==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 17-JUL-12 3VVA . COMPND 2 MOLECULE: ALTERNATIVE OXIDASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR T.SHIBA,Y.KIDO,K.SAKAMOTO,D.K.INAOKA,C.TSUGE,R.TATSUMI,E.O.B . 1063 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 780 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 34 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 582 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 7 2 3 1 0 0 0 0 0 0 1 4 0 1 0 1 3 2 2 0 4 0 0 6 2 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 30 A T 0 0 189 0, 0.0 531,-0.1 0, 0.0 530,-0.0 0.000 360.0 360.0 360.0 -43.1 -32.1 21.0 5.4 2 31 A P - 0 0 67 0, 0.0 2,-0.9 0, 0.0 529,-0.1 0.090 360.0-140.2 -45.0 136.9 -35.4 22.7 3.9 3 32 A V + 0 0 120 2,-0.0 2,-0.7 5,-0.0 528,-0.0 -0.452 54.2 134.6 -96.3 59.5 -36.3 26.2 5.1 4 33 A W + 0 0 39 -2,-0.9 2,-0.2 527,-0.1 -1,-0.0 -0.876 28.9 126.4-114.0 96.6 -40.0 25.6 5.3 5 34 A G S >> S- 0 0 5 -2,-0.7 4,-1.6 296,-0.1 3,-1.3 -0.685 71.0 -60.2-139.7-165.4 -41.4 27.0 8.6 6 35 A H H 3> S+ 0 0 35 1,-0.3 4,-0.6 2,-0.2 304,-0.2 0.606 122.7 58.2 -65.5 -19.8 -44.1 29.3 10.1 7 36 A T H 34 S+ 0 0 66 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.826 114.8 39.5 -73.8 -32.9 -43.0 32.5 8.4 8 37 A Q H <4 S+ 0 0 44 -3,-1.3 3,-0.5 1,-0.2 -2,-0.2 0.714 111.2 59.6 -81.9 -26.1 -43.6 30.7 5.0 9 38 A L H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 498,-0.2 0.639 104.1 50.3 -78.6 -15.0 -46.7 29.0 6.5 10 39 A N S < S+ 0 0 13 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.461 86.1 111.8-100.6 -4.9 -48.3 32.4 7.2 11 40 A R - 0 0 72 -3,-0.5 3,-0.1 -4,-0.2 301,-0.1 -0.369 66.6-138.2 -65.3 146.0 -47.7 33.8 3.7 12 41 A L S S- 0 0 23 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.873 76.8 -25.4 -70.5 -38.3 -50.8 34.3 1.4 13 42 A S - 0 0 6 497,-0.1 -1,-0.3 498,-0.1 3,-0.1 -0.972 38.4-139.7-167.3 162.7 -49.0 32.9 -1.7 14 43 A F >> + 0 0 15 -2,-0.3 3,-1.4 493,-0.3 4,-1.0 0.001 61.5 125.9-120.9 23.7 -45.6 32.3 -3.3 15 44 A L T 34 + 0 0 28 1,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.747 69.0 60.5 -48.7 -28.4 -46.9 33.3 -6.8 16 45 A E T 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.769 98.0 53.3 -80.6 -29.4 -44.0 35.8 -6.9 17 46 A T T X4 S+ 0 0 45 -3,-1.4 3,-2.3 1,-0.2 -1,-0.2 0.760 86.2 90.2 -74.1 -24.6 -41.1 33.2 -6.6 18 47 A V G >< S+ 0 0 10 -4,-1.0 3,-0.9 1,-0.3 506,-0.2 0.789 80.5 54.2 -43.4 -46.0 -42.5 31.2 -9.5 19 48 A P G 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.762 108.0 52.7 -63.9 -21.3 -40.6 33.1 -12.3 20 49 A V G < S+ 0 0 124 -3,-2.3 -2,-0.1 -4,-0.2 -3,-0.0 -0.261 80.8 105.2-113.0 45.1 -37.2 32.4 -10.5 21 50 A V < - 0 0 18 -3,-0.9 503,-0.2 503,-0.0 507,-0.0 -0.992 67.9-123.6-122.4 126.9 -37.3 28.6 -10.0 22 51 A P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.206 11.5-128.1 -66.3 159.6 -35.1 26.4 -12.2 23 52 A L + 0 0 108 501,-0.0 2,-0.4 3,-0.0 362,-0.0 -0.620 38.8 172.9-108.1 64.1 -36.6 23.6 -14.3 24 53 A R > - 0 0 78 -2,-0.6 3,-1.9 1,-0.1 4,-0.3 -0.635 35.3-131.0 -74.7 128.1 -34.2 20.9 -13.1 25 54 A V G > S+ 0 0 19 -2,-0.4 3,-2.5 1,-0.3 4,-0.2 0.824 97.6 72.7 -57.2 -38.5 -35.4 17.6 -14.5 26 55 A S G > S+ 0 0 44 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.585 85.4 69.7 -52.4 -13.1 -35.4 15.6 -11.2 27 56 A D G < S+ 0 0 12 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.768 74.1 85.0 -77.1 -25.1 -38.5 17.6 -10.1 28 57 A E G < S+ 0 0 8 -3,-2.5 358,-0.3 -4,-0.3 2,-0.3 0.741 102.4 19.8 -47.2 -29.4 -40.7 15.8 -12.7 29 58 A S S < S- 0 0 6 -3,-0.6 4,-0.1 -4,-0.2 103,-0.0 -0.939 88.0 -94.0-141.3 158.9 -41.1 13.0 -10.2 30 59 A S - 0 0 11 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.049 45.5-102.1 -57.7 172.0 -40.9 12.1 -6.5 31 60 A E S S+ 0 0 96 1,-0.2 2,-2.0 2,-0.1 -1,-0.1 0.351 93.4 104.8 -88.2 6.3 -37.7 10.6 -5.0 32 61 A D + 0 0 55 2,-0.0 -1,-0.2 96,-0.0 -2,-0.1 -0.327 57.0 165.0 -77.4 56.5 -39.1 7.1 -4.8 33 62 A R - 0 0 63 -2,-2.0 2,-0.2 1,-0.1 185,-0.1 -0.439 39.5-112.2 -75.9 145.8 -36.9 6.3 -7.8 34 63 A P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.562 22.4-152.6 -78.5 145.7 -36.1 2.8 -8.8 35 64 A T + 0 0 124 -2,-0.2 2,-0.3 234,-0.1 234,-0.1 -0.923 20.3 175.5-121.5 102.9 -32.6 1.5 -8.5 36 65 A W - 0 0 33 -2,-0.5 2,-0.6 182,-0.3 234,-0.1 -0.838 27.8-137.8-109.5 147.2 -31.6 -1.3 -10.9 37 66 A S >> - 0 0 64 -2,-0.3 4,-2.7 1,-0.2 3,-0.9 -0.916 15.5-146.6-101.1 116.9 -28.3 -3.0 -11.5 38 67 A L H 3> S+ 0 0 54 -2,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.912 97.7 48.1 -56.3 -49.8 -27.8 -3.4 -15.2 39 68 A P H 34 S+ 0 0 103 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.758 116.4 46.3 -61.9 -23.7 -25.9 -6.7 -15.0 40 69 A D H X4 S+ 0 0 46 -3,-0.9 3,-0.9 2,-0.1 -2,-0.2 0.893 114.7 42.1 -81.9 -46.6 -28.6 -8.1 -12.7 41 70 A I H >< S+ 0 0 0 -4,-2.7 3,-2.6 1,-0.2 -3,-0.2 0.777 94.4 84.9 -73.7 -26.1 -31.8 -7.0 -14.5 42 71 A E T 3< S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.1 0.859 89.5 51.8 -31.3 -48.1 -30.0 -8.1 -17.7 43 72 A N T < S+ 0 0 94 -3,-0.9 -1,-0.3 -4,-0.3 2,-0.2 -0.015 76.4 135.6 -95.0 31.4 -31.3 -11.6 -16.9 44 73 A V < - 0 0 5 -3,-2.6 2,-0.3 1,-0.0 228,-0.1 -0.520 41.2-159.2 -67.5 145.0 -35.0 -10.5 -16.4 45 74 A A - 0 0 45 226,-0.2 2,-0.7 -2,-0.2 144,-0.1 -0.814 21.6 -91.1-138.0 170.1 -37.2 -13.1 -18.2 46 75 A I + 0 0 90 -2,-0.3 2,-0.2 142,-0.1 139,-0.1 -0.734 47.1 171.6 -90.5 115.2 -40.5 -14.0 -19.8 47 76 A T - 0 0 27 -2,-0.7 2,-0.3 138,-0.1 142,-0.1 -0.686 18.9-156.7-115.5 163.6 -43.0 -15.5 -17.4 48 77 A H - 0 0 95 -2,-0.2 2,-0.6 2,-0.0 229,-0.1 -0.931 8.4-147.9-147.4 123.2 -46.7 -16.5 -17.6 49 78 A K - 0 0 18 -2,-0.3 136,-0.0 228,-0.1 133,-0.0 -0.831 26.3-118.7 -97.5 122.4 -49.1 -16.9 -14.7 50 79 A K - 0 0 156 -2,-0.6 2,-0.1 1,-0.1 7,-0.0 -0.302 26.0-119.4 -61.3 126.6 -51.8 -19.4 -15.1 51 80 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.427 23.0-160.3 -61.8 140.9 -55.4 -18.0 -15.0 52 81 A N - 0 0 88 -2,-0.1 2,-0.1 0, 0.0 -2,-0.0 0.906 56.7 -12.1 -96.5 -49.7 -57.4 -19.6 -12.1 53 82 A G S > S- 0 0 32 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.370 91.9 -59.4-129.8-149.0 -61.1 -19.1 -12.8 54 83 A L H > S+ 0 0 137 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.928 128.2 47.3 -68.7 -47.1 -63.5 -17.2 -15.1 55 84 A V H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 111.7 50.6 -63.9 -44.0 -62.5 -13.6 -14.1 56 85 A D H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 115.3 44.5 -56.3 -44.3 -58.7 -14.5 -14.5 57 86 A T H X S+ 0 0 52 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.953 109.4 53.4 -67.4 -51.9 -59.5 -15.9 -17.9 58 87 A L H X S+ 0 0 81 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.929 112.6 48.3 -44.7 -48.9 -61.8 -13.1 -19.0 59 88 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.926 111.4 48.2 -57.4 -50.2 -58.8 -10.8 -18.1 60 89 A Y H X S+ 0 0 54 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.829 110.6 50.5 -65.3 -36.3 -56.3 -12.9 -20.0 61 90 A R H X S+ 0 0 163 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.926 106.4 53.8 -69.1 -46.0 -58.4 -13.1 -23.2 62 91 A S H X S+ 0 0 32 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.822 109.8 48.9 -59.6 -30.6 -59.0 -9.4 -23.4 63 92 A V H X S+ 0 0 4 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.849 113.8 45.2 -75.9 -33.7 -55.2 -8.8 -23.2 64 93 A R H X S+ 0 0 109 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.845 114.7 50.1 -74.8 -32.4 -54.6 -11.3 -25.9 65 94 A T H X S+ 0 0 68 -4,-3.1 4,-2.3 2,-0.2 3,-0.2 0.977 113.2 45.0 -62.8 -58.7 -57.4 -9.7 -27.8 66 95 A C H X S+ 0 0 63 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.860 112.4 51.3 -53.4 -43.8 -56.0 -6.2 -27.4 67 96 A R H X S+ 0 0 39 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.887 111.4 48.5 -62.7 -39.4 -52.4 -7.4 -28.3 68 97 A W H X S+ 0 0 173 -4,-1.5 4,-1.0 -3,-0.2 -2,-0.2 0.897 114.4 43.4 -70.2 -46.1 -53.7 -9.0 -31.5 69 98 A L H >X S+ 0 0 63 -4,-2.3 4,-3.2 2,-0.2 3,-1.2 0.990 117.2 46.0 -57.4 -62.2 -55.7 -6.0 -32.7 70 99 A F H 3X S+ 0 0 45 -4,-2.3 4,-1.5 1,-0.3 6,-0.3 0.817 111.8 51.5 -53.7 -39.2 -53.0 -3.5 -31.8 71 100 A D H 3< S+ 0 0 30 -4,-2.0 6,-1.3 -5,-0.2 5,-0.5 0.748 117.6 39.0 -72.1 -25.2 -50.3 -5.6 -33.4 72 101 A T H X< S+ 0 0 50 -3,-1.2 3,-1.1 -4,-1.0 -2,-0.2 0.877 117.4 44.5 -93.2 -45.2 -52.2 -5.9 -36.7 73 102 A F H 3< S+ 0 0 166 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.808 114.2 52.2 -69.5 -28.3 -53.8 -2.4 -37.0 74 103 A S T 3< S- 0 0 50 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 0.296 105.4-129.6 -91.2 8.5 -50.5 -0.8 -36.1 75 104 A L < + 0 0 115 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.636 64.3 137.8 56.6 17.3 -48.6 -2.8 -38.7 76 105 A Y + 0 0 41 -5,-0.5 -1,-0.1 -6,-0.3 -4,-0.1 0.807 61.9 68.4 -58.7 -28.9 -45.9 -3.8 -36.1 77 106 A R S S+ 0 0 150 -6,-1.3 2,-0.2 -5,-0.0 -1,-0.2 0.969 95.7 38.0 -57.5 -74.1 -46.1 -7.3 -37.7 78 107 A F S S+ 0 0 171 -6,-0.1 2,-0.1 2,-0.0 -1,-0.0 -0.583 93.8 49.3 -95.6 155.2 -44.6 -7.1 -41.3 79 108 A G S S- 0 0 53 -2,-0.2 2,-0.2 2,-0.0 3,-0.1 -0.253 97.7 -63.8 97.1 161.1 -41.6 -5.1 -42.3 80 109 A S - 0 0 103 -2,-0.1 -2,-0.0 1,-0.1 123,-0.0 -0.522 61.7 -88.4 -78.7 150.1 -38.3 -5.2 -40.4 81 110 A I - 0 0 35 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.254 53.7-172.4 -46.5 136.0 -38.0 -3.9 -36.8 82 111 A T > - 0 0 58 1,-0.2 4,-1.8 121,-0.1 5,-0.1 -0.980 38.8-127.1-135.2 156.0 -37.2 -0.2 -36.7 83 112 A E H > S+ 0 0 28 -2,-0.3 4,-2.2 2,-0.2 3,-0.5 0.969 112.9 54.9 -55.1 -52.6 -36.3 2.4 -34.2 84 113 A S H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.897 110.5 42.4 -49.3 -52.4 -39.2 4.5 -35.5 85 114 A K H > S+ 0 0 45 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.739 112.7 53.7 -78.4 -20.6 -41.8 1.8 -35.0 86 115 A V H X S+ 0 0 2 -4,-1.8 4,-2.9 -3,-0.5 5,-0.2 0.985 114.5 38.1 -66.9 -61.3 -40.5 0.7 -31.6 87 116 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.840 115.0 54.0 -64.3 -36.0 -40.6 4.1 -30.0 88 117 A S H X S+ 0 0 42 -4,-2.2 4,-2.0 -5,-0.4 -1,-0.2 0.932 112.6 45.9 -61.2 -44.0 -43.8 5.1 -31.7 89 118 A R H X S+ 0 0 14 -4,-1.2 4,-2.3 -5,-0.2 5,-0.3 0.990 114.5 45.2 -59.3 -59.0 -45.4 1.9 -30.3 90 119 A C H X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.816 109.8 57.8 -58.9 -38.0 -44.0 2.4 -26.8 91 120 A L H X S+ 0 0 2 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.959 110.7 40.5 -51.3 -56.8 -45.1 6.0 -26.9 92 121 A F H < S+ 0 0 29 -4,-2.0 3,-0.4 -3,-0.3 4,-0.3 0.909 118.3 45.7 -64.0 -46.5 -48.8 5.2 -27.6 93 122 A L H >X S+ 0 0 66 -4,-2.3 3,-2.0 1,-0.2 4,-0.9 0.878 103.3 62.5 -68.8 -40.3 -49.0 2.3 -25.2 94 123 A E H 3X S+ 0 0 9 -4,-2.1 4,-0.9 -5,-0.3 3,-0.4 0.814 93.7 65.2 -57.2 -28.3 -47.2 4.0 -22.3 95 124 A T H 3< S+ 0 0 2 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.756 107.5 40.9 -62.9 -22.3 -50.0 6.6 -22.2 96 125 A V H <4 S+ 0 0 25 -3,-2.0 3,-0.4 -4,-0.3 -1,-0.2 0.525 103.2 66.0-106.4 -9.6 -52.5 3.8 -21.2 97 126 A A H < S+ 0 0 13 -4,-0.9 4,-0.5 -3,-0.4 -2,-0.2 0.663 95.1 62.7 -78.7 -21.0 -50.1 2.1 -18.7 98 127 A G S < S+ 0 0 0 -4,-0.9 4,-0.4 35,-0.2 -1,-0.2 0.617 92.8 64.0 -75.8 -14.3 -50.3 5.2 -16.6 99 128 A V S >> S+ 0 0 1 -3,-0.4 4,-1.5 2,-0.1 3,-0.9 0.934 88.3 60.6 -83.8 -48.3 -54.0 5.0 -15.9 100 129 A P H >> S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.904 103.3 49.7 -43.5 -62.2 -54.5 1.7 -13.9 101 130 A G H 3> S+ 0 0 0 -4,-0.5 4,-1.7 1,-0.3 5,-0.2 0.759 110.6 52.6 -54.9 -27.9 -52.4 2.6 -10.9 102 131 A M H <> S+ 0 0 2 -3,-0.9 4,-1.3 -4,-0.4 -1,-0.3 0.792 109.7 46.8 -80.3 -30.0 -54.2 5.9 -10.6 103 132 A V H S+ 0 0 2 -4,-2.6 5,-0.6 1,-0.2 -1,-0.2 0.847 113.1 49.1 -44.2 -38.1 -59.7 4.2 3.3 113 142 A L H <5S+ 0 0 1 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.847 112.4 42.5 -76.3 -36.5 -61.6 7.6 3.7 114 143 A R H <5S+ 0 0 57 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.1 0.735 124.4 31.8 -92.4 -22.6 -65.2 6.4 4.0 115 144 A Y T <5S- 0 0 108 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.1 0.291 104.3-130.2-108.2 3.3 -64.9 3.4 6.2 116 145 A M T 5 + 0 0 5 -5,-0.4 2,-0.2 -4,-0.2 -3,-0.2 0.849 54.6 147.0 56.1 45.4 -62.0 5.0 8.0 117 146 A T < - 0 0 56 -5,-0.6 2,-0.4 -6,-0.3 -1,-0.2 -0.708 54.0 -99.3-111.9 162.1 -59.7 2.0 7.8 118 147 A R - 0 0 58 -2,-0.2 175,-0.0 1,-0.1 -5,-0.0 -0.660 21.3-154.8 -83.4 130.3 -55.9 1.6 7.4 119 148 A D - 0 0 4 -2,-0.4 3,-0.4 174,-0.3 -1,-0.1 0.806 22.1-142.7 -76.8 -31.8 -54.8 0.9 3.8 120 149 A K - 0 0 61 1,-0.2 140,-2.6 139,-0.1 173,-0.2 0.869 64.8 -49.7 69.3 41.1 -51.6 -0.9 4.9 121 150 A G S S+ 0 0 8 171,-0.2 4,-0.4 172,-0.2 -1,-0.2 0.407 105.9 114.4 88.8 0.5 -49.3 0.4 2.1 122 151 A W S >> S+ 0 0 0 -3,-0.4 4,-1.3 1,-0.2 3,-1.2 0.930 72.0 53.3 -69.4 -48.4 -51.4 -0.3 -1.0 123 152 A I H 3> S+ 0 0 9 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.897 105.8 51.8 -56.5 -47.2 -52.1 3.2 -2.2 124 153 A N H 3> S+ 0 0 40 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.609 107.5 55.0 -69.9 -12.6 -48.4 4.4 -2.3 125 154 A T H <> S+ 0 0 25 -3,-1.2 4,-1.0 -4,-0.4 -1,-0.2 0.823 109.4 44.1 -82.5 -38.9 -47.4 1.4 -4.4 126 155 A L H X S+ 0 0 3 -4,-1.3 4,-2.9 -3,-0.3 -2,-0.2 0.856 112.1 51.6 -80.1 -37.4 -49.9 2.0 -7.2 127 156 A L H X S+ 0 0 17 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.780 108.0 51.8 -72.1 -28.9 -49.3 5.7 -7.4 128 157 A V H X S+ 0 0 30 -4,-0.5 4,-2.5 -5,-0.2 -1,-0.2 0.784 111.2 49.6 -74.4 -27.2 -45.5 5.2 -7.7 129 158 A E H X S+ 0 0 8 -4,-1.0 4,-2.8 2,-0.2 5,-0.3 0.979 110.7 47.8 -66.8 -63.0 -46.3 2.7 -10.6 130 159 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.911 116.5 45.5 -38.2 -54.9 -48.6 5.2 -12.3 131 160 A E H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.936 112.0 50.4 -56.1 -51.3 -45.8 7.8 -11.8 132 161 A N H < S+ 0 0 7 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.773 112.6 47.2 -62.2 -29.9 -43.1 5.4 -13.0 133 162 A E H X S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.798 108.3 54.5 -79.6 -32.0 -45.2 4.6 -16.1 134 163 A R H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.900 105.1 54.0 -65.1 -37.8 -45.8 8.3 -16.7 135 164 A M H X S+ 0 0 3 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.724 102.4 59.0 -67.0 -20.7 -42.0 8.7 -16.6 136 165 A H H > S+ 0 0 0 -4,-0.4 4,-1.6 -5,-0.2 -1,-0.2 0.887 107.9 44.5 -70.6 -42.0 -42.0 6.0 -19.3 137 166 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 -43,-0.3 -2,-0.2 0.941 110.3 55.6 -60.0 -48.8 -44.1 8.3 -21.5 138 167 A M H < S+ 0 0 1 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.831 107.7 49.3 -58.3 -36.6 -41.9 11.3 -20.6 139 168 A T H >X S+ 0 0 0 -4,-1.5 3,-0.9 2,-0.2 4,-0.6 0.922 111.4 46.1 -69.9 -48.0 -38.7 9.5 -21.8 140 169 A F H >X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.3 3,-0.7 0.822 105.1 61.2 -68.0 -30.7 -40.2 8.4 -25.2 141 170 A I H 3< S+ 0 0 25 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.686 101.4 54.4 -68.9 -17.1 -41.6 11.9 -25.8 142 171 A E H <4 S+ 0 0 89 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.697 115.1 41.6 -78.3 -18.6 -37.9 13.0 -25.6 143 172 A L H << S+ 0 0 6 -3,-0.7 2,-0.4 -4,-0.6 -2,-0.2 0.845 128.4 14.1 -97.7 -44.6 -37.2 10.4 -28.4 144 173 A R < - 0 0 93 -4,-3.2 -1,-0.3 -57,-0.1 -2,-0.0 -0.975 62.5-157.5-137.8 125.6 -40.2 10.8 -30.8 145 174 A Q - 0 0 119 -2,-0.4 -4,-0.1 -3,-0.1 -57,-0.0 -0.905 25.6-138.5-103.7 119.3 -42.7 13.6 -30.8 146 175 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.087 8.1-121.0 -80.2 175.0 -45.9 12.5 -32.5 147 176 A G >> - 0 0 42 1,-0.0 4,-1.4 0, 0.0 3,-1.0 -0.686 40.3 -79.9-114.7 170.6 -48.2 14.3 -34.9 148 177 A L H 3> S+ 0 0 134 1,-0.3 4,-2.1 -2,-0.2 5,-0.2 0.667 121.7 48.6 -45.3 -41.0 -51.9 15.3 -34.8 149 178 A P H 3> S+ 0 0 109 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.924 112.5 47.9 -70.1 -40.8 -53.6 12.0 -35.7 150 179 A L H <> S+ 0 0 54 -3,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.803 113.4 51.2 -63.7 -28.7 -51.6 9.9 -33.1 151 180 A R H X S+ 0 0 100 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.894 107.8 49.5 -76.4 -43.1 -52.3 12.6 -30.5 152 181 A V H X S+ 0 0 90 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.886 110.7 49.9 -66.2 -38.4 -56.1 12.7 -31.1 153 182 A S H X S+ 0 0 40 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.738 105.5 57.6 -74.4 -23.1 -56.3 8.9 -30.8 154 183 A I H X S+ 0 0 1 -4,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.852 106.8 50.0 -65.8 -40.1 -54.3 9.0 -27.5 155 184 A I H X S+ 0 0 66 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.884 112.4 45.2 -67.0 -43.4 -57.0 11.3 -26.1 156 185 A I H X S+ 0 0 96 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.846 108.6 58.6 -71.4 -30.8 -59.9 9.0 -27.2 157 186 A T H X S+ 0 0 25 -4,-1.6 4,-3.2 1,-0.2 5,-0.2 0.912 107.6 46.1 -61.8 -42.6 -57.9 6.0 -25.8 158 187 A Q H X S+ 0 0 11 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.866 108.4 55.8 -69.8 -38.1 -57.8 7.6 -22.4 159 188 A A H X S+ 0 0 67 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.971 117.1 36.2 -53.5 -55.2 -61.5 8.5 -22.5 160 189 A I H X S+ 0 0 109 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.941 120.4 45.5 -65.6 -50.6 -62.4 4.8 -23.2 161 190 A M H X S+ 0 0 42 -4,-3.2 4,-2.9 1,-0.3 5,-0.3 0.822 110.1 53.4 -71.5 -33.1 -59.7 3.2 -21.0 162 191 A Y H X S+ 0 0 42 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.3 0.874 111.8 47.6 -62.1 -37.9 -60.3 5.5 -18.0 163 192 A L H X S+ 0 0 113 -4,-1.3 4,-1.8 -5,-0.3 -2,-0.2 0.874 115.8 43.7 -73.4 -35.5 -64.0 4.6 -18.2 164 193 A F H X S+ 0 0 70 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.954 116.6 43.6 -74.8 -50.1 -63.2 0.9 -18.5 165 194 A L H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.904 114.9 51.7 -60.6 -42.5 -60.5 0.7 -15.7 166 195 A L H X S+ 0 0 40 -4,-1.8 4,-1.9 -5,-0.3 3,-0.3 0.989 117.4 35.4 -59.0 -64.0 -62.6 2.9 -13.4 167 196 A V H X S+ 0 0 76 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.715 116.9 55.3 -67.2 -23.3 -65.8 0.8 -13.7 168 197 A A H X S+ 0 0 14 -4,-2.4 4,-2.9 -5,-0.2 8,-0.3 0.895 108.3 48.2 -72.1 -39.4 -63.9 -2.5 -13.9 169 198 A Y H < S+ 0 0 11 -4,-2.4 -2,-0.2 -3,-0.3 -3,-0.1 0.889 107.9 54.6 -66.2 -42.9 -62.0 -1.7 -10.6 170 199 A V H < S+ 0 0 93 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.916 119.9 31.8 -56.7 -45.3 -65.2 -0.8 -8.7 171 200 A I H < S+ 0 0 140 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.839 140.7 8.2 -85.0 -39.8 -66.9 -4.2 -9.6 172 201 A S X + 0 0 26 -4,-2.9 4,-1.7 -5,-0.2 3,-0.5 -0.613 54.2 174.7-144.3 88.7 -63.8 -6.4 -9.7 173 202 A P H > S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 -4,-0.1 0.709 88.5 60.7 -68.7 -12.9 -60.5 -5.0 -8.5 174 203 A R H > S+ 0 0 54 2,-0.2 4,-3.6 3,-0.2 5,-0.2 0.910 100.9 53.9 -71.6 -42.4 -59.1 -8.5 -9.0 175 204 A F H > S+ 0 0 25 -3,-0.5 4,-3.3 -7,-0.2 5,-0.1 0.960 111.8 43.0 -53.8 -54.8 -60.0 -8.2 -12.7 176 205 A V H X S+ 0 0 3 -4,-1.7 4,-2.2 -8,-0.3 5,-0.3 0.892 116.1 48.1 -64.7 -37.6 -58.1 -5.0 -13.1 177 206 A H H X S+ 0 0 2 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.912 114.1 46.4 -68.2 -38.6 -55.2 -6.3 -11.1 178 207 A R H X S+ 0 0 0 -4,-3.6 4,-2.3 2,-0.2 -2,-0.2 0.936 110.2 56.2 -59.5 -48.7 -55.2 -9.5 -13.1 179 208 A F H X S+ 0 0 11 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.861 109.9 42.0 -53.8 -49.4 -55.5 -7.4 -16.3 180 209 A V H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.843 107.6 64.3 -67.6 -36.6 -52.3 -5.4 -15.6 181 210 A G H X S+ 0 0 0 -4,-1.8 4,-1.1 63,-0.3 -2,-0.2 0.980 114.1 31.2 -39.9 -65.3 -50.7 -8.7 -14.5 182 211 A Y H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.868 112.4 62.6 -71.0 -42.7 -51.1 -9.9 -18.1 183 212 A L H >X S+ 0 0 53 -4,-3.1 4,-1.5 1,-0.2 3,-0.6 0.943 108.4 45.0 -39.0 -57.5 -50.7 -6.4 -19.7 184 213 A E H 3X S+ 0 0 4 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.768 102.5 64.4 -62.7 -30.0 -47.1 -6.4 -18.2 185 214 A E H 3X S+ 0 0 5 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.2 0.885 109.0 42.2 -59.7 -37.6 -46.5 -10.0 -19.3 186 215 A E H X S+ 0 0 66 -4,-1.4 4,-2.1 1,-0.2 3,-0.6 0.988 109.2 49.0 -54.8 -67.3 -42.1 -9.7 -24.1 190 219 A T H 3X S+ 0 0 14 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.799 112.6 49.0 -43.3 -46.0 -42.0 -6.7 -26.4 191 220 A Y H 3X S+ 0 0 11 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.885 107.3 50.5 -68.9 -41.9 -39.0 -5.2 -24.6 192 221 A T H S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 6,-1.3 0.844 110.4 46.5 -63.2 -39.6 -32.9 -7.2 -31.8 198 227 A I H ><5S+ 0 0 25 -4,-1.5 3,-1.8 3,-0.2 -2,-0.2 0.925 112.1 51.4 -65.1 -46.9 -30.1 -4.8 -30.8 199 228 A D H 3<5S+ 0 0 99 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.745 112.7 45.3 -62.6 -26.8 -27.9 -7.8 -29.7 200 229 A E T 3<5S- 0 0 110 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.125 112.8-121.8-103.5 16.1 -28.5 -9.5 -33.1 201 230 A G T < 5S+ 0 0 32 -3,-1.8 3,-0.4 2,-0.2 -3,-0.2 0.598 80.0 119.3 58.2 20.3 -27.8 -6.2 -34.9 202 231 A R S > - 0 0 13 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.115 18.1-121.3 -58.4 152.3 -32.4 12.0 -22.3 212 241 A E H 3> S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.851 111.1 63.5 -62.2 -36.3 -31.7 13.8 -19.1 213 242 A V H 3> S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.845 109.4 39.1 -53.1 -37.3 -35.1 12.8 -17.7 214 243 A A H <> S+ 0 0 0 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.757 110.5 58.2 -89.3 -29.8 -34.1 9.1 -17.9 215 244 A R H <>S+ 0 0 75 -4,-1.6 5,-2.2 2,-0.2 4,-0.2 0.893 113.9 38.3 -64.1 -43.7 -30.5 9.6 -16.7 216 245 A V H ><5S+ 0 0 38 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.983 116.9 49.8 -72.2 -56.4 -31.6 11.2 -13.4 217 246 A Y H 3<5S+ 0 0 5 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.763 124.8 28.6 -52.8 -36.9 -34.6 8.9 -12.8 218 247 A W T 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -185,-0.1 -182,-0.3 0.252 106.2-124.1-110.8 9.7 -32.7 5.7 -13.4 219 248 A N T < 5 + 0 0 146 -3,-1.4 2,-0.4 -4,-0.2 -3,-0.2 0.928 46.9 174.5 48.8 60.5 -29.4 7.1 -12.2 220 249 A L < - 0 0 22 -5,-2.2 -1,-0.2 -6,-0.2 4,-0.1 -0.845 31.5-120.8-106.3 131.6 -27.5 6.2 -15.4 221 250 A S > - 0 0 84 -2,-0.4 3,-1.2 1,-0.1 -1,-0.0 -0.359 36.1-103.1 -65.8 148.7 -23.9 7.3 -16.2 222 251 A K T 3 S+ 0 0 178 1,-0.3 -12,-0.2 -2,-0.1 2,-0.1 0.749 116.5 67.9 -44.5 -32.9 -23.4 9.4 -19.3 223 252 A N T 3 S+ 0 0 145 -14,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.054 72.9 126.8 -84.1 27.2 -22.1 6.3 -21.2 224 253 A A < - 0 0 8 -3,-1.2 -14,-0.6 -2,-0.1 2,-0.1 -0.678 45.6-149.9 -89.3 141.1 -25.5 4.6 -21.2 225 254 A T > - 0 0 51 -2,-0.3 4,-1.8 -16,-0.1 5,-0.1 -0.309 31.9 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> S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.832 106.1 49.1 -60.0 -39.4 -52.9 69.4 18.7 924 153 D N H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.942 106.8 51.0 -72.9 -49.3 -49.8 69.0 16.6 925 154 D T H X S+ 0 0 6 -4,-0.7 4,-1.0 1,-0.2 -1,-0.2 0.896 114.7 47.0 -54.1 -39.5 -48.4 72.6 16.8 926 155 D L H X S+ 0 0 3 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.863 110.6 51.1 -71.3 -37.4 -48.7 72.3 20.6 927 156 D L H X S+ 0 0 22 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.816 110.7 47.8 -71.8 -32.2 -47.1 68.9 20.7 928 157 D V H X S+ 0 0 28 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.684 109.3 55.9 -79.4 -18.8 -44.1 70.0 18.6 929 158 D E H X S+ 0 0 1 -4,-1.0 4,-2.9 -5,-0.3 5,-0.2 0.972 109.4 45.4 -66.2 -58.2 -43.9 73.0 21.0 930 159 D A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.883 117.5 43.8 -53.4 -44.8 -43.7 70.6 23.9 931 160 D E H X S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.965 111.4 53.6 -64.4 -52.2 -41.0 68.5 22.1 932 161 D N H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.908 110.7 46.5 -48.4 -49.0 -39.1 71.5 20.9 933 162 D E H >X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 3,-1.1 0.981 111.3 52.7 -57.6 -53.9 -38.9 72.8 24.5 934 163 D R H 3X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.800 107.2 52.2 -50.8 -33.7 -37.8 69.3 25.6 935 164 D M H 3X S+ 0 0 1 -4,-2.6 4,-0.8 2,-0.2 -1,-0.3 0.778 105.1 55.0 -76.6 -26.8 -35.1 69.4 22.9 936 165 D H H < S+ 0 0 0 -4,-0.8 3,-0.9 -3,-0.3 -1,-0.2 0.944 108.9 40.1 -72.4 -51.2 -29.4 70.5 24.9 940 169 D F H >X S+ 0 0 5 -4,-1.7 3,-2.7 1,-0.2 4,-0.9 0.861 103.4 67.7 -68.4 -37.0 -28.5 72.3 28.1 941 170 D I T 3< S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.571 90.1 65.9 -65.3 -8.5 -28.2 69.2 30.3 942 171 D E T <4 S+ 0 0 72 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.577 103.3 47.4 -82.1 -12.9 -25.1 68.2 28.3 943 172 D L T <4 S+ 0 0 26 -3,-2.7 2,-0.4 1,-0.2 -2,-0.2 0.733 112.4 48.1 -98.8 -27.1 -23.4 71.2 29.7 944 173 D R < - 0 0 70 -4,-0.9 -1,-0.2 -57,-0.1 -60,-0.0 -0.943 53.9-158.6-126.6 137.0 -24.3 70.8 33.4 945 174 D Q - 0 0 198 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.1 -0.877 33.5-157.8-106.9 94.1 -24.2 68.0 35.9 946 175 D P - 0 0 26 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.651 1.9-146.6 -91.8 124.2 -26.7 69.4 38.5 947 176 D G > - 0 0 47 -2,-0.4 4,-2.0 3,-0.1 3,-0.2 0.251 40.6 -67.3 -71.0-164.3 -26.9 68.3 42.1 948 177 D L H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.751 117.9 61.3 -65.0 -36.5 -29.7 67.8 44.6 949 178 D P H > S+ 0 0 107 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.971 115.9 33.5 -58.4 -52.0 -31.0 71.4 45.2 950 179 D L H > S+ 0 0 41 2,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.917 115.7 58.6 -67.0 -45.8 -32.0 71.9 41.5 951 180 D R H X S+ 0 0 136 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.916 109.5 42.8 -47.1 -55.0 -32.9 68.2 41.0 952 181 D V H X S+ 0 0 82 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.855 113.5 48.8 -64.9 -41.4 -35.6 68.2 43.8 953 182 D S H X S+ 0 0 41 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.744 105.8 59.3 -78.2 -21.2 -37.2 71.6 43.0 954 183 D I H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.921 109.6 44.9 -63.2 -44.7 -37.4 70.6 39.3 955 184 D I H X S+ 0 0 63 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.948 115.6 42.6 -65.8 -52.3 -39.6 67.7 40.4 956 185 D I H X S+ 0 0 92 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.731 112.7 55.5 -74.6 -17.9 -41.9 69.5 42.9 957 186 D T H X S+ 0 0 28 -4,-1.2 4,-4.1 2,-0.2 5,-0.4 0.913 104.4 52.3 -74.6 -45.6 -42.2 72.4 40.4 958 187 D Q H X S+ 0 0 16 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.979 113.5 45.4 -47.7 -58.3 -43.4 70.0 37.7 959 188 D A H X S+ 0 0 63 -4,-2.2 4,-1.3 1,-0.2 5,-0.2 0.934 116.8 46.0 -46.9 -55.0 -45.9 68.8 40.3 960 189 D I H X S+ 0 0 107 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.944 119.6 36.5 -56.8 -55.1 -46.7 72.5 41.2 961 190 D M H X S+ 0 0 38 -4,-4.1 4,-3.3 2,-0.2 5,-0.3 0.913 109.6 62.4 -70.5 -43.6 -47.1 73.9 37.6 962 191 D Y H X S+ 0 0 46 -4,-3.1 4,-2.5 -5,-0.4 -1,-0.2 0.937 108.1 40.8 -43.5 -67.7 -48.7 70.8 36.0 963 192 D L H X S+ 0 0 111 -4,-1.3 4,-2.6 -5,-0.2 -1,-0.2 0.840 115.1 53.4 -53.7 -38.8 -51.9 70.9 38.2 964 193 D F H X S+ 0 0 84 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.964 113.5 41.3 -59.8 -52.2 -52.0 74.8 37.9 965 194 D L H X S+ 0 0 2 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.774 113.5 57.2 -67.6 -26.5 -51.9 74.6 34.1 966 195 D L H X S+ 0 0 48 -4,-2.5 4,-1.0 -5,-0.3 -2,-0.2 0.958 111.4 38.3 -66.9 -53.8 -54.3 71.7 34.2 967 196 D V H X S+ 0 0 83 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.743 117.7 52.6 -71.0 -23.2 -57.1 73.5 36.2 968 197 D A H X S+ 0 0 15 -4,-1.6 4,-3.5 -5,-0.2 -1,-0.2 0.878 103.6 53.7 -80.5 -40.7 -56.5 76.7 34.3 969 198 D Y H < S+ 0 0 10 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.790 107.4 51.7 -67.4 -30.0 -56.7 75.3 30.7 970 199 D V H < S+ 0 0 96 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.823 119.2 37.1 -73.1 -30.9 -60.1 73.8 31.4 971 200 D I H < S+ 0 0 141 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.909 139.2 2.1 -88.5 -48.5 -61.4 77.1 32.7 972 201 D S X + 0 0 37 -4,-3.5 4,-1.6 1,-0.1 -1,-0.2 -0.715 53.7 176.0-142.8 88.0 -59.7 79.7 30.4 973 202 D P H > S+ 0 0 35 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.750 87.6 64.5 -59.6 -21.0 -57.5 78.2 27.6 974 203 D R H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.972 98.1 49.6 -61.9 -58.5 -57.2 81.9 26.7 975 204 D F H >> S+ 0 0 26 1,-0.2 4,-3.5 2,-0.2 3,-0.6 0.924 111.1 50.0 -44.8 -57.2 -55.4 82.8 29.9 976 205 D V H 3X S+ 0 0 4 -4,-1.6 4,-2.5 1,-0.3 -1,-0.2 0.826 111.9 46.9 -55.5 -39.2 -52.9 79.9 29.5 977 206 D H H 3X S+ 0 0 5 -4,-1.6 4,-1.3 -3,-0.4 71,-0.3 0.767 114.8 47.1 -77.4 -26.6 -52.1 80.9 25.9 978 207 D R H X S+ 0 0 16 -4,-3.5 4,-1.9 -5,-0.2 3,-1.6 0.993 113.0 42.7 -53.0 -69.5 -49.5 83.4 29.9 980 209 D V H 3X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.3 5,-0.2 0.865 107.7 65.2 -45.9 -41.8 -47.2 81.3 27.6 981 210 D G H 3X S+ 0 0 0 -4,-1.3 4,-0.8 1,-0.2 -1,-0.3 0.887 107.7 38.5 -44.8 -46.7 -47.4 84.2 25.2 982 211 D Y H S+ 0 0 5 -4,-2.3 5,-2.0 -5,-0.3 6,-1.7 0.853 108.1 50.6 -56.9 -38.3 -23.1 88.9 26.3 998 227 D I H ><5S+ 0 0 30 -4,-2.2 3,-1.0 4,-0.2 -2,-0.2 0.976 109.9 49.9 -60.6 -52.8 -21.2 86.6 24.0 999 228 D D H 3<5S+ 0 0 100 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.802 107.5 54.1 -58.4 -34.0 -20.5 89.5 21.5 1000 229 D E H 3<5S- 0 0 124 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.795 115.0-115.9 -66.6 -32.3 -19.2 91.7 24.3 1001 230 D G T <<5S+ 0 0 41 -4,-1.1 -3,-0.2 -3,-1.0 -2,-0.1 0.608 87.8 112.3 97.5 19.6 -16.7 89.0 25.3 1002 231 D R S - 0 0 5 0, 0.0 4,-2.0 0, 0.0 3,-0.2 -0.148 15.2-119.9 -61.9 150.7 -23.7 69.2 22.0 1012 241 D E H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.912 112.2 56.2 -49.6 -52.1 -24.3 66.2 19.6 1013 242 D V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 109.4 44.8 -45.2 -51.5 -28.1 66.5 20.2 1014 243 D A H > S+ 0 0 0 -3,-0.2 4,-2.8 1,-0.2 5,-0.3 0.906 106.8 56.1 -69.8 -45.2 -28.3 70.1 19.1 1015 244 D R H <>S+ 0 0 48 -4,-2.0 5,-2.3 1,-0.2 -1,-0.2 0.851 115.6 39.0 -58.4 -37.6 -26.1 70.0 16.0 1016 245 D V H <5S+ 0 0 44 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.877 115.3 52.7 -79.3 -37.9 -28.4 67.3 14.5 1017 246 D Y H <5S+ 0 0 3 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.897 122.8 27.1 -67.1 -47.4 -31.6 68.8 15.8 1018 247 D W T <5S- 0 0 14 -4,-2.8 -182,-0.3 -185,-0.1 -1,-0.2 0.330 110.6-122.5 -92.9 6.9 -31.1 72.3 14.3 1019 248 D N T 5 + 0 0 139 -5,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.943 44.8 178.2 48.0 58.6 -28.9 70.8 11.6 1020 249 D L < - 0 0 19 -5,-2.3 -1,-0.2 -6,-0.3 2,-0.1 -0.628 32.8-112.1 -85.4 145.4 -25.9 72.9 12.4 1021 250 D S > - 0 0 83 -2,-0.3 3,-2.3 1,-0.1 -1,-0.1 -0.480 38.1-105.5 -70.3 154.2 -22.6 72.5 10.5 1022 251 D K T 3 S+ 0 0 165 1,-0.3 -12,-0.2 -2,-0.1 -1,-0.1 0.711 118.4 54.4 -61.1 -21.3 -19.9 71.0 12.7 1023 252 D N T 3 S+ 0 0 145 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.432 78.1 130.9 -93.0 -2.5 -18.1 74.4 13.0 1024 253 D A < - 0 0 19 -3,-2.3 -14,-0.1 1,-0.1 -4,-0.1 -0.191 54.3-122.0 -57.8 144.7 -21.1 76.3 14.2 1025 254 D T > - 0 0 71 1,-0.1 4,-0.8 -16,-0.0 -1,-0.1 -0.182 20.0-109.5 -83.3 171.2 -20.6 78.5 17.4 1026 255 D F H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.691 121.6 62.2 -69.5 -20.1 -22.4 78.5 20.7 1027 256 D R H > S+ 0 0 49 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.936 99.3 52.2 -67.6 -46.9 -23.9 81.8 19.5 1028 257 D D H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.778 106.5 56.0 -57.8 -30.6 -25.5 79.9 16.7 1029 258 D L H X S+ 0 0 0 -4,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.941 111.8 39.7 -65.6 -51.6 -26.9 77.5 19.4 1030 259 D I H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.881 111.6 61.5 -67.5 -37.5 -28.6 80.4 21.3 1031 260 D N H X S+ 0 0 0 -4,-3.5 4,-1.3 1,-0.2 -2,-0.2 0.937 107.1 42.1 -47.2 -56.0 -29.6 81.9 17.9 1032 261 D V H X S+ 0 0 4 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.772 115.3 49.6 -73.4 -25.2 -31.7 78.9 16.9 1033 262 D I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.922 109.4 49.7 -77.8 -42.9 -33.3 78.5 20.4 1034 263 D R H X S+ 0 0 19 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.780 110.9 53.4 -65.6 -25.8 -34.2 82.1 20.7 1035 264 D A H X S+ 0 0 0 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.2 0.913 108.3 47.9 -71.0 -47.3 -35.7 81.7 17.2 1036 265 D D H X S+ 0 0 4 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.880 109.7 53.8 -57.2 -41.8 -37.8 78.7 18.4 1037 266 D E H >X S+ 0 0 3 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.890 105.1 53.6 -64.6 -40.2 -38.9 80.6 21.5 1038 267 D A H >X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 3,-1.0 0.875 101.0 61.3 -59.6 -38.5 -40.2 83.5 19.2 1039 268 D E H 3X S+ 0 0 21 -4,-1.6 4,-1.8 1,-0.3 -1,-0.2 0.801 103.5 48.6 -60.5 -29.1 -42.2 81.0 17.2 1040 269 D H H S+ 0 0 0 -4,-2.6 5,-4.0 1,-0.2 6,-0.3 0.877 106.2 47.4 -65.1 -41.9 -58.5 83.0 18.8 1051 280 D H H ><5S+ 0 0 28 -4,-2.2 3,-1.7 4,-0.3 -1,-0.2 0.881 107.2 61.6 -61.7 -36.6 -60.3 81.9 22.0 1052 281 D E H 3<5S+ 0 0 53 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.893 109.9 37.5 -56.7 -47.6 -61.1 85.5 22.7 1053 282 D K T 3<5S- 0 0 121 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.045 122.6-103.8 -95.0 24.6 -63.1 86.0 19.5 1054 283 D R T < 5S+ 0 0 190 -3,-1.7 -3,-0.2 1,-0.1 3,-0.2 0.913 82.3 132.6 52.0 49.1 -64.6 82.4 19.8 1055 284 D L > < + 0 0 39 -5,-4.0 3,-1.6 -8,-0.2 -4,-0.3 -0.006 22.9 118.8-111.6 25.2 -62.3 81.0 17.1 1056 285 D Q T 3 S+ 0 0 72 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.718 77.2 49.5 -63.3 -24.2 -61.2 78.0 19.1 1057 286 D N T 3 S+ 0 0 86 -3,-0.2 -1,-0.3 -7,-0.1 2,-0.1 0.090 91.6 108.8-101.7 17.8 -62.7 75.7 16.4 1058 287 D S S < S- 0 0 34 -3,-1.6 2,-0.1 1,-0.1 -3,-0.0 -0.429 81.9 -78.4 -92.0 169.6 -61.0 77.4 13.5 1059 288 D V - 0 0 12 -509,-0.2 -1,-0.1 -506,-0.2 -138,-0.1 -0.394 49.8-108.3 -63.9 138.7 -58.2 76.2 11.2 1060 289 D N >> - 0 0 0 -140,-2.1 3,-1.8 1,-0.2 4,-0.7 -0.635 26.4-148.6 -70.7 106.4 -54.8 76.5 12.8 1061 290 D P H >> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.777 90.8 58.5 -50.2 -30.7 -53.3 79.3 10.8 1062 291 D F H 34 S+ 0 0 0 1,-0.2 -141,-0.1 2,-0.2 -2,-0.0 0.662 87.4 71.0 -80.2 -21.3 -49.7 77.9 11.1 1063 292 D V H <4 S+ 0 0 37 -3,-1.8 3,-0.2 -143,-0.2 -1,-0.2 0.890 113.3 31.0 -56.8 -41.9 -50.4 74.5 9.5 1064 293 D V H << S+ 0 0 37 -4,-0.7 2,-2.3 -3,-0.5 -2,-0.2 0.931 114.1 61.5 -84.1 -52.8 -50.7 76.3 6.2 1065 294 D L < 0 0 60 -4,-2.0 -1,-0.2 -531,-0.0 -2,-0.0 -0.458 360.0 360.0 -74.4 69.2 -48.3 79.1 6.9 1066 295 D K 0 0 88 -2,-2.3 -531,-0.1 -3,-0.2 -530,-0.1 -0.709 360.0 360.0-175.3 360.0 -45.2 76.8 7.4