==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-AUG-00 1FMJ . COMPND 2 MOLECULE: RETINOL DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPODOPTERA FRUGIPERDA; . AUTHOR S.PAKHOMOVA,M.KOBAYASHI,J.BUCK,M.E.NEWCOMER . 684 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 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 . 31 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 3 1 3 1 4 2 4 2 0 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 8 A P 0 0 142 0, 0.0 46,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.6 7.2 -25.8 23.6 2 9 A F - 0 0 57 1,-0.2 45,-0.1 2,-0.0 160,-0.0 -0.368 360.0-170.1 -58.6 110.6 9.6 -22.8 23.7 3 10 A P + 0 0 79 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.261 50.1 99.2 -87.6 11.3 9.4 -21.5 20.1 4 11 A Y - 0 0 52 28,-0.1 2,-0.3 158,-0.0 -2,-0.0 -0.827 49.1-166.0-110.6 141.2 12.3 -19.0 20.5 5 12 A E - 0 0 171 -2,-0.4 27,-2.1 2,-0.0 2,-0.3 -0.789 14.9-146.2-111.2 158.2 15.9 -19.2 19.5 6 13 A F E -A 31 0A 90 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.854 8.1-159.4-123.8 160.2 18.6 -16.8 20.7 7 14 A R E -A 30 0A 112 23,-1.7 23,-2.9 -2,-0.3 3,-0.1 -0.983 22.6-111.8-140.1 151.7 21.7 -15.4 19.1 8 15 A E - 0 0 100 -2,-0.3 2,-0.2 21,-0.2 21,-0.1 -0.288 49.2 -90.5 -72.1 164.9 24.9 -13.8 20.3 9 16 A L - 0 0 20 19,-0.3 -1,-0.1 1,-0.1 19,-0.0 -0.566 44.1-119.8 -77.0 142.1 25.4 -10.1 19.6 10 17 A N > - 0 0 61 -2,-0.2 4,-3.1 -3,-0.1 5,-0.3 -0.208 37.0 -90.2 -73.4 174.6 27.2 -9.5 16.3 11 18 A P H > S+ 0 0 112 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.930 126.2 48.5 -52.1 -49.9 30.5 -7.6 16.3 12 19 A E H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.911 116.7 41.5 -58.0 -47.5 28.9 -4.2 16.0 13 20 A E H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.961 114.3 51.1 -65.7 -52.2 26.3 -4.7 18.7 14 21 A D H X S+ 0 0 59 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.829 107.8 56.8 -55.3 -31.0 28.8 -6.4 21.0 15 22 A K H < S+ 0 0 94 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.943 107.9 43.6 -68.2 -46.6 31.1 -3.5 20.5 16 23 A L H < S+ 0 0 40 -4,-1.7 3,-0.4 -3,-0.2 -2,-0.2 0.832 119.3 44.3 -67.4 -33.8 28.6 -0.8 21.7 17 24 A V H >X>S+ 0 0 3 -4,-2.3 4,-3.5 1,-0.2 3,-2.8 0.963 109.0 53.3 -74.8 -53.0 27.6 -2.9 24.6 18 25 A K T 3<5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.421 105.6 60.3 -62.5 4.2 31.1 -4.0 25.7 19 26 A A T 345S+ 0 0 50 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.2 0.412 120.6 19.5-110.1 -4.1 31.9 -0.3 25.7 20 27 A N T <45S+ 0 0 5 -3,-2.8 178,-2.8 -4,-0.1 -2,-0.2 0.534 140.6 24.7-133.1 -31.2 29.3 0.6 28.3 21 28 A L T ><5S+ 0 0 11 -4,-3.5 3,-0.9 176,-0.2 -3,-0.2 0.302 87.1 109.8-120.6 3.9 28.5 -2.6 30.1 22 29 A G T 3 -AB 6 36A 0 5,-1.3 5,-2.4 -2,-0.3 3,-0.3 -0.965 44.8 -13.5-126.6 127.6 15.9 -13.6 22.3 32 39 A G T > 5S- 0 0 17 -27,-2.1 3,-1.9 -2,-0.5 -25,-0.1 0.009 97.8 -56.4 78.9 171.0 13.1 -14.3 19.9 33 40 A P T 3 5S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.722 138.9 52.9 -59.2 -21.8 12.3 -12.8 16.4 34 41 A K T 3 5S- 0 0 80 -3,-0.3 -2,-0.2 2,-0.0 188,-0.1 0.542 107.2-130.0 -90.6 -8.3 12.2 -9.4 18.1 35 42 A G T < 5 - 0 0 8 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.934 27.1-163.4 61.1 49.6 15.6 -9.9 19.7 36 43 A Y E < -B 31 0A 2 -5,-2.4 -5,-1.3 -6,-0.1 2,-0.7 -0.478 23.5-118.0 -66.8 128.5 14.8 -9.0 23.2 37 44 A M E +B 30 0A 0 181,-2.8 180,-3.0 178,-0.4 2,-0.4 -0.574 44.8 171.3 -70.5 111.1 17.9 -8.2 25.2 38 45 A V E -B 29 0A 0 -9,-2.1 -9,-1.3 -2,-0.7 2,-0.1 -0.971 39.9-107.9-127.1 141.0 18.1 -10.8 28.0 39 46 A Y E > -B 28 0A 7 -2,-0.4 3,-2.9 -11,-0.2 4,-0.3 -0.443 38.7-116.4 -61.4 133.8 20.9 -11.6 30.4 40 47 A R G > S+ 0 0 86 -13,-3.4 3,-1.8 1,-0.3 4,-0.3 0.820 111.3 66.4 -41.6 -47.7 22.4 -14.9 29.4 41 48 A P G > S+ 0 0 10 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.635 85.7 77.0 -53.9 -11.3 21.4 -16.7 32.6 42 49 A Y G X> S+ 0 0 0 -3,-2.9 3,-2.4 61,-0.2 4,-0.8 0.901 78.2 69.9 -66.5 -39.1 17.8 -16.2 31.5 43 50 A L G <4 S+ 0 0 47 -3,-1.8 4,-0.4 -4,-0.3 -1,-0.2 0.681 86.7 65.1 -53.5 -24.4 18.0 -19.0 29.0 44 51 A K G <4 S+ 0 0 104 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.692 117.3 26.2 -74.9 -14.6 18.1 -21.7 31.7 45 52 A D T <> S+ 0 0 1 -3,-2.4 4,-2.3 -4,-0.3 5,-0.2 0.347 90.9 101.8-127.8 4.7 14.6 -20.7 32.8 46 53 A A H X S+ 0 0 2 -4,-0.8 4,-1.6 1,-0.2 5,-0.1 0.910 86.1 44.5 -58.4 -47.6 13.0 -19.3 29.7 47 54 A A H > S+ 0 0 42 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.913 112.8 52.0 -64.5 -43.3 11.0 -22.4 28.8 48 55 A N H 4 S+ 0 0 93 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.896 110.9 47.5 -59.9 -41.5 9.8 -22.9 32.4 49 56 A I H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.826 108.2 55.4 -70.0 -30.0 8.6 -19.3 32.5 50 57 A Y H 3< S+ 0 0 37 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.801 119.5 33.5 -71.0 -27.3 6.9 -19.7 29.2 51 58 A N T 3< S+ 0 0 90 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.242 84.1 147.6-111.8 11.8 5.0 -22.7 30.7 52 59 A M < - 0 0 10 -3,-0.5 2,-0.1 -4,-0.2 -3,-0.1 -0.205 53.7-115.5 -53.7 126.7 4.7 -21.4 34.3 53 60 A P - 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.458 36.6-154.3 -64.6 134.2 1.5 -22.7 35.9 54 61 A L - 0 0 36 -2,-0.1 117,-0.0 -3,-0.1 113,-0.0 -0.801 6.9-148.5-114.2 156.7 -0.8 -19.8 36.7 55 62 A R > - 0 0 54 -2,-0.3 3,-2.0 97,-0.1 97,-0.0 -0.922 24.3-122.0-124.0 146.6 -3.5 -19.2 39.3 56 63 A P T 3 S+ 0 0 104 0, 0.0 116,-0.1 0, 0.0 -1,-0.1 0.694 112.7 53.4 -58.8 -21.8 -6.7 -17.1 39.2 57 64 A T T 3 S+ 0 0 66 114,-0.1 2,-0.1 93,-0.1 114,-0.1 0.427 82.5 116.7 -94.9 1.4 -5.6 -15.1 42.2 58 65 A D < - 0 0 1 -3,-2.0 114,-1.7 112,-0.1 2,-0.4 -0.425 46.5-165.3 -68.3 142.5 -2.3 -14.2 40.8 59 66 A V E -cd 153 172B 2 93,-2.2 95,-2.6 112,-0.2 2,-0.4 -0.991 3.3-160.9-132.8 125.3 -1.7 -10.5 40.2 60 67 A F E -cd 154 173B 0 112,-2.9 114,-2.4 -2,-0.4 2,-0.5 -0.848 13.2-163.7-110.0 142.5 1.2 -9.2 38.0 61 68 A V E +cd 155 174B 0 93,-2.9 95,-2.3 -2,-0.4 2,-0.3 -0.985 28.0 171.6-120.3 113.6 2.8 -5.8 37.9 62 69 A A E +cd 156 175B 0 112,-2.3 114,-2.2 -2,-0.5 2,-0.3 -0.841 8.0 132.6-123.9 161.0 4.7 -5.6 34.6 63 70 A S E - d 0 176B 0 93,-1.1 2,-0.4 -2,-0.3 114,-0.1 -0.944 60.7 -81.5 173.3 167.3 6.5 -2.9 32.8 64 71 A Y S > S- 0 0 1 112,-0.8 3,-0.6 -2,-0.3 5,-0.2 -0.782 77.7 -83.6 -83.9 139.4 9.7 -1.9 31.0 65 72 A Q T 3 S+ 0 0 18 -2,-0.4 122,-0.1 1,-0.2 -1,-0.1 -0.012 110.7 22.8 -50.8 146.8 12.0 -1.0 33.9 66 73 A R T 3 S+ 0 0 33 120,-0.1 -1,-0.2 -3,-0.1 120,-0.1 0.732 87.8 114.3 70.5 27.8 11.9 2.4 35.6 67 74 A S S < S- 0 0 0 -3,-0.6 174,-0.2 109,-0.1 110,-0.1 0.298 100.8 -72.0-108.1 6.1 8.4 3.1 34.4 68 75 A G S > S+ 0 0 11 108,-0.1 4,-1.7 172,-0.1 5,-0.2 0.649 82.7 139.7 112.2 22.6 6.6 3.2 37.7 69 76 A T H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.911 70.1 53.8 -64.0 -45.2 6.6 -0.4 38.9 70 77 A T H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 109.3 47.5 -58.3 -47.8 7.3 0.2 42.6 71 78 A M H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.950 114.1 47.8 -55.6 -53.8 4.5 2.7 43.0 72 79 A T H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 5,-0.3 0.886 108.1 55.1 -56.4 -43.7 2.1 0.4 41.3 73 80 A Q H X S+ 0 0 4 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.908 110.8 45.5 -58.1 -42.5 3.3 -2.6 43.4 74 81 A E H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.934 114.5 46.7 -67.2 -47.5 2.5 -0.7 46.6 75 82 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.956 114.7 47.7 -57.8 -52.6 -0.9 0.5 45.4 76 83 A V H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.841 112.6 48.7 -58.6 -38.1 -1.8 -2.9 44.2 77 84 A W H X S+ 0 0 30 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.939 112.9 45.6 -71.3 -45.7 -0.7 -4.6 47.4 78 85 A L H <>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 6,-0.4 0.906 114.0 49.6 -63.0 -41.4 -2.5 -2.3 49.7 79 86 A I H ><5S+ 0 0 4 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.2 0.865 112.5 46.2 -66.1 -38.4 -5.7 -2.4 47.7 80 87 A E H 3<5S+ 0 0 22 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.695 115.0 51.1 -76.8 -18.3 -5.7 -6.2 47.5 81 88 A N T ><5S- 0 0 55 -4,-1.3 3,-1.0 -5,-0.1 -1,-0.2 -0.100 119.2 -98.2-113.7 37.5 -5.0 -6.3 51.3 82 89 A D T < 5S- 0 0 144 -3,-0.8 -3,-0.2 1,-0.2 3,-0.2 0.844 71.0 -70.7 55.2 40.3 -7.6 -4.0 52.8 83 90 A L T 3 + 0 0 76 -3,-1.0 4,-1.5 -6,-0.4 -1,-0.2 -0.670 5.0 171.9 -87.3 83.2 -3.4 -2.7 55.8 85 92 A F T 4 S+ 0 0 30 -2,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.875 73.0 62.2 -61.7 -37.4 -0.5 -0.2 55.9 86 93 A E T >4 S+ 0 0 126 1,-0.3 3,-1.2 -3,-0.2 -1,-0.2 0.921 107.6 42.7 -54.4 -46.7 0.9 -1.8 59.0 87 94 A A G >4 S+ 0 0 38 1,-0.3 3,-1.5 -3,-0.2 -1,-0.3 0.793 102.6 69.0 -70.4 -28.6 1.4 -5.1 57.1 88 95 A A G 3< S+ 0 0 3 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.462 77.2 86.0 -69.9 1.4 2.7 -3.2 54.1 89 96 A K G < + 0 0 127 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.1 0.613 66.1 99.1 -78.7 -10.5 5.8 -2.3 56.3 90 97 A T S < S- 0 0 70 -3,-1.5 5,-0.1 1,-0.1 195,-0.0 -0.425 96.2 -77.9 -72.8 154.0 7.4 -5.6 55.3 91 98 A Y >> - 0 0 106 1,-0.2 3,-2.8 2,-0.1 4,-1.1 -0.276 32.3-134.7 -55.9 129.9 10.0 -5.3 52.5 92 99 A M H >> S+ 0 0 13 193,-2.8 4,-1.8 1,-0.3 3,-0.8 0.875 107.4 64.5 -51.9 -38.5 8.4 -5.0 49.0 93 100 A S H 34 S+ 0 0 40 192,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.647 104.7 45.8 -62.8 -13.6 11.0 -7.6 47.9 94 101 A L H <4 S+ 0 0 117 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.623 110.3 52.0-100.7 -19.6 9.2 -10.1 50.3 95 102 A R H << S+ 0 0 22 -4,-1.1 58,-0.4 -3,-0.8 2,-0.3 0.708 114.9 41.9 -88.8 -20.0 5.7 -9.2 49.2 96 103 A Y S < S- 0 0 8 -4,-1.8 2,-0.5 -5,-0.2 58,-0.2 -0.941 74.3-134.5-127.5 147.1 6.4 -9.7 45.5 97 104 A I E -e 154 0B 22 56,-2.4 58,-2.9 -2,-0.3 2,-1.2 -0.892 20.2-139.1 -99.7 128.0 8.4 -12.3 43.6 98 105 A Y E > -e 155 0B 79 -2,-0.5 3,-1.0 -5,-0.2 4,-0.5 -0.784 17.1-164.8 -89.4 97.3 10.6 -10.7 41.0 99 106 A L T 3 S+ 0 0 0 56,-2.2 40,-0.3 -2,-1.2 3,-0.3 0.887 84.2 27.8 -50.7 -51.1 10.1 -13.2 38.2 100 107 A D T 3 S+ 0 0 2 55,-0.4 3,-0.5 1,-0.2 4,-0.3 0.284 91.1 102.2 -99.6 11.9 13.1 -12.0 36.0 101 108 A G S X S+ 0 0 14 -3,-1.0 3,-1.3 54,-0.2 4,-0.2 0.888 72.9 62.5 -61.1 -39.4 15.3 -10.8 38.8 102 109 A F G > S+ 0 0 7 -4,-0.5 3,-2.6 -3,-0.3 -1,-0.2 0.852 84.6 76.6 -55.5 -38.9 17.5 -13.8 38.8 103 110 A M G 3 S+ 0 0 7 -3,-0.5 -61,-0.2 1,-0.3 -1,-0.2 0.682 80.8 67.4 -50.8 -24.3 18.8 -13.4 35.3 104 111 A I G < S+ 0 0 51 -3,-1.3 2,-0.5 -4,-0.3 -78,-0.3 0.660 93.8 74.2 -73.8 -10.4 21.2 -10.6 36.1 105 112 A Y < - 0 0 10 -3,-2.6 3,-0.1 30,-0.3 5,-0.1 -0.888 59.0-169.0-111.0 131.9 23.3 -13.1 38.1 106 113 A D > - 0 0 19 -2,-0.5 3,-2.9 1,-0.1 30,-0.1 -0.901 8.3-161.1-117.5 100.0 25.5 -15.8 36.6 107 114 A P G > S+ 0 0 48 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.815 89.6 67.1 -47.2 -36.9 26.7 -18.3 39.3 108 115 A E G 3 S+ 0 0 169 1,-0.3 3,-0.2 2,-0.1 -3,-0.0 0.704 106.3 42.2 -59.8 -19.3 29.5 -19.4 37.1 109 116 A K G X> S+ 0 0 44 -3,-2.9 3,-1.9 1,-0.1 4,-0.7 0.088 71.7 130.4-117.1 24.0 31.0 -15.9 37.5 110 117 A Q G X4 S+ 0 0 82 -3,-2.0 3,-0.7 1,-0.3 4,-0.5 0.822 72.4 55.4 -45.6 -39.9 30.4 -15.4 41.2 111 118 A E G 34 S+ 0 0 133 1,-0.2 4,-0.3 -4,-0.2 -1,-0.3 0.772 101.7 59.1 -68.0 -25.7 34.0 -14.4 41.8 112 119 A E G <4 S+ 0 0 89 -3,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.670 90.1 69.9 -78.7 -19.2 33.8 -11.6 39.2 113 120 A Y S X< S+ 0 0 12 -4,-0.7 3,-1.4 -3,-0.7 -1,-0.2 0.844 91.0 53.3 -73.2 -36.7 31.0 -9.6 40.7 114 121 A N G > S+ 0 0 36 -4,-0.5 3,-1.4 1,-0.3 -1,-0.2 0.696 96.1 73.0 -72.2 -14.7 32.5 -8.0 43.8 115 122 A D G 3 S+ 0 0 110 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.581 83.8 66.7 -73.6 -9.9 35.3 -6.7 41.6 116 123 A I G < S+ 0 0 40 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.512 86.6 92.9 -87.3 -4.9 32.9 -4.1 40.2 117 124 A L S < S- 0 0 14 -3,-1.4 4,-0.1 1,-0.1 179,-0.1 -0.673 78.3-133.7 -92.4 143.3 32.8 -2.5 43.6 118 125 A P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.929 105.8 18.8 -57.9 -45.8 35.1 0.4 44.6 119 126 A N > + 0 0 117 176,-0.2 3,-2.2 1,-0.1 -4,-0.1 -0.708 66.7 177.3-129.9 81.0 35.9 -1.4 47.9 120 127 A P G > S+ 0 0 52 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.666 80.0 68.0 -55.6 -17.1 35.0 -5.1 47.7 121 128 A E G 3 S+ 0 0 100 1,-0.2 -2,-0.0 -3,-0.1 -7,-0.0 0.731 85.0 66.5 -77.8 -23.8 36.4 -5.4 51.2 122 129 A N G < S+ 0 0 70 -3,-2.2 2,-0.3 173,-0.1 -1,-0.2 0.041 77.7 124.8 -87.9 28.9 33.6 -3.4 52.8 123 130 A L < - 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f 0 240B 0 62,-2.0 64,-2.9 -2,-0.4 2,-0.3 -0.907 3.2-176.7-127.1 154.3 4.6 2.6 30.4 178 185 A R - 0 0 18 -2,-0.3 5,-0.1 62,-0.2 -110,-0.0 -0.988 45.7 -71.4-152.0 151.0 6.5 5.9 30.6 179 186 A D >> - 0 0 6 -2,-0.3 4,-1.6 1,-0.2 3,-0.6 -0.212 47.3-132.9 -44.3 125.5 8.0 8.4 28.1 180 187 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.783 101.3 59.7 -55.0 -34.1 11.0 6.5 26.8 181 188 A R H 3> S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.900 108.8 41.3 -66.7 -40.2 13.3 9.5 27.2 182 189 A D H <> S+ 0 0 6 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.783 112.1 56.8 -75.2 -30.4 12.7 9.7 31.0 183 190 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.896 106.2 50.8 -64.7 -41.1 12.9 5.9 31.2 184 191 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.936 111.9 46.4 -63.1 -46.8 16.4 6.1 29.6 185 192 A V H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.935 116.1 45.0 -62.0 -45.7 17.5 8.7 32.1 186 193 A S H X S+ 0 0 6 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.872 113.5 50.1 -67.4 -34.8 16.1 6.7 35.0 187 194 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.859 106.9 56.1 -70.0 -34.5 17.6 3.5 33.6 188 195 A F H X S+ 0 0 16 -4,-2.4 4,-1.6 1,-0.2 3,-0.2 0.970 111.4 42.2 -59.4 -53.8 20.9 5.3 33.3 189 196 A H H X S+ 0 0 29 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.822 112.0 54.4 -62.0 -36.8 21.0 6.2 37.0 190 197 A H H X S+ 0 0 29 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.843 106.3 52.0 -66.8 -34.4 19.7 2.8 38.0 191 198 A A H <>S+ 0 0 0 -4,-2.0 5,-3.0 -3,-0.2 6,-0.8 0.870 110.0 49.8 -69.6 -35.2 22.6 1.2 36.1 192 199 A R H ><5S+ 0 0 65 -4,-1.6 3,-1.5 3,-0.2 -2,-0.2 0.912 104.7 59.8 -66.4 -41.7 24.9 3.5 38.0 193 200 A L H 3<5S+ 0 0 3 -4,-2.3 105,-2.2 1,-0.3 -2,-0.2 0.872 112.5 36.0 -53.3 -44.6 23.2 2.4 41.3 194 201 A L T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 103,-0.2 -2,-0.2 0.213 113.5-111.3 -98.1 14.2 24.1 -1.3 40.9 195 202 A Y T < 5S+ 0 0 44 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.822 75.2 136.1 61.1 33.8 27.5 -0.7 39.3 196 203 A L < + 0 0 5 -5,-3.0 -172,-0.4 -6,-0.2 2,-0.3 0.757 53.0 68.6 -81.7 -25.9 26.2 -2.0 35.9 197 204 A L S S- 0 0 16 -6,-0.8 2,-0.2 -9,-0.1 -176,-0.2 -0.698 90.6-105.7-100.3 149.2 27.9 0.7 33.8 198 205 A N > - 0 0 39 -178,-2.8 3,-2.2 -2,-0.3 -2,-0.1 -0.514 31.9-130.2 -66.6 130.5 31.5 1.4 33.1 199 206 A K T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.814 106.2 57.3 -54.2 -34.8 32.4 4.5 35.1 200 207 A Q T 3 S+ 0 0 103 2,-0.0 2,-0.3 -180,-0.0 -1,-0.3 0.385 90.2 97.2 -79.9 4.8 33.9 6.3 32.1 201 208 A S < - 0 0 7 -3,-2.2 2,-0.2 -181,-0.1 -181,-0.1 -0.707 58.8-158.5 -95.1 147.2 30.6 6.0 30.2 202 209 A N > - 0 0 82 -2,-0.3 4,-1.5 1,-0.0 3,-0.2 -0.545 34.6 -90.9-115.1-177.4 28.0 8.8 30.1 203 210 A F H > S+ 0 0 15 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.868 120.0 57.6 -64.8 -38.0 24.3 9.1 29.4 204 211 A K H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 107.3 48.5 -62.0 -37.2 24.7 9.7 25.7 205 212 A D H > S+ 0 0 56 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.862 112.5 49.7 -67.9 -34.6 26.5 6.3 25.4 206 213 A F H X S+ 0 0 0 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.911 110.1 50.9 -68.4 -40.8 23.7 4.9 27.5 207 214 A W H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.862 105.8 54.3 -64.2 -39.5 21.1 6.5 25.2 208 215 A E H X S+ 0 0 44 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.941 114.4 42.2 -58.6 -47.2 22.7 5.1 22.0 209 216 A M H <>S+ 0 0 0 -4,-1.6 5,-3.0 1,-0.2 3,-0.5 0.947 115.0 49.8 -64.5 -51.3 22.5 1.6 23.5 210 217 A F H ><5S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 10,-0.4 0.873 113.2 42.6 -59.6 -45.0 19.0 2.0 24.9 211 218 A H H 3<5S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.653 109.6 58.9 -80.4 -11.4 17.3 3.4 21.7 212 219 A R T 3<5S- 0 0 109 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.325 118.7-109.6 -94.7 7.6 19.1 0.9 19.5 213 220 A G T < 5S+ 0 0 5 -3,-1.0 -3,-0.2 -4,-0.1 -2,-0.1 0.830 86.4 120.5 69.1 32.7 17.5 -1.9 21.5 214 221 A L < + 0 0 1 -5,-3.0 2,-0.3 -6,-0.2 -4,-0.2 0.195 50.6 82.5-112.5 14.0 20.9 -2.9 23.0 215 222 A Y S > S- 0 0 0 -6,-0.4 3,-2.1 -5,-0.3 -178,-0.4 -0.736 97.6 -53.2-112.4 168.3 20.0 -2.5 26.7 216 223 A T T 3 S- 0 0 5 -2,-0.3 -178,-0.2 1,-0.3 -151,-0.1 -0.082 117.7 -10.9 -45.2 122.8 18.3 -4.8 29.1 217 224 A L T 3 S+ 0 0 4 -180,-3.0 -1,-0.3 1,-0.2 -179,-0.1 0.539 104.7 149.7 60.4 14.8 14.9 -6.1 27.8 218 225 A T < + 0 0 0 -3,-2.1 -181,-2.8 -183,-0.1 -1,-0.2 -0.399 44.5 114.5 -84.3 175.6 14.6 -3.7 24.9 219 226 A P > - 0 0 30 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.263 64.3-157.1 -52.6 126.3 13.6 -3.2 22.0 220 227 A Y H > S+ 0 0 2 -10,-0.4 4,-2.1 1,-0.2 3,-0.2 0.929 83.3 46.0 -55.4 -52.8 11.7 -0.7 24.2 221 228 A F H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.823 107.8 55.7 -65.7 -30.1 8.7 -0.2 21.8 222 229 A E H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.883 108.1 51.4 -67.3 -34.5 8.2 -3.9 21.1 223 230 A H H X S+ 0 0 1 -4,-1.6 4,-1.0 -3,-0.2 -63,-0.3 0.959 115.4 40.2 -64.8 -50.6 7.9 -4.4 24.9 224 231 A V H >X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-0.6 0.918 111.5 56.2 -64.7 -46.6 5.3 -1.6 25.2 225 232 A K H 3X S+ 0 0 51 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.865 100.9 58.2 -56.9 -38.1 3.4 -2.5 22.0 226 233 A E H 3< S+ 0 0 22 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.868 113.6 38.3 -60.5 -37.3 2.8 -6.1 23.2 227 234 A A H X< S+ 0 0 1 -4,-1.0 3,-0.8 -3,-0.6 4,-0.4 0.864 112.9 56.8 -80.0 -38.2 1.0 -4.9 26.3 228 235 A W H >< S+ 0 0 32 -4,-2.8 3,-0.9 1,-0.3 -2,-0.2 0.841 102.8 55.6 -60.9 -34.7 -0.7 -2.1 24.4 229 236 A A T 3< S+ 0 0 69 -4,-2.4 3,-0.3 1,-0.2 -1,-0.3 0.751 111.0 45.2 -70.1 -24.1 -2.2 -4.6 22.0 230 237 A K T X S+ 0 0 82 -3,-0.8 3,-1.2 -4,-0.5 -1,-0.2 0.336 78.7 104.9-100.9 5.6 -3.7 -6.5 25.0 231 238 A R T < S+ 0 0 60 -3,-0.9 7,-0.2 -4,-0.4 -1,-0.2 0.692 71.6 65.6 -61.1 -19.0 -5.1 -3.4 26.8 232 239 A H T 3 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.847 78.5 102.1 -70.9 -34.8 -8.6 -4.3 25.7 233 240 A D S X S- 0 0 37 -3,-1.2 3,-1.8 1,-0.1 -3,-0.0 -0.174 78.4-129.6 -52.6 135.9 -8.6 -7.5 27.8 234 241 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.714 107.5 55.6 -61.7 -21.1 -10.5 -7.2 31.1 235 242 A N T 3 S+ 0 0 28 -67,-0.1 -62,-2.5 -63,-0.1 2,-0.4 0.237 96.9 78.7 -97.3 13.5 -7.5 -8.7 33.0 236 243 A M E < -f 173 0B 7 -3,-1.8 2,-0.5 -64,-0.2 -62,-0.2 -0.980 53.4-173.1-125.7 133.4 -5.1 -6.0 31.7 237 244 A L E -f 174 0B 13 -64,-2.1 -62,-2.1 -2,-0.4 2,-0.5 -0.915 8.7-164.6-127.6 102.1 -4.8 -2.5 32.9 238 245 A F E +f 175 0B 13 -2,-0.5 2,-0.3 -7,-0.2 -62,-0.2 -0.767 17.5 173.8 -87.8 125.6 -2.4 -0.3 30.9 239 246 A L E -f 176 0B 2 -64,-2.8 -62,-2.0 -2,-0.5 2,-0.5 -0.909 26.9-131.2-131.5 159.5 -1.4 2.9 32.7 240 247 A F E >> -f 177 0B 19 -2,-0.3 3,-0.9 -64,-0.2 4,-0.9 -0.941 14.0-137.5-113.7 132.1 1.1 5.7 32.0 241 248 A Y H >> S+ 0 0 14 -64,-2.9 4,-0.9 -2,-0.5 3,-0.7 0.838 104.0 61.9 -52.8 -36.7 3.5 6.9 34.7 242 249 A E H >> S+ 0 0 14 -65,-0.3 4,-1.3 1,-0.2 3,-0.8 0.892 96.4 57.6 -59.4 -40.4 2.7 10.5 33.8 243 250 A D H <> S+ 0 0 46 -3,-0.9 4,-2.8 1,-0.3 -1,-0.2 0.793 97.5 62.3 -62.6 -26.6 -0.9 10.1 34.7 244 251 A Y H << S+ 0 0 5 -4,-0.9 4,-0.5 -3,-0.7 -1,-0.3 0.863 107.7 43.9 -63.6 -37.2 0.2 9.1 38.2 245 252 A L H << S+ 0 0 80 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.707 116.3 46.1 -80.9 -24.2 1.7 12.5 38.6 246 253 A K H < S- 0 0 181 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.910 137.4 -3.7 -85.4 -45.1 -1.3 14.4 37.1 247 254 A D X + 0 0 90 -4,-2.8 4,-1.8 -5,-0.1 -2,-0.2 -0.553 61.8 167.2-150.7 79.3 -4.1 12.6 39.0 248 255 A L H > S+ 0 0 18 -4,-0.5 4,-3.6 1,-0.2 5,-0.2 0.895 81.7 57.6 -61.0 -42.1 -3.0 9.8 41.3 249 256 A P H > S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.913 108.4 47.2 -55.0 -43.2 -6.4 9.7 43.0 250 257 A G H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.869 113.8 47.5 -65.8 -38.0 -8.0 9.0 39.6 251 258 A C H X S+ 0 0 7 -4,-1.8 4,-2.5 -8,-0.2 5,-0.2 0.904 107.7 55.3 -69.0 -42.2 -5.4 6.4 38.9 252 259 A I H X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.2 -2,-0.2 0.874 108.5 49.9 -57.8 -36.7 -5.9 4.8 42.3 253 260 A A H X S+ 0 0 30 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.906 107.6 52.3 -68.8 -43.9 -9.6 4.5 41.4 254 261 A R H X S+ 0 0 134 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.932 111.3 47.5 -58.7 -44.2 -8.9 2.9 38.1 255 262 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.860 110.6 52.4 -66.2 -34.4 -6.7 0.3 39.8 256 263 A A H <>S+ 0 0 3 -4,-1.8 5,-3.0 -5,-0.2 4,-0.3 0.955 111.0 45.5 -66.3 -49.4 -9.4 -0.4 42.4 257 264 A D H ><5S+ 0 0 88 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.934 111.1 53.4 -58.1 -48.0 -12.1 -1.0 39.9 258 265 A F H 3<5S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.860 111.5 46.5 -55.3 -37.3 -9.8 -3.2 37.8 259 266 A L T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.386 115.9-115.8 -87.9 4.3 -9.1 -5.2 41.0 260 267 A G T < 5S+ 0 0 64 -3,-2.0 2,-0.4 -4,-0.3 -3,-0.2 0.840 73.5 131.5 65.4 33.7 -12.8 -5.4 41.9 261 268 A K < - 0 0 74 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.964 48.1-144.6-122.4 134.3 -12.2 -3.4 45.1 262 269 A K - 0 0 176 -2,-0.4 2,-0.4 -3,-0.1 -9,-0.0 -0.810 16.4-172.1-100.6 137.8 -14.2 -0.4 46.3 263 270 A L - 0 0 29 -2,-0.4 2,-0.1 -10,-0.1 -6,-0.0 -0.957 19.8-127.9-127.4 144.8 -12.5 2.5 48.1 264 271 A S > - 0 0 56 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.457 34.3-107.1 -83.8 163.6 -14.0 5.5 49.8 265 272 A E H > S+ 0 0 175 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.834 123.8 52.2 -60.2 -30.7 -12.7 9.0 48.9 266 273 A E H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 107.9 50.0 -70.4 -44.6 -11.0 9.0 52.3 267 274 A Q H > S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.880 112.4 48.7 -60.8 -38.7 -9.3 5.7 51.6 268 275 A I H X S+ 0 0 28 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.923 109.7 49.9 -68.6 -44.0 -8.2 7.0 48.2 269 276 A Q H X S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.811 109.9 53.6 -64.3 -28.7 -6.8 10.2 49.6 270 277 A R H X S+ 0 0 138 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.827 109.0 47.3 -75.2 -32.5 -4.9 8.1 52.2 271 278 A L H X S+ 0 0 0 -4,-1.4 4,-1.1 -3,-0.2 -2,-0.2 0.899 111.5 52.3 -72.6 -41.3 -3.3 6.0 49.5 272 279 A C H >< S+ 0 0 34 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.936 110.2 46.3 -60.8 -47.5 -2.4 9.1 47.5 273 280 A E H >< S+ 0 0 118 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.854 106.8 60.4 -65.2 -30.7 -0.7 10.6 50.5 274 281 A H H 3< S+ 0 0 10 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.783 104.7 49.7 -65.6 -26.7 1.1 7.3 51.2 275 282 A L T << S+ 0 0 11 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.235 76.2 139.3 -97.3 13.2 2.7 7.6 47.8 276 283 A N <> - 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0 0 35 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.280 65.9-157.8 -52.9 124.6 61.1 2.9 -4.8 563 227 B Y H >> S+ 0 0 2 -10,-0.4 4,-1.9 1,-0.2 3,-0.6 0.948 82.1 47.4 -51.5 -61.1 61.1 0.5 -1.8 564 228 B F H 3> S+ 0 0 2 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.783 107.0 55.6 -56.9 -32.8 64.8 -0.1 -1.7 565 229 B E H 3> S+ 0 0 61 -3,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.904 107.7 52.8 -64.8 -38.9 65.8 3.6 -1.9 566 230 B H H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.6 0.929 111.2 57.5 -61.6 -49.1 65.3 1.4 3.2 568 232 B K H 3X S+ 0 0 55 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.821 99.9 58.4 -54.2 -35.6 68.8 2.2 2.1 569 233 B E H 3< S+ 0 0 22 -4,-1.7 4,-0.4 -3,-0.2 -1,-0.2 0.918 113.1 38.2 -62.6 -42.6 68.6 5.8 3.3 570 234 B A H X< S+ 0 0 1 -4,-1.0 3,-1.5 -3,-0.6 4,-0.2 0.893 111.5 59.6 -73.9 -40.5 67.9 4.7 6.8 571 235 B W H >< S+ 0 0 29 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.870 99.2 57.9 -53.7 -42.0 70.3 1.8 6.6 572 236 B A T 3< S+ 0 0 83 -4,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.724 109.1 46.4 -62.0 -23.2 73.1 4.3 5.8 573 237 B K T X S+ 0 0 94 -3,-1.5 3,-2.0 -4,-0.4 -1,-0.3 0.320 78.1 110.9-101.7 7.6 72.3 6.0 9.2 574 238 B R T < S+ 0 0 81 -3,-1.6 7,-0.3 1,-0.3 -1,-0.2 0.692 76.3 51.8 -57.6 -23.0 72.1 2.8 11.2 575 239 B H T 3 S+ 0 0 145 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.515 83.5 111.5 -92.2 -5.4 75.3 3.5 13.2 576 240 B D S X S- 0 0 41 -3,-2.0 3,-1.7 1,-0.1 -3,-0.0 -0.426 76.3-126.1 -67.4 141.3 74.1 7.0 14.2 577 241 B P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.803 109.2 50.7 -58.7 -29.7 73.4 7.3 17.9 578 242 B N T 3 S+ 0 0 27 -67,-0.2 -62,-2.4 -63,-0.1 2,-0.4 0.168 98.0 77.5 -97.1 17.4 69.9 8.6 17.1 579 243 B M E < -l 516 0D 7 -3,-1.7 2,-0.6 -64,-0.2 -62,-0.2 -0.993 50.8-173.1-130.1 128.8 68.8 5.8 14.7 580 244 B L E -l 517 0D 10 -64,-2.5 -62,-1.8 -2,-0.4 2,-0.5 -0.901 11.8-163.8-120.5 97.7 67.6 2.3 15.6 581 245 B F E +l 518 0D 15 -2,-0.6 2,-0.3 -7,-0.3 -62,-0.2 -0.741 17.0 179.7 -83.5 122.9 67.2 0.3 12.4 582 246 B L E -l 519 0D 3 -64,-3.2 -62,-2.2 -2,-0.5 2,-0.5 -0.908 24.2-133.4-126.9 155.3 65.1 -2.8 13.1 583 247 B F E >> -l 520 0D 20 -2,-0.3 4,-1.1 -64,-0.2 3,-1.0 -0.932 11.4-141.4-111.8 126.5 63.8 -5.8 11.1 584 248 B Y H >> S+ 0 0 14 -64,-3.1 4,-1.2 -2,-0.5 3,-0.8 0.886 102.8 59.4 -49.8 -45.0 60.2 -6.9 11.4 585 249 B E H 3> S+ 0 0 15 -65,-0.3 4,-1.6 1,-0.3 3,-0.4 0.868 99.4 57.4 -54.4 -38.6 61.3 -10.5 11.2 586 250 B D H <> S+ 0 0 50 -3,-1.0 4,-3.6 1,-0.2 -1,-0.3 0.862 98.2 61.4 -61.8 -35.2 63.5 -10.1 14.3 587 251 B Y H S+ 0 0 32 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.930 108.6 48.8 -51.2 -43.8 62.2 -9.8 24.1 593 257 B G H > S+ 0 0 27 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.945 110.9 48.1 -60.5 -50.3 65.5 -9.0 22.5 594 258 B C H X S+ 0 0 9 -4,-2.3 4,-2.7 -8,-0.2 -1,-0.2 0.899 108.1 55.7 -58.1 -42.2 64.1 -6.2 20.3 595 259 B I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.889 106.6 50.2 -58.8 -40.3 62.3 -4.6 23.2 596 260 B A H X S+ 0 0 29 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.896 110.6 49.5 -66.0 -41.4 65.6 -4.4 25.2 597 261 B R H X S+ 0 0 136 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.935 112.4 48.0 -62.6 -46.1 67.3 -2.7 22.3 598 262 B I H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.930 112.1 48.1 -60.3 -47.9 64.5 -0.2 21.9 599 263 B A H <>S+ 0 0 1 -4,-2.6 5,-3.6 1,-0.2 -1,-0.2 0.879 114.8 46.5 -61.0 -39.8 64.4 0.6 25.6 600 264 B D H ><5S+ 0 0 81 -4,-2.2 3,-2.1 3,-0.2 -1,-0.2 0.903 107.4 56.4 -67.8 -44.2 68.1 1.1 25.7 601 265 B F H 3<5S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.9 48.2 -54.1 -38.5 68.1 3.2 22.6 602 266 B L T 3<5S- 0 0 9 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.342 124.1-104.1 -87.4 6.3 65.6 5.5 24.4 603 267 B G T < 5S+ 0 0 66 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.657 82.3 126.8 80.7 16.2 67.8 5.7 27.5 604 268 B K < - 0 0 64 -5,-3.6 2,-0.7 -6,-0.2 -1,-0.3 -0.890 47.1-154.9-109.4 136.2 65.6 3.3 29.4 605 269 B K - 0 0 169 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.937 17.3-163.5-112.2 111.1 66.9 0.2 31.2 606 270 B L - 0 0 28 -2,-0.7 2,-0.2 -10,-0.2 -6,-0.0 -0.680 16.0-125.5 -97.5 149.7 64.2 -2.4 31.6 607 271 B S > - 0 0 57 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.524 32.4-109.0 -83.3 157.1 64.2 -5.4 33.9 608 272 B E H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.851 121.5 56.6 -55.5 -33.9 63.6 -8.8 32.3 609 273 B E H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.965 107.0 47.1 -62.3 -51.4 60.2 -8.8 34.0 610 274 B Q H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.909 109.9 54.4 -56.3 -44.0 59.3 -5.5 32.4 611 275 B I H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.874 108.1 48.5 -58.7 -40.3 60.4 -6.8 29.0 612 276 B Q H X S+ 0 0 73 -4,-1.9 4,-2.5 -3,-0.2 -1,-0.2 0.771 107.9 54.6 -73.6 -25.0 58.2 -9.9 29.2 613 277 B R H X S+ 0 0 135 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.895 112.7 43.4 -71.9 -39.8 55.2 -7.7 30.2 614 278 B L H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.883 111.4 55.7 -69.7 -39.3 55.8 -5.7 27.1 615 279 B C H >< S+ 0 0 25 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.971 110.4 43.4 -58.2 -54.9 56.4 -8.9 25.1 616 280 B E H >< S+ 0 0 118 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.851 105.6 63.0 -60.7 -34.7 53.0 -10.3 26.1 617 281 B H H 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.805 103.9 50.7 -59.8 -28.1 51.3 -7.0 25.6 618 282 B L T << S+ 0 0 11 -3,-1.2 -1,-0.3 -4,-1.2 -2,-0.2 0.210 74.8 141.4 -95.4 14.5 52.3 -7.4 21.9 619 283 B N <> - 0 0 93 -3,-2.1 4,-3.5 1,-0.1 5,-0.3 -0.377 59.0-124.7 -55.6 130.7 50.9 -10.9 21.5 620 284 B F H > S+ 0 0 61 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.892 106.1 43.1 -47.8 -54.2 49.5 -10.9 18.0 621 285 B E H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.886 117.4 46.9 -64.3 -35.9 46.0 -12.0 18.9 622 286 B K H 4 S+ 0 0 120 2,-0.2 3,-0.5 1,-0.2 -2,-0.2 0.966 114.6 46.8 -68.5 -48.4 45.8 -9.7 21.9 623 287 B F H >< S+ 0 0 8 -4,-3.5 3,-1.8 1,-0.2 6,-0.2 0.906 108.1 56.6 -57.6 -44.4 47.1 -6.8 19.9 624 288 B K H 3< S+ 0 0 56 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.842 111.2 43.5 -57.5 -35.5 44.7 -7.5 17.1 625 289 B N T 3< S+ 0 0 123 -4,-1.3 2,-0.8 -3,-0.5 -1,-0.3 0.290 86.4 109.8 -95.9 10.9 41.8 -7.2 19.5 626 290 B N X> - 0 0 39 -3,-1.8 4,-2.3 -4,-0.2 3,-1.7 -0.784 57.3-156.6 -88.9 109.9 43.1 -4.1 21.2 627 291 B G T 34 S+ 0 0 35 -2,-0.8 4,-0.4 1,-0.3 6,-0.3 0.701 86.1 67.4 -59.8 -22.4 40.9 -1.3 20.2 628 292 B A T 34 S+ 0 0 9 1,-0.2 -193,-3.4 -194,-0.1 -192,-0.3 0.715 119.5 17.3 -72.7 -18.8 43.5 1.4 20.9 629 293 B V T <4 S+ 0 0 4 -3,-1.7 -2,-0.2 -6,-0.2 -1,-0.2 0.593 105.7 77.8-126.7 -17.6 45.6 0.1 18.0 630 294 B N S < S- 0 0 15 -4,-2.3 16,-0.6 -7,-0.2 17,-0.4 0.529 82.8-137.1 -77.6 -2.7 43.5 -2.0 15.7 631 295 B M > + 0 0 53 -4,-0.4 3,-2.1 -5,-0.2 4,-0.2 0.532 64.1 131.5 62.7 5.2 41.8 0.9 14.0 632 296 B E G > + 0 0 35 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.621 52.2 83.2 -64.6 -8.7 38.5 -1.0 14.2 633 297 B D G 3 S+ 0 0 13 -6,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.601 85.8 59.9 -69.0 -8.3 37.0 2.2 15.6 634 298 B Y G <>>S+ 0 0 43 -3,-2.1 4,-1.2 1,-0.2 5,-1.1 0.519 82.0 78.7 -95.7 -8.1 36.7 3.2 11.9 635 299 B R T <45S+ 0 0 62 -3,-1.5 5,-0.2 1,-0.2 -1,-0.2 0.804 88.3 57.6 -73.0 -25.2 34.4 0.3 10.9 636 300 B E T 45S+ 0 0 80 -4,-0.4 -1,-0.2 1,-0.2 -169,-0.2 0.837 101.3 57.4 -71.4 -30.9 31.4 2.0 12.3 637 301 B I T 45S- 0 0 3 -4,-0.2 -170,-2.3 -3,-0.1 -1,-0.2 0.897 112.6-122.8 -65.4 -39.1 32.1 5.0 10.1 638 302 B G T <5S+ 0 0 27 -4,-1.2 -176,-0.2 -172,-0.2 -3,-0.2 0.640 79.3 111.4 106.5 19.2 31.9 2.8 7.1 639 303 B I < + 0 0 26 -5,-1.1 2,-0.5 -179,-0.1 -4,-0.1 0.333 55.3 89.7-105.3 6.1 35.3 3.3 5.4 640 304 B L S S- 0 0 11 -6,-0.3 -103,-0.2 -5,-0.2 -104,-0.1 -0.902 75.4-125.5-109.0 132.1 36.7 -0.1 6.0 641 305 B A > - 0 0 10 -105,-2.2 3,-1.0 -2,-0.5 -2,-0.1 -0.399 30.4-107.1 -70.7 145.5 36.2 -3.0 3.6 642 306 B D T 3 S+ 0 0 144 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.397 104.0 29.0 -69.1 152.0 34.7 -6.2 4.9 643 307 B G T 3 S+ 0 0 67 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.674 103.3 98.5 72.3 16.0 37.1 -9.1 5.2 644 308 B E < - 0 0 19 -3,-1.0 2,-0.3 -108,-0.1 -1,-0.2 -0.990 47.7-175.2-136.6 144.9 40.1 -6.8 5.8 645 309 B H - 0 0 71 -2,-0.3 3,-0.1 1,-0.1 -109,-0.1 -0.997 32.1-133.5-141.6 143.4 41.8 -5.7 9.0 646 310 B F S S+ 0 0 24 -16,-0.6 2,-0.9 -2,-0.3 -1,-0.1 0.926 110.4 45.0 -60.3 -45.7 44.6 -3.3 10.0 647 311 B I S S+ 0 0 15 -17,-0.4 -1,-0.3 -23,-0.2 -17,-0.0 -0.878 84.8 158.9-102.2 102.4 46.1 -6.0 12.2 648 312 B R - 0 0 53 -2,-0.9 -1,-0.2 -3,-0.1 -2,-0.1 0.949 56.4 -26.5 -90.5 -86.3 45.9 -9.0 9.8 649 313 B K - 0 0 108 2,-0.1 -2,-0.1 0, 0.0 -29,-0.0 0.793 58.1-150.1-109.0 -47.3 48.1 -12.1 10.1 650 314 B G + 0 0 13 1,-0.2 2,-0.2 -30,-0.0 -30,-0.1 0.777 50.7 120.3 79.9 28.9 51.4 -11.2 11.8 651 315 B K - 0 0 113 -126,-0.1 2,-0.4 -63,-0.0 -1,-0.2 -0.736 53.8-132.8-120.5 169.5 53.7 -13.8 10.1 652 316 B A S S+ 0 0 45 -2,-0.2 -131,-0.0 1,-0.1 0, 0.0 -0.938 85.5 29.2-120.5 144.9 56.8 -13.8 7.9 653 317 B G S > S+ 0 0 38 -2,-0.4 3,-1.2 -131,-0.1 -1,-0.1 0.451 75.3 121.2 89.4 0.3 57.2 -15.8 4.8 654 318 B C G > + 0 0 33 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.614 52.2 87.4 -71.7 -10.2 53.5 -15.9 3.9 655 319 B W G >> S+ 0 0 8 1,-0.3 3,-1.8 2,-0.2 4,-1.3 0.755 71.1 72.3 -61.5 -23.8 54.4 -14.2 0.6 656 320 B R G <4 S+ 0 0 156 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.669 89.6 61.7 -67.1 -12.5 55.0 -17.6 -1.0 657 321 B D G <4 S+ 0 0 138 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.649 111.9 37.3 -83.8 -15.1 51.2 -18.1 -0.9 658 322 B Y T <4 S+ 0 0 78 -3,-1.8 2,-0.6 -4,-0.3 -2,-0.2 0.534 99.8 80.4-111.3 -14.0 50.8 -15.1 -3.2 659 323 B F < - 0 0 11 -4,-1.3 -1,-0.1 4,-0.1 -135,-0.0 -0.874 64.3-151.4-103.4 118.6 53.8 -15.4 -5.6 660 324 B D > - 0 0 48 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.174 42.5 -88.5 -73.3 177.2 53.5 -17.8 -8.5 661 325 B E H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.910 128.8 48.7 -55.7 -44.3 56.7 -19.3 -9.9 662 326 B E H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.950 110.8 49.1 -59.8 -53.5 57.2 -16.4 -12.3 663 327 B M H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.890 108.1 55.6 -53.7 -45.2 56.7 -13.7 -9.7 664 328 B T H X S+ 0 0 19 -4,-2.4 4,-3.5 2,-0.2 3,-0.2 0.969 109.6 43.9 -52.8 -60.5 59.1 -15.4 -7.3 665 329 B K H X S+ 0 0 134 -4,-1.9 4,-2.6 1,-0.3 5,-0.2 0.897 113.6 53.1 -52.3 -43.4 62.0 -15.4 -9.8 666 330 B Q H X S+ 0 0 50 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.899 112.5 43.9 -59.5 -42.1 61.0 -11.8 -10.7 667 331 B A H X S+ 0 0 0 -4,-2.9 4,-3.0 -3,-0.2 5,-0.2 0.915 110.6 55.0 -70.2 -42.9 61.2 -10.9 -7.0 668 332 B E H X S+ 0 0 50 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.906 111.0 44.8 -57.3 -44.1 64.4 -12.8 -6.4 669 333 B K H X S+ 0 0 140 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.906 112.9 51.3 -66.8 -42.8 66.1 -10.9 -9.3 670 334 B W H X S+ 0 0 35 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.937 111.3 46.9 -59.7 -49.9 64.8 -7.5 -8.0 671 335 B I H X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.933 113.9 48.1 -60.4 -45.1 66.0 -8.1 -4.5 672 336 B K H X S+ 0 0 144 -4,-2.2 4,-1.1 -5,-0.2 3,-0.5 0.862 108.2 53.2 -66.0 -36.6 69.4 -9.2 -5.6 673 337 B D H < S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.9 45.3 -66.8 -33.5 69.9 -6.3 -8.0 674 338 B N H < S+ 0 0 36 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.560 114.0 47.6 -86.1 -9.8 69.2 -3.9 -5.2 675 339 B L H >< S+ 0 0 14 -4,-0.8 3,-1.5 -3,-0.5 -1,-0.2 0.508 86.3 108.8-104.7 -9.7 71.4 -5.6 -2.6 676 340 B K T 3< S+ 0 0 145 -4,-1.1 3,-0.1 1,-0.3 4,-0.1 -0.428 87.5 13.5 -67.0 139.5 74.3 -5.9 -5.0 677 341 B D T 3 S+ 0 0 157 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.643 115.9 91.3 68.1 14.0 77.2 -3.5 -4.0 678 342 B T S < S- 0 0 33 -3,-1.5 -1,-0.2 2,-0.1 -3,-0.0 -0.956 71.7-139.9-136.6 156.3 75.5 -2.9 -0.6 679 343 B D + 0 0 90 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 0.357 62.4 125.7 -96.3 4.8 75.8 -4.6 2.8 680 344 B L + 0 0 0 -5,-0.1 2,-0.4 -4,-0.1 -2,-0.1 -0.510 35.7 170.4 -65.0 120.1 72.1 -4.3 3.4 681 345 B R - 0 0 138 -2,-0.4 -2,-0.0 4,-0.0 3,-0.0 -1.000 29.5-132.6-138.2 135.1 70.9 -7.9 4.2 682 346 B Y - 0 0 7 -2,-0.4 3,-0.5 1,-0.1 -161,-0.0 -0.730 18.8-129.2 -90.2 133.9 67.6 -9.1 5.5 683 347 B P S S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -100,-0.0 0.889 106.7 40.4 -40.9 -61.9 67.6 -11.6 8.5 684 348 B N 0 0 74 -3,-0.0 -2,-0.0 0, 0.0 -32,-0.0 0.766 360.0 360.0 -64.9 -29.0 65.3 -14.2 6.9 685 349 B M 0 0 97 -3,-0.5 -4,-0.0 0, 0.0 -163,-0.0 -0.169 360.0 360.0 -72.2 360.0 66.9 -13.9 3.5