==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-MAY-04 1T86 . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR S.NAGANO,T.TOSHA,K.ISHIMORI,I.MORISHIMA,T.L.POULOS . 812 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 7.9 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 . 4 0.5 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 . 32 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 4 1 5 0 0 4 0 5 2 1 2 0 2 0 2 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 2 8 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 0 2 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 9 A A 0 0 131 0, 0.0 2,-1.5 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0-139.2 28.7 51.6 13.5 2 10 A N + 0 0 155 2,-0.0 2,-0.5 0, 0.0 49,-0.5 -0.651 360.0 165.9 -90.2 81.4 31.6 53.8 14.7 3 11 A L - 0 0 68 -2,-1.5 47,-0.2 47,-0.1 3,-0.1 -0.864 31.0-134.3-104.6 129.2 32.9 51.6 17.5 4 12 A A - 0 0 27 45,-3.2 49,-0.0 -2,-0.5 -2,-0.0 -0.482 39.2 -87.6 -78.4 148.2 36.3 52.1 19.1 5 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.302 50.5-103.8 -58.3 133.2 38.6 49.1 19.8 6 14 A L - 0 0 51 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.380 35.1-119.5 -62.1 122.4 37.9 47.5 23.1 7 15 A P > - 0 0 31 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.306 22.0-117.3 -61.8 147.5 40.5 48.3 25.7 8 16 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.788 110.8 57.3 -55.9 -32.8 42.4 45.2 27.1 9 17 A H T 3 S+ 0 0 51 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.530 86.2 94.9 -80.6 -4.4 41.2 45.8 30.7 10 18 A V S < S- 0 0 2 -3,-1.6 2,-0.1 292,-0.1 5,-0.1 -0.786 73.8-132.1 -95.7 118.0 37.5 45.7 29.8 11 19 A P > - 0 0 43 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.405 16.2-129.6 -64.1 136.5 35.6 42.3 30.1 12 20 A E G > S+ 0 0 148 1,-0.3 3,-1.4 2,-0.2 35,-0.1 0.812 105.6 63.3 -58.4 -32.0 33.6 41.4 27.0 13 21 A H G 3 S+ 0 0 140 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.555 98.0 57.2 -72.7 -5.4 30.5 40.7 29.1 14 22 A L G < S+ 0 0 14 -3,-2.0 33,-2.9 28,-0.1 2,-0.4 0.402 80.8 111.8-102.6 1.0 30.5 44.4 30.2 15 23 A V B < +a 47 0A 35 -3,-1.4 2,-0.3 -4,-0.2 33,-0.2 -0.605 30.8 160.0 -79.8 129.9 30.3 45.8 26.7 16 24 A F - 0 0 54 31,-2.5 2,-2.3 -2,-0.4 30,-0.1 -0.800 33.3-142.3-149.4 101.8 27.0 47.5 25.8 17 25 A D + 0 0 54 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.365 33.7 164.8 -72.4 70.5 27.4 49.8 22.8 18 26 A F - 0 0 8 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.685 26.7-150.3 -86.7 136.3 25.0 52.7 23.8 19 27 A D > - 0 0 47 -2,-0.3 3,-1.4 1,-0.1 -2,-0.0 -0.899 4.4-164.5-111.4 103.1 25.4 55.9 21.8 20 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.679 89.7 49.2 -61.1 -19.2 24.5 58.9 24.0 21 29 A Y T 3 S+ 0 0 46 1,-0.2 364,-0.4 363,-0.0 -1,-0.3 0.586 130.7 15.2 -96.7 -9.6 24.2 61.2 21.0 22 30 A N S < S- 0 0 105 -3,-1.4 -1,-0.2 362,-0.1 -2,-0.2 -0.313 79.3-167.5-159.8 65.0 22.0 58.9 19.0 23 31 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 11,-0.1 -0.259 28.5-119.7 -59.9 143.4 20.5 56.0 21.1 24 32 A S T 3 S+ 0 0 130 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.797 108.9 43.1 -53.3 -40.0 18.8 53.1 19.2 25 33 A N T > S+ 0 0 67 8,-0.2 3,-2.1 1,-0.2 -1,-0.3 0.043 72.9 126.0-101.0 29.7 15.3 53.5 20.6 26 34 A L G X + 0 0 31 -3,-1.6 3,-2.7 1,-0.3 357,-0.4 0.836 63.8 67.2 -53.4 -38.0 15.2 57.3 20.3 27 35 A S G 3 S+ 0 0 121 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.721 95.1 59.1 -58.3 -19.9 11.9 57.1 18.3 28 36 A A G < S- 0 0 45 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.542 132.3 -73.1 -85.9 -6.6 10.3 55.8 21.5 29 37 A G <> - 0 0 9 -3,-2.7 4,-2.3 -4,-0.3 -1,-0.3 -0.193 42.1-101.3 122.0 143.2 11.3 58.9 23.4 30 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.927 122.1 47.8 -65.6 -43.3 14.7 60.0 24.6 31 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 113.6 49.9 -62.0 -39.8 14.1 58.9 28.3 32 40 A E H 4 S+ 0 0 57 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.883 108.1 53.9 -62.9 -38.8 12.8 55.6 27.0 33 41 A A H >< S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 -8,-0.2 0.901 111.1 44.2 -64.2 -41.1 15.9 55.3 24.8 34 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.859 102.5 67.7 -71.4 -33.8 18.2 55.7 27.7 35 43 A A G >< S+ 0 0 20 -4,-2.1 3,-2.5 1,-0.3 -1,-0.2 0.617 77.2 81.1 -62.8 -13.2 16.1 53.4 29.9 36 44 A V G X S+ 0 0 28 -3,-0.8 3,-1.3 -4,-0.5 -1,-0.3 0.775 81.7 68.4 -64.0 -19.9 17.1 50.5 27.7 37 45 A L G < S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.584 96.1 54.3 -72.7 -9.1 20.3 50.6 29.8 38 46 A Q G < S+ 0 0 17 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.256 80.0 114.5-109.6 12.4 18.1 49.4 32.7 39 47 A E S X S- 0 0 108 -3,-1.3 3,-1.9 1,-0.1 -3,-0.0 -0.398 84.0-100.4 -76.2 161.3 16.7 46.3 31.1 40 48 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.711 117.5 63.2 -56.5 -25.1 17.7 43.0 32.7 41 49 A N T 3 S+ 0 0 101 2,-0.0 -1,-0.3 1,-0.0 -4,-0.1 0.587 89.3 84.0 -78.7 -7.9 20.3 42.2 30.0 42 50 A V S < S- 0 0 9 -3,-1.9 -28,-0.1 -6,-0.1 4,-0.1 -0.846 74.6-134.5-104.9 121.9 22.4 45.2 31.0 43 51 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.161 30.3-105.0 -63.2 163.7 24.9 45.1 33.9 44 52 A D S S+ 0 0 58 1,-0.2 14,-3.0 13,-0.1 2,-0.5 0.871 110.9 29.5 -56.8 -42.2 25.1 47.9 36.5 45 53 A L E S+ B 0 57A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.984 79.8 172.1-126.0 120.7 28.3 49.3 35.0 46 54 A V E - B 0 56A 0 10,-2.2 10,-2.4 -2,-0.5 2,-0.5 -0.840 27.8-129.4-127.4 165.1 29.0 48.8 31.3 47 55 A W E -aB 15 55A 12 -33,-2.9 -31,-2.5 -2,-0.3 2,-0.4 -0.953 18.0-160.6-115.7 127.1 31.5 49.9 28.6 48 56 A T E - B 0 54A 0 6,-3.0 6,-2.1 -2,-0.5 -31,-0.2 -0.877 13.7-154.4-106.5 141.4 30.3 51.4 25.3 49 57 A R > + 0 0 79 -2,-0.4 -45,-3.2 4,-0.2 3,-0.6 0.489 67.2 104.3 -89.4 -3.7 32.7 51.4 22.3 50 58 A C G > S+ 0 0 10 -32,-0.3 3,-2.2 1,-0.2 -47,-0.1 -0.356 77.6 17.8 -75.8 157.5 30.7 54.4 21.0 51 59 A N G 3 S- 0 0 42 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.825 143.0 -44.6 51.1 40.3 32.0 58.0 21.1 52 60 A G G < S- 0 0 57 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.277 105.0 -75.7 91.5 -11.6 35.6 56.9 21.7 53 61 A G < + 0 0 5 -3,-2.2 256,-0.3 1,-0.1 2,-0.3 0.530 65.0 160.6 89.9 124.1 34.7 54.3 24.3 54 62 A H E -B 48 0A 0 -6,-2.1 -6,-3.0 254,-0.1 256,-0.2 -0.984 37.5 -96.1-167.5 161.9 33.6 55.0 27.9 55 63 A W E -Bc 47 310A 0 254,-2.8 256,-3.3 -2,-0.3 2,-0.4 -0.467 28.8-159.9 -82.5 159.0 31.9 53.5 31.0 56 64 A I E -Bc 46 311A 0 -10,-2.4 -10,-2.2 254,-0.2 2,-0.5 -0.970 8.9-148.0-141.2 123.1 28.3 54.2 31.8 57 65 A A E -B 45 0A 0 254,-2.3 -12,-0.2 -2,-0.4 259,-0.1 -0.804 14.1-173.7 -89.4 131.4 26.8 53.7 35.2 58 66 A T + 0 0 0 -14,-3.0 2,-0.4 -2,-0.5 -13,-0.1 0.491 54.6 70.6-106.8 -3.5 23.2 52.6 34.8 59 67 A R S > S- 0 0 10 -15,-0.4 4,-2.4 1,-0.1 3,-0.4 -0.921 76.0-126.8-121.6 143.6 21.8 52.6 38.4 60 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.7 256,-0.3 5,-0.3 0.824 108.3 58.2 -49.5 -39.7 21.0 55.5 40.8 61 69 A Q H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 110.7 40.2 -58.7 -51.2 23.2 53.9 43.5 62 70 A L H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.887 114.9 52.9 -67.1 -39.7 26.4 53.9 41.4 63 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 112.6 43.6 -61.3 -48.2 25.6 57.3 39.9 64 72 A R H X S+ 0 0 43 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.943 114.2 50.6 -63.4 -48.3 25.2 58.9 43.3 65 73 A E H X S+ 0 0 66 -4,-2.4 4,-1.7 -5,-0.3 3,-0.3 0.912 111.9 47.5 -56.7 -45.4 28.2 57.2 44.8 66 74 A A H < S+ 0 0 1 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.899 108.6 53.1 -65.1 -42.3 30.4 58.3 41.9 67 75 A Y H < S+ 0 0 4 -4,-2.3 279,-0.5 1,-0.2 280,-0.2 0.760 110.6 49.1 -65.5 -22.8 29.3 61.9 42.0 68 76 A E H < S+ 0 0 116 -4,-1.4 2,-1.4 -3,-0.3 -1,-0.2 0.826 100.0 67.2 -83.7 -34.0 30.1 62.0 45.7 69 77 A D >X + 0 0 38 -4,-1.7 4,-2.4 1,-0.2 3,-0.8 -0.565 54.1 160.5 -91.1 76.0 33.6 60.5 45.3 70 78 A Y T 34 + 0 0 48 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.691 65.1 73.1 -69.2 -18.1 35.5 63.3 43.4 71 79 A R T 34 S+ 0 0 174 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.877 114.8 22.2 -64.0 -37.1 38.8 61.9 44.5 72 80 A H T <4 S+ 0 0 51 -3,-0.8 222,-2.2 1,-0.2 2,-0.8 0.784 127.6 50.6 -96.9 -35.8 38.4 59.0 42.1 73 81 A F E < S-D 293 0A 0 -4,-2.4 -1,-0.2 -7,-0.2 220,-0.2 -0.808 79.8-165.7-109.1 91.8 35.9 60.5 39.7 74 82 A S E > -D 292 0A 3 218,-2.7 218,-2.3 -2,-0.8 3,-0.6 -0.503 25.8-147.1 -83.2 143.3 37.2 63.9 38.6 75 83 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.1 216,-0.2 4,-0.1 0.334 77.2 103.1 -84.9 5.7 35.2 66.7 36.9 76 84 A E T 3 S+ 0 0 143 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.884 95.7 22.7 -56.9 -39.7 38.4 67.7 35.1 77 85 A C S < S+ 0 0 8 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.734 78.6 158.3-129.6 80.0 37.1 66.0 31.9 78 86 A P + 0 0 1 0, 0.0 212,-2.6 0, 0.0 2,-0.3 0.497 47.8 73.0 -83.3 -9.4 33.3 65.9 32.4 79 87 A F S S- 0 0 14 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.836 76.4-108.5-113.7 152.7 32.0 65.5 28.8 80 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.918 91.9 52.5-111.9 139.1 32.1 62.6 26.3 81 89 A P S >> S- 0 0 29 0, 0.0 4,-2.6 0, 0.0 3,-0.9 0.582 87.5-125.4 -74.7 168.5 33.7 62.4 23.8 82 90 A R H 3> S+ 0 0 79 -31,-0.4 4,-3.3 1,-0.3 5,-0.3 0.847 109.2 61.0 -48.1 -41.5 37.2 62.9 25.3 83 91 A E H 3> S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.921 110.5 40.0 -53.4 -47.9 37.9 65.7 22.9 84 92 A A H <> S+ 0 0 4 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.943 114.0 54.1 -66.3 -48.7 34.9 67.7 24.2 85 93 A G H < S+ 0 0 0 -4,-2.6 -2,-0.2 -6,-0.6 -1,-0.2 0.886 110.6 46.4 -53.0 -43.8 35.7 66.7 27.8 86 94 A E H < S+ 0 0 133 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 113.2 47.5 -70.6 -35.7 39.3 68.0 27.4 87 95 A A H < S+ 0 0 21 -4,-1.7 2,-0.7 -5,-0.3 -1,-0.2 0.798 89.7 99.2 -74.8 -27.6 38.2 71.3 25.8 88 96 A Y < + 0 0 12 -4,-2.4 -9,-0.1 -5,-0.2 98,-0.0 -0.446 36.5 152.7 -63.9 106.4 35.6 71.9 28.5 89 97 A D + 0 0 40 -2,-0.7 -1,-0.2 -12,-0.1 5,-0.1 0.063 17.1 148.4-125.5 26.6 37.1 74.3 31.0 90 98 A F > - 0 0 4 145,-0.1 4,-2.3 1,-0.1 143,-0.2 -0.204 48.9 -89.3 -60.0 153.0 34.0 76.0 32.4 91 99 A I T 4 S- 0 0 0 141,-2.0 145,-0.2 1,-0.2 -1,-0.1 -0.947 97.4 -2.4-116.3 137.2 34.0 77.1 36.0 92 100 A P T >4 S+ 0 0 9 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 -0.990 122.3 67.3 -95.3 6.8 33.3 75.6 38.4 93 101 A T T 34 S+ 0 0 26 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.752 99.3 52.8 -55.5 -29.3 32.2 72.5 36.6 94 102 A S T 3< S+ 0 0 14 -4,-2.3 2,-0.3 -17,-0.1 -1,-0.3 0.353 101.0 81.8 -90.1 9.8 35.6 71.5 35.4 95 103 A M < - 0 0 7 -3,-2.3 -5,-0.0 -5,-0.1 -6,-0.0 -0.848 65.4-147.4-115.9 150.0 37.0 71.8 39.0 96 104 A D > - 0 0 29 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.718 44.9 -57.4-107.4 159.4 37.0 69.4 41.9 97 105 A P T 4 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.441 116.7 33.6 -66.9 154.6 36.8 70.4 45.6 98 106 A P T >> S+ 0 0 91 0, 0.0 3,-0.8 0, 0.0 4,-0.6 -0.965 126.1 43.6 -76.6 -27.1 38.6 72.2 47.3 99 107 A E H >> S+ 0 0 116 -3,-0.3 4,-0.7 1,-0.2 3,-0.5 0.857 111.9 54.9 -45.4 -48.5 39.3 74.4 44.2 100 108 A Q H >X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 3,-0.6 0.849 90.1 77.0 -56.4 -41.1 35.7 74.5 43.1 101 109 A R H <> S+ 0 0 149 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.819 92.7 46.9 -40.2 -55.1 34.2 75.8 46.4 102 110 A Q H X S- 0 0 7 -4,-2.3 4,-1.9 -5,-0.3 3,-1.0 0.063 83.1 -83.0 -65.5 176.6 20.7 81.3 44.0 113 121 A M H 3> S+ 0 0 30 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.845 126.2 58.0 -49.3 -43.0 17.4 81.3 45.8 114 122 A P H 3> S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.881 108.9 46.1 -58.0 -37.4 17.7 85.0 46.9 115 123 A V H <> S+ 0 0 29 -3,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.886 111.7 51.8 -70.7 -40.6 18.1 86.0 43.3 116 124 A V H X S+ 0 0 1 -4,-1.9 4,-1.1 2,-0.2 3,-0.3 0.933 109.1 49.7 -61.9 -47.4 15.1 83.8 42.2 117 125 A D H >< S+ 0 0 55 -4,-3.0 3,-0.7 1,-0.2 4,-0.4 0.925 112.0 48.0 -58.3 -44.7 12.9 85.3 44.9 118 126 A K H 3< S+ 0 0 183 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.753 115.4 46.3 -67.2 -24.6 13.8 88.9 43.8 119 127 A L H >X S+ 0 0 30 -4,-1.4 4,-2.2 -3,-0.3 3,-0.9 0.527 81.7 98.7 -96.2 -8.4 13.2 87.9 40.2 120 128 A E H S+ 0 0 133 -4,-0.4 4,-2.6 -3,-0.2 -1,-0.3 0.889 109.7 45.1 -59.1 -39.7 7.8 89.2 39.6 122 130 A R H <> S+ 0 0 111 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.884 112.8 51.7 -70.4 -37.8 9.6 89.3 36.3 123 131 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.957 113.4 44.1 -61.4 -49.8 9.2 85.6 35.9 124 132 A Q H X S+ 0 0 61 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.926 113.2 52.7 -59.0 -47.7 5.5 85.9 36.6 125 133 A E H X S+ 0 0 108 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.921 112.1 43.0 -55.3 -51.2 5.2 88.9 34.3 126 134 A L H X S+ 0 0 25 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.904 111.4 53.4 -66.6 -42.8 6.8 87.2 31.3 127 135 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.944 112.4 45.8 -57.4 -48.0 5.0 83.9 31.6 128 136 A C H X S+ 0 0 24 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.884 113.5 47.7 -63.5 -41.1 1.7 85.7 31.7 129 137 A S H X S+ 0 0 60 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.940 114.2 45.8 -67.7 -46.9 2.4 88.0 28.7 130 138 A L H X S+ 0 0 16 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.931 115.4 46.7 -61.0 -46.7 3.7 85.2 26.5 131 139 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.897 112.0 50.1 -64.6 -40.4 0.9 82.9 27.3 132 140 A E H < S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 107.3 54.4 -65.6 -38.1 -1.8 85.6 26.8 133 141 A S H < S+ 0 0 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151 A T H 34>S+ 0 0 18 1,-0.2 5,-1.7 3,-0.2 -1,-0.2 0.920 121.8 30.0 -60.5 -42.5 9.7 75.2 21.6 144 152 A E H <45S+ 0 0 126 -3,-0.6 -2,-0.2 3,-0.2 -1,-0.2 0.815 123.9 46.9 -86.2 -31.7 10.1 78.5 19.7 145 153 A D H <5S- 0 0 46 -4,-3.2 -3,-0.2 3,-0.1 -2,-0.2 0.657 136.3 -11.6 -87.6 -18.2 7.1 80.3 21.1 146 154 A Y T X5S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -3,-0.2 0.464 120.7 65.3-143.5 -56.4 7.5 79.7 24.8 147 155 A A T 4 S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.865 109.0 56.6 -58.3 -39.4 11.9 82.8 25.0 150 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 5,-0.2 0.986 117.7 27.2 -59.8 -65.0 10.5 82.4 28.5 151 159 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.898 124.1 51.8 -66.4 -38.0 13.6 81.0 30.4 152 160 A I H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.914 108.9 47.6 -65.6 -45.2 16.1 82.6 28.0 153 161 A R H X S+ 0 0 83 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.861 111.6 52.2 -66.3 -32.6 14.7 86.1 28.2 154 162 A I H X S+ 0 0 4 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.937 111.7 46.9 -66.2 -44.7 14.6 85.8 32.0 155 163 A F H X S+ 0 0 12 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.901 110.6 51.3 -62.6 -42.6 18.3 84.7 31.9 156 164 A M H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.8 0.884 109.3 51.1 -63.9 -35.9 19.2 87.6 29.6 157 165 A L H ><5S+ 0 0 76 -4,-2.0 3,-0.5 3,-0.2 -1,-0.2 0.931 111.9 48.2 -63.7 -43.6 17.5 90.0 31.9 158 166 A L H 3<5S+ 0 0 21 -4,-2.3 53,-2.6 1,-0.2 -2,-0.2 0.916 117.0 40.7 -61.6 -45.8 19.5 88.5 34.8 159 167 A A H 3<5S- 0 0 1 -4,-2.9 53,-0.3 51,-0.2 -1,-0.2 0.478 108.7-123.3 -83.4 -3.4 22.8 88.7 32.9 160 168 A G T <<5 + 0 0 31 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.923 60.7 144.8 60.9 45.9 22.0 92.1 31.4 161 169 A L < - 0 0 12 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.892 55.7 -99.1-117.3 147.7 22.4 91.0 27.8 162 170 A P > - 0 0 62 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.416 18.6-139.4 -65.7 130.5 20.5 92.1 24.7 163 171 A E G > S+ 0 0 92 1,-0.3 3,-1.9 2,-0.2 -6,-0.0 0.783 101.6 74.4 -59.4 -23.9 17.7 89.8 23.6 164 172 A E G 3 S+ 0 0 169 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.732 90.6 56.4 -60.4 -22.6 19.0 90.5 20.1 165 173 A D G <> S+ 0 0 34 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.498 80.6 93.7 -89.4 -4.9 21.9 88.2 20.9 166 174 A I H <> S+ 0 0 27 -3,-1.9 4,-3.3 -4,-0.2 5,-0.3 0.934 79.9 52.0 -54.8 -55.8 19.8 85.2 21.7 167 175 A P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.912 113.6 45.4 -48.9 -48.1 19.7 83.5 18.3 168 176 A H H > S+ 0 0 100 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.931 117.5 42.1 -61.3 -50.0 23.5 83.7 18.1 169 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.880 111.3 55.1 -67.1 -40.7 24.2 82.4 21.6 170 178 A K H X S+ 0 0 17 -4,-3.3 4,-1.9 -5,-0.2 -1,-0.2 0.891 106.2 51.7 -62.0 -40.7 21.5 79.7 21.5 171 179 A Y H X S+ 0 0 94 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.2 0.953 113.2 45.9 -60.1 -47.8 23.0 78.2 18.4 172 180 A L H >X S+ 0 0 5 -4,-1.6 3,-0.8 1,-0.2 4,-0.6 0.896 109.2 51.8 -63.4 -45.5 26.4 78.1 20.1 173 181 A T H >X S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 4,-0.9 0.899 108.0 54.2 -60.2 -39.1 25.3 76.6 23.5 174 182 A D H 3X S+ 0 0 26 -4,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.709 97.6 63.7 -68.5 -21.0 23.5 73.8 21.6 175 183 A Q H << S+ 0 0 8 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.701 103.2 49.8 -76.2 -17.1 26.7 72.8 19.8 176 184 A M H << S+ 0 0 2 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.733 122.3 29.8 -90.5 -24.8 28.3 72.0 23.1 177 185 A T H < S+ 0 0 3 -4,-0.9 210,-2.4 1,-0.1 211,-0.4 0.792 139.5 13.9-102.2 -37.8 25.4 69.8 24.4 178 186 A R S < S- 0 0 21 -4,-2.6 -2,-0.2 208,-0.2 -1,-0.1 -0.509 79.4-159.4-139.6 66.9 23.9 68.4 21.1 179 187 A P - 0 0 52 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.161 8.9-159.5 -49.0 132.4 26.4 69.0 18.3 180 188 A D - 0 0 101 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.397 47.3-106.7 -95.5 2.2 24.7 68.9 14.9 181 189 A G S S+ 0 0 70 2,-0.3 3,-0.1 -6,-0.1 -6,-0.0 0.320 99.4 101.3 92.4 -7.5 28.1 68.2 13.2 182 190 A S S S+ 0 0 73 1,-0.1 2,-0.3 2,-0.0 -7,-0.0 0.613 84.0 38.1 -84.8 -12.1 28.4 71.7 11.7 183 191 A M S S- 0 0 44 -8,-0.1 -2,-0.3 -11,-0.0 2,-0.1 -0.999 79.6-121.1-141.8 140.4 30.8 73.0 14.4 184 192 A T > - 0 0 75 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.501 32.7-118.0 -75.5 149.0 33.7 71.5 16.3 185 193 A F H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.899 111.6 47.9 -53.3 -51.0 33.2 71.5 20.1 186 194 A A H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.832 110.1 53.5 -62.6 -34.1 36.2 73.7 20.9 187 195 A E H > S+ 0 0 118 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 107.9 49.4 -70.3 -36.9 35.2 76.2 18.2 188 196 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.907 112.8 48.9 -67.0 -40.4 31.7 76.6 19.6 189 197 A K H X S+ 0 0 22 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.935 110.9 48.7 -63.7 -47.3 33.1 77.1 23.0 190 198 A E H X S+ 0 0 83 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.866 107.0 56.4 -61.9 -36.4 35.6 79.7 21.8 191 199 A A H X S+ 0 0 24 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.890 107.7 49.2 -62.2 -38.3 32.9 81.6 20.0 192 200 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.919 113.7 46.2 -65.9 -42.8 31.0 81.8 23.3 193 201 A Y H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.868 106.5 57.5 -67.6 -38.7 34.2 83.1 24.9 194 202 A D H < S+ 0 0 98 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.9 48.2 -60.2 -35.0 34.9 85.6 22.1 195 203 A Y H X S+ 0 0 35 -4,-1.4 4,-0.6 -5,-0.2 -2,-0.2 0.924 115.6 43.1 -70.3 -46.3 31.4 87.1 22.8 196 204 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.4 0.839 97.0 73.9 -71.1 -37.5 31.9 87.3 26.6 197 205 A I H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.897 99.8 41.3 -46.7 -57.8 35.5 88.6 26.7 198 206 A P H > S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.834 115.5 52.8 -63.2 -30.2 34.8 92.3 25.7 199 207 A I H X S+ 0 0 28 -4,-0.6 4,-2.2 -3,-0.4 -2,-0.2 0.911 108.8 48.3 -70.4 -43.2 31.7 92.4 27.8 200 208 A I H X S+ 0 0 3 -4,-2.7 4,-0.8 2,-0.2 5,-0.2 0.904 110.6 51.8 -63.9 -40.9 33.5 91.2 30.9 201 209 A E H >X S+ 0 0 81 -4,-2.2 4,-1.3 -5,-0.3 3,-0.9 0.943 110.4 49.6 -60.9 -45.5 36.2 93.7 30.4 202 210 A Q H 3X S+ 0 0 92 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.881 111.6 47.2 -61.8 -39.7 33.6 96.5 30.1 203 211 A R H 3< S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.514 106.8 56.5 -84.4 -2.6 31.8 95.4 33.3 204 212 A R H << S+ 0 0 76 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.721 115.7 38.9 -92.0 -27.7 35.0 95.2 35.3 205 213 A Q H < S+ 0 0 120 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.900 136.6 17.7 -84.7 -48.0 35.7 98.8 34.4 206 214 A K S < S- 0 0 137 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 -0.698 88.3-156.6-129.0 77.9 32.1 100.1 34.6 207 215 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.219 7.2-165.2 -57.6 136.6 30.2 97.5 36.7 208 216 A G - 0 0 38 -5,-0.1 -48,-0.0 2,-0.1 0, 0.0 -0.233 37.1-100.0-104.6-162.3 26.4 97.3 36.3 209 217 A T S S+ 0 0 144 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.382 84.9 112.5-103.0 1.3 23.9 95.5 38.6 210 218 A D S > S- 0 0 22 -51,-0.1 4,-2.0 1,-0.1 -51,-0.2 -0.196 82.6-105.7 -72.6 164.5 23.7 92.4 36.3 211 219 A A H > S+ 0 0 7 -53,-2.6 4,-2.6 1,-0.2 -52,-0.2 0.835 119.0 54.3 -59.8 -37.4 24.9 88.9 37.1 212 220 A I H > S+ 0 0 4 -53,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.911 107.9 49.1 -66.7 -40.5 27.9 89.2 34.7 213 221 A S H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.907 111.9 50.6 -63.2 -40.0 29.1 92.4 36.5 214 222 A I H < S+ 0 0 67 -4,-2.0 3,-0.4 2,-0.2 -2,-0.2 0.942 114.5 42.5 -62.3 -48.3 28.7 90.6 39.8 215 223 A V H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.929 112.4 52.5 -64.8 -47.0 30.8 87.6 38.6 216 224 A A H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.685 117.2 39.0 -64.4 -20.5 33.4 89.7 36.8 217 225 A N T 3< S+ 0 0 75 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.163 93.4 118.1-114.7 16.0 34.0 91.7 40.0 218 226 A G < - 0 0 11 -3,-1.5 7,-2.3 6,-0.1 2,-0.4 -0.195 58.7-123.6 -78.4 173.0 33.7 88.9 42.5 219 227 A Q E -H 224 0C 134 5,-0.2 2,-0.4 -117,-0.1 -2,-0.1 -0.954 22.4-176.9-121.3 139.6 36.4 87.7 44.9 220 228 A V E > S-H 223 0C 0 3,-3.1 3,-1.5 -2,-0.4 -117,-0.1 -1.000 71.9 -1.5-136.0 133.1 37.7 84.2 45.3 221 229 A N T 3 S- 0 0 103 -2,-0.4 -1,-0.1 1,-0.3 -118,-0.0 0.861 130.5 -56.5 57.3 38.7 40.2 82.9 47.8 222 230 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.629 122.8 86.7 71.1 13.3 40.6 86.4 49.3 223 231 A R E < S-H 220 0C 81 -3,-1.5 -3,-3.1 0, 0.0 -1,-0.2 -0.945 86.7 -80.8-141.2 162.2 41.5 87.9 45.9 224 232 A P E -H 219 0C 91 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.314 47.7-113.8 -62.2 141.0 39.9 89.4 42.8 225 233 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109.1 47.8 -63.3 -45.1 5.5 82.8 62.1 560 161 B R H X S+ 0 0 83 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.893 111.3 52.3 -64.5 -36.4 4.1 86.3 62.1 561 162 B I H X S+ 0 0 2 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.939 111.7 46.6 -63.1 -45.2 3.7 86.2 65.8 562 163 B F H X S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.914 111.3 49.7 -63.2 -44.5 7.3 85.1 66.2 563 164 B M H X>S+ 0 0 2 -4,-2.7 5,-2.5 2,-0.2 4,-0.9 0.857 110.4 52.7 -63.0 -32.9 8.6 87.8 63.8 564 165 B L H ><5S+ 0 0 74 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.949 111.2 45.8 -64.8 -48.0 6.5 90.2 65.9 565 166 B L H 3<5S+ 0 0 23 -4,-2.5 53,-2.7 1,-0.2 -2,-0.2 0.883 117.6 43.4 -62.2 -40.0 8.2 89.0 69.0 566 167 B A H 3<5S- 0 0 2 -4,-2.9 53,-0.4 51,-0.2 -1,-0.2 0.517 107.5-123.9 -85.0 -6.4 11.6 89.1 67.4 567 168 B G T <<5 + 0 0 33 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.905 60.2 146.5 64.1 41.7 11.1 92.5 65.8 568 169 B L < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.906 54.3-101.8-114.6 140.2 11.9 91.1 62.3 569 170 B P > - 0 0 59 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.291 19.6-137.2 -58.7 134.9 10.3 92.2 59.0 570 171 B E G > S+ 0 0 105 1,-0.3 3,-1.6 2,-0.2 -6,-0.0 0.781 101.7 71.3 -64.9 -24.4 7.6 89.9 57.6 571 172 B E G 3 S+ 0 0 161 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.716 91.7 60.3 -63.9 -18.5 9.2 90.3 54.2 572 173 B D G <> S+ 0 0 37 -3,-1.7 4,-2.3 1,-0.2 3,-0.3 0.608 78.2 92.7 -83.9 -13.8 12.1 88.2 55.5 573 174 B I H <> S+ 0 0 29 -3,-1.6 4,-3.5 -4,-0.3 5,-0.4 0.886 79.9 53.5 -47.9 -52.2 9.9 85.2 56.2 574 175 B P H > S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.923 112.9 43.8 -51.7 -49.1 10.4 83.4 52.8 575 176 B H H > S+ 0 0 60 -4,-0.3 4,-2.0 -3,-0.3 -2,-0.2 0.922 118.7 42.5 -63.0 -47.1 14.1 83.5 53.1 576 177 B L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.920 112.4 52.3 -67.8 -45.7 14.2 82.4 56.8 577 178 B K H X S+ 0 0 19 -4,-3.5 4,-2.2 -5,-0.3 -1,-0.2 0.894 109.4 51.3 -58.4 -40.4 11.5 79.7 56.5 578 179 B Y H X S+ 0 0 36 -4,-1.9 4,-1.0 -5,-0.4 -1,-0.2 0.958 112.1 46.0 -62.0 -49.3 13.5 78.2 53.6 579 180 B L H >X S+ 0 0 3 -4,-2.0 4,-0.8 1,-0.2 3,-0.7 0.918 112.0 49.7 -60.1 -47.0 16.7 78.1 55.6 580 181 B T H >X S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 4,-0.8 0.912 107.5 55.2 -59.7 -43.1 15.1 76.7 58.8 581 182 B D H 3X S+ 0 0 27 -4,-2.2 4,-2.8 1,-0.3 -1,-0.2 0.748 99.4 61.2 -62.8 -24.5 13.4 73.9 56.7 582 183 B Q H << S+ 0 0 10 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.753 102.3 52.5 -74.3 -22.1 16.8 72.9 55.3 583 184 B M H << S+ 0 0 6 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.707 123.0 26.9 -83.5 -22.5 18.0 72.1 58.9 584 185 B T H < S+ 0 0 3 -4,-0.8 210,-2.3 -3,-0.2 211,-0.3 0.775 140.5 14.4-107.2 -40.0 15.0 69.9 59.7 585 186 B R S < S- 0 0 26 -4,-2.8 -2,-0.2 208,-0.2 -1,-0.1 -0.535 81.5-160.8-137.2 66.4 13.8 68.5 56.3 586 187 B P - 0 0 55 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.202 15.9-151.4 -53.3 131.7 16.7 69.2 53.8 587 188 B D - 0 0 80 3,-0.1 -5,-0.1 1,-0.0 -6,-0.0 0.550 48.5-109.1 -80.3 -7.0 15.7 69.1 50.2 588 189 B G S S+ 0 0 55 2,-0.4 3,-0.1 -6,-0.1 -1,-0.0 0.106 101.2 93.6 103.4 -21.5 19.3 68.0 49.5 589 190 B S S S+ 0 0 16 1,-0.2 2,-0.3 -245,-0.0 -237,-0.0 0.475 87.8 45.1 -83.4 -0.9 20.5 71.2 47.8 590 191 B M S S- 0 0 43 -8,-0.1 -2,-0.4 4,-0.0 -1,-0.2 -0.959 74.2-139.5-148.8 124.8 21.9 72.6 51.1 591 192 B T > - 0 0 78 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.341 32.3-110.2 -75.9 161.8 23.9 71.0 53.9 592 193 B F H > S+ 0 0 16 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.956 120.5 54.4 -56.2 -49.7 23.1 71.8 57.5 593 194 B A H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 108.8 47.9 -52.3 -41.7 26.4 73.7 57.7 594 195 B E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 113.4 47.0 -67.7 -42.3 25.4 75.9 54.8 595 196 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.941 111.5 51.3 -63.6 -47.3 21.9 76.6 56.2 596 197 B K H X S+ 0 0 25 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.908 111.2 48.8 -55.8 -44.6 23.4 77.4 59.6 597 198 B E H X S+ 0 0 93 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.827 110.1 49.5 -66.9 -34.6 25.8 79.8 58.0 598 199 B A H X S+ 0 0 28 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.872 111.9 50.3 -71.5 -36.8 23.2 81.6 55.9 599 200 B L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.923 112.9 44.7 -66.7 -44.4 21.1 81.9 59.0 600 201 B Y H X S+ 0 0 1 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.873 107.1 59.2 -67.8 -36.9 23.9 83.4 61.0 601 202 B D H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.5 47.3 -58.7 -34.5 24.9 85.7 58.1 602 203 B Y H X S+ 0 0 32 -4,-1.4 4,-0.7 -3,-0.1 -2,-0.2 0.914 118.1 39.9 -71.3 -45.6 21.4 87.1 58.5 603 204 B L H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.847 96.2 75.6 -75.5 -39.2 21.5 87.5 62.3 604 205 B I H X S+ 0 0 89 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.887 101.4 40.0 -43.0 -57.2 25.1 88.8 62.8 605 206 B P H > S+ 0 0 76 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.891 115.7 52.1 -63.6 -38.4 24.5 92.4 61.7 606 207 B I H X S+ 0 0 31 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.939 109.8 48.9 -62.3 -46.8 21.0 92.5 63.3 607 208 B I H X S+ 0 0 3 -4,-3.1 4,-1.1 2,-0.2 -1,-0.2 0.916 111.8 49.3 -59.1 -43.7 22.5 91.4 66.7 608 209 B E H >X S+ 0 0 83 -4,-2.2 4,-1.9 -5,-0.3 3,-0.6 0.937 110.7 49.9 -61.6 -47.2 25.3 94.0 66.4 609 210 B Q H 3X S+ 0 0 103 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.883 113.9 45.5 -59.4 -39.1 22.8 96.8 65.6 610 211 B R H 3< S+ 0 0 42 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.607 108.7 54.5 -84.0 -10.0 20.7 95.8 68.6 611 212 B R H << S+ 0 0 68 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.779 115.3 42.1 -85.8 -30.4 23.6 95.5 70.9 612 213 B Q H < S+ 0 0 127 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.904 136.3 14.6 -78.6 -45.0 24.5 99.0 69.9 613 214 B K S < S- 0 0 153 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 -0.706 87.5-151.9-135.3 81.3 20.9 100.4 70.0 614 215 B P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.193 9.8-166.8 -56.5 137.1 18.7 97.9 71.9 615 216 B G - 0 0 42 2,-0.1 -48,-0.0 -5,-0.1 0, 0.0 -0.197 37.7-101.3-104.5-159.4 15.0 97.6 71.1 616 217 B T S S+ 0 0 142 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.352 84.1 113.4-108.9 3.3 12.3 95.8 73.1 617 218 B D S > S- 0 0 22 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.213 83.0-103.2 -73.8 163.0 12.3 92.8 70.8 618 219 B A H > S+ 0 0 4 -53,-2.7 4,-2.5 1,-0.2 -52,-0.2 0.847 120.1 52.8 -54.7 -41.2 13.4 89.3 71.7 619 220 B I H > S+ 0 0 8 -53,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.921 108.8 49.2 -64.7 -42.9 16.7 89.6 69.8 620 221 B S H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.930 111.5 50.4 -61.0 -43.8 17.6 92.8 71.6 621 222 B I H < S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.933 115.7 41.4 -60.3 -46.4 16.8 91.1 74.9 622 223 B V H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.938 113.2 52.3 -66.2 -49.2 19.0 88.1 74.0 623 224 B A H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.736 118.8 36.4 -60.9 -26.8 21.8 90.1 72.5 624 225 B N T 3< S+ 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.149 95.9 128.6-111.6 17.6 22.1 92.3 75.6 625 226 B G < - 0 0 6 -3,-1.6 7,-2.4 8,-0.1 2,-0.5 -0.155 55.6-125.6 -73.6 166.8 21.4 89.6 78.1 626 227 B Q E -S 631 0I 102 5,-0.2 2,-0.6 -117,-0.1 3,-0.2 -0.947 15.8-164.4-114.4 128.9 23.3 88.5 81.2 627 228 B V E > S-S 630 0I 0 3,-3.2 3,-1.3 -2,-0.5 -117,-0.1 -0.943 79.5 -21.3-117.3 110.0 24.4 84.9 81.6 628 229 B N T 3 S- 0 0 126 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.970 128.4 -50.4 54.7 57.2 25.4 84.2 85.2 629 230 B G T 3 S+ 0 0 71 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.109 121.5 94.4 73.9 -22.9 26.0 87.9 86.0 630 231 B R E < S-S 627 0I 88 -3,-1.3 -3,-3.2 -2,-0.3 -1,-0.1 -0.715 83.8 -89.1-105.6 155.2 28.2 88.5 83.0 631 232 B P E -S 626 0I 84 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.277 39.8-119.5 -59.4 136.5 27.4 89.9 79.5 632 233 B I - 0 0 2 -7,-2.4 2,-0.1 -10,-0.1 -6,-0.0 -0.494 33.6-119.4 -73.0 147.4 26.4 87.4 76.8 633 234 B T > - 0 0 58 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.471 18.1-111.3 -87.4 162.5 28.9 87.5 73.8 634 235 B S H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.889 119.7 51.1 -57.6 -39.9 27.9 88.3 70.3 635 236 B D H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 110.1 47.3 -65.3 -44.5 28.6 84.7 69.3 636 237 B E H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.910 111.2 51.7 -63.5 -42.8 26.4 83.2 72.1 637 238 B A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.920 110.3 50.0 -59.7 -43.4 23.6 85.6 71.2 638 239 B K H X S+ 0 0 30 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.928 109.4 49.9 -60.3 -48.5 23.8 84.5 67.6 639 240 B R H X S+ 0 0 45 -4,-2.3 -141,-1.4 1,-0.2 4,-0.7 0.760 115.1 43.8 -65.4 -25.4 23.8 80.8 68.5 640 241 B M H X S+ 0 0 1 -4,-1.7 4,-2.0 -143,-0.2 -2,-0.2 0.875 112.3 50.7 -86.0 -41.2 20.7 81.3 70.7 641 242 B C H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.863 105.0 59.1 -63.9 -33.7 18.8 83.5 68.3 642 243 B G H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.905 107.6 45.7 -60.5 -40.6 19.4 81.0 65.5 643 244 B L H X S+ 0 0 35 -4,-0.7 4,-2.5 -145,-0.3 -1,-0.2 0.871 107.7 56.9 -69.8 -38.9 17.6 78.4 67.6 644 245 B L H X S+ 0 0 28 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.878 105.1 53.0 -60.9 -36.7 14.7 80.7 68.4 645 246 B L H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.923 109.5 47.0 -64.6 -45.1 14.2 81.3 64.7 646 247 B V H X S+ 0 0 19 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.908 113.3 49.5 -63.9 -41.8 13.9 77.5 64.0 647 248 B G H <>S+ 0 0 28 -4,-2.5 5,-0.5 1,-0.2 4,-0.5 0.927 114.5 44.1 -63.9 -43.4 11.5 77.1 66.9 648 249 B G H <5S+ 0 0 15 -4,-2.6 -86,-0.2 -5,-0.2 -1,-0.2 0.799 122.6 36.7 -72.9 -26.2 9.3 80.0 65.8 649 250 B L H <5S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.667 122.6 31.7-103.2 -16.6 9.3 78.9 62.1 650 251 B D T <5S+ 0 0 0 -4,-2.4 -2,-0.1 -5,-0.2 -1,-0.1 0.031 108.1 52.4-135.5 36.2 9.2 75.2 62.0 651 252 B T T >>5S+ 0 0 49 -4,-0.5 4,-2.3 -3,-0.1 3,-0.7 0.499 111.2 28.6-126.5 -80.4 7.4 73.7 65.0 652 253 B V H 3> S+ 0 0 4 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.927 108.7 36.5 -50.7 -48.7 3.6 75.7 62.0 654 255 B N H X> S+ 0 0 9 -3,-0.7 4,-1.6 1,-0.2 3,-0.5 0.906 113.7 56.0 -73.6 -42.0 3.7 71.9 61.2 655 256 B F H 3X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.886 100.3 58.4 -59.2 -42.2 1.7 70.8 64.2 656 257 B L H 3X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.845 105.2 51.5 -56.9 -36.5 -1.3 72.9 63.4 657 258 B S H < S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.2 7,-0.3 0.877 110.5 53.6 -62.6 -36.2 -10.3 67.6 62.6 664 265 B A H 3< S+ 0 0 6 -4,-2.3 118,-0.4 1,-0.2 -1,-0.2 0.816 112.8 44.5 -66.2 -30.7 -11.2 67.9 58.9 665 266 B K H 3< S+ 0 0 112 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.464 111.0 58.0 -92.6 -3.2 -11.3 64.1 58.7 666 267 B S S+ 0 0 65 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.860 83.6 59.3 -50.9 -40.1 -16.7 65.3 62.1 668 269 B E H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.925 105.5 45.3 -58.4 -48.9 -17.3 63.6 65.4 669 270 B H H > S+ 0 0 26 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.846 113.0 53.0 -65.6 -31.3 -14.3 65.2 67.1 670 271 B R H X S+ 0 0 11 -4,-1.8 4,-1.4 -7,-0.3 3,-0.3 0.965 109.2 47.4 -65.2 -51.1 -15.2 68.5 65.6 671 272 B Q H X S+ 0 0 93 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.819 106.9 59.9 -59.6 -32.0 -18.7 68.3 67.0 672 273 B E H X S+ 0 0 40 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.922 108.2 41.8 -63.3 -45.4 -17.3 67.3 70.4 673 274 B L H < S+ 0 0 2 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.698 113.6 53.7 -75.8 -20.2 -15.3 70.5 70.7 674 275 B I H < S+ 0 0 58 -4,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.897 116.7 37.4 -77.8 -43.4 -18.2 72.6 69.4 675 276 B E H < S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.856 130.7 31.9 -74.7 -37.0 -20.6 71.1 72.0 676 277 B R >< + 0 0 129 -4,-2.7 3,-2.9 -5,-0.2 4,-0.3 -0.555 65.6 166.4-122.8 67.3 -17.9 71.1 74.7 677 278 B P G > S+ 0 0 67 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.782 73.8 69.5 -50.3 -30.8 -15.6 74.1 74.0 678 279 B E G 3 S+ 0 0 118 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.621 89.6 64.4 -66.5 -10.4 -14.2 73.6 77.5 679 280 B R G <> S+ 0 0 93 -3,-2.9 4,-2.7 1,-0.2 -1,-0.3 0.560 74.5 93.8 -88.1 -8.9 -12.6 70.4 76.3 680 281 B I H <> S+ 0 0 4 -3,-1.9 4,-2.6 -4,-0.3 -1,-0.2 0.882 82.4 50.9 -52.7 -45.3 -10.4 72.3 73.8 681 282 B P H > S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.933 113.7 45.1 -61.3 -41.0 -7.4 72.5 76.1 682 283 B A H > S+ 0 0 49 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.879 112.5 51.6 -66.6 -38.5 -7.6 68.8 76.9 683 284 B A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.880 104.1 58.9 -64.4 -39.1 -8.0 68.1 73.1 684 285 B C H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.949 108.2 44.8 -54.2 -49.9 -4.9 70.2 72.5 685 286 B E H X S+ 0 0 46 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.898 112.2 50.4 -64.3 -42.3 -2.9 67.9 74.7 686 287 B E H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 3,-0.3 0.908 112.2 47.9 -63.2 -40.7 -4.3 64.7 73.2 687 288 B L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 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