==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN/BLOOD CLOTTING 22-MAY-03 1UEX . COMPND 2 MOLECULE: BITISCETIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BITIS ARIETANS; . AUTHOR N.MAITA,K.NISHIO,E.NISHIMOTO,T.MATSUI,Y.SHIKAMOTO,T.MORITA, . 450 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 51 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 0 0 0 4 2 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 4 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 2 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 3 A G 0 0 116 0, 0.0 6,-0.1 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -64.6 73.8 86.9 -33.4 2 4 A a - 0 0 41 1,-0.3 6,-0.1 10,-0.1 11,-0.0 0.294 360.0 -30.1 -87.6-141.7 75.0 83.4 -33.9 3 5 A L > - 0 0 94 1,-0.1 3,-2.3 4,-0.0 -1,-0.3 -0.504 64.6-116.7 -74.6 147.6 72.8 80.5 -35.0 4 6 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.901 115.6 58.2 -52.1 -44.2 69.2 80.9 -33.8 5 7 A D T 3 S+ 0 0 82 10,-0.0 2,-0.2 2,-0.0 -2,-0.0 0.446 106.1 66.2 -67.7 2.2 69.4 77.8 -31.7 6 8 A W S < S- 0 0 21 -3,-2.3 2,-0.4 9,-0.1 9,-0.2 -0.678 75.1-130.6-119.6 174.0 72.3 79.4 -29.8 7 9 A S E -A 14 0A 52 7,-2.8 7,-2.6 -2,-0.2 2,-0.1 -0.982 18.8-142.4-131.8 121.9 72.8 82.5 -27.5 8 10 A S E +A 13 0A 70 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.449 27.5 155.6 -83.3 154.0 75.6 85.1 -28.0 9 11 A Y E > -A 12 0A 68 3,-2.2 3,-1.1 -2,-0.1 -2,-0.0 -0.725 63.4 -11.2-179.0 123.5 77.6 86.8 -25.3 10 12 A K T 3 S- 0 0 102 1,-0.3 3,-0.1 -2,-0.2 35,-0.0 0.858 126.4 -50.6 50.9 44.6 81.0 88.5 -25.0 11 13 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.774 122.5 101.8 67.5 24.6 82.2 87.3 -28.4 12 14 A H E < -A 9 0A 59 -3,-1.1 -3,-2.2 112,-0.0 2,-0.5 -0.980 60.1-146.1-138.3 148.1 81.2 83.8 -27.5 13 15 A a E -A 8 0A 29 112,-1.4 112,-1.8 -2,-0.3 2,-0.2 -0.973 19.9-179.0-121.7 126.1 78.2 81.6 -28.5 14 16 A Y E +AB 7 124A 0 -7,-2.6 -7,-2.8 -2,-0.5 2,-0.2 -0.721 8.8 173.8-118.5 169.2 76.7 79.0 -26.2 15 17 A K E - B 0 123A 47 108,-1.0 108,-1.8 -2,-0.2 2,-0.4 -0.820 24.0-134.9-173.9 132.2 73.9 76.5 -26.3 16 18 A V E - B 0 122A 11 -2,-0.2 2,-0.5 106,-0.2 106,-0.2 -0.806 18.5-152.7 -96.1 132.7 72.6 73.8 -24.0 17 19 A F E - B 0 121A 21 104,-2.2 104,-1.0 -2,-0.4 -2,-0.0 -0.919 9.5-157.8-108.3 125.0 71.8 70.4 -25.6 18 20 A K E + 0 0 113 -2,-0.5 -1,-0.1 102,-0.2 2,-0.1 0.830 69.5 96.3 -67.3 -32.5 69.2 68.2 -24.0 19 21 A K E S- 0 0 177 1,-0.1 102,-0.4 101,-0.1 -2,-0.1 -0.373 76.1-128.3 -62.0 133.6 70.6 65.1 -25.7 20 22 A V E + 0 0 67 100,-0.2 2,-0.3 98,-0.1 98,-0.1 -0.227 35.4 155.3 -80.5 170.0 73.0 63.2 -23.5 21 23 A G E - B 0 119A 6 98,-0.8 98,-1.5 96,-0.2 95,-0.1 -0.867 44.9 -83.8 174.5 152.9 76.5 62.0 -24.1 22 24 A T > - 0 0 23 -2,-0.3 4,-3.6 96,-0.2 5,-0.3 -0.196 48.0-104.6 -64.3 162.4 79.8 61.2 -22.4 23 25 A W H > S+ 0 0 16 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.910 125.8 50.9 -54.2 -41.1 82.1 64.0 -21.4 24 26 A E H >> S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 3,-1.5 0.995 113.4 40.6 -57.0 -70.6 84.2 62.7 -24.4 25 27 A D H 3> S+ 0 0 83 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.875 109.3 61.2 -46.3 -47.6 81.3 62.7 -26.9 26 28 A A H 3X S+ 0 0 1 -4,-3.6 4,-1.5 1,-0.2 -1,-0.3 0.844 111.0 40.5 -51.1 -36.7 80.0 66.0 -25.6 27 29 A E H <>S+ 0 0 0 -4,-1.5 3,-1.1 -5,-0.2 5,-0.6 0.907 111.7 48.7 -59.1 -40.7 81.2 70.9 -29.5 31 33 A V H ><5S+ 0 0 66 -4,-2.9 3,-2.3 1,-0.3 -1,-0.2 0.875 101.1 62.6 -65.4 -38.6 84.3 70.7 -31.6 32 34 A E T 3<5S+ 0 0 153 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.615 104.2 51.8 -62.2 -11.0 82.2 69.6 -34.6 33 35 A N T < 5S- 0 0 52 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 -0.057 129.0 -98.0-114.7 29.1 80.5 73.0 -34.1 34 36 A S T < 5S+ 0 0 110 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.933 96.6 61.5 54.8 53.9 83.8 74.9 -34.2 35 37 A G S S- 0 0 31 1,-0.1 4,-0.5 171,-0.0 -1,-0.2 -0.443 77.0-123.2 -90.7 165.4 84.4 85.4 -14.9 43 45 A K H > S+ 0 0 142 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.677 115.7 59.8 -78.6 -18.4 81.7 85.1 -12.3 44 46 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.992 104.7 43.7 -68.3 -64.9 79.6 87.0 -14.8 45 47 A E H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.678 112.3 61.1 -54.0 -18.4 79.9 84.3 -17.5 46 48 A A H X S+ 0 0 6 -4,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.984 105.8 38.4 -74.8 -62.9 79.3 81.8 -14.7 47 49 A D H X S+ 0 0 53 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.779 113.7 62.1 -60.2 -24.3 75.8 82.8 -13.6 48 50 A F H X S+ 0 0 43 -4,-2.0 4,-3.6 2,-0.2 5,-0.2 0.984 105.8 41.7 -63.2 -57.8 75.1 83.4 -17.3 49 51 A V H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.719 112.3 59.5 -61.1 -21.2 75.7 79.8 -18.2 50 52 A T H X S+ 0 0 15 -4,-1.5 4,-3.3 2,-0.2 -1,-0.2 0.936 111.4 37.2 -72.0 -48.4 73.8 79.0 -15.0 51 53 A K H X S+ 0 0 106 -4,-2.5 4,-4.0 2,-0.2 5,-0.4 0.981 115.9 54.1 -64.7 -55.5 70.7 80.8 -16.2 52 54 A L H X S+ 0 0 12 -4,-3.6 4,-1.0 1,-0.3 -1,-0.2 0.827 116.7 38.9 -46.7 -38.4 71.3 79.6 -19.8 53 55 A A H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.2 -1,-0.3 0.895 115.8 51.9 -79.3 -43.0 71.4 76.0 -18.3 54 56 A S H < S+ 0 0 42 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.887 109.6 49.6 -59.6 -42.9 68.6 76.7 -15.9 55 57 A Q H < S+ 0 0 131 -4,-4.0 3,-0.4 1,-0.1 -1,-0.2 0.854 119.4 37.3 -65.9 -36.8 66.3 78.1 -18.6 56 58 A T H < S+ 0 0 64 -4,-1.0 2,-1.1 -5,-0.4 -2,-0.2 0.930 114.7 48.4 -83.6 -51.2 66.9 75.1 -20.9 57 59 A L S >< S+ 0 0 0 -4,-3.0 3,-1.9 -5,-0.1 2,-1.2 -0.263 73.5 170.6 -87.2 49.3 67.1 72.1 -18.6 58 60 A T T 3 + 0 0 97 -2,-1.1 -3,-0.1 -3,-0.4 -4,-0.1 -0.476 61.5 58.2 -66.1 96.7 63.9 73.1 -16.7 59 61 A K T 3 S- 0 0 80 -2,-1.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.005 88.3-140.0 172.4 -35.9 63.4 70.0 -14.6 60 62 A F < + 0 0 57 -3,-1.9 -2,-0.1 -6,-0.1 3,-0.1 0.970 65.8 111.8 52.6 72.6 66.7 69.8 -12.6 61 63 A V + 0 0 32 -4,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.267 65.8 66.4-145.2 -3.5 67.5 66.1 -12.6 62 64 A Y S S- 0 0 53 -5,-0.2 2,-0.3 41,-0.1 -1,-0.2 -0.948 70.3-132.3-129.1 148.6 70.6 66.2 -14.8 63 65 A D - 0 0 15 -2,-0.3 2,-0.6 39,-0.1 39,-0.2 -0.729 24.8-132.9 -93.7 144.9 74.1 67.6 -14.6 64 66 A A E -D 101 0A 0 37,-1.2 37,-2.4 -2,-0.3 57,-0.3 -0.891 18.6-123.7-105.8 122.6 75.4 69.6 -17.6 65 67 A W E -De 100 121A 0 55,-2.5 57,-1.2 -2,-0.6 -27,-0.3 -0.289 29.6-174.8 -61.2 141.9 78.9 68.9 -18.8 66 68 A I E - 0 0 0 33,-1.6 2,-0.4 2,-0.2 -27,-0.2 -0.724 40.9 -91.7-126.7 177.8 81.3 71.8 -19.0 67 69 A G E S+ 0 0 0 -29,-3.5 139,-0.9 -2,-0.2 2,-0.4 -0.083 86.3 105.8 -89.8 39.3 84.9 71.9 -20.4 68 70 A L E + F 0 205A 0 31,-0.4 31,-2.6 -2,-0.4 2,-0.3 -0.962 37.8 154.7-120.9 130.2 86.8 71.1 -17.3 69 71 A R E -DF 98 204A 50 135,-2.0 135,-1.8 -2,-0.4 2,-0.7 -0.898 45.3 -99.5-143.7 173.6 88.5 67.8 -16.5 70 72 A D E - F 0 203A 3 27,-2.9 133,-0.2 -2,-0.3 -2,-0.0 -0.862 21.3-166.0-102.5 106.8 91.4 66.3 -14.5 71 73 A E + 0 0 69 131,-1.8 -1,-0.1 -2,-0.7 132,-0.1 0.717 44.0 136.7 -61.0 -22.5 94.5 65.7 -16.6 72 74 A S - 0 0 18 1,-0.2 -2,-0.1 130,-0.1 5,-0.1 0.120 55.1-144.7 -31.8 130.7 95.8 63.4 -13.8 73 75 A K S S+ 0 0 213 4,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.778 80.9 73.7 -70.5 -27.6 97.4 60.2 -15.1 74 76 A T S S- 0 0 39 2,-0.1 15,-0.1 1,-0.1 14,-0.0 -0.420 92.5-111.7 -88.4 161.1 96.0 58.5 -12.0 75 77 A Q S S+ 0 0 62 -2,-0.1 2,-0.2 3,-0.1 21,-0.1 0.981 107.5 20.0 -53.4 -67.4 92.5 57.4 -11.0 76 78 A Q S S- 0 0 9 2,-0.1 -2,-0.1 19,-0.1 21,-0.1 -0.587 89.6-119.2 -96.8 168.3 92.2 60.0 -8.2 77 79 A c S S+ 0 0 8 -2,-0.2 -4,-0.1 -4,-0.1 120,-0.1 0.530 73.1 112.0 -91.5 -4.0 94.5 63.0 -8.2 78 80 A S - 0 0 8 1,-0.2 -2,-0.1 118,-0.1 118,-0.1 -0.570 43.9-170.5 -71.5 118.2 96.4 62.6 -4.9 79 81 A P + 0 0 78 0, 0.0 8,-2.5 0, 0.0 2,-0.3 0.757 66.7 40.9 -80.5 -27.1 100.1 61.9 -5.9 80 82 A Q B S-H 86 0B 100 6,-0.2 115,-0.4 115,-0.2 6,-0.2 -0.899 74.4-132.6-124.0 152.9 101.3 61.1 -2.4 81 83 A W > - 0 0 12 4,-2.8 3,-1.0 -2,-0.3 113,-0.2 -0.346 36.3-101.6 -90.2 178.1 99.9 59.1 0.5 82 84 A T T 3 S+ 0 0 39 111,-1.3 112,-0.1 1,-0.2 -1,-0.1 0.774 123.7 54.5 -72.1 -24.8 99.9 60.3 4.1 83 85 A D T 3 S- 0 0 45 110,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.405 124.5-102.2 -87.8 1.0 102.9 58.0 4.9 84 86 A G S < S+ 0 0 50 -3,-1.0 -2,-0.1 1,-0.3 2,-0.1 0.380 74.1 147.3 93.5 -3.8 104.9 59.6 2.0 85 87 A S - 0 0 30 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.385 52.6-117.4 -66.0 141.2 104.2 56.6 -0.2 86 88 A S B -H 80 0B 71 -6,-0.2 2,-1.4 -3,-0.1 3,-0.3 -0.609 28.6-115.1 -78.7 139.2 104.0 57.4 -3.9 87 89 A V + 0 0 12 -8,-2.5 -1,-0.1 -2,-0.3 3,-0.1 -0.643 60.9 142.6 -79.6 95.4 100.5 56.6 -5.3 88 90 A V + 0 0 117 -2,-1.4 2,-0.2 1,-0.2 -1,-0.2 0.884 58.9 40.8 -96.0 -64.0 101.4 53.8 -7.7 89 91 A Y - 0 0 36 -3,-0.3 2,-0.3 79,-0.1 -1,-0.2 -0.568 69.7-177.7 -87.9 150.6 98.6 51.3 -7.5 90 92 A E - 0 0 17 -2,-0.2 79,-0.0 -3,-0.1 81,-0.0 -0.943 25.0-178.0-143.6 165.6 94.9 52.4 -7.3 91 93 A N + 0 0 11 -2,-0.3 141,-1.8 77,-0.0 2,-0.2 0.069 19.5 164.8-157.2 30.8 91.5 50.8 -6.9 92 94 A V B -i 232 0C 7 139,-0.2 141,-0.2 1,-0.2 139,-0.1 -0.393 37.7-137.2 -58.5 122.0 89.0 53.7 -7.0 93 95 A D S S- 0 0 95 139,-2.3 -1,-0.2 1,-0.3 140,-0.1 0.823 88.9 -6.1 -50.0 -38.9 85.6 52.1 -7.6 94 96 A E S S- 0 0 82 138,-0.5 -1,-0.3 2,-0.0 2,-0.0 -0.620 75.9-146.5-163.4 93.6 84.8 54.8 -10.0 95 97 A P - 0 0 44 0, 0.0 2,-0.6 0, 0.0 20,-0.4 -0.348 7.2-148.7 -65.9 145.7 87.0 57.8 -10.6 96 98 A T + 0 0 20 18,-0.2 16,-0.1 1,-0.1 3,-0.0 -0.914 35.1 149.1-117.9 102.8 85.4 61.2 -11.3 97 99 A K + 0 0 26 -2,-0.6 -27,-2.9 16,-0.4 2,-0.5 0.292 50.4 77.8-119.2 10.8 87.6 63.3 -13.6 98 100 A d E -DG 69 113A 0 15,-1.9 15,-2.4 -29,-0.2 -29,-0.2 -0.981 66.4-148.4-124.6 124.1 85.1 65.3 -15.6 99 101 A F E + G 0 112A 0 -31,-2.6 -33,-1.6 -2,-0.5 -31,-0.4 -0.534 19.3 168.9 -92.5 157.8 83.3 68.3 -14.1 100 102 A G E -DG 65 111A 0 11,-1.9 11,-2.8 -35,-0.2 2,-0.3 -0.979 46.8 -74.0-160.4 156.5 79.9 69.6 -14.8 101 103 A L E -DG 64 110A 1 -37,-2.4 -37,-1.2 -2,-0.3 2,-0.5 -0.406 53.4-120.7 -59.1 117.4 77.3 72.1 -13.5 102 104 A D E > > - G 0 109A 26 7,-3.7 5,-2.3 -2,-0.3 3,-1.2 -0.459 22.6-166.3 -65.4 110.7 75.9 70.6 -10.3 103 105 A V G > 5S+ 0 0 7 -2,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.681 83.3 69.6 -72.7 -18.4 72.1 70.3 -10.8 104 106 A H G 3 5S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.371 106.7 40.1 -80.8 5.9 71.5 69.7 -7.0 105 107 A T G < 5S- 0 0 51 -3,-1.2 3,-0.5 4,-0.1 -1,-0.2 0.118 129.5 -93.3-135.2 13.5 72.5 73.4 -6.5 106 108 A E T < 5S- 0 0 125 -3,-1.1 -3,-0.2 1,-0.2 -52,-0.2 0.811 73.0 -66.3 74.7 33.9 70.7 74.8 -9.5 107 109 A Y S - 0 0 14 0, 0.0 3,-2.1 0, 0.0 2,-0.5 -0.519 44.1-129.5 -69.0 121.8 82.3 60.1 -13.9 115 117 A d T 3 S+ 0 0 44 -2,-0.4 3,-0.1 -20,-0.4 -93,-0.1 -0.632 101.3 46.3 -68.0 122.2 83.4 60.7 -17.5 116 118 A G T 3 S+ 0 0 45 -2,-0.5 2,-0.7 1,-0.5 -1,-0.3 0.215 76.9 119.5 125.8 -13.0 81.1 58.3 -19.3 117 119 A E S < S- 0 0 69 -3,-2.1 2,-1.0 -96,-0.1 -1,-0.5 -0.781 70.7-125.1 -85.0 116.3 78.0 59.3 -17.4 118 120 A K + 0 0 128 -2,-0.7 -96,-0.2 -98,-0.1 -98,-0.1 -0.545 47.5 157.0 -71.4 101.0 75.7 60.5 -20.3 119 121 A N E -B 21 0A 9 -98,-1.5 -98,-0.8 -2,-1.0 -55,-0.1 -0.797 47.0 -99.6-119.9 162.5 74.6 64.0 -19.3 120 122 A P E - 0 0 1 0, 0.0 -55,-2.5 0, 0.0 2,-0.2 -0.359 49.4-156.2 -73.2 164.8 73.4 67.0 -21.4 121 123 A F E -Be 17 65A 11 -104,-1.0 -104,-2.2 -102,-0.4 2,-0.4 -0.797 17.6-122.3-139.6-178.0 76.1 69.5 -22.1 122 124 A I E -B 16 0A 0 -57,-1.2 -84,-2.7 -2,-0.2 2,-0.3 -0.992 21.2-161.3-131.9 125.3 77.0 73.1 -23.0 123 125 A b E -BC 15 37A 0 -108,-1.8 -108,-1.0 -2,-0.4 2,-0.3 -0.749 3.2-165.3-105.4 154.4 79.1 74.1 -26.1 124 126 A K E BC 14 36A 11 -88,-2.9 -88,-2.4 -2,-0.3 -110,-0.2 -0.999 360.0 360.0-141.2 135.1 80.9 77.4 -26.6 125 127 A S 0 0 52 -112,-1.8 -112,-1.4 -2,-0.3 -90,-0.2 -0.698 360.0 360.0-131.6 360.0 82.3 79.0 -29.8 126 !* 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 0.0 127 3 B G 0 0 111 0, 0.0 6,-0.1 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -85.4 106.1 39.3 13.3 128 4 B e - 0 0 34 4,-0.2 6,-0.1 1,-0.1 3,-0.1 0.054 360.0 -72.9 -89.3-159.5 104.8 42.6 14.7 129 5 B L > - 0 0 81 1,-0.2 3,-1.9 4,-0.1 -1,-0.1 -0.785 69.9 -59.8-104.1 148.3 103.7 43.6 18.1 130 6 B P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.274 119.1 9.2 -25.2 132.3 100.5 42.5 20.0 131 7 B D T 3 S+ 0 0 117 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.230 106.2 100.9 75.0 -11.7 97.1 43.3 18.4 132 8 B W < - 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0 0 121 -2,-0.3 -32,-0.1 32,-0.2 3,-0.1 -0.976 27.5-137.7-128.8 118.2 70.8 49.1 -4.9 376 626 C E - 0 0 7 -2,-0.4 5,-0.1 -34,-0.2 -35,-0.1 -0.402 38.0 -91.0 -70.9 147.0 67.9 50.5 -6.9 377 627 C P >> - 0 0 34 0, 0.0 3,-2.4 0, 0.0 2,-1.3 -0.314 41.1-105.6 -61.5 138.3 68.3 50.7 -10.6 378 628 C Q T 34 S+ 0 0 160 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 -0.520 113.2 60.0 -65.8 95.7 69.7 54.0 -11.9 379 629 C R T >4 S+ 0 0 159 -2,-1.3 3,-0.5 -3,-0.0 -1,-0.3 -0.077 97.7 54.7 172.8 -36.6 66.3 55.2 -13.3 380 630 C M T <4 S+ 0 0 60 -3,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.532 97.3 70.5 -89.4 -9.0 64.4 55.2 -10.1 381 631 C S T 3< + 0 0 37 -4,-0.6 3,-0.4 1,-0.2 4,-0.4 0.160 63.6 109.8 -93.4 16.8 67.1 57.4 -8.6 382 632 C R S < S+ 0 0 115 -3,-0.5 3,-0.2 1,-0.2 4,-0.2 0.942 91.5 23.3 -56.9 -52.4 66.1 60.5 -10.6 383 633 C N S > S+ 0 0 55 -3,-0.4 4,-2.0 1,-0.2 5,-0.3 0.268 88.2 117.0-100.2 10.8 64.7 62.5 -7.7 384 634 C F H >> S+ 0 0 6 -3,-0.4 4,-2.5 1,-0.2 3,-0.6 0.907 80.7 41.4 -41.7 -61.4 66.6 60.7 -4.9 385 635 C V H 3> S+ 0 0 10 -4,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.884 110.2 58.2 -57.7 -42.3 68.6 63.8 -3.9 386 636 C R H 3> S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.844 110.0 44.5 -60.1 -32.7 65.5 66.1 -4.2 387 637 C Y H S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.4 0.929 103.7 57.9 -61.8 -48.4 63.5 65.9 4.3 392 642 C K H ><5S+ 0 0 96 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.866 108.7 48.4 -51.8 -35.7 66.5 68.1 5.4 393 643 C K H 3<5S+ 0 0 175 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.904 108.9 50.1 -71.2 -42.4 64.0 71.0 5.1 394 644 C K T 3<5S- 0 0 54 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.372 117.1-118.5 -76.6 7.7 61.3 69.2 7.0 395 645 C K T < 5 + 0 0 163 -3,-0.7 2,-1.1 -4,-0.4 -29,-0.8 0.822 61.7 155.1 58.1 32.2 64.1 68.6 9.6 396 646 C V E < -t 366 0D 3 -5,-2.9 -1,-0.2 -6,-0.1 -29,-0.2 -0.787 36.4-145.4 -93.5 99.8 63.5 64.9 9.0 397 647 C I E -t 367 0D 23 -31,-2.8 -29,-2.4 -2,-1.1 2,-0.5 -0.362 9.7-151.8 -62.1 141.3 66.9 63.3 9.9 398 648 C V E -t 368 0D 2 -31,-0.2 -29,-0.2 17,-0.1 -31,-0.1 -0.962 7.4-164.9-122.8 113.9 67.6 60.3 7.7 399 649 C I E -t 369 0D 0 -31,-2.5 -29,-1.2 -2,-0.5 2,-0.3 -0.781 12.3-153.3-102.0 93.4 69.8 57.6 9.2 400 650 C P E -t 370 0D 0 0, 0.0 25,-1.9 0, 0.0 2,-0.6 -0.478 9.2-167.9 -68.4 120.7 71.0 55.3 6.4 401 651 C V E -tu 371 425D 0 -31,-2.0 -29,-2.5 -2,-0.3 2,-0.4 -0.930 5.5-157.8-114.7 109.5 71.8 51.8 7.6 402 652 C G E -tu 372 426D 0 23,-3.6 25,-3.4 -2,-0.6 2,-0.4 -0.717 12.2-176.1 -88.3 132.4 73.7 49.7 5.0 403 653 C I E - u 0 427D 2 -31,-2.2 3,-0.4 -2,-0.4 4,-0.4 -0.979 46.3 -5.9-130.4 141.4 73.4 45.9 5.4 404 654 C G S S- 0 0 13 23,-0.7 3,-0.5 -2,-0.4 25,-0.1 -0.065 96.3 -66.3 70.2-176.8 75.1 43.2 3.4 405 655 C P S S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -176,-0.1 0.428 124.0 64.7 -89.2 -0.2 77.3 43.8 0.3 406 656 C H + 0 0 81 -3,-0.4 -2,-0.1 -33,-0.3 -33,-0.1 0.454 68.1 122.1-103.4 -1.5 74.5 45.0 -1.9 407 657 C A S S- 0 0 9 -3,-0.5 -32,-0.2 -4,-0.4 3,-0.1 -0.065 72.2-113.2 -53.3 165.1 73.6 48.2 -0.1 408 658 C N + 0 0 13 -34,-0.6 2,-3.3 1,-0.2 -1,-0.1 0.915 37.9 175.5 -72.6 -45.5 73.9 51.4 -2.2 409 659 C L S > S+ 0 0 30 1,-0.2 4,-2.4 4,-0.0 -1,-0.2 -0.067 77.2 64.9 66.7 -45.1 76.8 53.2 -0.4 410 660 C K H > S+ 0 0 101 -2,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.944 109.6 37.4 -70.9 -45.8 76.7 55.9 -3.1 411 661 C Q H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.821 115.2 55.3 -71.2 -34.5 73.2 56.8 -1.9 412 662 C I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.942 110.4 45.6 -62.2 -47.6 74.3 56.1 1.7 413 663 C R H X S+ 0 0 24 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.883 109.2 55.3 -62.8 -40.8 77.1 58.6 1.3 414 664 C L H >X S+ 0 0 43 -4,-1.9 4,-0.9 2,-0.2 3,-0.7 0.920 110.3 46.5 -59.9 -42.8 74.9 61.1 -0.4 415 665 C I H >X S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-0.9 0.971 109.9 51.4 -63.7 -53.1 72.6 61.0 2.6 416 666 C E H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.593 107.3 58.5 -61.4 -8.1 75.4 61.3 5.1 417 667 C K H << S+ 0 0 93 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.705 91.3 66.0 -94.1 -23.1 76.6 64.3 3.1 418 668 C Q H << S- 0 0 44 -3,-1.6 -2,-0.2 -4,-0.9 -1,-0.1 0.914 122.2 -11.0 -64.3 -42.9 73.4 66.4 3.5 419 669 C A >< - 0 0 11 -4,-0.9 3,-0.5 3,-0.1 -1,-0.2 -0.975 59.9-121.9-152.6 159.4 73.9 66.8 7.2 420 670 C P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.815 107.9 69.2 -75.1 -28.1 76.1 65.3 9.9 421 671 C E T 3 S+ 0 0 85 1,-0.2 2,-2.5 2,-0.1 -5,-0.1 0.767 79.7 80.2 -58.8 -28.6 73.0 64.2 11.8 422 672 C N S < S- 0 0 9 -3,-0.5 -1,-0.2 -7,-0.2 2,-0.1 -0.353 73.2-178.2 -77.3 59.0 72.5 61.6 9.1 423 673 C K - 0 0 34 -2,-2.5 2,-0.2 -24,-0.1 -2,-0.1 -0.410 15.0-141.3 -63.5 133.2 75.1 59.3 10.6 424 674 C A - 0 0 4 -25,-0.1 2,-0.4 -2,-0.1 -23,-0.2 -0.609 12.8-159.8 -98.3 156.9 75.5 56.2 8.5 425 675 C F E - u 0 401D 1 -25,-1.9 -23,-3.6 -2,-0.2 2,-0.7 -0.987 1.8-167.8-136.5 121.7 76.1 52.6 9.6 426 676 C V E - u 0 402D 24 -2,-0.4 -238,-0.6 -25,-0.2 2,-0.3 -0.894 14.4-172.3-115.2 100.2 77.5 50.1 7.2 427 677 C L E -Pu 187 403D 0 -25,-3.4 -23,-0.7 -2,-0.7 -240,-0.1 -0.687 29.5-133.7 -96.3 145.1 77.1 46.6 8.6 428 678 C S S S- 0 0 14 -242,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.889 83.7 -20.3 -60.0 -41.0 78.6 43.5 7.1 429 679 C S S > S- 0 0 33 -243,-0.1 3,-1.6 -26,-0.1 4,-0.1 -0.916 75.4 -84.2-156.7 178.9 75.3 41.6 7.5 430 680 C V T >> S+ 0 0 4 1,-0.3 3,-1.7 -2,-0.3 4,-0.5 0.739 119.3 71.1 -65.5 -21.3 72.0 41.5 9.3 431 681 C D H >> S+ 0 0 106 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.755 88.1 63.3 -65.2 -23.9 73.8 39.7 12.1 432 682 C E H <> S+ 0 0 21 -3,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.532 85.6 75.9 -78.0 -5.5 75.5 43.0 12.8 433 683 C L H <> S+ 0 0 1 -3,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.907 92.9 50.3 -69.9 -42.5 72.0 44.5 13.6 434 684 C E H X< S+ 0 0 95 -4,-0.5 3,-0.6 -3,-0.5 4,-0.4 0.946 114.3 46.6 -59.1 -49.0 72.0 42.7 17.0 435 685 C Q H >< S+ 0 0 116 -4,-0.9 3,-0.8 1,-0.2 4,-0.3 0.985 118.9 33.1 -57.2 -74.2 75.4 44.0 17.8 436 686 C Q H 3X S+ 0 0 28 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.303 88.7 107.6 -71.5 10.8 75.3 47.7 16.9 437 687 C R H S+ 0 0 42 -3,-0.8 4,-2.5 -4,-0.4 5,-0.3 0.916 108.0 56.7 -70.9 -45.0 72.3 49.9 21.1 439 689 C E H > S+ 0 0 93 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.832 111.5 49.2 -56.1 -28.0 74.9 52.3 19.7 440 690 C I H X S+ 0 0 0 -4,-1.4 4,-3.3 2,-0.2 -2,-0.2 0.936 108.3 48.8 -77.5 -46.7 72.2 53.1 17.2 441 691 C V H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.805 110.6 53.2 -63.2 -30.8 69.4 53.7 19.8 442 692 C S H X S+ 0 0 44 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.943 112.9 42.3 -69.0 -47.6 71.6 55.9 21.8 443 693 C Y H < S+ 0 0 58 -4,-1.4 4,-0.4 -5,-0.3 -2,-0.2 0.958 115.5 50.4 -61.8 -51.6 72.4 58.1 18.8 444 694 C L H >< S+ 0 0 2 -4,-3.3 3,-1.0 1,-0.2 4,-0.3 0.892 113.6 46.4 -53.3 -42.8 68.8 58.0 17.7 445 695 C h H >< S+ 0 0 10 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.898 103.7 60.7 -69.5 -40.2 67.8 59.0 21.2 446 696 C D T 3< S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.453 99.9 58.5 -68.5 1.6 70.3 61.8 21.5 447 697 C L T < S+ 0 0 36 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.528 92.0 83.3-103.9 -12.9 68.7 63.5 18.5 448 698 C A S < S- 0 0 8 -3,-1.8 -185,-0.2 -4,-0.3 -84,-0.1 -0.626 80.5-122.4 -91.4 151.7 65.3 63.8 20.2 449 699 C P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.843 31.5-106.8 -57.9-117.3 64.5 66.6 22.6 450 700 C E - 0 0 107 -189,-0.1 -189,-0.1 -150,-0.0 -150,-0.0 -0.632 25.9-106.4 174.2 121.9 63.4 65.9 26.2 451 701 C A 0 0 31 -191,-0.4 -151,-0.0 -2,-0.2 -152,-0.0 -0.461 360.0 360.0 -64.3 113.1 59.9 66.1 27.8 452 702 C P 0 0 170 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.101 360.0 360.0 -71.9 360.0 60.0 69.3 30.0