==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JAN-09 3FWG . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR I.SCHLICHTING,K.VON KOENIG,C.ALDAG,D.HILVERT . 809 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 66.0 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 . 63 7.8 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 . 28 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 2 5 0 0 4 0 5 3 1 1 0 1 1 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 5 3 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 11 A L 0 0 141 0, 0.0 47,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 128.7 4.9 -13.9 62.6 2 12 A A - 0 0 25 45,-3.2 49,-0.0 1,-0.1 46,-0.0 -0.599 360.0 -94.9 -79.8 134.7 7.4 -13.0 65.4 3 13 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.191 47.9-102.6 -49.4 132.1 5.8 -12.3 68.8 4 14 A L - 0 0 52 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.413 35.9-121.6 -61.7 121.6 5.2 -8.6 69.3 5 15 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.418 19.2-120.1 -64.1 142.8 7.9 -7.0 71.6 6 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.754 110.8 59.0 -56.7 -29.4 6.5 -5.3 74.7 7 17 A H T 3 S+ 0 0 56 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.691 90.0 81.8 -76.9 -17.3 7.9 -1.9 73.7 8 18 A V S < S- 0 0 2 -3,-1.8 2,-0.1 292,-0.1 5,-0.1 -0.793 82.4-131.5 -91.6 116.0 5.9 -1.9 70.5 9 19 A P > - 0 0 44 0, 0.0 3,-2.2 0, 0.0 36,-0.1 -0.432 15.3-123.7 -69.3 140.0 2.3 -0.7 71.0 10 20 A E G > S+ 0 0 160 1,-0.3 3,-1.3 2,-0.2 35,-0.1 0.750 106.4 66.3 -53.2 -29.4 -0.3 -2.9 69.3 11 21 A H G 3 S+ 0 0 149 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.582 94.8 57.2 -72.7 -11.6 -1.7 0.1 67.4 12 22 A L G < S+ 0 0 13 -3,-2.2 33,-3.2 32,-0.1 2,-0.5 0.290 79.4 119.6-101.3 10.1 1.5 0.4 65.3 13 23 A V B < +a 45 0A 41 -3,-1.3 2,-0.4 31,-0.2 33,-0.2 -0.664 24.6 158.8 -85.6 121.1 1.4 -3.1 63.9 14 24 A F - 0 0 59 31,-2.9 2,-2.3 -2,-0.5 30,-0.1 -0.913 33.5-144.1-137.4 109.2 1.1 -3.6 60.2 15 25 A D + 0 0 55 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.291 32.9 167.5 -81.6 59.5 2.3 -7.1 59.1 16 26 A F - 0 0 6 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.541 25.8-149.8 -74.1 130.3 4.0 -6.2 55.8 17 27 A D > - 0 0 45 -2,-0.3 3,-1.3 3,-0.2 -2,-0.0 -0.880 5.2-164.9-105.8 104.9 6.2 -8.9 54.3 18 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.674 89.4 47.7 -64.2 -19.8 9.0 -7.2 52.3 19 29 A Y T 3 S+ 0 0 48 1,-0.2 364,-0.4 363,-0.0 -1,-0.3 0.508 131.8 13.9 -98.0 -9.4 9.9 -10.5 50.5 20 30 A N S < S- 0 0 104 -3,-1.3 -1,-0.2 362,-0.1 -2,-0.2 -0.349 80.5-167.7-161.5 69.0 6.3 -11.5 49.6 21 31 A P > - 0 0 2 0, 0.0 3,-1.5 0, 0.0 11,-0.1 -0.347 27.0-121.9 -69.7 148.6 3.9 -8.5 50.0 22 32 A S T 3 S+ 0 0 129 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.807 108.1 47.9 -61.1 -37.3 0.2 -9.2 49.9 23 33 A N T > S+ 0 0 67 8,-0.2 3,-2.0 1,-0.2 4,-0.3 0.115 73.5 126.1 -91.3 23.6 -0.7 -6.9 47.0 24 34 A L G X + 0 0 20 -3,-1.5 3,-2.1 1,-0.3 357,-0.3 0.814 63.3 62.8 -55.5 -36.6 2.1 -8.2 44.8 25 35 A S G 3 S+ 0 0 106 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.710 95.9 60.3 -64.3 -21.3 -0.1 -9.0 41.8 26 36 A A G < S- 0 0 50 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.537 131.2 -78.1 -77.4 -8.5 -1.1 -5.3 41.5 27 37 A G <> - 0 0 9 -3,-2.1 4,-2.5 -4,-0.3 -1,-0.3 -0.182 41.2 -96.3 115.1 147.7 2.7 -4.6 40.9 28 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 122.2 47.3 -67.9 -41.9 5.5 -4.4 43.4 29 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 114.3 49.8 -64.1 -39.0 5.5 -0.6 43.8 30 40 A E H 4 S+ 0 0 57 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.898 108.3 54.0 -62.2 -43.0 1.7 -0.8 44.3 31 41 A A H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -8,-0.2 0.911 112.0 42.8 -59.0 -45.9 2.2 -3.6 46.8 32 42 A W H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.845 102.7 69.1 -66.8 -33.5 4.6 -1.4 48.9 33 43 A A G >< S+ 0 0 20 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.552 76.1 82.2 -66.8 -8.9 2.4 1.6 48.5 34 44 A V G X S+ 0 0 24 -3,-0.9 3,-1.5 -4,-0.4 -1,-0.3 0.809 82.4 65.3 -62.5 -28.1 -0.3 -0.0 50.8 35 45 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.579 97.7 56.0 -67.6 -10.9 1.9 1.3 53.6 36 46 A Q G < S+ 0 0 22 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.271 76.9 124.6-109.0 9.8 1.0 4.8 52.4 37 47 A E S X S- 0 0 102 -3,-1.5 3,-2.2 1,-0.1 -3,-0.0 -0.328 77.3-104.3 -66.9 155.9 -2.8 4.5 52.6 38 48 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.709 117.6 55.0 -60.5 -26.2 -4.5 7.1 54.8 39 49 A N T 3 S+ 0 0 120 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.342 89.4 94.6 -88.5 4.1 -5.2 4.7 57.7 40 50 A V S < S- 0 0 7 -3,-2.2 -28,-0.1 -6,-0.1 4,-0.1 -0.868 74.4-125.0-105.4 127.6 -1.5 3.7 58.1 41 51 A P - 0 0 48 0, 0.0 3,-0.2 0, 0.0 15,-0.1 -0.160 26.1-109.4 -62.5 162.3 0.8 5.6 60.6 42 52 A D S S+ 0 0 57 1,-0.2 14,-2.8 256,-0.1 15,-0.6 0.723 109.0 32.3 -63.6 -24.8 4.1 7.2 59.5 43 53 A L E S+ B 0 55A 3 12,-0.2 2,-0.2 13,-0.1 -1,-0.2 -0.937 77.0 175.9-143.7 111.8 6.0 4.5 61.3 44 54 A V E - B 0 54A 0 10,-2.3 10,-2.5 -2,-0.4 2,-0.5 -0.721 24.2-131.4-116.9 162.6 4.8 0.9 61.7 45 55 A W E -aB 13 53A 11 -33,-3.2 -31,-2.9 -2,-0.2 2,-0.4 -0.957 16.8-161.4-112.1 131.3 6.0 -2.4 63.1 46 56 A T E - B 0 52A 0 6,-2.7 6,-2.1 -2,-0.5 -31,-0.2 -0.924 14.6-155.4-107.6 140.7 5.8 -5.6 61.1 47 57 A R > + 0 0 80 -2,-0.4 -45,-3.2 4,-0.2 3,-0.6 0.424 66.3 106.2 -89.4 -0.1 6.0 -9.0 62.8 48 58 A C G > S+ 0 0 16 -32,-0.3 3,-2.2 1,-0.2 -2,-0.1 -0.390 77.9 15.8 -74.4 155.6 7.2 -10.5 59.5 49 59 A N G 3 S- 0 0 53 1,-0.3 31,-0.3 -2,-0.1 -1,-0.2 0.834 142.3 -45.4 48.8 41.4 10.9 -11.5 58.9 50 60 A G G < S- 0 0 64 -3,-0.6 -1,-0.3 29,-0.1 -2,-0.2 0.279 104.8 -72.2 93.1 -8.6 11.7 -11.5 62.6 51 61 A G < + 0 0 3 -3,-2.2 256,-0.3 1,-0.1 2,-0.3 0.525 64.0 162.7 91.3 125.6 10.0 -8.1 63.4 52 62 A H E -B 46 0A 0 -6,-2.1 -6,-2.7 254,-0.1 256,-0.2 -0.983 36.4 -99.0-163.7 159.1 11.1 -4.6 62.4 53 63 A W E -Bc 45 308A 0 254,-2.7 256,-3.1 -2,-0.3 2,-0.4 -0.438 28.1-159.0 -73.5 155.9 10.1 -1.0 62.0 54 64 A I E -Bc 44 309A 0 -10,-2.5 -10,-2.3 254,-0.2 2,-0.5 -0.957 9.1-148.7-135.3 119.0 9.1 0.4 58.6 55 65 A A E -B 43 0A 0 254,-2.3 -12,-0.2 -2,-0.4 259,-0.1 -0.785 14.9-172.2 -81.2 129.4 9.2 4.2 58.0 56 66 A T + 0 0 0 -14,-2.8 2,-0.4 -2,-0.5 -13,-0.1 0.497 55.5 66.8-104.3 -7.6 6.4 4.7 55.4 57 67 A R S > S- 0 0 14 -15,-0.6 4,-2.5 1,-0.1 3,-0.4 -0.923 76.1-126.5-124.6 144.3 6.9 8.4 54.5 58 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.9 257,-0.3 5,-0.3 0.829 108.0 58.7 -50.4 -41.6 9.7 10.3 52.7 59 69 A Q H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 113.1 38.3 -58.6 -46.5 10.1 12.8 55.5 60 70 A L H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.862 114.5 53.9 -71.9 -39.9 10.9 10.1 58.0 61 71 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.956 113.1 43.5 -61.3 -49.1 13.0 8.0 55.5 62 72 A R H X S+ 0 0 45 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.928 112.8 52.4 -59.9 -47.8 15.2 11.0 54.7 63 73 A E H X S+ 0 0 70 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.908 111.1 46.7 -57.2 -45.1 15.5 12.0 58.4 64 74 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 7,-0.2 0.841 110.1 52.4 -68.1 -36.6 16.6 8.5 59.4 65 75 A Y H < S+ 0 0 7 -4,-1.9 279,-0.5 1,-0.2 -1,-0.2 0.794 110.5 49.5 -69.8 -28.2 19.2 8.2 56.6 66 76 A E H < S+ 0 0 108 -4,-1.8 2,-1.3 1,-0.2 -2,-0.2 0.806 100.5 68.6 -74.9 -31.1 20.7 11.6 57.6 67 77 A D >X + 0 0 39 -4,-1.3 4,-2.5 -5,-0.2 3,-0.7 -0.562 51.7 159.7 -98.9 73.3 21.0 10.6 61.2 68 78 A Y T 34 + 0 0 53 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.615 67.6 72.3 -69.5 -11.3 23.7 7.9 61.3 69 79 A R T 34 S+ 0 0 164 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.928 115.7 21.1 -69.0 -41.8 24.2 8.6 65.0 70 80 A H T <4 S+ 0 0 52 -3,-0.7 222,-2.0 1,-0.2 2,-0.7 0.768 127.6 52.2 -92.5 -31.6 20.9 6.9 65.9 71 81 A F E < S-D 291 0A 0 -4,-2.5 2,-0.3 -7,-0.2 220,-0.2 -0.869 76.8-165.5-117.3 98.5 20.4 4.9 62.7 72 82 A S E > -D 290 0A 5 218,-2.9 218,-2.2 -2,-0.7 3,-0.6 -0.601 24.5-149.7 -93.5 142.3 23.5 2.7 62.0 73 83 A S T 3 S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 20,-0.1 0.424 76.5 100.6 -83.4 -1.9 24.4 0.9 58.7 74 84 A E T 3 S+ 0 0 124 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.821 97.2 24.6 -53.9 -33.7 26.2 -1.8 60.7 75 85 A C S < S+ 0 0 3 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.732 77.7 154.8-134.0 81.0 23.2 -4.0 60.3 76 86 A P + 0 0 1 0, 0.0 212,-2.2 0, 0.0 2,-0.3 0.493 46.9 72.1 -96.5 -6.4 21.4 -2.8 57.1 77 87 A F S S- 0 0 17 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.833 75.3-109.2-111.3 150.1 19.4 -5.8 55.9 78 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.931 90.0 57.3-106.5 139.7 16.4 -7.7 57.1 79 89 A P S >> S- 0 0 27 0, 0.0 4,-2.2 0, 0.0 3,-0.9 0.527 88.4-123.1 -75.8 171.3 16.2 -10.4 58.4 80 90 A R H 3> S+ 0 0 82 -31,-0.3 4,-2.8 1,-0.3 5,-0.2 0.839 110.2 56.5 -51.7 -41.9 18.6 -9.9 61.4 81 91 A E H 3> S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.862 109.3 46.8 -60.4 -36.8 20.9 -12.8 60.3 82 92 A A H <> S+ 0 0 4 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.958 113.7 47.4 -68.7 -51.5 21.4 -11.2 56.9 83 93 A G H < S+ 0 0 0 -4,-2.2 -2,-0.2 -6,-0.6 -1,-0.2 0.854 112.8 49.5 -56.8 -39.6 22.1 -7.8 58.4 84 94 A E H < S+ 0 0 136 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.894 113.9 44.4 -70.7 -38.3 24.5 -9.3 60.9 85 95 A A H < S+ 0 0 20 -4,-2.0 2,-0.2 -5,-0.2 -2,-0.2 0.814 90.2 105.3 -71.3 -31.6 26.4 -11.2 58.2 86 96 A Y < + 0 0 12 -4,-2.5 -9,-0.1 1,-0.1 98,-0.0 -0.322 31.4 149.2 -57.0 114.3 26.4 -8.2 55.9 87 97 A D + 0 0 37 -2,-0.2 -1,-0.1 -12,-0.1 143,-0.1 0.140 16.9 144.7-136.0 20.3 29.9 -6.7 56.0 88 98 A F > - 0 0 3 145,-0.1 4,-2.4 1,-0.1 143,-0.2 -0.217 51.1 -92.8 -57.3 149.3 30.2 -5.1 52.5 89 99 A I T 4 S+ 0 0 0 141,-1.7 145,-0.2 1,-0.2 -1,-0.1 -0.960 97.8 5.0-115.2 137.2 32.2 -1.9 52.2 90 100 A P T >4 S+ 0 0 9 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.991 123.9 62.5 -85.8 -2.3 31.4 1.0 52.3 91 101 A T T 34 S+ 0 0 27 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.762 99.3 52.4 -66.1 -31.3 27.7 0.1 53.1 92 102 A S T 3< S+ 0 0 14 -4,-2.4 2,-0.3 -18,-0.1 -1,-0.3 0.427 100.6 83.5 -82.2 2.5 28.2 -1.7 56.5 93 103 A M < - 0 0 13 -3,-2.0 -6,-0.0 -5,-0.2 -5,-0.0 -0.818 64.2-149.3-109.0 147.9 30.2 1.3 57.8 94 104 A D > - 0 0 36 -2,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.733 42.7 -59.1 -99.4 157.1 29.1 4.6 59.3 95 105 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.439 114.3 37.8 -57.2 150.2 31.0 7.9 59.1 96 106 A P T >4 S+ 0 0 111 0, 0.0 3,-1.1 0, 0.0 4,-0.4 -0.938 127.6 37.4 -76.1 -27.3 33.7 8.8 59.9 97 107 A E T 34 S+ 0 0 111 -3,-0.3 4,-0.4 1,-0.2 3,-0.4 0.768 110.3 61.4 -55.9 -35.3 35.2 5.4 58.8 98 108 A Q T >X S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 4,-0.8 0.827 88.3 71.9 -63.9 -34.5 33.0 4.9 55.8 99 109 A R H X> S+ 0 0 126 -3,-1.1 3,-1.1 1,-0.3 4,-0.9 0.840 87.0 57.4 -62.5 -45.7 34.1 7.9 53.8 100 110 A Q H 3> S+ 0 0 38 -4,-0.4 4,-0.9 -3,-0.4 119,-0.4 0.793 103.7 57.0 -53.7 -30.8 37.6 7.0 52.7 101 111 A F H <> S+ 0 0 1 -3,-1.1 4,-2.3 -4,-0.4 -1,-0.3 0.796 94.5 65.1 -77.3 -26.0 36.3 3.9 51.0 102 112 A R H < S+ 0 0 1 -4,-0.9 3,-0.9 1,-0.2 4,-0.5 0.922 110.7 50.9 -69.4 -44.9 38.3 4.2 46.1 105 115 A A H >X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 3,-1.3 0.861 104.7 60.3 -58.7 -33.7 35.0 2.8 44.8 106 116 A N H 3X S+ 0 0 60 -4,-2.0 4,-1.5 1,-0.3 7,-0.4 0.765 92.8 65.2 -65.0 -26.2 34.7 6.0 42.7 107 117 A Q H << S+ 0 0 105 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.707 113.5 32.0 -66.5 -21.8 37.9 5.0 40.9 108 118 A V H <4 S+ 0 0 4 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.680 137.2 16.6-111.8 -25.0 36.1 2.0 39.5 109 119 A V H < S+ 0 0 11 -4,-1.9 243,-0.5 100,-0.1 -3,-0.2 0.396 99.0 105.5-127.7 3.1 32.4 3.0 39.1 110 120 A G S >X S- 0 0 0 -4,-1.5 4,-1.9 -5,-0.3 3,-1.0 -0.082 90.7 -76.4 -76.2 179.0 32.5 6.8 39.3 111 121 A M H 3> S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.798 125.9 58.9 -46.8 -41.9 32.1 9.3 36.5 112 122 A P H 3> S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.904 110.7 41.8 -60.1 -38.5 35.6 8.9 35.1 113 123 A V H <> S+ 0 0 6 -3,-1.0 4,-2.5 -7,-0.4 -2,-0.2 0.846 110.4 56.9 -74.9 -36.6 35.1 5.2 34.4 114 124 A V H X S+ 0 0 6 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.941 107.7 49.0 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-42.9 26.6 -3.4 23.3 125 135 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.937 113.3 45.9 -55.2 -49.8 23.1 -1.8 23.5 126 136 A C H X S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.913 114.1 49.0 -61.7 -42.3 23.1 -1.2 19.7 127 137 A S H X S+ 0 0 62 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.936 113.2 45.0 -63.9 -50.8 24.3 -4.8 19.0 128 138 A L H X S+ 0 0 20 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.918 117.0 45.4 -60.3 -44.1 21.8 -6.5 21.3 129 139 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.905 109.9 52.4 -71.6 -42.2 18.9 -4.4 20.0 130 140 A E H < S+ 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.889 108.7 52.4 -61.0 -36.7 19.7 -4.8 16.3 131 141 A S H < S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.858 115.2 40.7 -66.8 -35.2 19.9 -8.5 16.7 132 142 A L H >X S+ 0 0 12 -4,-1.4 3,-1.9 -5,-0.2 4,-0.6 0.817 96.7 83.1 -79.0 -32.6 16.4 -8.6 18.3 133 143 A R G >< S+ 0 0 39 -4,-2.6 3,-1.0 1,-0.3 -2,-0.1 0.823 90.0 44.7 -44.8 -54.1 14.9 -6.0 16.0 134 144 A P G 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.665 101.0 73.3 -71.5 -11.4 13.9 -8.3 13.0 135 145 A Q G <4 S- 0 0 105 -3,-1.9 -2,-0.2 -4,-0.2 -3,-0.1 0.741 86.5-143.1 -71.6 -30.2 12.5 -11.0 15.3 136 146 A G S << S+ 0 0 10 -3,-1.0 260,-2.2 -4,-0.6 2,-0.3 0.563 74.8 48.1 73.5 7.8 9.3 -9.1 16.3 137 147 A Q E +F 395 0B 120 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.977 56.3 172.9-166.0 159.9 9.6 -10.5 19.8 138 148 A C E -F 394 0B 5 256,-1.8 256,-2.5 -2,-0.3 2,-0.9 -0.965 39.7-118.5-163.1 160.2 11.9 -11.1 22.8 139 149 A N E > -F 393 0B 81 -2,-0.3 4,-3.0 254,-0.2 3,-0.4 -0.891 37.8-161.7 -96.7 95.7 12.1 -12.2 26.4 140 150 A F H >>S+ 0 0 0 252,-2.5 5,-2.6 -2,-0.9 4,-1.9 0.822 79.9 53.1 -57.7 -39.8 13.3 -8.9 27.6 141 151 A T H 4>S+ 0 0 12 1,-0.2 5,-2.0 3,-0.2 -1,-0.2 0.941 122.2 30.2 -62.9 -44.5 14.7 -10.0 31.0 142 152 A E H 45S+ 0 0 123 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.800 123.8 46.9 -79.9 -35.4 16.9 -12.7 29.5 143 153 A D H <5S- 0 0 48 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.674 136.5 -10.5 -87.1 -21.4 17.5 -11.1 26.1 144 154 A Y T X5S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -3,-0.2 0.508 119.9 64.8-142.7 -54.4 18.5 -7.6 27.2 145 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.849 107.7 59.0 -62.7 -34.2 23.1 -9.3 29.4 148 158 A F H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -3,-0.1 0.968 118.3 26.9 -63.4 -56.2 23.4 -5.5 28.7 149 159 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.907 124.5 50.4 -67.9 -40.7 24.4 -4.5 32.3 150 160 A I H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.912 107.9 50.1 -70.3 -43.0 26.0 -7.7 33.3 151 161 A R H X S+ 0 0 83 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.888 112.5 49.1 -64.0 -35.7 28.3 -8.1 30.3 152 162 A I H X S+ 0 0 4 -4,-1.1 4,-2.7 -5,-0.4 -1,-0.2 0.919 111.3 49.1 -67.7 -43.2 29.5 -4.6 30.8 153 163 A F H X S+ 0 0 13 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.931 110.8 50.2 -59.7 -46.4 30.2 -5.2 34.5 154 164 A M H X>S+ 0 0 1 -4,-2.8 5,-2.5 2,-0.2 4,-0.7 0.883 111.1 49.8 -59.5 -38.9 32.1 -8.4 33.7 155 165 A L H ><5S+ 0 0 73 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.956 111.9 47.3 -61.5 -51.7 34.2 -6.5 31.2 156 166 A L H 3<5S+ 0 0 18 -4,-2.7 53,-2.6 1,-0.2 -2,-0.2 0.872 116.4 44.4 -56.8 -40.9 34.9 -3.7 33.7 157 167 A A H 3<5S- 0 0 1 -4,-2.6 53,-0.3 51,-0.2 -1,-0.2 0.495 108.6-123.1 -87.1 -4.7 35.8 -6.3 36.4 158 168 A G T <<5 + 0 0 33 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.887 62.6 143.0 64.0 38.9 37.9 -8.4 34.1 159 169 A L < - 0 0 10 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.892 55.2-106.0-112.8 141.0 35.8 -11.5 34.8 160 170 A P > - 0 0 62 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.391 19.1-131.5 -70.1 141.9 34.8 -14.2 32.2 161 171 A E G > S+ 0 0 96 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.741 102.7 73.7 -60.9 -23.7 31.3 -14.2 31.0 162 172 A E G 3 S+ 0 0 159 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.693 90.2 60.4 -63.3 -18.3 31.1 -18.0 31.6 163 173 A D G <> S+ 0 0 51 -3,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.508 78.2 94.8 -85.8 -5.9 30.9 -17.1 35.4 164 174 A I H <> S+ 0 0 32 -3,-1.9 4,-3.1 1,-0.2 5,-0.4 0.923 79.3 51.2 -57.9 -51.1 27.7 -15.1 35.0 165 175 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.916 113.5 46.0 -57.0 -39.9 25.2 -17.8 35.9 166 176 A H H > S+ 0 0 100 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.958 117.2 42.1 -63.4 -52.0 27.1 -18.6 39.1 167 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.864 113.4 52.1 -65.4 -39.5 27.5 -15.0 40.2 168 178 A K H X S+ 0 0 18 -4,-3.1 4,-2.2 -5,-0.3 -1,-0.2 0.901 108.7 52.8 -65.4 -39.2 24.0 -14.0 39.3 169 179 A Y H X S+ 0 0 81 -4,-2.1 4,-1.3 -5,-0.4 -2,-0.2 0.963 111.8 44.5 -55.6 -54.3 22.7 -16.9 41.3 170 180 A L H X S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.896 112.7 50.1 -60.1 -44.3 24.6 -15.8 44.4 171 181 A T H >X S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 4,-0.7 0.882 108.1 54.0 -64.7 -37.2 23.7 -12.1 44.1 172 182 A D H 3X S+ 0 0 31 -4,-2.2 4,-2.9 1,-0.2 3,-0.4 0.797 102.4 58.5 -66.7 -27.6 20.0 -13.0 43.7 173 183 A Q H 3< S+ 0 0 8 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.742 104.2 51.8 -72.7 -22.0 20.2 -15.0 47.0 174 184 A M H << S+ 0 0 4 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.641 124.5 25.2 -86.0 -15.8 21.4 -11.9 48.8 175 185 A T H < S+ 0 0 3 -4,-0.7 210,-2.2 -3,-0.4 211,-0.4 0.722 140.7 13.9-117.8 -37.4 18.5 -9.7 47.5 176 186 A R S < S- 0 0 27 -4,-2.9 -2,-0.1 208,-0.2 208,-0.1 -0.501 82.2-159.3-139.9 62.7 15.6 -12.1 46.7 177 187 A P - 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.160 14.6-155.8 -53.8 135.2 16.6 -15.5 48.4 178 188 A D - 0 0 103 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.470 50.4-104.4 -86.3 -5.2 14.9 -18.6 47.0 179 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.166 100.8 99.5 103.7 -15.9 15.5 -20.4 50.3 180 190 A S S S+ 0 0 71 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.783 88.5 32.3 -71.6 -28.8 18.4 -22.6 49.2 181 191 A M S S- 0 0 53 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.993 74.0-132.9-132.5 138.5 21.0 -20.3 50.7 182 192 A T > - 0 0 74 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.393 38.3-106.7 -71.9 162.8 21.1 -18.0 53.7 183 193 A F H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.920 122.8 53.7 -54.3 -45.2 22.5 -14.5 53.1 184 194 A A H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 108.1 48.4 -61.3 -41.1 25.7 -15.6 55.0 185 195 A E H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 113.7 46.8 -65.5 -41.6 26.1 -18.7 52.8 186 196 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 112.8 49.2 -67.1 -42.8 25.7 -16.6 49.6 187 197 A K H X S+ 0 0 15 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.929 111.4 49.3 -59.3 -47.8 28.1 -13.9 50.8 188 198 A E H X S+ 0 0 99 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.837 109.4 52.2 -65.4 -31.4 30.7 -16.4 51.7 189 199 A A H X S+ 0 0 22 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.889 109.5 49.6 -70.0 -38.7 30.4 -18.1 48.3 190 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 112.4 47.4 -61.8 -44.9 30.9 -14.7 46.7 191 201 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.874 107.1 57.4 -63.0 -37.1 34.0 -14.1 48.8 192 202 A D H < S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 108.5 47.2 -60.2 -38.9 35.2 -17.7 48.0 193 203 A Y H X S+ 0 0 32 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.924 116.9 43.4 -64.3 -46.8 35.1 -16.7 44.3 194 204 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.795 94.6 76.4 -75.7 -34.0 36.9 -13.4 44.9 195 205 A I H X S+ 0 0 93 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.900 100.1 39.6 -48.9 -54.5 39.7 -14.4 47.3 196 206 A P H > S+ 0 0 81 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.875 115.9 52.7 -65.9 -34.9 42.0 -16.1 44.7 197 207 A I H X S+ 0 0 31 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.916 108.9 49.4 -65.8 -42.6 41.3 -13.4 42.1 198 208 A I H X S+ 0 0 4 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.920 111.5 48.9 -64.4 -41.9 42.2 -10.6 44.6 199 209 A E H X S+ 0 0 94 -4,-2.1 4,-1.8 -5,-0.3 3,-0.3 0.935 111.1 50.7 -61.3 -45.5 45.4 -12.3 45.5 200 210 A Q H X S+ 0 0 89 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.895 111.9 47.0 -56.2 -43.8 46.3 -12.8 41.8 201 211 A R H < S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.675 107.5 54.6 -85.4 -14.7 45.7 -9.1 41.0 202 212 A R H < S+ 0 0 83 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.808 114.1 43.4 -77.1 -32.7 47.6 -7.8 44.0 203 213 A Q H < S+ 0 0 141 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.909 131.6 22.4 -73.1 -44.7 50.6 -9.9 42.7 204 214 A K S < S- 0 0 140 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.760 87.1-153.1-126.0 82.0 50.1 -8.9 39.1 205 215 A P + 0 0 87 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.293 20.2 173.1 -61.2 136.9 48.1 -5.6 38.9 206 216 A G - 0 0 38 -5,-0.2 -5,-0.0 2,-0.2 0, 0.0 -0.328 44.3 -91.3-121.1-153.5 46.1 -5.0 35.8 207 217 A T S S+ 0 0 129 -2,-0.1 -49,-0.1 4,-0.1 5,-0.0 0.532 83.2 106.1-103.5 -14.6 43.5 -2.5 34.5 208 218 A D S > S- 0 0 23 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.186 82.5-105.6 -73.2 165.9 40.3 -4.1 35.7 209 219 A A H > S+ 0 0 5 -53,-2.6 4,-2.5 1,-0.2 5,-0.2 0.830 118.5 52.9 -63.1 -35.8 38.1 -2.9 38.6 210 220 A I H > S+ 0 0 7 -53,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.932 109.9 49.0 -66.6 -44.2 39.2 -5.7 40.9 211 221 A S H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.943 111.2 50.4 -54.5 -49.4 42.8 -4.9 40.3 212 222 A I H < S+ 0 0 56 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.921 115.2 41.5 -62.4 -45.2 42.2 -1.2 41.0 213 223 A V H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.952 114.7 51.5 -62.7 -48.9 40.3 -1.9 44.3 214 224 A A H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.760 118.5 36.3 -66.3 -26.3 42.8 -4.5 45.4 215 225 A N T 3< S+ 0 0 69 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.246 99.8 115.3-105.3 9.9 45.8 -2.3 44.8 216 226 A G < - 0 0 9 -3,-1.6 7,-2.3 -4,-0.2 2,-0.3 -0.122 57.1-129.7 -81.7 174.1 44.2 0.9 45.9 217 227 A Q E -H 222 0C 122 5,-0.2 2,-0.4 -117,-0.1 -1,-0.1 -0.908 6.7-153.4-120.7 149.1 44.7 3.3 48.8 218 228 A V E > S-H 221 0C 1 3,-2.8 3,-1.6 -2,-0.3 -117,-0.1 -0.994 82.2 -21.0-125.2 122.8 42.2 4.7 51.2 219 229 A N T 3 S- 0 0 136 -2,-0.4 -1,-0.1 -119,-0.4 -118,-0.1 0.883 130.5 -49.2 36.6 49.0 43.1 8.1 52.7 220 230 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.490 119.1 95.5 84.2 6.7 46.7 7.5 51.8 221 231 A R E < S-H 218 0C 83 -3,-1.6 -3,-2.8 1,-0.0 -1,-0.2 -0.918 81.0 -88.8-127.0 155.3 47.3 4.0 53.2 222 232 A P E -H 217 0C 100 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.316 37.3-120.7 -66.6 140.4 47.1 0.6 51.5 223 233 A I - 0 0 4 -7,-2.3 2,-0.2 -10,-0.2 3,-0.0 -0.507 30.3-123.0 -70.6 144.3 43.8 -1.2 51.3 224 234 A T > - 0 0 61 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.526 18.5-114.2 -83.5 160.1 43.9 -4.7 53.0 225 235 A S H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.881 119.4 51.2 -57.1 -40.9 43.0 -7.9 51.2 226 236 A D H 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L H ><5S+ 0 0 80 -4,-2.1 3,-0.7 -5,-0.2 -2,-0.2 0.946 111.7 48.0 -61.6 -50.1 2.5 23.7 16.1 562 166 B L H 3<5S+ 0 0 21 -4,-2.7 53,-2.8 1,-0.2 -2,-0.2 0.887 116.9 42.4 -55.9 -44.1 1.4 26.4 13.7 563 167 B A H 3<5S- 0 0 1 -4,-2.6 53,-0.4 51,-0.2 -1,-0.2 0.510 107.7-123.8 -84.1 -8.1 -0.2 23.9 11.3 564 168 B G T <<5 + 0 0 35 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.867 61.9 143.6 63.9 38.8 -1.8 21.8 14.2 565 169 B L < - 0 0 10 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.1 -0.866 56.1-103.4-110.5 144.5 0.0 18.6 13.0 566 170 B P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.422 21.1-133.1 -72.1 138.4 1.4 15.9 15.2 567 171 B E G > S+ 0 0 29 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.758 101.4 70.6 -59.3 -27.6 5.2 15.9 15.7 568 172 B E G 3 S+ 0 0 98 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.675 90.4 63.0 -67.0 -11.2 5.4 12.2 15.1 569 173 B D G <> S+ 0 0 43 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.537 78.3 92.5 -85.4 -6.5 4.6 12.9 11.4 570 174 B I H <> S+ 0 0 29 -3,-1.9 4,-3.3 1,-0.2 5,-0.4 0.914 77.8 54.9 -58.4 -49.0 7.8 14.9 11.0 571 175 B P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.924 112.8 42.9 -55.3 -41.3 10.0 12.1 9.7 572 176 B H H > S+ 0 0 98 -4,-0.3 4,-2.1 -3,-0.2 -2,-0.2 0.957 117.7 44.5 -67.3 -48.0 7.6 11.2 6.9 573 177 B L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.898 113.1 51.4 -65.1 -41.2 6.9 14.8 5.9 574 178 B K H X S+ 0 0 16 -4,-3.3 4,-2.5 -5,-0.2 -1,-0.2 0.901 108.4 51.7 -61.5 -42.2 10.6 15.8 6.1 575 179 B Y H X S+ 0 0 82 -4,-2.0 4,-1.3 -5,-0.4 -2,-0.2 0.950 112.3 46.1 -57.9 -47.0 11.5 12.9 3.9 576 180 B L H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 3,-0.4 0.917 111.7 50.7 -62.0 -46.6 8.9 14.0 1.3 577 181 B T H >X S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 4,-0.9 0.939 107.7 53.8 -56.0 -49.3 9.9 17.7 1.4 578 182 B D H 3X S+ 0 0 37 -4,-2.5 4,-3.0 1,-0.3 3,-0.4 0.791 101.9 58.7 -60.4 -29.1 13.5 16.7 0.9 579 183 B Q H 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.735 104.2 52.0 -72.7 -20.0 12.7 14.8 -2.3 580 184 B M H << S+ 0 0 5 -3,-1.7 -1,-0.2 -4,-0.8 -2,-0.2 0.707 124.0 25.8 -85.5 -20.8 11.2 17.9 -3.8 581 185 B T H < S+ 0 0 3 -4,-0.9 210,-2.1 -3,-0.4 211,-0.4 0.750 139.9 13.7-113.6 -40.0 14.3 20.0 -3.2 582 186 B R S < S- 0 0 28 -4,-3.0 -2,-0.2 208,-0.2 -1,-0.1 -0.555 81.4-158.5-137.5 70.8 17.3 17.6 -3.0 583 187 B P - 0 0 59 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.242 15.4-160.7 -61.4 134.6 16.0 14.2 -4.4 584 188 B D - 0 0 104 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.553 52.5-104.0 -84.1 -12.8 18.0 11.1 -3.4 585 189 B G S S+ 0 0 67 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.192 100.2 102.6 108.8 -14.0 16.5 9.3 -6.4 586 190 B S S S+ 0 0 65 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.772 89.9 27.4 -68.4 -27.8 13.9 7.2 -4.5 587 191 B M S S- 0 0 48 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.998 72.0-135.0-136.9 140.3 11.1 9.5 -5.6 588 192 B T > - 0 0 78 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.418 39.6-105.3 -75.2 165.9 10.4 11.8 -8.5 589 193 B F H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.936 123.4 53.5 -55.9 -45.7 9.0 15.3 -7.6 590 194 B A H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.886 108.6 48.6 -59.6 -41.8 5.6 14.1 -8.9 591 195 B E H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 112.8 47.5 -65.0 -42.3 5.7 11.1 -6.6 592 196 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 112.8 48.8 -64.8 -42.0 6.7 13.2 -3.5 593 197 B K H X S+ 0 0 33 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.932 109.4 52.9 -64.4 -44.6 4.0 15.8 -4.3 594 198 B E H X S+ 0 0 139 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.915 110.9 47.8 -54.4 -46.5 1.4 13.0 -4.7 595 199 B A H X S+ 0 0 22 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.868 110.4 50.0 -66.1 -36.7 2.4 11.7 -1.2 596 200 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.920 112.8 47.6 -67.4 -40.7 2.3 15.1 0.4 597 201 B Y H X S+ 0 0 16 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.902 107.7 55.6 -66.6 -40.6 -1.2 15.6 -1.0 598 202 B D H < S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.890 109.1 48.4 -58.4 -39.2 -2.3 12.2 0.1 599 203 B Y H X S+ 0 0 32 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.920 116.4 42.6 -61.7 -45.7 -1.3 13.2 3.6 600 204 B L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.4 0.811 94.4 78.7 -77.2 -32.5 -3.1 16.5 3.4 601 205 B I H X S+ 0 0 88 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.888 99.5 38.2 -48.5 -55.9 -6.4 15.4 1.8 602 206 B P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.838 116.5 52.7 -67.9 -28.2 -8.1 13.9 4.8 603 207 B I H X S+ 0 0 24 -4,-0.6 4,-2.1 -3,-0.4 -2,-0.2 0.908 109.3 48.9 -73.8 -41.5 -6.8 16.6 7.2 604 208 B I H X S+ 0 0 4 -4,-2.9 4,-1.5 2,-0.2 5,-0.2 0.938 111.8 49.3 -61.5 -46.3 -8.1 19.3 4.9 605 209 B E H X S+ 0 0 94 -4,-2.3 4,-1.5 -5,-0.3 3,-0.4 0.926 110.8 50.6 -58.1 -45.4 -11.6 17.6 4.7 606 210 B Q H X S+ 0 0 135 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 111.8 47.0 -58.9 -41.4 -11.6 17.3 8.5 607 211 B R H < S+ 0 0 41 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.667 107.6 55.5 -83.2 -15.0 -10.8 20.9 9.1 608 212 B R H < S+ 0 0 80 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.769 114.0 41.9 -79.4 -28.4 -13.4 22.1 6.6 609 213 B Q H < S+ 0 0 141 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.856 132.7 22.4 -81.2 -39.9 -16.1 20.2 8.5 610 214 B K S < S- 0 0 170 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.722 86.8-150.1-131.0 80.4 -14.8 21.2 11.9 611 215 B P - 0 0 85 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.276 15.5-176.0 -60.1 125.6 -12.7 24.4 11.6 612 216 B G - 0 0 39 -5,-0.2 -48,-0.0 2,-0.1 0, 0.0 -0.188 37.7-109.4 -93.3-161.2 -9.9 24.9 14.1 613 217 B T S S+ 0 0 137 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.323 79.4 113.4-114.9 4.0 -7.7 28.0 14.4 614 218 B D S > S- 0 0 29 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.224 84.7 -98.0 -70.1 164.8 -4.5 26.3 13.1 615 219 B A H > S+ 0 0 7 -53,-2.8 4,-2.2 1,-0.2 5,-0.2 0.831 122.2 51.6 -55.7 -39.9 -2.9 27.3 9.8 616 220 B I H > S+ 0 0 6 -53,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.929 110.3 48.5 -67.7 -43.1 -4.5 24.4 7.8 617 221 B S H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.909 110.8 52.1 -58.8 -42.4 -8.0 25.3 9.1 618 222 B I H < S+ 0 0 68 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.914 115.4 40.0 -63.3 -43.8 -7.4 29.0 8.2 619 223 B V H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.950 115.5 50.7 -66.1 -50.1 -6.3 28.1 4.6 620 224 B A H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.745 118.9 36.5 -69.2 -23.5 -9.0 25.5 4.1 621 225 B N T 3< S+ 0 0 68 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.212 99.3 121.3-106.1 12.5 -11.8 27.7 5.2 622 226 B G < - 0 0 10 -3,-1.8 7,-2.3 8,-0.1 2,-0.3 -0.085 55.4-132.4 -77.1 170.1 -10.3 30.8 3.7 623 227 B Q E -S 628 0I 126 5,-0.2 2,-0.5 -117,-0.1 -1,-0.1 -0.917 6.8-152.5-116.9 149.5 -11.6 33.2 1.1 624 228 B V E > S-S 627 0I 1 3,-2.9 3,-2.0 -2,-0.3 -117,-0.1 -0.983 83.9 -20.9-122.1 119.0 -9.8 34.5 -1.9 625 229 B N T 3 S- 0 0 145 -2,-0.5 -1,-0.1 -119,-0.3 -118,-0.1 0.898 131.1 -51.5 46.6 42.6 -11.0 38.0 -3.1 626 230 B G T 3 S+ 0 0 57 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.452 117.5 105.0 79.6 3.3 -14.2 37.2 -1.2 627 231 B R E < S-S 624 0I 91 -3,-2.0 -3,-2.9 1,-0.0 -1,-0.2 -0.872 78.3 -93.1-113.2 151.7 -15.0 33.8 -2.6 628 232 B P E -S 623 0I 99 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.327 37.3-120.5 -63.0 137.9 -14.6 30.4 -0.8 629 233 B I - 0 0 4 -7,-2.3 2,-0.1 -10,-0.2 -6,-0.0 -0.499 28.8-125.2 -71.3 145.9 -11.4 28.5 -1.4 630 234 B T > - 0 0 61 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.475 19.6-111.4 -86.3 164.0 -11.8 25.0 -2.9 631 235 B S H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.892 119.9 50.3 -58.5 -42.5 -10.4 21.7 -1.4 632 236 B D H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 110.9 48.2 -66.3 -44.5 -7.9 21.4 -4.3 633 237 B E H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.919 109.6 53.2 -59.3 -45.7 -6.7 25.0 -3.8 634 238 B A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.897 109.2 49.2 -56.1 -41.5 -6.3 24.5 -0.1 635 239 B K H X S+ 0 0 35 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.908 109.4 50.8 -66.2 -42.7 -4.2 21.4 -0.7 636 240 B R H X S+ 0 0 62 -4,-2.0 -141,-1.8 1,-0.2 4,-0.8 0.758 115.6 43.4 -69.6 -27.5 -1.9 23.2 -3.1 637 241 B M H X S+ 0 0 1 -4,-1.8 4,-2.1 -143,-0.2 -2,-0.2 0.886 113.6 48.9 -79.8 -47.1 -1.4 26.1 -0.6 638 242 B C H X S+ 0 0 5 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.866 107.6 56.2 -62.4 -37.1 -0.9 23.9 2.4 639 243 B G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.925 107.8 48.5 -58.9 -44.1 1.6 21.8 0.6 640 244 B L H X S+ 0 0 31 -4,-0.8 4,-2.6 -145,-0.2 -2,-0.2 0.903 109.2 51.9 -64.5 -42.9 3.7 24.8 -0.2 641 245 B L H X S+ 0 0 27 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.898 108.4 52.7 -61.9 -39.4 3.5 26.0 3.4 642 246 B L H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.918 109.4 48.0 -58.8 -47.5 4.8 22.6 4.6 643 247 B V H X S+ 0 0 20 -4,-2.1 4,-1.5 1,-0.2 3,-0.2 0.932 113.3 47.8 -61.7 -46.5 7.7 22.7 2.2 644 248 B G H < S+ 0 0 29 -4,-2.6 5,-0.5 1,-0.2 4,-0.5 0.908 114.3 47.3 -59.2 -42.5 8.6 26.3 3.4 645 249 B G H < S+ 0 0 15 -4,-2.5 -86,-0.2 -5,-0.2 -1,-0.2 0.773 119.3 37.8 -70.9 -27.6 8.3 25.3 7.0 646 250 B L H < S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.526 123.3 30.5-105.4 -8.6 10.4 22.1 6.8 647 251 B D S < S+ 0 0 0 -4,-1.5 -2,-0.1 -3,-0.2 -1,-0.1 0.066 105.9 56.5-146.6 33.4 13.2 22.9 4.4 648 252 B T S >> S+ 0 0 51 -4,-0.5 4,-2.3 -3,-0.1 3,-0.8 0.517 111.6 26.4-122.4 -77.7 14.3 26.5 4.4 649 253 B V H 3> S+ 0 0 9 -5,-0.5 4,-2.9 1,-0.2 5,-0.3 0.871 115.3 67.2 -55.3 -38.3 15.4 27.8 7.8 650 254 B V H 3> S+ 0 0 5 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.888 109.9 35.0 -50.1 -43.1 16.3 24.2 8.8 651 255 B N H <> S+ 0 0 8 -3,-0.8 4,-1.4 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