3 S+ 0 0 69 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.683 78.1 54.7 -60.4 -19.4 -15.4 25.0 96.3 121 132BA K T 3 S+ 0 0 193 -6,-0.1 -5,-0.1 -44,-0.1 -6,-0.0 0.251 85.8 116.2 -97.0 8.8 -14.1 23.9 99.8 122 133 A T < - 0 0 2 -3,-2.0 2,-0.6 -7,-0.2 -43,-0.2 -0.207 68.9-119.2 -74.9 169.7 -11.9 21.1 98.5 123 134 A F E -d 79 0A 0 -45,-1.2 -43,-2.2 166,-0.0 2,-0.5 -0.970 32.6-149.6-108.4 117.5 -8.1 20.9 98.7 124 135 A I E -de 80 149A 0 24,-2.7 26,-1.9 -2,-0.6 2,-0.6 -0.779 15.9-173.5 -97.3 128.9 -6.7 20.7 95.2 125 136 A I E -de 81 150A 0 -45,-3.2 -43,-2.2 -2,-0.5 2,-0.3 -0.953 11.5-158.5-120.0 114.7 -3.5 18.9 94.4 126 137 A V E +de 82 151A 0 24,-2.7 26,-3.0 -2,-0.6 139,-0.2 -0.733 25.7 161.8 -92.7 140.0 -2.4 19.4 90.8 127 138 A V + 0 0 16 -45,-2.5 -44,-0.2 -2,-0.3 4,-0.2 0.564 42.5 111.7-119.5 -37.2 0.0 16.9 89.2 128 139 A T S S- 0 0 8 -46,-1.6 6,-0.2 2,-0.1 7,-0.1 -0.092 70.4 -81.3 -42.5 132.4 -0.6 17.8 85.5 129 140 A N S S+ 0 0 33 -43,-0.4 -43,-0.1 1,-0.2 -1,-0.1 -0.487 111.0 44.2 -94.4 158.9 2.4 19.4 83.8 130 141 A P S > S- 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.351 86.9-163.7 -71.3 119.6 4.0 21.9 83.4 131 142 A L H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 73.6 40.9 -43.5 -68.3 3.2 21.9 87.1 132 143 A D H > S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 146,-0.2 0.896 118.1 49.9 -56.3 -39.1 3.7 25.4 88.6 133 144 A C H >> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.966 112.1 47.1 -62.1 -53.6 2.1 27.0 85.5 134 145 A M H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.799 105.3 59.7 -60.4 -33.0 -0.9 24.7 85.7 135 146 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.897 106.2 47.9 -64.7 -36.5 -1.4 25.2 89.4 136 147 A K H - 0 0 75 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.247 45.0-117.0 -52.4 144.5 -8.4 30.3 98.7 146 157 A T G > S+ 0 0 54 1,-0.3 3,-0.7 2,-0.2 121,-0.5 0.691 114.9 59.9 -61.1 -22.0 -4.7 30.3 97.7 147 158 A N G 3 S+ 0 0 58 1,-0.2 143,-3.3 119,-0.1 -1,-0.3 0.523 96.8 64.4 -81.2 -6.4 -3.8 28.1 100.7 148 159 A M G < S+ 0 0 26 -3,-2.3 -24,-2.7 141,-0.2 2,-0.3 0.121 95.9 59.5-105.2 18.7 -6.2 25.3 99.4 149 160 A I E < +e 124 0A 0 -3,-0.7 118,-0.4 -26,-0.2 2,-0.3 -0.994 55.4 150.3-144.8 140.3 -4.4 24.5 96.2 150 161 A C E -e 125 0A 0 -26,-1.9 -24,-2.7 -2,-0.3 2,-0.4 -0.926 34.8-118.1-154.8 174.9 -0.8 23.2 95.6 151 162 A G E -eF 126 265A 0 114,-1.6 114,-2.7 -2,-0.3 2,-0.5 -0.979 17.6-131.2-126.1 140.5 1.0 21.1 93.1 152 163 A M + 0 0 8 -26,-3.0 112,-0.1 -2,-0.4 95,-0.1 -0.789 67.5 91.3 -90.2 123.2 2.8 17.7 93.6 153 164 A A S >> S+ 0 0 5 -2,-0.5 4,-2.2 110,-0.3 3,-0.7 0.029 70.9 61.1-164.3 -58.0 6.4 17.5 92.2 154 165 A C H 3> S+ 0 0 3 -3,-0.3 4,-2.6 1,-0.3 26,-0.4 0.750 100.5 58.0 -59.5 -27.9 9.1 18.5 94.6 155 166 A M H 3> S+ 0 0 25 108,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.893 109.0 47.0 -70.6 -35.7 8.2 15.7 97.1 156 167 A L H <> S+ 0 0 9 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.939 114.7 45.0 -65.7 -46.2 8.8 13.2 94.3 157 168 A D H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.886 114.6 49.3 -66.2 -38.2 12.1 14.9 93.3 158 169 A S H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.870 107.8 54.5 -68.5 -35.3 13.1 15.1 96.9 159 170 A G H X S+ 0 0 28 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.920 109.6 47.2 -64.3 -41.1 12.2 11.4 97.4 160 171 A R H X S+ 0 0 25 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.975 112.0 50.2 -60.8 -50.8 14.5 10.5 94.5 161 172 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.923 112.4 47.9 -51.3 -50.0 17.3 12.7 96.0 162 173 A R H X S+ 0 0 67 -4,-2.7 4,-2.8 16,-0.3 -1,-0.2 0.852 107.2 54.9 -65.1 -36.1 16.9 11.0 99.4 163 174 A R H X S+ 0 0 109 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.930 110.4 46.4 -64.4 -42.5 16.9 7.5 98.0 164 175 A Y H X S+ 0 0 45 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.932 114.8 45.4 -67.1 -44.8 20.2 8.1 96.3 165 176 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.929 110.6 55.3 -62.5 -44.1 21.8 9.7 99.3 166 177 A A H X>S+ 0 0 1 -4,-2.8 5,-1.7 1,-0.2 4,-1.4 0.894 109.0 47.5 -57.4 -39.4 20.4 7.0 101.6 167 178 A D H <5S+ 0 0 98 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.928 110.9 51.3 -68.0 -41.0 22.1 4.3 99.4 168 179 A A H <5S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.858 120.5 34.2 -63.7 -34.5 25.4 6.3 99.4 169 180 A L H <5S- 0 0 20 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.563 103.9-126.5 -96.1 -8.5 25.3 6.5 103.3 170 181 A S T <5 + 0 0 111 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.953 67.5 121.7 58.5 50.4 23.7 3.1 104.0 171 182 A V S - 0 0 65 -2,-0.3 3,-1.5 1,-0.1 -9,-0.0 -0.500 33.5-128.5 -67.9 140.8 17.1 4.4 105.8 173 184 A P G > S+ 0 0 31 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.694 105.2 78.0 -66.4 -15.7 15.8 7.3 103.6 174 185 A R G 3 S+ 0 0 159 1,-0.3 24,-0.1 3,-0.1 -2,-0.0 0.897 98.7 45.3 -53.8 -38.0 13.4 8.0 106.5 175 186 A D G < S+ 0 0 55 -3,-1.5 23,-1.8 22,-0.1 2,-0.6 0.220 94.2 88.1 -95.5 14.7 16.5 9.6 108.1 176 187 A V E < -J 197 0B 1 -3,-1.8 2,-0.8 21,-0.2 21,-0.2 -0.957 57.1-165.1-109.1 122.6 17.8 11.5 105.1 177 188 A Q E +J 196 0B 64 19,-2.8 19,-2.2 -2,-0.6 2,-0.4 -0.920 26.1 153.5-102.6 111.2 16.4 15.0 104.8 178 189 A A - 0 0 4 -2,-0.8 2,-0.4 17,-0.2 -16,-0.3 -0.995 22.1-162.6-137.2 135.2 17.2 16.1 101.2 179 190 A T - 0 0 37 -2,-0.4 12,-3.1 12,-0.3 2,-0.4 -0.933 15.2-162.3-127.2 143.9 15.1 18.7 99.4 180 191 A V E -L 190 0C 0 -26,-0.4 2,-0.3 -2,-0.4 -22,-0.2 -0.975 18.8-178.8-116.9 130.9 14.6 19.9 95.8 181 192 A I E +L 189 0C 0 8,-1.7 8,-2.9 -2,-0.4 2,-0.3 -0.785 40.0 50.0-121.7 172.9 12.9 23.3 95.3 182 193 A G B S-G 280 0A 0 98,-2.7 98,-1.5 -2,-0.3 2,-0.3 -0.779 96.0 -29.5 104.3-149.9 12.0 25.1 92.1 183 194 A T - 0 0 13 -2,-0.3 2,-1.2 4,-0.2 -2,-0.1 -0.801 66.7 -98.1-112.2 152.9 10.1 23.8 89.1 184 195 A H S S+ 0 0 37 -2,-0.3 2,-0.3 3,-0.1 -53,-0.2 -0.587 89.3 64.7 -74.4 93.8 10.0 20.2 87.8 185 196 A G S > S- 0 0 11 -2,-1.2 3,-2.1 -55,-0.1 -2,-0.0 -0.937 111.6 -53.6 178.7-166.5 12.5 20.0 85.0 186 197 A D T 3 S+ 0 0 96 -95,-0.6 38,-0.1 1,-0.3 -2,-0.1 0.709 129.6 69.2 -64.8 -15.6 16.3 20.4 84.4 187 198 A C T 3 S+ 0 0 33 -96,-0.2 -1,-0.3 121,-0.1 122,-0.2 0.550 73.4 118.6 -75.1 -14.2 15.8 23.7 86.2 188 199 A M < - 0 0 5 -3,-2.1 -6,-0.2 -6,-0.2 -4,-0.1 -0.116 59.6-136.5 -55.9 156.0 15.0 22.0 89.6 189 200 A V E -L 181 0C 3 -8,-2.9 -8,-1.7 117,-0.0 2,-0.6 -0.795 12.3-165.6-119.6 91.0 17.3 22.8 92.5 190 201 A P E -L 180 0C 11 0, 0.0 2,-1.8 0, 0.0 -10,-0.3 -0.659 23.4-136.7 -75.9 123.5 18.4 19.9 94.7 191 202 A L >> + 0 0 3 -12,-3.1 3,-1.1 -2,-0.6 4,-0.6 -0.512 31.5 171.3 -82.2 78.7 19.9 21.6 97.8 192 203 A V G >4 S+ 0 0 22 -2,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.865 75.6 57.6 -54.2 -37.5 23.1 19.5 98.3 193 204 A R G 34 S+ 0 0 107 1,-0.3 10,-0.3 -3,-0.2 -1,-0.3 0.802 104.8 51.7 -66.1 -30.6 24.3 21.9 101.0 194 205 A Y G <4 S+ 0 0 72 -3,-1.1 -1,-0.3 -15,-0.1 -2,-0.2 0.489 77.6 128.0 -82.9 -10.5 21.2 21.5 103.1 195 206 A I << - 0 0 1 -3,-1.2 7,-2.1 -4,-0.6 2,-0.3 -0.261 35.9-178.9 -50.2 132.1 21.3 17.6 103.1 196 207 A T E -JK 177 201B 30 -19,-2.2 -19,-2.8 5,-0.2 2,-0.6 -0.954 29.4-142.1-133.4 153.7 21.1 16.3 106.7 197 208 A V E > S-JK 176 200B 11 3,-2.5 3,-2.1 -2,-0.3 -21,-0.2 -0.966 94.8 -28.2-112.9 107.4 21.1 12.8 108.2 198 209AA N T 3 S- 0 0 77 -23,-1.8 -1,-0.2 -2,-0.6 -22,-0.1 0.909 129.7 -46.4 45.0 48.0 18.6 13.0 111.0 199 209BA G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -24,-0.1 -23,-0.1 0.420 112.0 123.6 80.2 -2.2 19.4 16.7 111.3 200 209CA Y E < -K 197 0B 135 -3,-2.1 -3,-2.5 1,-0.1 -1,-0.2 -0.840 68.5-111.9 -94.7 119.9 23.2 16.2 111.2 201 209DA P E >> -K 196 0B 73 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.129 12.3-131.0 -52.8 142.2 24.8 18.2 108.3 202 210AA I H >> S+ 0 0 0 -7,-2.1 4,-1.7 1,-0.2 3,-0.8 0.756 96.2 80.4 -66.0 -26.5 26.2 16.3 105.4 203 210BA Q H 3> S+ 0 0 84 -10,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.873 92.0 50.4 -51.5 -38.1 29.5 18.4 105.5 204 211 A K H <> S+ 0 0 110 -3,-0.8 4,-2.3 1,-0.2 -1,-0.3 0.839 105.2 55.3 -69.4 -32.9 30.8 16.3 108.4 205 212 A F H <<>S+ 0 0 46 -3,-0.8 5,-2.2 -4,-0.5 6,-1.0 0.821 109.1 49.2 -68.4 -30.6 30.1 13.1 106.5 206 213 A I H ><5S+ 0 0 45 -4,-1.7 3,-1.9 4,-0.2 -2,-0.2 0.939 110.1 49.8 -71.8 -46.3 32.2 14.5 103.7 207 214 A K H 3<5S+ 0 0 174 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.893 109.3 53.3 -58.6 -36.9 35.0 15.4 106.1 208 215 A D T 3<5S- 0 0 96 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.394 115.5-115.3 -81.4 4.1 34.8 11.8 107.5 209 216 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.633 80.9 123.1 75.9 11.6 35.2 10.3 104.1 210 218 A V S - 0 0 73 -2,-0.3 4,-1.8 -3,-0.1 5,-0.2 -0.759 22.9-115.0-109.1 164.4 32.5 13.0 98.6 213 221 A E H > S+ 0 0 79 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.912 117.7 51.8 -59.6 -44.6 31.4 16.4 97.2 214 222 A K H > S+ 0 0 149 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 106.6 54.1 -60.9 -38.9 31.6 15.1 93.7 215 223 A Q H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 107.6 50.3 -62.0 -39.2 29.5 12.1 94.6 216 225 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.875 109.9 50.1 -69.3 -36.6 26.8 14.4 96.0 217 226 A E H X S+ 0 0 116 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.871 108.6 52.1 -70.2 -33.1 26.8 16.4 92.8 218 227 A E H X S+ 0 0 104 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.890 110.9 48.8 -66.7 -37.5 26.5 13.2 90.7 219 228 A I H X S+ 0 0 16 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.909 109.6 51.7 -66.8 -42.3 23.5 12.4 93.0 220 229 A A H X S+ 0 0 12 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.908 112.4 45.9 -60.2 -43.5 22.0 15.9 92.4 221 230 A E H X S+ 0 0 101 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.907 110.6 53.0 -66.8 -40.1 22.4 15.4 88.6 222 231 A H H X S+ 0 0 60 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.926 107.1 53.3 -59.8 -42.8 20.9 11.9 88.9 223 232 A T H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.4 0.935 106.0 53.5 -57.8 -47.8 17.9 13.4 90.7 224 233 A K H 3< S+ 0 0 51 -4,-2.0 3,-0.3 1,-0.2 4,-0.2 0.876 116.5 36.7 -58.4 -35.6 17.4 16.0 87.9 225 234 A V H 3X S+ 0 0 55 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.347 86.4 103.8-101.4 10.9 17.2 13.3 85.2 226 235 A S H S+ 0 0 21 -4,-0.4 4,-2.2 -3,-0.3 12,-0.3 0.940 112.6 43.6 -63.3 -46.8 12.0 11.2 85.5 228 237 A G H > S+ 0 0 6 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.849 108.0 59.8 -67.4 -35.0 13.4 10.8 82.0 229 238 A E H X S+ 0 0 62 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.913 108.6 43.8 -60.0 -43.4 15.5 7.8 83.0 230 239 A I H X S+ 0 0 54 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.937 110.3 55.8 -68.9 -42.7 12.3 6.0 84.0 231 240 A V H X S+ 0 0 43 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.929 109.1 48.0 -54.6 -44.1 10.5 7.1 80.8 232 241 A R H < S+ 0 0 171 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 113.5 45.8 -67.0 -39.7 13.3 5.6 78.7 233 242AA F H < S+ 0 0 165 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.913 112.0 51.0 -70.6 -39.3 13.3 2.3 80.6 234 242BA L H < S- 0 0 80 -4,-3.3 2,-0.6 1,-0.2 -2,-0.2 0.873 87.6-155.5 -67.0 -32.0 9.5 2.0 80.5 235 242CA G S < S+ 0 0 70 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 -0.132 76.9 44.0 85.7 -41.0 9.4 2.7 76.7 236 243 A Q S S- 0 0 168 -2,-0.6 -4,-0.0 2,-0.0 -3,-0.0 -0.997 113.3 -7.0-135.9 137.2 5.8 3.9 77.2 237 244 A G S S- 0 0 35 -2,-0.3 2,-0.2 -150,-0.0 -2,-0.2 -0.123 75.6-100.7 73.2-174.9 4.5 6.2 79.8 238 245 A S - 0 0 49 1,-0.2 -10,-0.1 -4,-0.1 -11,-0.1 -0.689 49.8 -43.1-137.4-173.2 6.3 7.5 82.9 239 246 A A + 0 0 13 -12,-0.3 -1,-0.2 -2,-0.2 -221,-0.1 -0.136 50.5 155.4 -55.2 146.8 6.8 7.0 86.6 240 247 A Y > + 0 0 52 -223,-0.1 4,-2.2 3,-0.1 5,-0.2 0.540 55.7 68.7-146.1 -26.4 3.7 6.4 88.8 241 248 A Y H > S+ 0 0 161 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.952 111.6 33.6 -66.3 -49.3 4.4 4.5 92.0 242 249 A A H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 117.0 53.6 -75.4 -37.1 6.4 7.3 93.7 243 250 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.931 112.4 47.0 -62.6 -41.2 4.4 10.2 92.1 244 251 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.943 112.1 48.6 -62.9 -49.3 1.2 8.5 93.5 245 252 A A H X S+ 0 0 38 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.874 111.8 52.1 -59.0 -36.1 2.7 7.9 97.0 246 253 A S H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.939 110.8 44.3 -65.4 -48.4 3.8 11.6 97.0 247 254 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.888 115.2 49.2 -64.6 -39.4 0.4 13.1 96.1 248 255 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.875 106.5 54.8 -71.2 -34.0 -1.3 10.8 98.6 249 256 A A H X S+ 0 0 21 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.936 111.3 47.1 -63.6 -39.8 1.1 11.7 101.4 250 257 A M H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.928 112.5 48.5 -63.9 -45.3 0.2 15.4 100.7 251 258 A A H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.890 110.1 52.3 -63.5 -37.8 -3.5 14.6 100.7 252 259 A T H X S+ 0 0 22 -4,-2.7 4,-2.0 1,-0.2 6,-0.2 0.868 104.6 54.5 -66.6 -38.4 -3.2 12.6 103.9 253 260 A S H <>S+ 0 0 0 -4,-1.9 5,-2.2 -5,-0.2 6,-0.7 0.855 114.3 43.3 -64.4 -34.1 -1.4 15.5 105.7 254 261 A F H ><5S+ 0 0 25 -4,-1.5 3,-1.4 3,-0.2 -2,-0.2 0.958 113.8 48.5 -72.3 -53.7 -4.3 17.7 104.8 255 262 A L H 3<5S+ 0 0 13 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.767 123.1 33.3 -60.0 -29.9 -7.1 15.2 105.6 256 263 A N T 3<5S- 0 0 92 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.174 105.0-123.3-111.2 13.5 -5.7 14.4 109.0 257 264 A D T < 5 + 0 0 76 -3,-1.4 -3,-0.2 29,-0.1 -4,-0.1 0.899 54.1 157.2 44.5 56.2 -4.3 17.8 109.7 258 265 A E < - 0 0 89 -5,-2.2 28,-0.2 -6,-0.2 -4,-0.1 0.760 41.2-142.2 -80.4 -29.8 -0.8 16.3 110.2 259 266 A K + 0 0 100 26,-1.3 27,-0.2 -6,-0.7 2,-0.1 0.875 33.3 176.1 66.1 40.6 1.1 19.5 109.5 260 267 A R E - H 0 285A 118 25,-1.1 25,-2.6 -10,-0.1 2,-0.7 -0.431 32.6-122.7 -71.1 154.8 3.8 17.5 107.6 261 268 A V E + H 0 284A 88 23,-0.2 23,-0.2 -2,-0.1 -1,-0.1 -0.904 44.9 162.1-103.8 112.7 6.6 19.6 106.0 262 269 A I E - H 0 283A 2 21,-2.6 21,-1.1 -2,-0.7 2,-0.2 -0.993 40.9-124.4-139.5 127.0 6.7 18.8 102.3 263 270 A P E + H 0 282A 14 0, 0.0 -108,-0.4 0, 0.0 -110,-0.3 -0.528 52.7 142.2 -68.2 132.8 8.2 20.6 99.4 264 271 A C E - H 0 281A 0 17,-2.6 17,-2.3 -2,-0.2 2,-0.7 -0.971 60.7 -73.7-165.3 164.1 5.4 21.2 96.9 265 272 A S E +FH 151 280A 1 -114,-2.7 -114,-1.6 -2,-0.3 2,-0.3 -0.573 64.8 173.3 -72.4 112.8 4.2 24.0 94.4 266 273 A V E - H 0 279A 0 13,-2.3 13,-1.5 -2,-0.7 2,-0.4 -0.840 37.0 -94.6-127.9 160.5 2.8 26.7 96.6 267 274 A Y E - H 0 278A 46 -121,-0.5 2,-0.4 -118,-0.4 11,-0.2 -0.547 39.6-159.6 -73.3 124.8 1.3 30.2 96.5 268 275 A C E + H 0 277A 0 9,-2.7 9,-0.9 -2,-0.4 8,-0.7 -0.873 24.7 164.5-109.5 138.4 3.9 32.9 97.2 269 276 A N E S- H 0 275A 88 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.639 86.1 -19.3-146.6 79.7 3.2 36.4 98.3 270 277 A G S > S+ 0 0 34 4,-3.4 3,-2.3 1,-0.4 5,-0.1 -0.166 96.9 121.5 115.4 -39.1 6.5 37.8 99.6 271 278 A E G > S- 0 0 42 1,-0.3 3,-2.6 2,-0.2 -1,-0.4 -0.327 93.7 -0.5 -61.2 138.4 8.6 34.7 100.4 272 279 A Y G 3 S- 0 0 44 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.645 127.3 -74.5 57.0 11.9 11.8 34.6 98.4 273 280 A G G < S+ 0 0 65 -3,-2.3 2,-0.3 1,-0.3 -1,-0.3 0.604 97.1 139.3 77.7 13.6 10.5 38.0 97.0 274 281 A L < - 0 0 16 -3,-2.6 -4,-3.4 3,-0.0 2,-0.4 -0.671 33.0-163.7 -94.4 144.6 8.0 36.3 94.8 275 282 A K E - H 0 269A 157 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.975 59.0 -9.0-132.7 145.3 4.4 37.5 94.2 276 283 A D E S+ 0 0 81 -8,-0.7 2,-0.3 -2,-0.4 -1,-0.2 0.852 102.6 100.6 42.3 51.4 1.2 36.0 92.9 277 285 A M E - H 0 268A 8 -9,-0.9 -9,-2.7 -3,-0.1 2,-0.4 -0.987 64.9-126.2-154.3 162.0 2.8 32.8 91.6 278 286 A F E + H 0 267A 2 -2,-0.3 2,-0.3 -146,-0.2 -11,-0.2 -0.912 35.3 157.1-111.4 140.1 3.2 29.2 92.5 279 287 A I E - H 0 266A 0 -13,-1.5 -13,-2.3 -2,-0.4 2,-0.6 -0.975 49.4 -80.9-155.6 158.1 6.6 27.5 92.7 280 288 A G E +GH 182 265A 0 -98,-1.5 -98,-2.7 -2,-0.3 -15,-0.3 -0.511 65.0 140.2 -69.8 114.0 8.2 24.5 94.4 281 289 A L E - H 0 264A 0 -17,-2.3 -17,-2.6 -2,-0.6 2,-0.2 -0.951 58.0 -83.3-147.2 163.1 9.1 25.2 98.0 282 290 A P E + H 0 263A 9 0, 0.0 12,-3.3 0, 0.0 2,-0.3 -0.506 56.9 170.0 -70.7 131.4 9.0 23.6 101.5 283 291 A A E -IH 293 262A 0 -21,-1.1 -21,-2.6 10,-0.2 2,-0.5 -0.933 36.8-120.6-142.0 162.2 5.5 24.1 103.0 284 292 A V E -IH 292 261A 20 8,-2.3 7,-2.3 -2,-0.3 8,-0.9 -0.920 27.2-158.5-106.1 126.7 3.5 22.9 106.0 285 293 A I E +IH 290 260A 0 -25,-2.6 -26,-1.3 -2,-0.5 -25,-1.1 -0.942 27.9 143.0-113.1 117.3 0.3 21.0 105.0 286 294 A G E > -I 289 0A 0 3,-3.1 3,-1.8 -2,-0.6 -29,-0.1 -0.590 66.9 -63.9-133.0-163.5 -2.4 20.8 107.5 287 295 A G T 3 S+ 0 0 40 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.600 131.9 53.0 -65.4 -12.1 -6.2 20.9 107.9 288 296 A A T 3 S- 0 0 54 1,-0.4 -1,-0.3 -165,-0.0 2,-0.2 -0.065 115.1-120.9-110.6 27.1 -6.2 24.5 106.7 289 297 A G E < S+I 286 0A 0 -3,-1.8 -3,-3.1 -35,-0.1 2,-1.0 -0.511 84.4 14.8 74.5-136.2 -4.2 23.5 103.6 290 298 A I E S+I 285 0A 17 -143,-3.3 -5,-0.2 -2,-0.2 3,-0.1 -0.677 70.2 174.3 -75.9 103.3 -0.8 25.2 103.1 291 299 A E E + 0 0 70 -7,-2.3 2,-0.3 -2,-1.0 -1,-0.2 0.610 63.1 9.4 -87.8 -15.9 -0.3 26.7 106.6 292 301 A R E -I 284 0A 161 -8,-0.9 -8,-2.3 -145,-0.1 2,-0.5 -0.930 56.1-149.9-162.9 139.9 3.2 28.0 106.1 293 302 A V E -I 283 0A 20 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.974 30.9-135.1-112.5 125.3 5.6 28.4 103.2 294 303 A I - 0 0 45 -12,-3.3 2,-0.7 -2,-0.5 -2,-0.0 -0.705 9.2-149.1 -89.4 130.1 9.1 28.1 104.6 295 304 A E - 0 0 123 -2,-0.4 2,-0.2 -14,-0.1 -14,-0.0 -0.870 14.1-156.7-100.4 113.8 11.7 30.6 103.4 296 305 A L - 0 0 38 -2,-0.7 2,-1.1 1,-0.1 -24,-0.1 -0.583 23.4-116.3 -88.7 149.6 15.2 29.1 103.3 297 306 A E - 0 0 173 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.752 41.2-163.2 -81.5 102.8 18.4 31.2 103.6 298 307 A L - 0 0 16 -2,-1.1 2,-0.0 1,-0.1 -3,-0.0 -0.720 8.5-134.3 -92.8 142.6 19.8 30.5 100.1 299 308 A N > - 0 0 62 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.182 37.9 -85.3 -82.3-176.6 23.5 31.2 99.3 300 309 A E H > S+ 0 0 174 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.932 128.1 42.7 -54.1 -54.9 24.7 32.9 96.2 301 310 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 114.5 51.1 -62.3 -37.9 24.8 29.9 94.0 302 311 A E H > S+ 0 0 14 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.915 109.1 50.6 -66.9 -42.2 21.5 28.5 95.3 303 312 A K H X S+ 0 0 133 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.906 109.1 53.4 -60.3 -41.4 19.8 31.9 94.6 304 313 A K H X S+ 0 0 126 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.924 112.7 41.7 -60.9 -47.3 21.2 31.8 91.1 305 314 A Q H X S+ 0 0 54 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.895 115.4 49.8 -69.8 -38.6 19.8 28.3 90.3 306 315 A F H >X S+ 0 0 12 -4,-2.9 4,-2.7 1,-0.2 3,-0.7 0.937 105.8 58.0 -63.1 -43.2 16.4 29.1 92.0 307 316 A Q H 3X S+ 0 0 95 -4,-3.0 4,-3.2 1,-0.3 -1,-0.2 0.849 102.7 54.9 -52.0 -39.0 16.2 32.3 89.9 308 317 A K H 3X S+ 0 0 112 -4,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.863 107.1 48.8 -62.6 -39.6 16.5 30.1 86.9 309 318 A S H < S+ 0 0 10 -4,-1.9 3,-1.5 2,-0.2 4,-0.3 0.929 112.3 45.8 -73.2 -44.5 -0.5 31.0 79.2 321 329 A A H >< S+ 0 0 66 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.931 105.9 61.4 -61.1 -43.5 -1.9 34.5 79.6 322 330 A A T 3< S+ 0 0 87 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.454 95.2 64.0 -62.6 -1.7 -0.9 35.2 76.0 323 331 A L T < 0 0 80 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.518 360.0 360.0 -98.3 -10.9 -3.3 32.4 74.9 324 332 A Q < 0 0 141 -3,-2.5 -2,-0.2 -4,-0.3 -3,-0.1 0.793 360.0 360.0-106.1 360.0 -6.3 34.3 76.3