==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 14-JUL-11 3SWZ . COMPND 2 MOLECULE: STEROID 17-ALPHA-HYDROXYLASE/17,20 LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.M.DEVORE,E.E.SCOTT . 1872 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 78926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1244 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 82 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 197 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 729 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.1 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 6 5 6 4 4 0 2 1 0 6 5 2 5 6 5 0 0 1 0 1 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 6 0 0 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 PARALLEL BRIDGES PER LADDER . 13 9 6 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 7 0 0 0 0 0 0 0 0 0 1 1 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 S 0 0 168 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.1 67.6 11.8 15.4 2 31 A L - 0 0 85 1,-0.1 1758,-0.2 1758,-0.0 2,-0.1 -0.706 360.0-109.6 -89.2 149.7 65.3 8.7 15.4 3 32 A L B -a 1760 0A 102 1756,-2.5 1758,-2.7 -2,-0.3 2,-0.2 -0.441 19.6-109.0 -88.5 149.4 61.6 9.4 14.4 4 33 A S - 0 0 110 1756,-0.2 -1,-0.1 -2,-0.1 1758,-0.1 -0.510 44.1-108.1 -61.8 138.4 58.4 9.4 16.3 5 34 A L - 0 0 29 1756,-0.3 1442,-0.1 -2,-0.2 2,-0.1 -0.426 38.9 -97.9 -63.3 142.8 56.2 6.4 15.4 6 35 A P - 0 0 36 0, 0.0 1442,-1.9 0, 0.0 2,-0.6 -0.492 41.1-143.0 -57.0 137.1 53.2 7.3 13.3 7 36 A L E +c 1448 0B 80 1440,-0.2 1442,-0.2 1,-0.1 3,-0.1 -0.914 26.0 175.9-112.3 106.3 50.3 7.5 15.8 8 37 A V E S- 0 0 13 1440,-2.5 2,-0.3 -2,-0.6 1441,-0.2 0.649 72.0 -1.3 -76.4 -15.3 46.9 6.2 14.6 9 38 A G E -c 1449 0B 4 1439,-0.7 1441,-1.8 1414,-0.2 2,-0.3 -0.950 57.1-163.7 179.8 148.1 45.1 6.8 18.0 10 39 A S E -cD14501422B 23 1412,-2.8 1412,-1.0 -2,-0.3 1441,-0.2 -0.993 1.3-172.3-149.5 132.6 45.7 7.9 21.6 11 40 A L E -c 1451 0B 1 1439,-2.6 1441,-2.3 -2,-0.3 1410,-0.1 -0.994 25.6-135.3-130.6 140.6 43.7 7.6 24.9 12 41 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 1439,-0.1 0.453 85.8 5.6 -76.0 -7.5 44.7 9.4 28.1 13 42 A F S S- 0 0 24 1437,-0.1 1439,-0.4 1439,-0.1 1437,-0.0 -0.945 93.5 -74.7-162.2 167.9 44.2 6.3 30.4 14 43 A L > - 0 0 43 -2,-0.3 3,-1.1 1437,-0.2 2,-0.1 -0.407 41.8-123.9 -72.8 134.3 43.5 2.6 30.0 15 44 A P T 3 S+ 0 0 7 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.442 95.2 17.9 -71.9 156.8 40.0 1.3 29.2 16 45 A R T 3 S+ 0 0 19 1,-0.2 2,-0.5 2,-0.1 3,-0.1 0.710 98.6 114.8 50.0 26.3 38.4 -1.2 31.6 17 46 A H S < S- 0 0 109 -3,-1.1 -1,-0.2 1,-0.1 6,-0.1 -0.984 80.7 -26.4-122.8 118.8 41.0 -0.1 34.3 18 47 A G S S- 0 0 50 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.1 0.066 103.8 -40.5 70.6 176.7 39.6 1.6 37.4 19 48 A H > - 0 0 44 1,-0.1 4,-2.7 -3,-0.1 3,-0.3 -0.674 47.4-138.5 -79.8 127.6 36.3 3.5 37.5 20 49 A M H > S+ 0 0 11 -2,-0.4 4,-3.1 2,-0.2 5,-0.3 0.880 103.1 52.3 -38.0 -59.3 35.6 5.8 34.4 21 50 A H H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.868 113.7 43.4 -58.2 -38.9 34.3 8.7 36.5 22 51 A N H > S+ 0 0 54 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.882 111.3 55.5 -72.6 -36.0 37.4 8.6 38.7 23 52 A N H X S+ 0 0 10 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.977 109.9 46.2 -58.1 -52.0 39.6 8.3 35.6 24 53 A F H < S+ 0 0 2 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.889 111.8 51.5 -55.5 -41.8 38.1 11.4 34.1 25 54 A F H >< S+ 0 0 46 -4,-1.7 3,-1.3 -5,-0.3 4,-0.2 0.878 105.2 54.0 -68.8 -38.4 38.5 13.2 37.4 26 55 A K H >< S+ 0 0 97 -4,-2.4 3,-1.2 1,-0.3 4,-0.4 0.819 101.8 62.7 -59.4 -33.3 42.2 12.4 37.8 27 56 A L T >X S+ 0 0 13 -4,-1.5 4,-2.3 1,-0.2 3,-0.6 0.690 82.4 78.7 -67.7 -16.1 42.7 13.8 34.4 28 57 A Q H <> S+ 0 0 32 -3,-1.3 4,-1.2 -4,-0.4 -1,-0.2 0.701 82.9 65.9 -70.1 -16.2 41.5 17.3 35.6 29 58 A K H <4 S+ 0 0 173 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.882 114.1 26.0 -69.4 -41.3 45.0 17.8 37.1 30 59 A K H <4 S+ 0 0 146 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.1 0.842 134.7 31.4 -86.1 -39.0 46.8 17.9 33.7 31 60 A Y H < S- 0 0 84 -4,-2.3 3,-0.4 1,-0.2 -3,-0.2 0.394 102.8-120.0-109.4 0.9 44.0 19.0 31.4 32 61 A G < - 0 0 25 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.097 48.8 -54.4 80.4 178.3 41.7 21.3 33.6 33 62 A P S S+ 0 0 56 0, 0.0 15,-2.9 0, 0.0 2,-0.4 0.529 120.3 46.7 -76.3 -1.9 38.0 20.9 34.4 34 63 A I E +E 47 0B 10 -3,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.945 64.1 136.2-145.5 127.5 36.9 20.6 30.8 35 64 A Y E -E 46 0B 1 11,-1.5 11,-3.0 -2,-0.4 2,-0.3 -0.925 31.4-130.1-155.9 174.5 38.2 18.5 27.9 36 65 A S E -Ef 451419B 9 1382,-2.1 1384,-3.0 -2,-0.3 1385,-0.6 -0.939 3.7-158.5-139.9 152.6 37.2 16.3 25.0 37 66 A V E -Ef 441421B 3 7,-1.9 7,-3.0 -2,-0.3 2,-0.5 -0.972 18.3-139.9-130.5 142.6 37.9 12.9 23.4 38 67 A R E -Ef 431422B 100 1383,-3.2 1385,-1.3 -2,-0.3 2,-0.7 -0.935 13.5-172.0-113.0 117.3 37.1 12.1 19.7 39 68 A M E > -Ef 421423B 25 3,-3.1 3,-1.0 -2,-0.5 2,-0.9 -0.808 65.3 -60.9-111.3 91.7 35.8 8.6 18.8 40 69 A G T 3 S- 0 0 16 1383,-1.7 1383,-0.1 -2,-0.7 1385,-0.1 -0.678 121.6 -20.3 73.5-106.5 35.6 8.1 15.1 41 70 A T T 3 S+ 0 0 127 -2,-0.9 -1,-0.3 1383,-0.0 0, 0.0 0.776 120.5 94.8 -94.7 -43.2 33.2 10.9 14.2 42 71 A K E < -E 39 0B 86 -3,-1.0 -3,-3.1 -4,-0.1 2,-0.4 -0.213 59.0-158.1 -51.7 129.6 31.6 11.3 17.7 43 72 A T E -E 38 0B 42 -5,-0.2 316,-2.1 314,-0.2 2,-0.4 -0.967 5.5-161.8-110.0 133.2 33.1 14.0 20.0 44 73 A T E -Eg 37 359B 9 -7,-3.0 -7,-1.9 -2,-0.4 2,-0.4 -0.953 2.3-161.0-115.5 131.8 32.6 13.7 23.8 45 74 A V E -Eg 36 360B 3 314,-3.0 316,-2.7 -2,-0.4 2,-0.4 -0.895 5.6-158.0-108.5 137.2 33.1 16.6 26.3 46 75 A I E -Eg 35 361B 3 -11,-3.0 -11,-1.5 -2,-0.4 2,-0.5 -0.964 4.3-160.8-117.4 134.9 33.6 15.9 30.0 47 76 A V E +Eg 34 362B 0 314,-2.7 316,-2.8 -2,-0.4 -13,-0.2 -0.959 16.9 169.9-123.4 117.4 32.8 18.6 32.6 48 77 A G + 0 0 2 -15,-2.9 2,-0.4 -2,-0.5 -14,-0.1 0.096 51.8 79.9-116.5 22.9 34.3 18.4 36.1 49 78 A H S > S- 0 0 54 -16,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.995 71.0-131.8-135.1 137.8 33.5 21.8 37.8 50 79 A H H > S+ 0 0 24 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.847 107.0 51.4 -54.8 -39.4 30.2 23.0 39.3 51 80 A Q H > S+ 0 0 138 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.935 113.7 42.8 -66.2 -47.1 30.2 26.3 37.5 52 81 A L H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.862 116.0 51.2 -63.3 -37.3 30.7 24.7 34.1 53 82 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.833 106.6 51.6 -68.8 -36.2 28.1 22.0 35.1 54 83 A K H X>S+ 0 0 70 -4,-2.4 4,-2.6 -5,-0.2 5,-1.7 0.807 107.6 55.4 -71.5 -27.9 25.5 24.6 36.1 55 84 A E H <>S+ 0 0 26 -4,-1.4 5,-3.1 3,-0.2 -2,-0.2 0.941 111.4 42.6 -62.5 -53.8 26.0 26.2 32.7 56 85 A V H <5S+ 0 0 1 -4,-1.8 8,-0.4 3,-0.2 -2,-0.2 0.892 124.6 35.8 -55.7 -46.1 25.3 22.9 30.9 57 86 A L H <5S+ 0 0 4 -4,-2.3 351,-0.2 -5,-0.1 -2,-0.2 0.845 134.2 7.2 -87.8 -34.3 22.3 22.0 33.2 58 87 A I T ><5S+ 0 0 98 -4,-2.6 3,-0.8 -5,-0.2 4,-0.3 0.807 125.1 44.6-114.4 -56.9 20.6 25.3 34.0 59 88 A K T 3 4 S+ 0 0 172 -4,-0.3 3,-1.2 1,-0.2 -1,-0.3 0.874 103.9 60.1 -69.7 -35.0 17.8 23.6 26.8 63 92 A D T 34 S+ 0 0 53 -3,-0.3 281,-3.3 1,-0.2 282,-0.6 0.829 116.4 34.0 -58.0 -27.2 20.9 23.7 24.5 64 93 A F T 3< S+ 0 0 0 -4,-1.0 278,-0.8 -8,-0.4 -1,-0.2 0.170 80.6 109.6-118.4 18.8 22.1 20.5 26.2 65 94 A S B < +h 342 0B 9 -3,-1.2 -1,-0.2 276,-0.2 278,-0.1 0.479 56.1 110.3 -78.9 -0.8 18.8 18.7 26.9 66 95 A G B -I 342 0B 0 276,-1.5 276,-0.6 -3,-0.2 21,-0.1 -0.202 55.7-148.5 -68.2 159.1 19.7 16.1 24.2 67 96 A R - 0 0 15 274,-0.2 274,-0.1 18,-0.1 275,-0.1 -0.998 21.2-121.5-123.7 136.9 20.6 12.4 24.7 68 97 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 290,-0.0 -0.365 28.1-103.5 -72.0 158.3 22.9 10.5 22.3 69 98 A Q + 0 0 128 4,-0.1 2,-0.3 -2,-0.0 3,-0.0 -0.616 41.7 172.2 -74.8 133.8 22.0 7.4 20.4 70 99 A M > - 0 0 39 -2,-0.3 4,-2.9 1,-0.1 5,-0.1 -0.978 36.4-134.2-143.5 140.2 23.4 4.1 21.7 71 100 A A H > S+ 0 0 33 -2,-0.3 4,-1.0 1,-0.2 8,-0.1 0.762 108.8 49.8 -66.0 -28.9 22.5 0.6 20.4 72 101 A T H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.907 110.8 46.6 -71.9 -48.8 22.0 -0.6 24.0 73 102 A L H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.928 106.2 63.0 -61.7 -43.6 19.8 2.3 25.1 74 103 A D H <>S+ 0 0 21 -4,-2.9 5,-3.5 1,-0.2 -1,-0.2 0.887 105.4 44.4 -40.8 -52.1 17.8 1.8 21.9 75 104 A I H ><5S+ 0 0 25 -4,-1.0 3,-1.2 3,-0.2 -1,-0.2 0.909 113.6 47.3 -70.8 -43.2 16.8 -1.7 22.9 76 105 A A H 3<5S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.772 118.6 43.3 -68.4 -24.6 15.9 -0.8 26.5 77 106 A S T 3X5S- 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.130 112.3-116.0-103.9 19.1 13.9 2.2 25.4 78 107 A N T <45S- 0 0 19 -3,-1.2 -3,-0.2 2,-0.2 -4,-0.1 0.945 88.9 -33.8 38.7 61.1 12.2 0.4 22.4 79 108 A N T 4 S- 0 0 30 1,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.906 94.1 -9.8 138.0-162.7 11.6 17.0 21.7 90 119 A A H > S+ 0 0 60 -2,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.926 127.2 38.7 -44.8 -64.4 8.0 16.2 21.1 91 120 A H H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.889 117.1 49.3 -65.1 -41.0 7.8 12.8 22.8 92 121 A W H > S+ 0 0 22 -5,-0.4 4,-2.7 1,-0.2 5,-0.3 0.925 106.2 53.7 -64.0 -49.7 10.1 13.6 25.8 93 122 A Q H X S+ 0 0 121 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 112.1 44.3 -57.4 -46.4 8.5 16.9 26.9 94 123 A L H X S+ 0 0 14 -4,-1.4 4,-3.7 -5,-0.2 -1,-0.2 0.952 115.9 43.2 -62.1 -57.0 5.0 15.4 27.1 95 124 A H H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.868 114.6 51.0 -64.4 -36.9 5.8 12.1 28.9 96 125 A R H X S+ 0 0 28 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.985 113.9 45.1 -59.7 -55.7 8.2 13.9 31.3 97 126 A R H X S+ 0 0 149 -4,-2.4 4,-2.4 -5,-0.3 3,-0.3 0.926 112.2 51.5 -53.0 -51.1 5.4 16.4 32.1 98 127 A L H X S+ 0 0 17 -4,-3.7 4,-1.3 1,-0.2 -1,-0.2 0.901 111.5 46.4 -55.6 -44.3 2.7 13.7 32.5 99 128 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.812 112.9 50.3 -67.6 -29.8 4.9 11.7 34.9 100 129 A M H < S+ 0 0 95 -4,-1.9 3,-0.3 -3,-0.3 -2,-0.2 0.856 109.2 51.8 -72.0 -38.3 5.7 14.9 36.9 101 130 A A H >< S+ 0 0 58 -4,-2.4 3,-1.0 1,-0.2 4,-0.2 0.704 101.3 61.5 -73.0 -27.9 2.0 15.8 37.0 102 131 A T H >< S+ 0 0 0 -4,-1.3 3,-1.9 -5,-0.2 4,-0.3 0.833 87.6 71.4 -65.0 -32.6 1.2 12.4 38.4 103 132 A F T 3< S+ 0 0 41 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.570 93.0 61.2 -63.0 -2.3 3.4 13.1 41.4 104 133 A A T X S+ 0 0 56 -3,-1.0 3,-1.5 1,-0.2 4,-0.3 0.589 80.1 75.4 -99.5 -18.4 0.6 15.5 42.4 105 134 A L T < S+ 0 0 54 -3,-1.9 6,-0.2 1,-0.3 -1,-0.2 0.529 102.1 50.0 -65.6 -3.6 -2.2 12.8 42.7 106 135 A F T 3 S+ 0 0 11 -4,-0.3 7,-1.2 -3,-0.2 -1,-0.3 -0.028 71.3 109.0-126.4 27.0 -0.2 12.2 45.9 107 136 A K S < S- 0 0 172 -3,-1.5 -2,-0.1 1,-0.2 2,-0.1 0.890 103.4 -32.2 -67.5 -45.7 0.1 15.7 47.5 108 137 A D S S+ 0 0 132 -4,-0.3 2,-0.2 3,-0.1 -1,-0.2 -0.409 94.9 99.2-177.8 109.3 -2.5 14.7 50.3 109 138 A G S > S- 0 0 47 -3,-0.1 3,-0.8 -2,-0.1 -3,-0.0 -0.694 88.0 -51.0-155.3-154.9 -5.5 12.3 50.1 110 139 A D T 3 S+ 0 0 163 1,-0.3 2,-0.3 -2,-0.2 -4,-0.1 0.838 140.4 43.6 -61.3 -38.0 -6.6 8.6 50.9 111 140 A Q T 3 S+ 0 0 37 -6,-0.2 -1,-0.3 4,-0.1 2,-0.3 -0.564 81.0 169.9-105.5 57.2 -3.4 7.7 49.0 112 141 A K X> - 0 0 84 -3,-0.8 3,-2.2 -2,-0.3 4,-1.7 -0.577 44.3-120.8 -66.0 132.8 -0.9 10.3 50.5 113 142 A L H 3> S+ 0 0 8 -7,-1.2 4,-2.5 1,-0.3 5,-0.2 0.886 113.3 56.3 -45.8 -50.1 2.6 9.3 49.3 114 143 A E H 3> S+ 0 0 29 -8,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.717 107.9 49.6 -54.0 -27.1 3.7 8.9 52.9 115 144 A K H <> S+ 0 0 140 -3,-2.2 4,-2.6 2,-0.2 5,-0.2 0.953 109.6 47.7 -78.7 -54.3 0.9 6.4 53.6 116 145 A I H X S+ 0 0 17 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.910 115.6 47.8 -47.5 -48.4 1.5 4.1 50.6 117 146 A I H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 3,-0.4 0.956 111.8 48.7 -59.6 -52.5 5.2 4.1 51.5 118 147 A C H X S+ 0 0 20 -4,-1.5 4,-2.6 1,-0.3 -2,-0.2 0.815 105.9 55.0 -62.5 -39.2 4.6 3.4 55.2 119 148 A Q H X S+ 0 0 118 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.878 112.3 44.9 -62.3 -36.5 2.2 0.5 54.6 120 149 A E H X S+ 0 0 9 -4,-1.4 4,-1.7 -3,-0.4 -2,-0.2 0.810 112.9 50.7 -78.0 -28.8 4.9 -1.2 52.4 121 150 A I H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.873 104.5 57.6 -72.2 -37.9 7.6 -0.4 55.0 122 151 A S H X S+ 0 0 39 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 109.0 46.7 -55.4 -49.3 5.5 -1.9 57.7 123 152 A T H X S+ 0 0 38 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.886 109.1 53.3 -55.6 -47.1 5.4 -5.2 55.7 124 153 A L H X S+ 0 0 6 -4,-1.7 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0.896 108.5 47.8 -56.0 -38.2 11.3 -8.8 25.5 209 238 A I H X S+ 0 0 30 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.918 111.7 46.7 -75.2 -42.4 10.4 -10.3 28.9 210 239 A R H X S+ 0 0 25 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.931 115.0 48.6 -56.8 -51.3 9.9 -6.9 30.6 211 240 A N H X S+ 0 0 29 -4,-3.4 4,-2.0 2,-0.2 -2,-0.2 0.907 110.1 50.8 -55.2 -48.7 7.9 -5.7 27.5 212 241 A D H X S+ 0 0 92 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.901 112.7 48.1 -53.8 -43.6 5.7 -8.9 27.6 213 242 A L H X S+ 0 0 19 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.900 114.1 42.8 -72.8 -43.3 5.1 -8.3 31.3 214 243 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.730 109.8 59.4 -74.3 -20.3 4.1 -4.7 31.0 215 244 A N H X S+ 0 0 67 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.830 103.3 51.6 -73.0 -32.0 2.0 -5.5 27.9 216 245 A K H X S+ 0 0 131 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.957 110.7 46.9 -65.1 -52.2 -0.1 -7.9 29.9 217 246 A I H X S+ 0 0 30 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.836 113.4 51.8 -60.2 -34.5 -0.8 -5.3 32.6 218 247 A L H >X S+ 0 0 14 -4,-1.4 4,-1.1 2,-0.2 3,-0.7 0.968 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110.4 48.5 -66.4 -46.5 20.8 0.7 45.7 278 310 A V H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.909 110.9 50.2 -65.0 -40.3 20.9 3.7 48.0 279 311 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.957 111.8 48.3 -58.5 -48.6 19.4 1.8 50.8 280 312 A K H X S+ 0 0 30 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.964 112.6 49.1 -54.8 -53.7 22.0 -0.9 50.3 281 313 A W H X S+ 0 0 3 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.854 108.4 54.1 -47.9 -47.5 24.7 1.8 50.2 282 314 A T H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.919 109.7 45.4 -55.6 -49.2 23.4 3.4 53.5 283 315 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.929 111.0 55.3 -61.2 -44.0 23.5 0.1 55.5 284 316 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.928 108.8 46.3 -54.1 -50.9 26.9 -0.6 54.2 285 317 A F H X S+ 0 0 5 -4,-2.3 4,-1.0 1,-0.2 3,-0.4 0.894 111.1 51.9 -62.0 -38.8 28.2 2.8 55.4 286 318 A L H < S+ 0 0 5 -4,-2.3 7,-0.3 1,-0.2 3,-0.2 0.871 106.1 55.2 -67.5 -33.7 26.6 2.3 58.8 287 319 A L H < S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.784 111.3 43.6 -64.6 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616 173 B V H X S+ 0 0 22 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.944 108.6 52.7 -50.8 -54.6 10.4 -25.3 49.2 617 174 B A H X S+ 0 0 6 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.831 115.3 40.7 -61.3 -31.7 8.6 -28.2 47.4 618 175 B V H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.731 108.6 58.6 -86.2 -26.7 10.4 -30.9 49.6 619 176 B T H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.890 105.8 52.7 -63.6 -38.0 10.0 -28.9 52.9 620 177 B N H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.935 109.8 47.5 -63.3 -46.2 6.3 -29.0 52.2 621 178 B V H X S+ 0 0 2 -4,-1.1 4,-2.7 1,-0.2 5,-0.2 0.939 114.7 43.9 -60.0 -50.7 6.4 -32.8 51.8 622 179 B I H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.808 114.1 52.0 -65.6 -29.9 8.4 -33.4 54.9 623 180 B S H X>S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 6,-0.8 0.923 109.1 49.5 -74.8 -43.2 6.3 -30.9 56.8 624 181 B L H X5S+ 0 0 32 -4,-3.0 4,-1.2 4,-0.2 -2,-0.2 0.919 113.3 46.6 -56.1 -46.1 3.1 -32.7 55.7 625 182 B I H <5S+ 0 0 0 -4,-2.7 80,-2.1 -5,-0.2 -1,-0.2 0.859 117.5 46.5 -64.3 -30.3 4.6 -36.1 56.8 626 183 B C H <5S- 0 0 0 -4,-1.5 80,-2.4 78,-0.2 81,-0.2 0.912 139.0 -10.3 -83.0 -43.5 5.6 -34.4 60.0 627 184 B F H <5S- 0 0 8 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.1 0.343 88.2-107.2-138.8 -3.1 2.6 -32.5 61.3 628 185 B N S < - 0 0 176 -2,-0.3 3,-1.5 1,-0.2 -1,-0.0 -0.430 51.1 -60.3 -80.3 169.7 1.7 -21.5 51.6 633 190 B N T 3 S+ 0 0 73 1,-0.2 -1,-0.2 -2,-0.1 -470,-0.1 -0.251 119.4 3.1 -51.0 122.5 3.5 -19.5 49.0 634 191 B G T 3 S+ 0 0 22 1,-0.3 -1,-0.2 -472,-0.2 -472,-0.1 0.653 73.5 160.0 74.5 17.6 6.0 -17.0 50.4 635 192 B D X - 0 0 61 -3,-1.5 3,-1.7 1,-0.1 4,-0.4 -0.633 40.6-138.2 -59.5 119.5 5.6 -17.7 54.1 636 193 B P T 3> S+ 0 0 26 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.549 93.3 81.2 -67.4 -4.6 8.9 -16.1 55.4 637 194 B E H 3> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.821 85.4 61.2 -71.7 -27.8 9.5 -19.0 57.7 638 195 B L H <> S+ 0 0 3 -3,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.909 103.3 49.1 -55.0 -48.2 10.9 -20.9 54.7 639 196 B N H > S+ 0 0 70 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.863 109.1 54.1 -61.1 -38.7 13.6 -18.2 54.4 640 197 B V H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.925 111.9 42.1 -61.5 -45.2 14.3 -18.6 58.1 641 198 B I H X S+ 0 0 1 -4,-2.2 4,-3.6 2,-0.2 5,-0.2 0.908 112.3 54.2 -72.9 -42.5 14.9 -22.4 57.8 642 199 B Q H X S+ 0 0 54 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.935 109.5 49.3 -55.9 -45.9 16.8 -22.1 54.6 643 200 B N H X S+ 0 0 27 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.947 114.3 42.7 -59.9 -51.0 19.0 -19.7 56.4 644 201 B Y H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.832 111.8 55.8 -71.7 -27.9 19.6 -22.0 59.5 645 202 B N H X S+ 0 0 15 -4,-3.6 4,-2.7 2,-0.2 5,-0.3 0.984 108.5 45.6 -59.9 -57.2 20.0 -25.0 57.3 646 203 B E H X S+ 0 0 89 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.890 116.5 49.3 -47.3 -43.6 22.9 -23.3 55.3 647 204 B G H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 111.7 44.5 -63.9 -52.4 24.3 -22.2 58.7 648 205 B I H X S+ 0 0 21 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.908 115.7 48.7 -60.2 -47.1 24.2 -25.6 60.5 649 206 B I H X S+ 0 0 18 -4,-2.7 4,-0.8 -5,-0.3 269,-0.3 0.932 112.2 49.6 -60.2 -45.5 25.6 -27.4 57.4 650 207 B D H < S+ 0 0 62 -4,-2.6 -2,-0.2 -5,-0.3 3,-0.2 0.897 120.3 34.7 -60.4 -45.5 28.4 -24.8 57.1 651 208 B N H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.672 98.2 80.7 -85.1 -16.9 29.4 -25.0 60.7 652 209 B L H < S- 0 0 8 -4,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.851 115.1 -12.0 -65.9 -38.8 28.8 -28.7 61.3 653 210 B S < - 0 0 7 -4,-0.8 -1,-0.2 -3,-0.2 265,-0.2 -0.959 59.1-129.9-153.0 152.5 32.1 -29.7 59.7 654 211 B K S S- 0 0 50 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.984 96.8 -22.1 -63.8 -58.5 34.6 -27.8 57.6 655 212 B D S S- 0 0 31 1,-0.6 4,-0.1 -3,-0.1 -164,-0.1 0.030 127.0 -2.4-111.1-121.4 34.6 -30.5 54.9 656 213 B S S S- 0 0 14 2,-0.2 -1,-0.6 1,-0.1 -2,-0.2 -0.038 71.0-110.5 -58.9 160.3 33.5 -34.0 55.7 657 214 B L S S+ 0 0 10 260,-0.4 2,-1.0 -4,-0.1 -1,-0.1 0.739 103.2 87.7 -61.2 -26.5 32.5 -35.2 59.2 658 215 B V + 0 0 7 -5,-0.0 2,-0.5 2,-0.0 -2,-0.2 -0.708 59.9 175.4 -80.8 102.0 35.7 -37.2 59.1 659 216 B D - 0 0 55 -2,-1.0 -2,-0.0 1,-0.2 0, 0.0 -0.953 20.0-167.0-107.3 120.7 38.4 -34.9 60.4 660 217 B L S S+ 0 0 11 -2,-0.5 -1,-0.2 1,-0.2 -151,-0.0 0.992 83.9 38.8 -65.1 -56.9 41.9 -36.4 60.8 661 218 B V S S- 0 0 10 1,-0.0 2,-1.7 -150,-0.0 3,-0.2 -0.805 84.8-132.9 -96.8 129.5 43.2 -33.4 62.9 662 219 B P >> + 0 0 42 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.451 37.6 166.0 -81.1 65.4 40.7 -31.9 65.5 663 220 B W H >> + 0 0 14 -2,-1.7 4,-1.5 1,-0.3 3,-0.8 0.781 62.3 69.8 -50.1 -38.2 41.3 -28.2 64.6 664 221 B L H 34 S+ 0 0 54 1,-0.3 -1,-0.3 -3,-0.2 5,-0.2 0.632 105.0 45.0 -66.6 -7.1 38.3 -26.7 66.4 665 222 B K H <4 S+ 0 0 78 -3,-1.8 -1,-0.3 3,-0.1 -2,-0.2 0.644 109.3 52.2-104.3 -22.7 40.1 -27.6 69.7 666 223 B I H << S+ 0 0 32 -3,-0.8 -2,-0.2 -4,-0.6 289,-0.1 0.702 110.3 40.9 -85.3 -30.0 43.7 -26.4 68.9 667 224 B F S < S- 0 0 5 -4,-1.5 -1,-0.1 291,-0.1 455,-0.1 -0.970 92.0-101.7-125.5 139.3 43.0 -22.8 67.7 668 225 B P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.380 58.0 152.6 -52.1 131.8 40.6 -20.2 69.1 669 226 B N - 0 0 39 -5,-0.2 3,-0.3 -2,-0.0 4,-0.2 -0.975 50.7-132.2-162.1 159.8 37.5 -20.1 66.8 670 227 B K > + 0 0 121 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.113 69.4 114.4-101.2 17.2 33.8 -19.3 66.9 671 228 B T H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 79.0 43.6 -60.6 -49.3 32.6 -22.4 65.2 672 229 B L H > S+ 0 0 48 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.926 114.2 53.2 -59.6 -42.5 30.7 -23.9 68.1 673 230 B E H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.876 110.2 45.4 -60.0 -43.8 29.2 -20.5 68.9 674 231 B K H X S+ 0 0 18 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.926 112.7 52.4 -66.9 -40.5 27.9 -20.0 65.4 675 232 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.917 109.0 48.7 -61.6 -47.8 26.5 -23.6 65.4 676 233 B K H X S+ 0 0 124 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.838 109.1 55.0 -57.8 -37.3 24.6 -23.0 68.7 677 234 B S H X S+ 0 0 41 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.881 111.2 42.9 -67.0 -38.4 23.2 -19.8 67.4 678 235 B H H X S+ 0 0 39 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.884 115.8 48.0 -69.9 -42.0 21.8 -21.5 64.3 679 236 B V H X S+ 0 0 5 -4,-2.5 4,-4.0 2,-0.2 5,-0.3 0.930 102.1 63.3 -70.8 -44.7 20.5 -24.5 66.3 680 237 B K H X S+ 0 0 132 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.919 108.5 44.0 -30.8 -59.3 18.9 -22.1 68.9 681 238 B I H X S+ 0 0 35 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.935 114.1 47.5 -64.0 -47.1 16.7 -20.9 66.0 682 239 B R H X S+ 0 0 22 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.960 116.9 44.9 -52.6 -53.3 16.0 -24.4 64.6 683 240 B N H >X S+ 0 0 23 -4,-4.0 4,-3.2 1,-0.2 3,-0.5 0.915 112.4 49.6 -59.2 -49.7 15.2 -25.6 68.1 684 241 B D H 3X S+ 0 0 92 -4,-3.1 4,-1.6 -5,-0.3 -1,-0.2 0.845 109.7 53.0 -59.1 -34.5 13.1 -22.7 69.1 685 242 B L H 3X S+ 0 0 16 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.791 114.7 40.7 -74.3 -26.0 11.1 -23.0 65.8 686 243 B L H - 0 0 159 3,-0.4 3,-1.3 -2,-0.1 13,-0.1 -0.987 39.1-125.8-151.5 146.9 -5.9 -36.7 70.1 699 256 B S T 3 S+ 0 0 63 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.588 101.6 59.6 -72.3 -16.2 -5.5 -40.5 70.2 700 257 B D T 3 S+ 0 0 127 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.526 98.1 62.8 -91.3 -8.3 -8.0 -41.5 67.5 701 258 B S < + 0 0 56 -3,-1.3 2,-0.6 6,-0.0 -3,-0.4 -0.847 57.6 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49.0 -63.2 -13.1 1.0 -41.8 70.9 712 269 B A H <> S+ 0 0 19 -3,-0.6 4,-1.2 -5,-0.2 -2,-0.2 0.811 106.3 51.2 -99.4 -39.5 4.1 -43.3 72.4 713 270 B K H >< S+ 0 0 81 -4,-1.2 3,-0.8 2,-0.2 -2,-0.2 0.977 112.1 48.4 -55.8 -62.8 4.6 -40.9 75.3 714 271 B M H 3< S+ 0 0 103 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.879 110.7 51.0 -43.3 -57.7 0.9 -41.3 76.5 715 272 B N H 3< S+ 0 0 117 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.756 109.2 53.5 -57.1 -33.0 1.1 -45.2 76.3 716 273 B S << 0 0 37 -4,-1.2 4,-0.1 -3,-0.8 -3,-0.1 0.110 360.0 360.0 -83.2-152.5 4.2 -45.5 78.3 717 274 B D 0 0 139 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.738 360.0 360.0 55.3 360.0 4.8 -44.0 81.8 718 ! 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 0.0 719 283 B D 0 0 115 0, 0.0 -3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.1 10.1 -45.6 77.6 720 284 B S > + 0 0 56 -4,-0.1 3,-2.0 2,-0.1 -4,-0.0 0.711 360.0 48.0-113.0 -51.3 9.2 -42.3 79.4 721 285 B E G > S+ 0 0 174 1,-0.3 3,-0.6 2,-0.1 0, 0.0 0.722 110.2 62.7 -52.8 -22.9 12.7 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-61.3 -57.0 57.7 -44.2 12.9 1528 145 D I H X S+ 0 0 21 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.863 114.3 47.5 -50.1 -43.4 55.8 -42.8 15.9 1529 146 D I H >X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 3,-0.8 0.958 111.9 47.5 -60.4 -57.0 53.8 -40.6 13.6 1530 147 D C H 3X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.800 105.2 60.2 -57.9 -37.9 52.9 -43.3 11.0 1531 148 D Q H 3X S+ 0 0 122 -4,-2.8 4,-1.4 1,-0.2 -1,-0.3 0.859 110.1 42.6 -59.1 -36.0 51.8 -45.7 13.8 1532 149 D E H < S+ 0 0 6 -4,-1.9 3,-1.1 -3,-0.3 -2,-0.2 0.757 103.8 68.9 -73.9 -27.6 38.1 -43.6 9.2 1541 158 D A G >< S+ 0 0 26 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.859 95.3 54.5 -53.9 -39.7 37.9 -47.0 7.5 1542 159 D T G 3 S+ 0 0 97 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.674 98.8 61.8 -71.9 -17.4 34.9 -47.6 9.8 1543 160 D H G X S+ 0 0 60 -3,-1.1 3,-0.9 -4,-0.3 326,-0.3 0.090 77.5 160.2 -97.6 21.6 33.3 -44.4 8.5 1544 161 D N T < - 0 0 73 -3,-1.2 2,-0.3 1,-0.2 326,-0.2 -0.188 66.4 -1.9 -36.9 115.9 33.2 -45.9 5.1 1545 162 D G T 3 S+ 0 0 44 324,-1.5 -1,-0.2 1,-0.2 325,-0.2 -0.085 106.3 100.6 93.4 -35.6 30.6 -44.1 3.0 1546 163 D Q S < S- 0 0 108 -3,-0.9 323,-1.0 -2,-0.3 2,-0.5 -0.240 70.5-115.4 -86.4 173.4 29.1 -41.5 5.5 1547 164 D S E +S 1868 0P 26 321,-0.2 321,-0.2 -3,-0.1 2,-0.2 -0.848 46.2 156.3-121.0 97.2 29.8 -37.7 5.9 1548 165 D I E -S 1867 0P 32 319,-1.1 319,-1.9 -2,-0.5 2,-0.4 -0.495 47.6 -93.5-116.1 170.8 31.4 -36.7 9.2 1549 166 D D - 0 0 57 317,-0.2 317,-0.2 -2,-0.2 3,-0.1 -0.743 28.4-157.3 -79.7 134.2 33.6 -34.0 11.0 1550 167 D I > + 0 0 6 315,-0.4 4,-2.4 -2,-0.4 5,-0.3 0.648 68.5 96.3 -85.7 -21.1 37.2 -35.0 10.9 1551 168 D S H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.840 84.5 45.7 -33.3 -61.6 38.3 -32.9 14.0 1552 169 D F H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 113.4 44.9 -59.9 -52.4 38.1 -35.7 16.5 1553 170 D P H > S+ 0 0 14 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.918 117.8 46.0 -62.5 -37.1 39.8 -38.5 14.6 1554 171 D V H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.841 111.4 53.4 -69.1 -32.5 42.6 -36.1 13.6 1555 172 D F H X S+ 0 0 7 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.864 106.3 51.8 -69.3 -39.3 42.8 -34.8 17.1 1556 173 D V H X S+ 0 0 8 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.981 111.6 46.6 -61.3 -57.0 43.3 -38.2 18.6 1557 174 D A H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.924 116.1 43.8 -54.8 -51.3 46.2 -39.1 16.3 1558 175 D V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.910 113.9 52.0 -60.6 -36.2 47.9 -35.8 16.8 1559 176 D T H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.906 108.8 50.5 -66.8 -41.9 47.3 -36.1 20.6 1560 177 D N H X S+ 0 0 3 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.901 108.8 51.7 -61.9 -42.1 48.8 -39.6 20.7 1561 178 D V H X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.973 114.2 43.2 -54.1 -54.1 51.9 -38.3 18.8 1562 179 D I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.856 112.1 52.4 -65.0 -37.5 52.3 -35.5 21.4 1563 180 D S H X>S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-1.1 0.900 106.8 54.3 -66.7 -36.4 51.6 -37.7 24.4 1564 181 D L H X5S+ 0 0 23 -4,-2.2 4,-0.7 4,-0.2 -2,-0.2 0.906 110.6 46.7 -60.4 -39.4 54.2 -40.2 23.1 1565 182 D I H 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1579 196 D N H <> S+ 0 0 81 -3,-1.1 4,-2.0 -4,-0.4 -2,-0.2 0.802 108.2 58.0 -71.8 -25.0 37.1 -36.1 25.3 1580 197 D V H X S+ 0 0 48 -4,-1.4 4,-1.9 2,-0.2 5,-0.2 0.903 107.4 47.4 -70.0 -35.7 38.2 -34.4 28.4 1581 198 D I H X S+ 0 0 0 -4,-1.4 4,-3.1 1,-0.2 5,-0.2 0.967 111.2 48.3 -72.2 -47.9 41.1 -32.9 26.5 1582 199 D Q H X S+ 0 0 65 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.910 111.5 51.0 -59.9 -39.8 39.2 -31.8 23.5 1583 200 D N H X S+ 0 0 71 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.909 115.9 39.4 -65.1 -46.9 36.5 -30.1 25.7 1584 201 D Y H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.816 112.7 56.9 -74.0 -31.2 39.0 -28.1 27.7 1585 202 D N H X S+ 0 0 13 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.959 112.7 42.0 -53.9 -50.7 41.2 -27.4 24.6 1586 203 D E H X S+ 0 0 122 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.877 112.9 53.1 -68.7 -40.7 38.1 -25.9 23.0 1587 204 D G H X S+ 0 0 5 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.835 110.1 47.1 -62.7 -37.3 37.0 -24.0 26.2 1588 205 D I H X S+ 0 0 22 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.895 114.3 46.0 -70.2 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38.9-147.0-154.8 128.5 46.8 -8.0 21.6 1599 216 D D T 3 S+ 0 0 27 -2,-0.3 -116,-0.1 1,-0.3 -1,-0.0 0.641 95.5 77.5 -75.3 -16.9 47.5 -6.3 24.9 1600 217 D L T 3 S+ 0 0 18 1,-0.1 -1,-0.3 2,-0.1 -146,-0.0 0.840 89.8 66.4 -49.4 -34.6 45.7 -3.3 23.6 1601 218 D V S < S- 0 0 13 -3,-1.2 2,-2.0 1,-0.0 -3,-0.2 -0.823 78.7-144.8-103.7 113.9 42.5 -5.2 24.3 1602 219 D P >> - 0 0 34 0, 0.0 3,-1.6 0, 0.0 4,-1.0 -0.523 24.6-173.9 -73.8 81.3 41.5 -6.0 27.9 1603 220 D W T 34 S+ 0 0 12 -2,-2.0 4,-0.3 1,-0.3 3,-0.2 0.707 71.9 51.3 -48.5 -39.3 40.0 -9.4 27.0 1604 221 D L T 34 S+ 0 0 27 1,-0.2 8,-0.5 -3,-0.1 7,-0.3 0.673 118.0 35.7 -77.1 -16.1 38.6 -10.4 30.4 1605 222 D K T <4 S+ 0 0 101 -3,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.397 85.6 92.7-122.7 -7.0 36.6 -7.2 31.0 1606 223 D I S < S+ 0 0 4 -4,-1.0 -1424,-0.1 -3,-0.2 -1415,-0.1 0.858 89.6 41.9 -61.6 -35.3 35.4 -6.0 27.6 1607 224 D F S S- 0 0 7 -4,-0.3 2,-2.6 -1425,-0.1 4,-0.3 -0.906 78.4-122.8-121.8 145.7 32.0 -7.8 27.9 1608 225 D P S S+ 0 0 19 0, 0.0 2,-0.2 0, 0.0 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1844 468 D P - 0 0 6 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 -0.742 38.1-100.5 -87.5 148.8 28.9 -34.4 1.4 1845 469 D D S S+ 0 0 145 -2,-0.3 2,-1.9 1,-0.2 -2,-0.1 0.689 122.6 61.4 -38.4 -46.5 25.5 -35.3 -0.5 1846 470 D D S S- 0 0 119 1,-0.1 2,-2.3 2,-0.1 -1,-0.2 -0.673 106.6-135.6 -74.6 80.9 23.7 -32.2 0.8 1847 471 D G + 0 0 56 -2,-1.9 2,-0.4 -4,-0.1 -2,-0.1 -0.108 40.4 165.7 -56.1 69.4 26.5 -30.4 -1.1 1848 472 D Q - 0 0 147 -2,-2.3 18,-0.1 -4,-0.4 -2,-0.1 -0.746 32.3-131.3 -98.1 132.8 27.4 -27.7 1.4 1849 473 D L - 0 0 109 -2,-0.4 2,-0.2 -6,-0.1 3,-0.1 -0.698 21.6-120.2 -85.1 115.2 30.6 -25.7 1.1 1850 474 D P - 0 0 7 0, 0.0 15,-0.1 0, 0.0 -1,-0.1 -0.397 37.8-112.9 -47.5 114.0 32.9 -25.4 4.2 1851 475 D S - 0 0 59 13,-0.2 12,-0.2 -2,-0.2 3,-0.1 -0.206 23.9-162.4 -55.0 141.4 33.2 -21.6 5.0 1852 476 D L + 0 0 37 1,-0.1 -1,-0.1 10,-0.1 -159,-0.0 0.533 66.0 95.9-104.2 -8.0 36.6 -20.2 4.5 1853 477 D E S S- 0 0 140 1,-0.1 -1,-0.1 9,-0.0 9,-0.0 0.823 74.6-155.3 -56.8 -40.0 36.2 -16.9 6.5 1854 478 D G - 0 0 4 1,-0.1 8,-0.2 -3,-0.1 -1,-0.1 0.045 17.2-102.5 85.8 165.8 37.8 -18.4 9.7 1855 479 D I E -W 1861 0S 63 6,-3.2 6,-2.5 8,-0.0 2,-0.6 -0.892 32.8-141.4-132.1 96.6 37.5 -17.7 13.4 1856 480 D P E +W 1860 0S 10 0, 0.0 4,-0.2 0, 0.0 2,-0.2 -0.472 44.1 133.3 -67.3 107.0 40.6 -15.8 14.7 1857 481 D K S S- 0 0 16 2,-2.5 -260,-0.2 -2,-0.6 -263,-0.1 -0.488 82.5 -54.8-124.4-155.8 41.6 -17.0 18.2 1858 482 D V S S+ 0 0 39 -269,-0.4 2,-0.3 -2,-0.2 -262,-0.1 0.809 142.4 33.0 -50.7 -29.0 45.0 -17.9 19.7 1859 483 D V S S- 0 0 13 -4,-0.1 -2,-2.5 -270,-0.1 2,-1.1 -0.926 101.0-113.1-122.3 151.1 44.9 -20.1 16.7 1860 484 D F E -W 1856 0S 2 -118,-1.5 2,-0.2 -2,-0.3 -117,-0.1 -0.733 47.4-158.9 -87.3 97.9 43.2 -19.2 13.4 1861 485 D L E -W 1855 0S 34 -6,-2.5 -6,-3.2 -2,-1.1 2,-0.4 -0.464 14.7-138.2 -87.8 149.5 40.3 -21.6 13.4 1862 486 D I - 0 0 8 -8,-0.2 3,-0.1 -2,-0.2 -10,-0.1 -0.880 30.7-108.7 -95.8 134.8 38.1 -23.0 10.7 1863 487 D D - 0 0 68 -2,-0.4 -1,-0.0 -12,-0.2 -8,-0.0 -0.262 48.4 -98.8 -39.3 141.1 34.3 -23.4 11.3 1864 488 D S + 0 0 84 -315,-0.0 2,-0.3 -14,-0.0 -13,-0.2 -0.307 51.8 166.9 -72.2 159.5 33.5 -27.1 11.5 1865 489 D F - 0 0 19 -15,-0.1 -315,-0.4 -3,-0.1 2,-0.2 -0.962 29.1-109.9-165.9 162.1 32.2 -28.9 8.4 1866 490 D K - 0 0 115 -2,-0.3 2,-0.3 -317,-0.2 -317,-0.2 -0.631 21.2-160.4-103.0 159.9 31.6 -32.4 7.2 1867 491 D V E -S 1548 0P 1 -319,-1.9 -319,-1.1 -2,-0.2 -24,-0.2 -0.980 20.5-124.8-140.9 134.2 33.3 -34.6 4.4 1868 492 D K E -ST15471842P 34 -26,-1.7 -26,-0.8 -2,-0.3 2,-0.3 -0.503 33.0-170.3 -69.8 141.6 32.2 -37.7 2.4 1869 493 D I + 0 0 2 -323,-1.0 -324,-1.5 -326,-0.3 2,-0.2 -0.799 15.5 160.5-150.0 92.3 34.9 -40.4 2.8 1870 494 D K - 0 0 81 -30,-0.4 -30,-2.2 -2,-0.3 2,-0.2 -0.674 45.8-103.6 -99.9 162.6 35.1 -43.7 0.9 1871 495 D V B -V 1839 0R 17 -2,-0.2 -32,-0.2 -32,-0.2 2,-0.1 -0.535 57.3 -90.4 -73.1 156.9 38.1 -46.0 0.4 1872 496 D R > - 0 0 14 -34,-1.0 4,-1.8 -2,-0.2 5,-0.2 -0.426 13.2-131.2 -82.5 148.0 39.6 -45.5 -3.1 1873 497 D Q H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.945 115.5 44.7 -49.9 -49.8 38.8 -47.4 -6.3 1874 498 D A H > S+ 0 0 34 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.829 106.4 59.5 -66.5 -34.9 42.5 -47.8 -6.7 1875 499 D W H 4 S+ 0 0 49 2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.901 111.8 38.8 -62.4 -45.4 43.3 -48.9 -3.1 1876 500 D R H >< S+ 0 0 136 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.965 111.3 57.6 -67.2 -53.6 41.0 -51.9 -3.2 1877 501 D E H 3< S+ 0 0 145 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.583 96.9 67.7 -55.8 -14.9 42.0 -52.9 -6.8 1878 502 D A T 3< 0 0 42 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.1 -0.075 360.0 360.0 -97.9 31.1 45.6 -53.0 -5.4 1879 503 D Q < 0 0 184 -3,-1.3 -2,-0.1 0, 0.0 -3,-0.1 0.224 360.0 360.0-133.9 360.0 44.9 -56.1 -3.3