==== 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 LIGASE 08-JUL-04 1VL2 . COMPND 2 MOLECULE: ARGININOSUCCINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1574 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1174 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 192 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 . 122 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 571 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.5 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 4 4 4 0 2 0 6 8 1 7 0 0 4 0 0 8 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 0 4 4 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 . 4 4 0 8 0 4 12 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 4 8 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 2 A K 0 0 145 0, 0.0 2,-0.5 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 144.5 4.5 28.5 30.9 2 3 A E - 0 0 83 23,-0.5 25,-3.7 106,-0.1 2,-0.5 -0.682 360.0-152.9 -80.8 124.0 6.9 25.6 31.5 3 4 A K E -a 27 0A 20 -2,-0.5 107,-1.5 104,-0.2 106,-1.3 -0.842 13.6-176.8-104.2 126.3 10.1 26.1 29.4 4 5 A V E -ab 28 110A 0 23,-2.3 25,-3.2 -2,-0.5 2,-0.7 -0.971 19.5-145.8-119.4 139.5 12.2 23.2 28.3 5 6 A V E -ab 29 111A 0 105,-2.1 107,-3.0 -2,-0.4 2,-0.5 -0.931 23.8-163.2 -99.0 111.9 15.5 23.4 26.3 6 7 A L E -ab 30 112A 0 23,-2.9 25,-3.2 -2,-0.7 2,-0.9 -0.874 22.8-127.9 -99.7 129.5 15.6 20.4 24.0 7 8 A A E -a 31 0A 14 105,-2.5 2,-0.5 -2,-0.5 107,-0.4 -0.662 39.0-164.1 -69.4 106.9 18.8 19.2 22.4 8 9 A Y + 0 0 4 23,-2.9 25,-0.3 -2,-0.9 40,-0.1 -0.868 28.6 170.2-113.4 121.2 17.4 19.2 18.8 9 10 A S - 0 0 70 -2,-0.5 -1,-0.1 23,-0.1 3,-0.1 0.589 48.7-119.0-102.5 -20.2 19.1 17.3 16.0 10 11 A G S S+ 0 0 13 1,-0.3 -2,-0.1 34,-0.1 22,-0.0 0.341 73.4 121.0 95.4 -5.5 16.4 17.6 13.3 11 12 A G S > S- 0 0 30 156,-0.0 4,-1.7 1,-0.0 -1,-0.3 -0.146 81.3 -88.6 -84.0-176.4 16.0 13.8 13.0 12 13 A L H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 120.1 50.6 -65.7 -48.0 12.9 11.8 13.5 13 14 A D H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 114.9 40.4 -56.9 -54.9 13.3 11.1 17.3 14 15 A T H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.764 112.0 56.3 -70.9 -21.8 13.9 14.7 18.4 15 16 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.935 109.5 46.5 -72.0 -42.0 11.2 16.1 16.0 16 17 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.914 112.8 50.5 -60.3 -41.8 8.6 13.8 17.6 17 18 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.913 107.8 52.6 -66.4 -38.8 9.8 14.8 21.1 18 19 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.949 114.0 43.1 -57.6 -50.2 9.6 18.5 20.2 19 20 A K H X S+ 0 0 30 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.944 113.4 51.3 -59.5 -53.5 6.0 18.0 19.0 20 21 A W H X S+ 0 0 26 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.844 109.0 50.4 -55.2 -40.0 5.1 15.8 22.0 21 22 A L H <>S+ 0 0 1 -4,-2.5 5,-2.7 -5,-0.2 -1,-0.3 0.851 110.8 49.7 -75.0 -32.3 6.5 18.3 24.5 22 23 A C H ><5S+ 0 0 32 -4,-1.7 3,-1.6 -5,-0.2 -2,-0.2 0.925 110.3 50.6 -59.4 -47.0 4.4 21.0 22.8 23 24 A E H 3<5S+ 0 0 106 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.727 106.6 55.1 -67.0 -26.6 1.3 18.7 23.0 24 25 A K T 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.393 127.1-100.9 -84.2 -1.0 2.0 18.2 26.8 25 26 A G T < 5S+ 0 0 52 -3,-1.6 -23,-0.5 1,-0.3 2,-0.2 0.574 72.2 142.5 97.8 11.3 1.9 22.0 27.2 26 27 A F < - 0 0 41 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.3 -0.577 53.7-129.3 -84.1 145.7 5.6 23.0 27.3 27 28 A D E -a 3 0A 51 -25,-3.7 -23,-2.3 -2,-0.2 2,-0.5 -0.880 38.9-155.0 -80.9 106.8 7.2 26.1 25.8 28 29 A V E -a 4 0A 2 -2,-0.8 26,-2.4 24,-0.3 27,-0.9 -0.775 17.2-162.9 -98.6 127.2 10.0 24.3 23.9 29 30 A I E -ac 5 55A 1 -25,-3.2 -23,-2.9 -2,-0.5 2,-0.6 -0.916 18.5-142.9 -98.0 122.5 13.3 26.0 23.0 30 31 A A E -ac 6 56A 0 25,-2.7 27,-2.7 -2,-0.6 2,-0.5 -0.811 13.7-163.0 -88.4 124.6 15.1 23.9 20.3 31 32 A Y E -ac 7 57A 2 -25,-3.2 -23,-2.9 -2,-0.6 2,-0.6 -0.938 4.4-170.3-113.1 118.8 18.9 23.9 20.8 32 33 A V E - c 0 58A 2 25,-3.4 27,-2.5 -2,-0.5 2,-0.7 -0.942 8.1-155.5-117.3 113.7 20.9 22.9 17.8 33 34 A A E - c 0 59A 11 -2,-0.6 2,-1.0 -25,-0.3 27,-0.2 -0.844 3.0-154.5 -98.4 118.4 24.6 22.3 18.4 34 35 A N E + c 0 60A 24 25,-3.0 27,-2.4 -2,-0.7 28,-0.4 -0.813 29.8 156.2 -90.3 100.6 26.8 22.7 15.4 35 36 A V S S- 0 0 6 -2,-1.0 146,-2.9 144,-0.2 147,-0.3 0.014 79.5 -70.3-114.0 24.9 29.8 20.5 16.3 36 37 A G S S+ 0 0 8 144,-0.3 144,-0.2 1,-0.3 -2,-0.1 0.438 82.3 149.2 106.0 3.9 30.9 20.0 12.7 37 38 A Q - 0 0 32 142,-0.2 2,-1.6 1,-0.1 -1,-0.3 -0.330 55.0-120.9 -63.5 148.7 28.1 17.7 11.4 38 39 A K + 0 0 164 142,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.377 65.9 136.3 -94.0 61.0 27.5 18.3 7.7 39 40 A D - 0 0 73 -2,-1.6 2,-1.2 3,-0.0 3,-0.1 -0.668 65.5-112.4-106.6 155.8 23.9 19.2 8.2 40 41 A D > - 0 0 101 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 -0.774 32.7-176.8 -86.7 94.0 21.7 22.0 6.8 41 42 A F H > S+ 0 0 35 -2,-1.2 4,-2.2 1,-0.2 5,-0.2 0.763 79.8 59.6 -67.1 -26.4 21.1 24.0 9.9 42 43 A V H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.963 109.0 43.1 -63.8 -52.0 18.8 26.4 8.1 43 44 A A H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.842 113.4 53.7 -58.7 -37.3 16.5 23.5 7.2 44 45 A I H X S+ 0 0 17 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.926 108.2 48.2 -66.0 -44.8 16.8 22.1 10.8 45 46 A K H X S+ 0 0 96 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.920 113.4 48.0 -62.4 -42.3 15.8 25.4 12.4 46 47 A E H X S+ 0 0 37 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.885 110.1 51.8 -64.0 -41.9 12.8 25.7 10.0 47 48 A K H X S+ 0 0 39 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.901 107.6 54.3 -59.7 -40.8 11.8 22.1 10.8 48 49 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-0.8 0.913 112.5 41.7 -58.4 -49.2 12.0 23.0 14.5 49 50 A L H ><5S+ 0 0 85 -4,-2.0 3,-0.6 3,-0.2 -2,-0.2 0.904 114.5 50.8 -66.8 -43.0 9.6 25.9 14.0 50 51 A K H 3<5S+ 0 0 144 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.843 110.8 51.5 -59.4 -31.0 7.3 23.9 11.6 51 52 A T H 3<5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.643 131.3 -91.0 -85.8 -15.6 7.3 21.2 14.3 52 53 A G T <<5 + 0 0 33 -4,-0.8 -24,-0.3 -3,-0.6 -3,-0.2 0.369 69.4 149.7 129.7 -5.8 6.3 23.6 17.1 53 54 A A < - 0 0 7 -5,-2.6 -1,-0.3 -6,-0.2 -24,-0.2 -0.322 37.5-148.3 -61.6 142.0 9.4 25.1 18.8 54 55 A S S S+ 0 0 64 -26,-2.4 2,-0.3 1,-0.3 -25,-0.2 0.807 78.5 1.6 -77.7 -32.6 9.0 28.6 20.1 55 56 A K E -c 29 0A 92 -27,-0.9 -25,-2.7 -7,-0.1 2,-0.4 -0.978 65.2-145.8-157.5 149.5 12.5 29.6 19.5 56 57 A V E -c 30 0A 17 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.995 2.4-162.0-128.3 131.0 15.7 28.0 18.1 57 58 A Y E -c 31 0A 31 -27,-2.7 -25,-3.4 -2,-0.4 2,-0.6 -0.968 4.3-168.9-108.3 122.1 19.4 28.5 19.1 58 59 A V E -c 32 0A 58 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.954 14.4-165.8-108.9 109.2 21.9 27.4 16.5 59 60 A E E -c 33 0A 37 -27,-2.5 -25,-3.0 -2,-0.6 2,-1.1 -0.854 17.8-145.2-107.9 122.4 25.2 27.4 18.3 60 61 A D E +c 34 0A 96 -2,-0.5 4,-0.2 -27,-0.2 3,-0.2 -0.764 33.6 159.2 -86.4 98.8 28.6 27.2 16.4 61 62 A L > + 0 0 7 -27,-2.4 4,-2.9 -2,-1.1 5,-0.2 0.297 35.7 107.7-103.2 9.8 30.6 25.2 18.8 62 63 A R H > S+ 0 0 59 -28,-0.4 4,-2.2 1,-0.2 5,-0.2 0.892 79.7 45.7 -64.3 -46.6 33.3 23.9 16.4 63 64 A R H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.940 115.2 46.7 -62.2 -46.3 36.2 26.0 17.7 64 65 A E H >>S+ 0 0 66 1,-0.2 4,-2.6 -4,-0.2 5,-0.6 0.865 107.7 58.3 -60.9 -41.3 35.5 25.3 21.3 65 66 A F H X>S+ 0 0 0 -4,-2.9 5,-3.0 1,-0.2 4,-1.1 0.943 111.6 41.7 -52.9 -49.2 35.1 21.7 20.5 66 67 A V H <>S+ 0 0 0 -4,-2.2 5,-2.5 3,-0.2 -2,-0.2 0.965 122.2 35.9 -62.7 -57.7 38.7 21.7 19.1 67 68 A T H <5S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.849 128.7 28.3 -74.5 -32.5 40.4 23.8 21.7 68 69 A D H <5S+ 0 0 81 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.525 133.6 21.3-107.1 -10.3 38.7 22.8 24.9 69 70 A Y T X4 S+ 0 0 13 -6,-0.2 3,-0.9 2,-0.2 4,-0.5 0.932 107.9 47.9 -66.9 -46.7 41.9 18.2 26.2 73 74 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-1.4 0.879 104.6 63.1 -57.7 -36.7 41.6 14.5 25.3 74 75 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.806 85.9 73.1 -58.4 -27.6 44.9 14.8 23.4 75 76 A L T <<5S+ 0 0 8 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.826 109.5 31.5 -61.7 -28.4 46.7 15.6 26.7 76 77 A G T < 5S- 0 0 2 -3,-1.4 -1,-0.3 -4,-0.5 3,-0.2 0.231 106.0-122.2-101.8 6.2 46.3 11.9 27.6 77 78 A N T < 5 - 0 0 14 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.921 44.9-147.3 39.7 52.1 46.5 10.6 24.0 78 79 A A < + 0 0 1 -5,-2.3 2,-0.4 7,-0.1 -1,-0.2 -0.199 33.8 163.5 -61.4 127.4 43.1 9.3 25.1 79 80 A M > - 0 0 81 -3,-0.2 3,-0.7 231,-0.2 2,-0.5 -0.975 30.2-138.5-142.5 122.8 42.2 5.9 23.5 80 81 A Y B >> S-E 84 0B 11 4,-2.8 4,-2.4 -2,-0.4 3,-1.8 -0.732 85.3 -5.6 -87.1 127.2 39.5 3.8 25.0 81 82 A E T 34 S- 0 0 21 -2,-0.5 -1,-0.2 1,-0.3 613,-0.1 0.887 127.2 -63.8 53.7 40.7 40.3 0.1 25.1 82 83 A G T <4 S+ 0 0 32 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.349 133.4 41.0 79.4 -7.4 43.5 0.6 23.3 83 84 A R T <4 S+ 0 0 45 -3,-1.8 2,-0.5 1,-0.1 -2,-0.2 0.647 77.1 93.6-141.7 -39.8 41.8 1.8 20.1 84 85 A Y B < -E 80 0B 4 -4,-2.4 -4,-2.8 1,-0.1 -1,-0.1 -0.616 48.5-157.4 -89.6 124.0 38.8 4.2 20.2 85 86 A L - 0 0 14 -2,-0.5 -1,-0.1 -6,-0.2 -7,-0.1 0.333 35.9-125.2 -85.1 6.1 39.6 7.9 19.9 86 87 A L > + 0 0 0 1,-0.1 4,-2.4 -6,-0.1 5,-0.3 0.667 48.3 160.7 74.9 27.4 36.3 8.9 21.6 87 88 A G H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 95,-0.2 0.819 76.4 39.6 -55.9 -39.7 34.8 11.2 19.0 88 89 A T H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 115.8 52.0 -72.2 -41.7 31.2 11.0 20.2 89 90 A A H 4 S+ 0 0 1 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.798 106.3 52.2 -66.7 -34.1 32.1 11.0 23.8 90 91 A I H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.836 111.2 48.2 -72.1 -33.7 34.3 14.1 23.6 91 92 A A H X S+ 0 0 0 -4,-0.9 4,-2.3 -5,-0.3 3,-0.4 0.856 97.6 68.1 -75.2 -36.6 31.5 16.1 21.9 92 93 A R H X S+ 0 0 23 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.882 96.0 51.2 -60.8 -44.5 28.6 15.3 24.2 93 94 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.877 111.6 49.0 -59.8 -36.4 29.8 17.1 27.4 94 95 A L H X S+ 0 0 1 -4,-0.6 4,-2.5 -3,-0.4 5,-0.3 0.939 112.9 47.5 -65.0 -48.1 30.3 20.3 25.4 95 96 A I H X S+ 0 0 19 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.930 115.1 45.2 -57.6 -44.0 26.8 20.0 23.8 96 97 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.868 110.8 53.6 -69.2 -39.1 25.2 19.3 27.2 97 98 A K H X S+ 0 0 59 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.939 109.5 47.2 -61.8 -49.5 27.2 22.2 28.9 98 99 A R H X S+ 0 0 66 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.887 110.4 54.5 -60.1 -34.8 26.0 24.7 26.3 99 100 A Q H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.920 107.8 48.7 -62.9 -46.3 22.4 23.4 26.7 100 101 A V H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 110.4 51.8 -59.8 -42.2 22.6 24.0 30.5 101 102 A E H X S+ 0 0 68 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.886 110.4 48.1 -65.6 -36.8 23.9 27.5 29.8 102 103 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.874 110.0 51.8 -71.7 -36.6 20.9 28.2 27.4 103 104 A A H X>S+ 0 0 0 -4,-2.4 5,-3.2 1,-0.2 4,-0.7 0.933 112.6 46.7 -64.1 -39.5 18.4 26.9 30.0 104 105 A E H <5S+ 0 0 91 -4,-2.4 3,-0.4 3,-0.2 -2,-0.2 0.871 111.5 49.5 -70.0 -40.0 19.9 29.2 32.6 105 106 A K H <5S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 118.7 40.6 -61.0 -38.4 20.0 32.2 30.3 106 107 A E H <5S- 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.501 108.4-122.8 -88.1 -8.7 16.3 31.5 29.4 107 108 A G T <5 + 0 0 49 -4,-0.7 2,-0.2 -3,-0.4 -104,-0.2 0.898 49.9 169.3 58.6 42.4 15.3 30.6 33.0 108 109 A A < - 0 0 7 -5,-3.2 -1,-0.2 -6,-0.2 -104,-0.2 -0.616 31.3-153.7 -81.4 148.0 14.1 27.2 31.7 109 110 A Q S S+ 0 0 74 -106,-1.3 28,-2.6 -2,-0.2 2,-0.3 0.657 74.1 45.5 -91.6 -19.6 13.2 24.8 34.4 110 111 A Y E -bd 4 137A 46 -107,-1.5 -105,-2.1 26,-0.2 2,-0.4 -0.926 56.5-161.2-131.5 146.0 13.9 21.7 32.3 111 112 A V E -bd 5 138A 0 26,-2.4 28,-2.8 -2,-0.3 2,-0.3 -0.963 21.0-168.4-116.3 144.6 16.5 20.3 29.9 112 113 A A E -bd 6 139A 0 -107,-3.0 -105,-2.5 -2,-0.4 2,-0.3 -0.971 9.4-176.2-134.8 153.1 15.6 17.5 27.5 113 114 A H - 0 0 0 26,-1.8 29,-0.3 -2,-0.3 -105,-0.1 -0.970 24.6-142.7-143.0 160.5 17.3 15.1 25.2 114 115 A G + 0 0 12 -107,-0.4 3,-0.1 -2,-0.3 26,-0.1 0.095 49.7 137.0-109.1 20.2 16.5 12.4 22.7 115 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0.890 127.1 20.2 -91.1 -51.3 55.2 19.5 -0.4 236 238 A D T 4 S- 0 0 100 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.454 96.6-122.0-110.4 -0.3 52.6 22.2 -1.2 237 239 A G < + 0 0 50 -4,-1.7 -3,-0.1 1,-0.2 0, 0.0 0.342 51.0 156.8 81.5 -6.0 53.4 24.9 1.4 238 240 A T - 0 0 40 -6,-0.1 -5,-2.9 1,-0.0 2,-0.4 -0.308 19.1-172.8 -49.5 135.1 49.9 25.1 3.0 239 241 A E E +K 232 0D 114 -7,-0.2 2,-0.4 -9,-0.0 -7,-0.2 -0.999 9.6 179.5-135.5 138.9 50.3 26.5 6.6 240 242 A K E +K 231 0D 64 -9,-2.3 -9,-2.6 -2,-0.4 -11,-0.0 -0.999 15.0 163.6-138.8 132.8 47.6 26.7 9.3 241 243 A T + 0 0 89 -2,-0.4 -1,-0.1 -11,-0.2 -9,-0.0 0.579 50.9 98.1-116.6 -25.5 48.0 28.1 12.8 242 244 A D S > S- 0 0 36 1,-0.1 4,-2.7 2,-0.0 5,-0.3 -0.446 76.2-130.9 -65.0 134.5 44.4 28.7 13.9 243 245 A P H > S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.880 105.2 44.1 -58.6 -42.8 43.3 25.7 16.0 244 246 A L H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.956 117.0 45.6 -66.3 -45.7 40.0 25.2 14.0 245 247 A E H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 113.5 49.7 -63.0 -41.7 41.7 25.6 10.6 246 248 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.905 112.1 47.3 -64.8 -40.9 44.6 23.4 11.5 247 249 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.934 111.9 50.0 -70.6 -41.4 42.3 20.6 12.7 248 250 A E H X S+ 0 0 67 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 109.6 52.6 -60.7 -38.4 40.1 20.9 9.7 249 251 A Y H X S+ 0 0 14 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.922 107.2 50.4 -64.3 -44.2 43.2 20.7 7.5 250 252 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.885 110.1 52.5 -59.4 -39.0 44.3 17.5 9.3 251 253 A N H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.932 111.2 46.8 -58.8 -47.3 40.8 16.1 8.6 252 254 A E H X S+ 0 0 122 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.930 114.7 44.4 -61.4 -51.9 41.1 16.9 4.9 253 255 A V H X S+ 0 0 7 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.928 116.6 47.7 -60.8 -46.2 44.6 15.4 4.5 254 256 A G H <>S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.3 4,-0.4 0.935 111.8 47.6 -59.7 -48.3 43.6 12.4 6.5 255 257 A A H ><5S+ 0 0 9 -4,-2.7 -48,-2.3 1,-0.2 3,-1.0 0.912 111.9 50.2 -62.2 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-91.8 129.7 30.5 -3.3 17.3 276 278 A G E -GH 187 264C 0 -12,-2.8 -12,-2.4 -2,-0.5 2,-0.5 -0.927 25.9-153.2-132.6 149.2 31.4 0.1 15.8 277 279 A V E -GH 186 263C 0 -91,-2.5 -91,-2.1 -2,-0.3 2,-0.4 -0.998 24.9-171.9-119.5 127.0 33.1 1.4 12.7 278 280 A Y E -GH 185 262C 5 -16,-3.0 -16,-1.9 -2,-0.5 2,-0.5 -0.923 19.5-160.2-125.4 142.1 34.8 4.8 13.2 279 281 A E E +GH 184 261C 0 -95,-2.5 -95,-1.6 -2,-0.4 -18,-0.2 -0.969 22.3 159.5-121.3 110.5 36.4 7.3 10.8 280 282 A T > + 0 0 5 -20,-2.3 4,-1.6 -2,-0.5 5,-0.2 -0.583 5.0 163.1-132.1 69.4 38.7 9.8 12.6 281 283 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.942 71.5 36.0 -62.0 -52.7 41.0 11.2 10.0 282 284 A G H > S+ 0 0 0 1,-0.2 4,-2.1 -101,-0.2 5,-0.2 0.919 117.8 47.1 -74.0 -47.0 42.5 14.3 11.6 283 285 A A H > S+ 0 0 0 -101,-0.4 4,-3.1 2,-0.2 5,-0.3 0.851 104.5 62.2 -66.5 -28.3 42.8 13.2 15.2 284 286 A T H X S+ 0 0 29 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.955 108.8 43.6 -59.7 -43.7 44.4 10.0 14.2 285 287 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.934 114.8 48.1 -63.0 -48.8 47.2 12.1 12.7 286 288 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.908 109.7 51.7 -64.7 -41.5 47.4 14.4 15.7 287 289 A W H X S+ 0 0 11 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.919 112.2 46.5 -62.1 -42.4 47.4 11.7 18.3 288 290 A I H X S+ 0 0 60 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.931 114.5 47.1 -68.0 -42.8 50.3 9.9 16.5 289 291 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.919 110.7 52.0 -63.9 -42.1 52.3 13.0 16.1 290 292 A H H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 108.9 48.9 -63.5 -47.0 51.8 14.1 19.7 291 293 A R H X S+ 0 0 39 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.913 109.3 54.9 -61.0 -39.6 53.0 10.7 21.2 292 294 A D H X S+ 0 0 1 -4,-2.0 4,-0.6 1,-0.2 3,-0.4 0.941 107.9 47.7 -60.9 -43.2 56.1 11.0 18.9 293 295 A L H >X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 3,-1.1 0.878 105.1 60.2 -63.3 -38.5 56.9 14.4 20.3 294 296 A E H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.848 93.8 67.4 -57.6 -31.9 56.5 13.1 23.9 295 297 A G H 3< S+ 0 0 5 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.823 109.8 32.9 -54.4 -38.6 59.2 10.6 23.1 296 298 A I H << S+ 0 0 3 -3,-1.1 69,-0.3 -4,-0.6 -1,-0.2 0.643 129.2 34.1 -95.1 -14.0 61.8 13.3 22.9 297 299 A T H < S+ 0 0 27 -4,-1.3 2,-0.2 -3,-0.2 -3,-0.2 0.746 93.4 85.7-112.1 -32.0 60.4 15.7 25.5 298 300 A M S < S- 0 0 7 -4,-2.7 2,-0.1 -5,-0.2 40,-0.1 -0.532 76.3-113.8 -89.1 142.3 58.7 13.8 28.4 299 301 A D > - 0 0 23 -2,-0.2 4,-2.9 38,-0.1 5,-0.2 -0.426 27.2-124.5 -63.8 140.1 60.5 12.5 31.4 300 302 A K H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.856 107.7 45.1 -55.1 -45.6 60.4 8.7 31.5 301 303 A E H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 113.2 50.8 -75.3 -33.4 58.8 8.3 35.0 302 304 A V H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.947 112.2 47.7 -61.4 -49.3 56.2 10.9 34.2 303 305 A M H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.917 111.2 51.8 -58.8 -45.5 55.4 9.1 30.9 304 306 A H H X S+ 0 0 28 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.950 113.0 42.9 -58.9 -45.7 55.2 5.8 32.7 305 307 A L H X S+ 0 0 5 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.923 114.5 50.9 -66.2 -44.5 52.7 7.2 35.4 306 308 A R H X S+ 0 0 1 -4,-2.9 4,-1.2 1,-0.2 3,-0.3 0.942 109.9 49.5 -57.4 -46.6 50.7 9.0 32.7 307 309 A D H < S+ 0 0 16 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.855 107.5 54.8 -65.7 -34.1 50.4 5.8 30.6 308 310 A M H < S+ 0 0 18 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.877 115.8 39.4 -61.8 -32.8 49.3 3.8 33.7 309 311 A L H X S+ 0 0 3 -4,-1.7 4,-2.4 -3,-0.3 3,-0.3 0.562 91.6 88.9 -94.2 -10.7 46.5 6.3 34.2 310 312 A A H X S+ 0 0 17 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.883 83.4 55.9 -66.6 -36.6 45.6 6.9 30.6 311 313 A P H > S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.928 109.4 47.7 -56.7 -41.8 43.0 4.0 30.5 312 314 A K H > S+ 0 0 26 -4,-0.3 4,-2.5 -3,-0.3 -2,-0.2 0.923 110.1 52.6 -62.7 -43.3 41.2 5.6 33.5 313 315 A F H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.949 111.9 45.1 -58.4 -45.5 41.3 9.0 31.7 314 316 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.869 111.3 53.9 -65.9 -39.1 39.8 7.5 28.6 315 317 A E H X S+ 0 0 29 -4,-2.2 4,-2.8 -5,-0.2 6,-0.2 0.916 106.2 52.3 -58.3 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482 82 B E T 34 S- 0 0 19 -2,-0.4 -1,-0.2 1,-0.3 -187,-0.1 0.879 128.2 -62.0 52.6 39.5 56.1 3.7 25.7 483 83 B G T <4 S+ 0 0 32 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.273 133.2 37.5 86.1 -15.6 53.1 3.2 23.6 484 84 B R T <4 S+ 0 0 44 -3,-1.9 2,-0.4 1,-0.1 -2,-0.2 0.624 77.3 98.2-140.0 -40.3 54.9 1.8 20.5 485 85 B Y B < -Q 481 0F 4 -4,-2.3 -4,-2.8 1,-0.1 -1,-0.1 -0.573 47.3-157.6 -83.3 125.4 57.9 -0.5 20.9 486 86 B L - 0 0 15 -2,-0.4 -1,-0.1 -6,-0.2 -7,-0.1 0.331 36.3-123.7 -90.2 6.2 57.2 -4.2 20.5 487 87 B L > + 0 0 0 -6,-0.1 4,-2.5 1,-0.1 5,-0.3 0.710 48.8 160.6 73.6 24.4 60.4 -5.2 22.5 488 88 B G H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 93,-0.2 0.845 76.6 38.8 -47.2 -44.0 62.1 -7.4 19.9 489 89 B T H > S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.895 116.2 51.4 -74.5 -40.1 65.6 -7.1 21.5 490 90 B A H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.806 106.6 53.1 -69.6 -33.2 64.4 -7.3 25.0 491 91 B I H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.862 108.9 49.1 -73.0 -35.2 62.2 -10.4 24.6 492 92 B A H X S+ 0 0 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-2.2 27.9 522 122 B D H 3> S+ 0 0 37 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.858 90.1 60.5 -64.2 -35.5 71.6 -5.8 26.9 523 123 B Q H 3> S+ 0 0 0 -6,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.866 104.6 50.6 -57.0 -34.1 74.1 -6.2 29.6 524 124 B V H <> S+ 0 0 1 -3,-0.8 4,-2.8 -4,-0.2 5,-0.3 0.895 106.9 53.1 -69.6 -42.8 71.4 -5.7 32.1 525 125 B R H X S+ 0 0 7 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.888 113.2 44.3 -61.8 -41.8 69.1 -8.2 30.5 526 126 B F H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.972 117.3 43.3 -59.9 -57.9 71.8 -10.8 30.7 527 127 B E H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.830 110.8 51.6 -71.4 -32.6 72.9 -10.1 34.2 528 128 B L H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -1,-0.3 0.846 111.7 50.4 -68.2 -32.3 69.5 -9.7 35.9 529 129 B T H X S+ 0 0 2 -4,-1.0 4,-1.9 -5,-0.3 5,-0.3 0.943 109.1 50.0 -70.5 -43.5 68.7 -13.1 34.3 530 130 B Y H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 7,-0.2 0.934 113.4 47.1 -54.2 -47.1 71.9 -14.7 35.6 531 131 B A H < S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.6 47.2 -63.5 -40.6 71.0 -13.3 39.1 532 132 B A H < S+ 0 0 12 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.775 121.3 34.6 -71.2 -31.8 67.4 -14.4 39.0 533 133 B L H < S+ 0 0 46 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.801 136.5 0.0 -99.1 -39.0 68.2 -18.0 37.8 534 134 B N >< + 0 0 20 -4,-2.8 3,-1.6 -5,-0.3 -1,-0.2 -0.540 53.6 177.4-155.7 85.7 71.5 -18.9 39.5 535 135 B P T 3 S+ 0 0 26 0, 0.0 -4,-0.1 0, 0.0 -146,-0.1 0.560 78.2 73.4 -66.6 -6.0 73.2 -16.4 41.7 536 136 B N T 3 S+ 0 0 123 2,-0.1 2,-0.2 -147,-0.0 -5,-0.1 0.705 77.5 94.6 -79.2 -22.0 75.9 -19.0 42.5 537 137 B L S < S- 0 0 15 -3,-1.6 2,-0.3 -7,-0.2 -26,-0.2 -0.507 77.1-131.1 -70.1 136.7 77.4 -18.4 39.0 538 138 B K E -p 511 0E 74 -28,-3.0 -26,-2.5 -2,-0.2 2,-0.4 -0.707 21.7-137.7 -89.1 142.8 80.1 -15.9 38.7 539 139 B V E -p 512 0E 63 -2,-0.3 2,-0.5 -28,-0.2 -26,-0.2 -0.870 13.6-164.8-112.2 130.9 79.7 -13.4 36.0 540 140 B I E +p 513 0E 27 -28,-2.3 -26,-1.7 -2,-0.4 -29,-0.0 -0.973 12.1 171.1-114.6 122.6 82.4 -12.1 33.6 541 141 B S > - 0 0 14 -2,-0.5 3,-2.4 -28,-0.2 4,-0.2 -0.830 10.9-171.1-132.3 87.7 81.6 -8.9 31.6 542 142 B P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 7,-0.3 0.842 81.9 64.3 -55.5 -31.6 84.9 -7.9 29.9 543 143 B W G 3 S+ 0 0 33 -27,-0.4 -25,-0.2 -29,-0.3 -169,-0.1 0.479 108.2 41.8 -77.2 0.2 83.4 -4.5 28.8 544 144 B K G < S+ 0 0 3 -3,-2.4 -1,-0.3 -27,-0.1 -166,-0.1 0.206 91.9 104.7-118.5 13.7 83.0 -3.5 32.5 545 145 B D <> - 0 0 50 -3,-2.0 4,-2.7 -4,-0.2 5,-0.3 -0.844 66.3-145.2 -97.1 118.2 86.5 -4.9 33.5 546 146 B P H > S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.847 98.4 50.5 -53.9 -36.3 89.0 -2.1 34.0 547 147 B E H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 112.4 44.6 -69.3 -43.3 91.9 -4.3 32.7 548 148 B F H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.911 114.0 51.2 -67.3 -39.9 90.0 -5.3 29.5 549 149 B L H < S+ 0 0 59 -4,-2.7 -1,-0.2 -7,-0.3 -2,-0.2 0.818 108.8 51.1 -65.8 -34.2 88.9 -1.7 29.0 550 150 B A H >< S+ 0 0 80 -4,-1.7 3,-0.5 -5,-0.3 -2,-0.2 0.945 114.6 43.3 -66.3 -49.9 92.5 -0.5 29.4 551 151 B K H 3< S+ 0 0 101 -4,-2.3 2,-0.8 1,-0.3 3,-0.2 0.894 117.5 44.6 -63.1 -43.2 93.8 -3.0 26.8 552 152 B F T 3< + 0 0 6 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.1 -0.554 61.4 154.3-110.3 70.6 91.0 -2.5 24.3 553 153 B K S < S- 0 0 85 -2,-0.8 2,-0.3 -3,-0.5 -1,-0.2 0.760 71.4 -6.4 -66.7 -27.2 90.6 1.2 24.1 554 154 B G S >> S- 0 0 33 -3,-0.2 4,-1.3 1,-0.1 3,-0.9 -0.952 83.4 -80.8-158.8 179.0 89.2 0.9 20.5 555 155 B R H 3> S+ 0 0 163 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.859 119.8 61.8 -57.2 -39.1 88.4 -1.3 17.5 556 156 B T H 3> S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.892 102.3 51.8 -55.3 -39.6 92.0 -1.1 16.3 557 157 B D H <> S+ 0 0 62 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.886 110.0 48.4 -65.6 -38.8 93.1 -2.8 19.5 558 158 B L H X S+ 0 0 7 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.939 112.9 48.7 -63.8 -46.8 90.6 -5.6 19.1 559 159 B I H X S+ 0 0 68 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.888 111.5 48.1 -62.6 -44.4 91.7 -6.0 15.5 560 160 B N H X S+ 0 0 89 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.879 110.6 51.3 -65.9 -38.3 95.5 -6.1 16.3 561 161 B Y H X S+ 0 0 11 -4,-1.9 4,-2.7 -5,-0.2 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S+ 0 0 25 -4,-1.2 -3,-0.2 -3,-0.1 -2,-0.2 0.778 93.0 83.5-111.8 -35.7 35.0 15.8 52.5 1096 300 C M S < S- 0 0 7 -4,-2.5 2,-0.1 -5,-0.2 40,-0.1 -0.449 78.2-111.2 -88.3 143.6 36.7 14.0 49.6 1097 301 C D > - 0 0 24 -2,-0.2 4,-2.6 38,-0.2 5,-0.2 -0.479 28.2-123.1 -62.3 140.9 34.9 12.6 46.6 1098 302 C K H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.866 108.3 45.8 -55.7 -46.0 34.9 8.8 46.5 1099 303 C E H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 112.0 51.4 -73.2 -33.2 36.5 8.4 43.1 1100 304 C V H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 111.4 48.6 -64.1 -45.1 39.2 11.0 43.8 1101 305 C M H X S+ 0 0 3 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.920 109.9 52.2 -61.7 -42.1 40.0 9.2 47.1 1102 306 C H H X S+ 0 0 32 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.938 113.2 42.8 -62.3 -47.1 40.2 5.9 45.3 1103 307 C L H X S+ 0 0 6 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.908 114.7 50.3 -65.8 -43.7 42.7 7.2 42.7 1104 308 C R H X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.2 3,-0.3 0.942 110.3 50.2 -59.4 -44.1 44.7 9.0 45.3 1105 309 C D H < S+ 0 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0 0 81 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.537 133.0 24.2-110.1 -6.6 37.6 -19.0 52.5 1263 70 D Y T X4 S+ 0 0 12 -3,-0.3 3,-1.0 -6,-0.2 4,-0.5 0.936 107.4 47.1 -71.7 -44.6 40.9 -14.3 51.4 1267 74 D A H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.3 3,-1.4 0.871 104.7 63.5 -59.8 -37.4 40.5 -10.6 52.3 1268 75 D L H ><5S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.3 -1,-0.3 0.769 85.8 73.8 -58.7 -29.8 43.7 -11.0 54.4 1269 76 D L T <<5S+ 0 0 9 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.833 109.7 29.5 -55.5 -32.7 45.6 -11.8 51.2 1270 77 D G T < 5S- 0 0 1 -3,-1.4 -1,-0.3 -4,-0.5 3,-0.2 0.195 107.3-118.4-106.9 13.1 45.4 -8.1 50.3 1271 78 D N T < 5 - 0 0 10 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.883 46.2-146.7 43.5 48.2 45.3 -6.7 53.9 1272 79 D A < + 0 0 0 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.122 33.9 163.1 -59.1 126.9 42.0 -5.5 52.5 1273 80 D M > - 0 0 84 -3,-0.2 3,-0.8 229,-0.2 2,-0.5 -0.975 30.6-138.0-142.4 118.2 41.1 -2.1 54.0 1274 81 D Y B >> S-O 1278 0N 10 4,-3.0 4,-2.4 -2,-0.4 3,-1.8 -0.709 84.4 -9.0 -81.5 128.3 38.4 0.0 52.4 1275 82 D E T 34 S- 0 0 19 -2,-0.5 -1,-0.2 1,-0.3 -182,-0.0 0.849 127.7 -61.3 55.2 37.9 39.2 3.7 52.3 1276 83 D G T <4 S+ 0 0 31 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.1 0.196 133.3 36.4 90.3 -20.8 42.2 3.2 54.5 1277 84 D R T <4 S+ 0 0 43 -3,-1.8 2,-0.4 1,-0.1 -2,-0.2 0.652 77.7 99.0-141.5 -38.4 40.5 1.9 57.5 1278 85 D Y B < -O 1274 0N 4 -4,-2.4 -4,-3.0 1,-0.1 -2,-0.1 -0.580 46.9-158.4 -86.8 125.2 37.5 -0.3 57.2 1279 86 D L - 0 0 14 -2,-0.4 -1,-0.1 -6,-0.2 5,-0.1 0.350 34.8-125.9 -88.6 6.0 38.0 -4.1 57.5 1280 87 D L > + 0 0 0 -6,-0.1 4,-2.6 1,-0.1 5,-0.3 0.693 48.3 159.3 69.8 29.1 34.9 -5.1 55.6 1281 88 D G H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 93,-0.2 0.859 77.5 41.0 -55.9 -38.3 33.2 -7.4 58.1 1282 89 D T H > S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.930 115.9 49.7 -75.3 -40.3 29.7 -7.0 56.6 1283 90 D A H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.799 106.9 54.2 -66.7 -34.9 30.9 -7.1 53.0 1284 91 D I H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.867 108.9 48.7 -71.5 -33.4 33.0 -10.3 53.4 1285 92 D A H X S+ 0 0 4 -4,-1.0 4,-2.1 -5,-0.3 3,-0.3 0.846 97.8 67.3 -74.2 -34.6 30.1 -12.4 54.9 1286 93 D R H X S+ 0 0 7 -4,-1.3 4,-3.2 1,-0.2 5,-0.3 0.874 95.4 51.6 -64.6 -42.2 27.5 -11.6 52.3 1287 94 D P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.897 111.5 50.8 -61.8 -33.5 28.9 -13.4 49.2 1288 95 D L H X S+ 0 0 1 -4,-0.6 4,-2.1 -3,-0.3 -2,-0.2 0.935 111.5 46.1 -64.2 -49.1 29.3 -16.5 51.4 1289 96 D I H X S+ 0 0 33 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.941 115.7 46.7 -61.2 -47.3 25.7 -16.4 52.5 1290 97 D A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.885 109.2 54.0 -63.1 -40.2 24.5 -15.7 49.0 1291 98 D K H X S+ 0 0 59 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.938 108.2 48.3 -60.2 -47.0 26.6 -18.5 47.4 1292 99 D R H X S+ 0 0 76 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.902 109.0 55.7 -62.6 -36.5 25.2 -21.1 49.8 1293 100 D Q H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.915 107.3 48.6 -57.6 -46.7 21.7 -19.9 49.0 1294 101 D V H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.914 110.0 51.9 -60.9 -43.2 22.4 -20.4 45.3 1295 102 D E H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.849 108.7 50.3 -62.9 -38.4 23.7 -24.0 46.0 1296 103 D I H X S+ 0 0 2 -4,-2.1 4,-3.2 2,-0.2 6,-0.3 0.919 109.3 51.6 -64.6 -43.5 20.6 -24.9 48.0 1297 104 D A H X>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.7 0.923 110.4 48.7 -62.3 -41.2 18.4 -23.6 45.1 1298 105 D E H ><5S+ 0 0 102 -4,-2.5 3,-0.7 3,-0.2 -1,-0.2 0.930 113.6 47.8 -62.0 -41.1 20.3 -25.8 42.7 1299 106 D K H 3<5S+ 0 0 78 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.889 116.6 41.4 -64.9 -44.3 19.9 -28.7 45.1 1300 107 D E H 3<5S- 0 0 57 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.492 109.1-121.9 -80.4 -4.5 16.2 -28.2 45.6 1301 108 D G T <<5 + 0 0 51 -4,-0.7 -104,-0.3 -3,-0.7 2,-0.2 0.847 53.7 167.3 57.5 35.6 15.7 -27.4 41.9 1302 109 D A < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.3 -104,-0.2 -0.580 32.6-158.2 -80.5 147.8 14.3 -24.1 43.0 1303 110 D Q S S+ 0 0 58 -106,-1.3 28,-2.9 -2,-0.2 2,-0.3 0.576 71.8 52.1-100.2 -18.9 13.8 -21.5 40.3 1304 111 D Y E -ln11981331M 58 -107,-1.6 -105,-2.1 26,-0.2 2,-0.3 -0.918 54.6-167.7-121.3 147.6 13.8 -18.4 42.6 1305 112 D V E -ln11991332M 0 26,-2.2 28,-2.6 -2,-0.3 2,-0.3 -0.962 17.1-169.6-122.5 149.9 16.0 -17.0 45.3 1306 113 D A E -ln12001333M 0 -107,-2.3 -105,-2.3 -2,-0.3 2,-0.3 -0.968 7.4-172.4-139.0 153.7 14.8 -14.1 47.6 1307 114 D H - 0 0 0 26,-1.8 29,-0.3 -2,-0.3 -105,-0.1 -0.973 23.1-143.1-148.0 158.2 16.2 -11.8 50.1 1308 115 D G + 0 0 13 -107,-0.4 3,-0.1 -2,-0.3 26,-0.1 0.110 50.3 135.0-109.9 16.3 15.0 -9.2 52.6 1309 116 D A - 0 0 18 1,-0.1 27,-0.3 6,-0.1 -2,-0.1 -0.391 61.7 -92.8 -67.3 155.4 17.7 -6.6 52.4 1310 117 D T > - 0 0 80 1,-0.1 3,-0.9 25,-0.1 6,-0.4 -0.194 24.7-117.8 -77.6 161.8 16.6 -3.0 52.2 1311 118 D G T 3 S+ 0 0 10 1,-0.2 -136,-0.2 25,-0.2 -1,-0.1 0.574 106.6 37.0 -75.5 -14.6 16.0 -1.1 49.0 1312 119 D K T 3 S+ 0 0 96 -137,-0.1 -1,-0.2 -138,-0.1 2,-0.2 0.145 99.1 87.3-126.4 20.5 18.6 1.7 49.6 1313 120 D G S < S- 0 0 13 -3,-0.9 4,-0.3 1,-0.0 150,-0.1 -0.468 78.8-109.8-110.9-175.1 21.6 -0.1 51.2 1314 121 D N S >> S+ 0 0 16 -2,-0.2 4,-1.6 1,-0.1 3,-0.7 0.744 101.6 70.4 -85.0 -31.7 24.7 -2.0 50.1 1315 122 D D H 3> S+ 0 0 55 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.859 90.7 60.1 -66.1 -33.4 23.8 -5.5 51.2 1316 123 D Q H 3> S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.888 105.9 50.2 -57.6 -37.0 21.1 -5.9 48.5 1317 124 D V H <> S+ 0 0 1 -3,-0.7 4,-2.6 -4,-0.3 5,-0.3 0.900 107.5 52.2 -67.0 -41.6 23.9 -5.4 45.9 1318 125 D R H X S+ 0 0 8 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.902 113.0 45.3 -64.2 -41.5 26.1 -7.9 47.5 1319 126 D F H X S+ 0 0 25 -4,-2.4 4,-2.3 2,-0.2 3,-0.2 0.969 116.8 43.8 -55.9 -55.6 23.3 -10.5 47.4 1320 127 D E H X S+ 0 0 16 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.810 109.6 52.9 -75.1 -31.2 22.3 -9.7 43.8 1321 128 D L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.850 111.0 49.8 -68.5 -30.8 25.7 -9.5 42.2 1322 129 D T H X S+ 0 0 1 -4,-1.1 4,-2.3 -5,-0.3 5,-0.4 0.940 110.3 49.5 -71.3 -44.8 26.5 -12.9 43.7 1323 130 D Y H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 7,-0.2 0.956 114.1 46.5 -53.7 -47.6 23.3 -14.4 42.3 1324 131 D A H < S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 114.3 46.4 -64.9 -40.2 24.1 -12.9 38.9 1325 132 D A H < S+ 0 0 7 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.813 121.1 35.1 -72.8 -34.1 27.6 -14.1 38.9 1326 133 D L H < S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.801 135.8 2.1 -96.1 -35.9 26.9 -17.7 40.1 1327 134 D N >< + 0 0 22 -4,-2.9 3,-1.8 -5,-0.4 -1,-0.2 -0.540 54.5 176.6-156.6 84.8 23.5 -18.6 38.5 1328 135 D P T 3 S+ 0 0 25 0, 0.0 -4,-0.1 0, 0.0 -141,-0.1 0.678 79.2 71.4 -64.3 -15.4 21.9 -16.0 36.2 1329 136 D N T 3 S+ 0 0 123 2,-0.1 2,-0.2 -142,-0.1 -5,-0.1 0.706 78.0 95.1 -73.1 -20.8 19.1 -18.5 35.4 1330 137 D L S < S- 0 0 14 -3,-1.8 2,-0.3 -7,-0.2 -26,-0.2 -0.506 77.2-132.0 -72.8 137.9 17.8 -18.1 39.0 1331 138 D K E -n 1304 0M 110 -28,-2.9 -26,-2.2 -2,-0.2 2,-0.5 -0.716 21.6-137.0 -89.5 146.0 15.0 -15.5 39.2 1332 139 D V E -n 1305 0M 63 -2,-0.3 2,-0.5 -28,-0.2 -26,-0.2 -0.902 12.8-162.6-115.6 128.5 15.5 -13.0 42.0 1333 140 D I E +n 1306 0M 27 -28,-2.6 -26,-1.8 -2,-0.5 5,-0.0 -0.948 13.9 169.5-109.9 125.6 12.8 -11.8 44.4 1334 141 D S > - 0 0 16 -2,-0.5 3,-2.7 -28,-0.2 4,-0.1 -0.763 10.5-173.2-136.0 85.2 13.5 -8.6 46.4 1335 142 D P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 7,-0.3 0.827 81.7 63.9 -53.3 -35.5 10.3 -7.4 48.1 1336 143 D W G 3 S+ 0 0 37 -29,-0.3 -25,-0.2 -27,-0.3 -164,-0.1 0.547 109.0 41.4 -74.5 -0.7 11.9 -4.2 49.3 1337 144 D K G < S+ 0 0 7 -3,-2.7 -1,-0.3 -27,-0.1 3,-0.1 0.179 93.6 105.3-119.2 17.3 12.3 -3.1 45.6 1338 145 D D <> - 0 0 51 -3,-2.1 4,-2.9 -4,-0.1 5,-0.3 -0.859 65.3-145.7-100.5 119.0 8.8 -4.5 44.6 1339 146 D P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.858 98.8 48.5 -53.3 -39.6 6.2 -1.8 44.0 1340 147 D E H > S+ 0 0 132 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.940 113.1 46.5 -67.7 -45.5 3.3 -3.9 45.4 1341 148 D F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.943 114.0 49.2 -60.8 -45.4 5.2 -4.9 48.5 1342 149 D L H < S+ 0 0 63 -4,-2.9 -1,-0.2 -7,-0.3 -2,-0.2 0.773 109.0 52.5 -64.4 -32.3 6.3 -1.3 49.1 1343 150 D A H < S+ 0 0 61 -4,-1.8 3,-0.5 -5,-0.3 -1,-0.2 0.936 115.5 41.4 -65.2 -46.8 2.7 -0.1 48.6 1344 151 D K H < S+ 0 0 112 -4,-2.3 2,-0.5 1,-0.2 -2,-0.2 0.802 118.1 43.6 -73.6 -35.0 1.4 -2.6 51.2 1345 152 D F < + 0 0 7 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.591 61.2 152.0-115.7 68.3 4.2 -2.2 53.8 1346 153 D K S S+ 0 0 86 -2,-0.5 2,-0.3 -3,-0.5 -1,-0.2 0.755 71.4 4.0 -69.1 -26.2 4.7 1.6 54.0 1347 154 D G S >> S- 0 0 31 -3,-0.2 4,-1.2 1,-0.0 3,-0.9 -0.923 83.3 -89.9-149.3 175.9 5.9 1.3 57.6 1348 155 D R H 3> S+ 0 0 165 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.845 119.4 61.7 -57.6 -37.2 6.8 -1.0 60.5 1349 156 D T H 3> S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.852 101.4 54.2 -61.5 -30.4 3.2 -0.9 61.8 1350 157 D D H <> S+ 0 0 53 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.898 109.8 45.8 -68.6 -42.0 2.1 -2.5 58.5 1351 158 D L H X S+ 0 0 6 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.934 114.6 48.7 -62.1 -46.8 4.6 -5.4 58.9 1352 159 D I H X S+ 0 0 64 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.849 112.0 47.8 -64.7 -40.3 3.5 -5.9 62.5 1353 160 D N H X S+ 0 0 90 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.881 110.2 51.7 -70.4 -40.4 -0.2 -5.9 61.7 1354 161 D Y H X S+ 0 0 17 -4,-2.1 4,-2.9 2,-0.2 6,-0.2 0.927 107.3 53.3 -60.3 -44.2 0.3 -8.3 58.9 1355 162 D A H X>S+ 0 0 1 -4,-2.3 5,-3.1 2,-0.2 4,-0.8 0.929 112.1 45.8 -58.7 -43.2 2.2 -10.7 61.2 1356 163 D M H ><5S+ 0 0 139 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.963 113.9 47.9 -63.4 -53.8 -0.8 -10.5 63.7 1357 164 D E H 3<5S+ 0 0 103 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 118.6 40.2 -50.1 -44.6 -3.4 -11.0 60.9 1358 165 D K H 3<5S- 0 0 97 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.464 113.1-114.4 -93.2 -0.3 -1.5 -14.0 59.4 1359 166 D G T <<5 + 0 0 56 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.863 53.5 164.7 70.4 37.0 -0.5 -15.6 62.7 1360 167 D I < - 0 0 10 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.765 47.5-105.5 -82.1 127.8 3.3 -15.1 62.3 1361 168 D P 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.291 360.0 360.0 -51.6 134.8 5.0 -15.5 65.7 1362 169 D I 0 0 169 -7,-0.0 -2,-0.1 -6,-0.0 -3,-0.1 -0.289 360.0 360.0 47.0 360.0 6.1 -12.1 67.0 1363 ! 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 1364 174 D K 0 0 184 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