==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAY-08 3DB2 . COMPND 2 MOLECULE: PUTATIVE NADPH-DEPENDENT OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE DCB-2; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1036 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 765 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 46 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 6 3 2 0 0 1 5 6 3 0 4 2 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 9 0 3 3 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 3 0 0 5 1 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 1 0 0 3 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 1 A X 0 0 141 0, 0.0 27,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.6 17.7 52.1 30.0 2 2 A Y - 0 0 51 1,-0.1 3,-0.1 3,-0.0 307,-0.0 -0.104 360.0 -79.5 -63.6 176.0 19.3 55.3 28.8 3 3 A N - 0 0 106 1,-0.1 -1,-0.1 306,-0.0 25,-0.1 -0.676 63.9-102.6 -76.1 134.3 19.5 55.8 25.1 4 4 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 25,-0.3 -0.152 34.3-107.6 -63.5 152.5 22.5 53.7 24.1 5 5 A V E -a 29 0A 0 23,-2.8 25,-2.7 1,-0.1 2,-0.5 -0.597 29.5-120.4 -77.5 132.0 25.8 55.4 23.4 6 6 A G E -a 30 0A 6 -2,-0.3 61,-2.6 23,-0.2 62,-2.4 -0.676 38.8-173.0 -72.0 120.2 26.9 55.5 19.7 7 7 A V E -ab 31 68A 0 23,-2.7 25,-3.0 -2,-0.5 26,-1.1 -0.861 18.1-161.5-120.9 151.7 30.3 53.7 19.3 8 8 A A E -ab 33 69A 0 60,-1.5 62,-2.8 -2,-0.3 2,-0.4 -0.999 16.5-137.9-126.6 131.4 32.8 53.2 16.5 9 9 A A E -ab 34 70A 0 24,-1.6 26,-2.4 -2,-0.4 2,-0.5 -0.792 18.2-167.1 -90.9 132.1 35.5 50.5 16.4 10 10 A I E +ab 35 71A 4 60,-2.4 62,-3.3 -2,-0.4 26,-0.2 -0.991 64.3 27.4-124.3 115.5 38.9 51.6 15.2 11 11 A G - 0 0 11 24,-2.5 2,-0.7 -2,-0.5 -1,-0.2 0.773 69.8-151.4 96.5 95.3 41.6 49.1 14.3 12 12 A L + 0 0 5 -3,-0.1 33,-0.1 4,-0.1 -1,-0.1 -0.401 46.1 127.8-109.8 55.4 39.8 45.9 13.2 13 13 A G S >> S- 0 0 32 -2,-0.7 4,-0.7 59,-0.5 3,-0.7 -0.053 79.9 -69.9 -79.5-176.9 42.4 43.2 14.2 14 14 A R H >> S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 3,-1.3 0.894 129.7 54.1 -41.2 -56.5 41.7 40.1 16.3 15 15 A W H 3> S+ 0 0 64 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.790 97.7 63.8 -64.3 -24.4 41.2 41.9 19.6 16 16 A A H <> S+ 0 0 2 -3,-0.7 4,-2.1 2,-0.2 -1,-0.3 0.825 105.9 46.2 -67.4 -30.9 38.5 44.2 18.1 17 17 A Y H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 3,-0.7 0.965 113.5 49.5 -69.5 -45.3 35.9 43.1 22.4 20 20 A A H 3X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.3 5,-0.2 0.867 101.7 62.2 -61.7 -43.3 32.9 43.4 20.1 21 21 A D H 3< S+ 0 0 72 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.852 116.5 33.7 -49.9 -36.1 31.6 39.9 20.9 22 22 A A H X< S+ 0 0 3 -4,-0.9 3,-1.2 -3,-0.7 -2,-0.2 0.924 120.6 43.2 -86.3 -52.7 31.3 41.1 24.5 23 23 A Y H >< S+ 0 0 2 -4,-2.9 3,-1.9 1,-0.3 -3,-0.2 0.777 102.5 66.7 -73.8 -23.2 30.3 44.8 24.3 24 24 A T T 3< S+ 0 0 60 -4,-3.0 -1,-0.3 1,-0.3 -3,-0.1 0.627 89.4 67.7 -77.6 -1.0 27.8 44.3 21.5 25 25 A K T < S+ 0 0 110 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.582 83.8 113.0 -77.4 -10.7 25.7 42.3 24.0 26 26 A S < - 0 0 10 -3,-1.9 3,-0.4 -4,-0.1 -3,-0.0 -0.418 59.3-157.8 -80.1 140.5 25.2 45.6 25.8 27 27 A E S S+ 0 0 92 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.603 97.2 59.0 -79.9 -23.2 21.9 47.5 26.2 28 28 A K S S+ 0 0 62 -24,-0.1 -23,-2.8 -5,-0.1 2,-0.3 0.333 102.0 60.3 -84.5 -13.1 24.0 50.7 26.8 29 29 A L E -a 5 0A 14 -3,-0.4 2,-0.4 -25,-0.3 -23,-0.2 -0.939 51.9-168.4-129.8 147.9 25.9 50.6 23.5 30 30 A K E -a 6 0A 120 -25,-2.7 -23,-2.7 -2,-0.3 2,-0.7 -0.943 20.5-143.3-134.2 115.4 25.1 50.8 19.8 31 31 A L E +a 7 0A 16 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.704 28.3 170.1 -77.5 113.9 27.9 50.0 17.4 32 32 A V E - 0 0 21 -25,-3.0 20,-1.8 -2,-0.7 2,-0.3 0.840 53.7 -17.6 -98.1 -45.2 27.3 52.4 14.5 33 33 A T E -a 8 0A 0 -26,-1.1 -24,-1.6 18,-0.2 2,-0.3 -0.893 54.0-146.9-151.1-179.3 30.4 52.2 12.3 34 34 A C E -a 9 0A 0 18,-0.4 20,-1.8 -2,-0.3 2,-0.3 -0.969 2.6-156.2-148.4 167.6 34.0 51.1 12.1 35 35 A Y E +a 10 0A 39 -26,-2.4 -24,-2.5 -2,-0.3 2,-0.3 -0.946 17.0 158.2-153.8 136.3 37.4 51.9 10.5 36 36 A S - 0 0 9 -2,-0.3 6,-0.2 18,-0.3 18,-0.1 -0.921 50.3-114.7-137.9 154.2 40.6 50.1 9.6 37 37 A R S S+ 0 0 168 -2,-0.3 2,-0.6 1,-0.1 20,-0.0 0.813 104.5 71.2 -59.1 -28.6 43.1 51.2 7.0 38 38 A T S >> S- 0 0 61 1,-0.1 4,-1.5 -3,-0.0 3,-0.9 -0.770 72.4-154.0 -94.1 116.1 42.1 48.1 5.1 39 39 A E H 3> S+ 0 0 105 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.811 95.9 59.5 -59.8 -27.1 38.7 48.1 3.5 40 40 A D H 3> S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 103.9 53.2 -69.0 -31.7 38.5 44.3 3.6 41 41 A K H <> S+ 0 0 84 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.889 109.8 47.2 -62.6 -46.5 38.9 44.6 7.3 42 42 A R H X S+ 0 0 34 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.902 110.8 50.9 -66.7 -43.8 36.0 47.0 7.5 43 43 A E H X S+ 0 0 122 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.925 112.0 48.3 -61.9 -41.2 33.7 44.9 5.3 44 44 A K H X S+ 0 0 121 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 115.7 41.4 -64.1 -51.3 34.4 41.8 7.5 45 45 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 115.7 50.5 -60.6 -48.2 33.8 43.5 10.8 46 46 A G H X>S+ 0 0 9 -4,-2.8 5,-2.1 -5,-0.2 4,-0.6 0.849 110.7 49.8 -58.3 -39.3 30.7 45.4 9.5 47 47 A K H <5S+ 0 0 132 -4,-1.9 3,-0.5 -5,-0.3 -2,-0.2 0.920 113.0 45.9 -66.1 -47.5 29.2 42.2 8.1 48 48 A R H <5S+ 0 0 139 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 122.8 33.3 -68.5 -39.0 29.7 40.2 11.3 49 49 A Y H <5S- 0 0 30 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.365 105.7-116.8-106.3 16.7 28.3 42.9 13.7 50 50 A N T <5S+ 0 0 89 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.951 72.1 123.0 58.4 50.3 25.7 44.5 11.4 51 51 A C < - 0 0 22 -5,-2.1 -18,-0.2 -6,-0.1 -1,-0.2 -0.892 60.6-105.8-134.6 171.7 27.3 47.9 11.3 52 52 A A - 0 0 43 -20,-1.8 -18,-0.4 -2,-0.3 2,-0.3 -0.334 24.2-140.2 -85.7 170.3 28.6 50.3 8.6 53 53 A G - 0 0 33 -20,-0.2 2,-0.4 -2,-0.1 -18,-0.2 -0.788 13.3-136.9-117.6 165.2 32.3 51.0 7.8 54 54 A D - 0 0 24 -20,-1.8 -18,-0.3 -2,-0.3 -12,-0.1 -0.985 10.8-133.6-126.4 147.7 33.7 54.4 6.9 55 55 A A S S+ 0 0 68 -2,-0.4 2,-0.3 -20,-0.1 -1,-0.1 0.757 85.8 7.2 -64.6 -31.6 36.1 55.2 4.1 56 56 A T S > S- 0 0 57 1,-0.1 4,-1.7 -3,-0.0 3,-0.1 -0.963 74.2-108.0-147.5 167.1 38.4 57.3 6.2 57 57 A X H > S+ 0 0 17 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.883 116.4 57.1 -60.0 -41.1 39.0 58.5 9.8 58 58 A E H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.881 106.9 46.5 -59.2 -39.5 37.7 62.0 9.0 59 59 A A H > S+ 0 0 37 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.948 113.7 49.8 -69.8 -47.2 34.3 60.7 7.7 60 60 A L H >< S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.943 112.2 46.6 -54.5 -50.8 34.0 58.5 10.7 61 61 A L H 3< S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.703 104.2 63.8 -74.0 -21.1 34.8 61.4 13.1 62 62 A A H 3< S+ 0 0 78 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.3 0.564 79.8 104.9 -74.7 -13.2 32.4 63.7 11.2 63 63 A R << - 0 0 67 -3,-1.3 3,-0.5 -4,-0.6 -3,-0.0 -0.575 59.5-156.0 -75.4 137.1 29.4 61.5 12.2 64 64 A E S S+ 0 0 190 -2,-0.3 -1,-0.2 1,-0.2 -58,-0.1 0.713 92.2 63.9 -78.8 -23.7 27.2 62.9 14.9 65 65 A D S S+ 0 0 70 -60,-0.1 2,-0.8 -3,-0.0 -1,-0.2 0.622 83.9 87.0 -80.9 -7.9 25.9 59.4 15.8 66 66 A V + 0 0 2 -3,-0.5 -59,-0.2 -6,-0.2 3,-0.1 -0.855 45.7 158.4 -89.5 115.7 29.4 58.4 16.9 67 67 A E + 0 0 50 -61,-2.6 24,-2.3 -2,-0.8 2,-0.3 0.700 63.6 21.2-101.6 -34.9 29.8 59.4 20.6 68 68 A X E -bc 7 91A 0 -62,-2.4 -60,-1.5 22,-0.2 2,-0.4 -0.989 67.4-141.6-137.0 147.8 32.7 57.2 21.7 69 69 A V E -bc 8 92A 0 22,-3.1 24,-2.6 -2,-0.3 2,-0.6 -0.888 3.9-150.0-113.3 147.1 35.5 55.3 19.9 70 70 A I E -bc 9 93A 2 -62,-2.8 -60,-2.4 -2,-0.4 2,-0.7 -0.935 22.6-157.8-113.4 99.2 36.8 51.9 20.8 71 71 A I E +bc 10 94A 0 22,-3.1 24,-1.9 -2,-0.6 -60,-0.2 -0.774 28.3 160.8 -99.8 113.7 40.4 51.9 19.8 72 72 A T + 0 0 20 -62,-3.3 -59,-0.5 -2,-0.7 -56,-0.2 -0.540 32.7 127.8-128.9 60.5 42.3 48.7 19.1 73 73 A V S S- 0 0 23 1,-0.2 22,-0.1 -2,-0.1 5,-0.1 -0.666 71.5 -69.4-103.0 162.3 45.2 49.8 17.1 74 74 A P > - 0 0 83 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.238 46.8-112.2 -51.9 149.7 48.9 49.0 17.8 75 75 A N T 3 S+ 0 0 50 1,-0.3 25,-0.4 2,-0.2 4,-0.4 0.629 117.6 61.5 -54.8 -25.8 50.3 50.6 20.9 76 76 A D T 3 S+ 0 0 66 1,-0.2 -1,-0.3 23,-0.1 4,-0.3 0.579 107.7 43.2 -82.3 -13.8 52.6 52.7 18.7 77 77 A K S <> S+ 0 0 68 -3,-2.0 4,-1.9 2,-0.1 5,-0.3 0.431 85.8 96.8-109.8 -0.7 49.5 54.3 17.0 78 78 A H H > S+ 0 0 1 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.892 83.6 48.6 -54.1 -45.6 47.5 54.9 20.2 79 79 A A H > S+ 0 0 1 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.946 111.3 45.1 -68.0 -50.4 48.6 58.5 20.6 80 80 A E H > S+ 0 0 88 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.947 117.7 45.2 -59.4 -47.6 48.0 59.8 17.1 81 81 A V H X S+ 0 0 13 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.919 112.9 50.3 -65.0 -38.7 44.6 58.1 16.9 82 82 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.3 5,-0.3 0.945 110.3 51.3 -65.0 -39.2 43.6 59.3 20.3 83 83 A E H X S+ 0 0 24 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.965 111.9 45.4 -61.1 -53.8 44.6 62.8 19.4 84 84 A Q H X S+ 0 0 65 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.929 116.4 45.6 -55.4 -48.4 42.5 62.9 16.3 85 85 A C H <>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 3,-0.5 0.944 116.4 44.0 -63.9 -46.3 39.5 61.3 17.9 86 86 A A H ><5S+ 0 0 3 -4,-3.1 3,-2.5 -5,-0.3 -2,-0.2 0.919 108.4 57.0 -64.9 -42.5 39.6 63.5 21.0 87 87 A R H 3<5S+ 0 0 155 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.745 106.4 53.1 -64.8 -18.6 40.3 66.7 19.0 88 88 A S T 3<5S- 0 0 62 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.179 123.8-106.4 -98.2 13.1 37.0 65.8 17.2 89 89 A G T < 5S+ 0 0 45 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.481 71.0 141.2 85.1 3.9 35.1 65.6 20.5 90 90 A K < - 0 0 21 -5,-2.2 -1,-0.2 27,-0.1 -22,-0.2 -0.602 51.7-121.5 -82.7 140.4 34.7 61.8 20.7 91 91 A H E -c 68 0A 42 -24,-2.3 -22,-3.1 -2,-0.3 2,-0.5 -0.456 34.2-122.6 -76.0 154.2 35.1 60.0 24.0 92 92 A I E +cd 69 119A 0 26,-3.3 28,-2.0 -24,-0.2 2,-0.4 -0.930 33.7 171.6-119.7 121.5 37.8 57.4 24.2 93 93 A Y E +cd 70 120A 0 -24,-2.6 -22,-3.1 -2,-0.5 2,-0.4 -0.990 23.9 175.0-103.6 125.1 38.1 53.7 25.1 94 94 A V E -cd 71 121A 0 26,-2.4 28,-2.9 -2,-0.4 -22,-0.2 -0.991 31.4-110.5-131.2 144.6 41.6 52.5 24.2 95 95 A E E - d 0 122A 19 -24,-1.9 28,-0.1 -2,-0.4 -22,-0.1 -0.268 53.4 -70.8 -69.2 154.2 43.1 49.1 24.9 96 96 A K S S+ 0 0 17 26,-1.3 2,-0.2 25,-0.1 -1,-0.1 -0.434 105.3 62.8 -66.0 153.2 45.8 48.7 27.5 97 97 A P S S- 0 0 9 0, 0.0 3,-0.1 0, 0.0 25,-0.1 0.695 73.0-144.0 -56.4 143.2 49.3 49.9 27.4 98 98 A I S S- 0 0 1 223,-0.3 2,-0.2 1,-0.3 224,-0.1 0.896 75.6 -50.4 -48.0 -37.3 48.3 53.5 27.2 99 99 A S - 0 0 0 -21,-0.1 -1,-0.3 223,-0.0 -23,-0.1 -0.879 48.6-114.4-173.1-172.0 51.3 53.3 24.9 100 100 A V S S+ 0 0 20 -25,-0.4 2,-0.5 -2,-0.2 -24,-0.1 0.478 94.7 70.1-114.1 -13.5 54.9 52.0 25.2 101 101 A S S > S- 0 0 39 -26,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.861 73.2-142.5-106.5 132.1 56.7 55.3 25.0 102 102 A L H > S+ 0 0 44 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.923 103.9 59.5 -57.2 -40.7 56.5 57.8 27.9 103 103 A D H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.940 108.0 43.1 -51.8 -51.4 56.3 60.6 25.2 104 104 A H H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 112.8 53.5 -67.2 -35.0 53.2 59.1 23.7 105 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.949 110.9 45.8 -61.8 -45.0 51.7 58.5 27.2 106 106 A Q H X S+ 0 0 77 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.914 110.5 53.9 -67.8 -40.7 52.3 62.1 28.1 107 107 A R H X S+ 0 0 76 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.880 109.2 49.1 -56.7 -40.5 50.8 63.3 24.8 108 108 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.895 109.4 50.4 -69.6 -39.8 47.7 61.3 25.4 109 109 A D H X S+ 0 0 53 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.973 111.3 51.5 -60.3 -45.8 47.2 62.7 29.0 110 110 A Q H X S+ 0 0 87 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.950 109.1 46.6 -57.5 -54.5 47.6 66.2 27.5 111 111 A V H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.872 112.6 51.4 -62.2 -30.5 45.0 65.9 24.8 112 112 A I H X S+ 0 0 19 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.960 113.2 43.9 -72.7 -44.0 42.5 64.3 27.2 113 113 A K H < S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.924 116.5 49.7 -55.9 -45.5 43.1 67.2 29.7 114 114 A E H < S+ 0 0 130 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.928 120.1 32.1 -59.4 -54.5 42.9 69.7 26.8 115 115 A T H < S- 0 0 47 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.668 91.3-140.5 -83.9 -25.2 39.7 68.4 25.1 116 116 A G < + 0 0 46 -4,-2.1 -4,-0.1 -5,-0.3 -3,-0.1 0.421 46.5 147.2 78.9 -4.5 37.8 67.2 28.2 117 117 A V - 0 0 15 -5,-0.1 -1,-0.2 -27,-0.1 2,-0.1 -0.258 57.5 -92.9 -59.2 154.8 36.4 64.0 26.6 118 118 A K - 0 0 69 186,-0.1 -26,-3.3 195,-0.0 2,-0.3 -0.468 48.0-170.7 -66.8 138.9 35.8 60.9 28.7 119 119 A F E +d 92 0A 11 -28,-0.2 195,-0.4 -2,-0.1 2,-0.4 -0.997 17.2 175.2-143.7 129.6 38.7 58.4 28.7 120 120 A L E -d 93 0A 0 -28,-2.0 -26,-2.4 -2,-0.3 2,-0.6 -0.993 18.0-154.5-133.1 131.3 39.3 54.8 29.8 121 121 A C E -d 94 0A 0 195,-2.1 2,-1.1 -2,-0.4 -26,-0.2 -0.941 34.4-124.6 -96.8 114.8 42.5 52.8 29.2 122 122 A G E +d 95 0A 1 -28,-2.9 -26,-1.3 -2,-0.6 2,-0.5 -0.563 48.9 153.2 -79.9 101.1 41.2 49.2 29.4 123 123 A H > + 0 0 2 -2,-1.1 3,-0.5 -28,-0.1 4,-0.1 -0.940 20.4 176.5-109.1 97.1 43.0 47.1 32.0 124 124 A S G > + 0 0 4 -2,-0.5 3,-2.2 1,-0.2 4,-0.4 0.621 53.8 85.9 -89.8 -10.0 40.1 44.7 32.7 125 125 A S G > S+ 0 0 1 1,-0.3 3,-1.6 2,-0.2 6,-0.3 0.866 85.4 63.0 -61.4 -30.4 41.4 42.1 35.1 126 126 A R G < S+ 0 0 22 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.641 96.6 60.2 -65.3 -11.6 40.6 44.5 37.9 127 127 A R G < S+ 0 0 10 -3,-2.2 -1,-0.3 4,-0.1 -2,-0.2 0.530 78.0 114.6 -89.4 -12.1 36.9 44.1 36.9 128 128 A L S <> S- 0 0 0 -3,-1.6 4,-2.2 -4,-0.4 5,-0.3 -0.325 78.7-118.8 -60.6 150.0 36.8 40.4 37.4 129 129 A G H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 163,-0.2 0.846 114.9 53.2 -56.0 -38.2 34.5 39.2 40.2 130 130 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.892 108.2 47.9 -62.8 -43.5 37.5 37.8 42.0 131 131 A L H > S+ 0 0 0 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.920 113.4 47.6 -67.7 -42.5 39.5 41.0 41.9 132 132 A R H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.904 112.7 49.9 -61.1 -40.9 36.6 43.0 43.2 133 133 A K H X S+ 0 0 53 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.962 111.3 48.9 -64.7 -45.1 36.0 40.4 45.9 134 134 A X H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.905 109.2 52.2 -56.1 -45.1 39.7 40.6 46.9 135 135 A K H X S+ 0 0 46 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.884 109.6 50.2 -65.4 -33.1 39.6 44.4 47.0 136 136 A E H X S+ 0 0 103 -4,-2.0 4,-2.7 2,-0.2 6,-0.3 0.938 108.2 50.8 -73.2 -41.1 36.6 44.3 49.3 137 137 A X H <>S+ 0 0 0 -4,-2.2 5,-1.5 1,-0.2 6,-1.4 0.827 116.5 43.1 -62.0 -29.6 38.2 41.8 51.7 138 138 A I H ><5S+ 0 0 18 -4,-1.9 3,-0.9 3,-0.2 -2,-0.2 0.936 114.7 48.5 -79.4 -45.6 41.3 44.0 51.9 139 139 A D H 3<5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.823 117.5 41.3 -66.4 -37.0 39.3 47.3 52.1 140 140 A T T 3<5S- 0 0 84 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.378 108.1-127.2 -90.8 2.2 37.1 45.9 54.9 141 141 A K T X 5 + 0 0 104 -3,-0.9 3,-1.2 -5,-0.2 -3,-0.2 0.792 60.1 145.7 54.6 33.7 40.1 44.2 56.6 142 142 A E T 3 S+ 0 0 73 -2,-0.3 3,-1.6 79,-0.2 4,-0.5 0.145 76.3 119.9 -97.7 15.3 55.9 30.4 26.8 157 157 A R G >> S+ 0 0 117 1,-0.3 3,-0.6 76,-0.2 4,-0.6 0.836 70.6 54.3 -47.5 -44.7 56.0 33.2 24.2 158 158 A G G 34 S+ 0 0 0 76,-1.3 51,-0.4 -3,-0.3 52,-0.3 0.565 88.2 78.1 -75.7 -8.9 59.7 33.7 24.4 159 159 A L G <4 S+ 0 0 60 -3,-1.6 -1,-0.2 75,-0.5 -2,-0.1 0.861 107.6 22.3 -72.9 -37.2 60.9 30.2 23.7 160 160 A E T <4 S+ 0 0 97 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.521 89.2 140.2-108.5 1.3 60.5 29.9 19.9 161 161 A L < - 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0 0 72 1,-0.1 3,-0.1 3,-0.0 25,-0.1 -0.375 360.0-112.5 -57.6 109.4 79.5 0.6 67.1 352 4 B P - 0 0 60 0, 0.0 25,-0.3 0, 0.0 2,-0.2 -0.005 38.3 -92.4 -43.7 142.7 76.9 3.4 67.0 353 5 B V E -m 377 0C 2 23,-2.6 25,-1.8 -3,-0.1 2,-0.4 -0.416 31.9-127.4 -70.3 132.1 78.3 6.9 67.4 354 6 B G E +m 378 0C 6 -2,-0.2 62,-2.0 23,-0.2 61,-1.9 -0.652 38.6 179.4 -67.4 125.2 78.4 8.3 71.0 355 7 B V E -mn 379 416C 0 23,-3.0 25,-2.4 -2,-0.4 26,-0.8 -0.960 16.5-162.8-130.7 152.1 76.7 11.7 70.8 356 8 B A E -mn 381 417C 5 60,-2.4 62,-2.4 -2,-0.3 2,-0.4 -0.989 16.2-131.3-134.4 151.3 75.9 14.3 73.4 357 9 B A E -mn 382 418C 2 24,-1.3 26,-2.4 -2,-0.3 2,-0.4 -0.873 16.1-166.8-106.1 129.7 73.4 17.2 73.3 358 10 B I E +mn 383 419C 7 60,-3.5 62,-3.6 -2,-0.4 26,-0.2 -0.955 67.6 29.4-121.5 131.2 74.3 20.8 74.2 359 11 B G - 0 0 15 24,-2.0 -1,-0.1 -2,-0.4 25,-0.1 0.674 67.3-156.8 81.7 105.4 71.7 23.4 74.7 360 12 B L + 0 0 10 -3,-0.1 -1,-0.1 4,-0.1 33,-0.1 -0.301 46.3 126.3-118.7 48.3 68.6 21.6 76.0 361 13 B G S > S- 0 0 43 59,-0.5 4,-0.7 4,-0.0 3,-0.2 0.092 80.3 -60.7 -77.0-163.5 66.0 24.2 74.9 362 14 B R H >> S+ 0 0 89 1,-0.2 3,-1.9 2,-0.2 4,-1.2 0.947 132.8 46.0 -48.5 -64.2 62.9 23.5 72.8 363 15 B W H 3> S+ 0 0 54 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.761 99.4 70.9 -62.1 -26.8 64.5 22.3 69.6 364 16 B A H 3> S+ 0 0 3 1,-0.2 4,-1.7 56,-0.2 -1,-0.3 0.856 101.0 46.1 -60.1 -31.4 66.9 20.0 71.5 365 17 B Y H < S+ 0 0 4 -4,-1.3 3,-1.6 -3,-0.5 -2,-0.2 0.914 124.5 42.6 -88.7 -52.1 63.9 11.9 65.9 371 23 B Y H >< S+ 0 0 2 -4,-4.1 3,-2.9 1,-0.3 -3,-0.2 0.878 103.4 67.6 -69.9 -27.4 67.6 11.1 66.2 372 24 B T T 3< S+ 0 0 61 -4,-3.2 -1,-0.3 -5,-0.4 -3,-0.1 0.384 90.6 65.0 -76.0 12.2 67.1 8.9 69.3 373 25 B K T < S+ 0 0 111 -3,-1.6 -1,-0.3 -5,-0.1 2,-0.3 0.354 84.2 112.3 -93.5 -11.0 65.2 6.5 67.1 374 26 B S < - 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0 0 13 -2,-0.4 6,-0.1 18,-0.3 -2,-0.1 -0.894 50.5-118.3-131.7 159.0 72.7 22.8 80.0 385 37 B R S S+ 0 0 78 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.989 100.2 70.2 -47.5 -67.5 73.7 25.4 82.5 386 38 B T S >> S- 0 0 64 1,-0.1 4,-2.2 -3,-0.1 3,-1.0 -0.499 73.0-150.8 -65.7 103.9 70.6 24.7 84.6 387 39 B E H 3> S+ 0 0 58 -2,-0.4 4,-1.8 1,-0.3 -1,-0.1 0.681 98.2 55.7 -40.7 -41.5 70.6 21.3 86.3 388 40 B D H 3> S+ 0 0 114 2,-0.3 4,-3.0 1,-0.2 -1,-0.3 0.844 107.1 49.0 -72.2 -35.3 66.8 21.2 86.1 389 41 B K H <> S+ 0 0 112 -3,-1.0 4,-2.1 2,-0.2 5,-0.3 0.922 113.0 48.4 -61.7 -47.3 67.0 21.6 82.3 390 42 B R H X S+ 0 0 46 -4,-2.2 4,-1.9 1,-0.2 -2,-0.3 0.859 112.4 50.8 -63.4 -29.4 69.6 18.8 82.5 391 43 B E H X S+ 0 0 50 -4,-1.8 4,-3.3 -5,-0.2 5,-0.3 0.966 109.9 45.4 -72.7 -53.0 67.2 16.8 84.6 392 44 B K H X S+ 0 0 148 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.944 118.0 44.5 -55.5 -50.7 64.1 17.1 82.4 393 45 B F H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.950 115.4 47.3 -58.1 -53.2 66.1 16.3 79.3 394 46 B G H X>S+ 0 0 12 -4,-1.9 5,-1.1 -5,-0.3 4,-0.9 0.839 114.0 46.3 -66.9 -30.1 68.0 13.4 80.9 395 47 B K H ><5S+ 0 0 186 -4,-3.3 3,-0.8 1,-0.2 -1,-0.2 0.977 113.3 51.9 -71.0 -45.6 64.9 11.9 82.4 396 48 B R H 3<5S+ 0 0 147 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.826 122.2 26.9 -54.8 -39.4 63.1 12.3 79.1 397 49 B Y H 3<5S- 0 0 26 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.307 102.4-117.2-114.5 6.4 65.8 10.6 76.9 398 50 B N T <<5S+ 0 0 92 -4,-0.9 2,-0.2 -3,-0.8 -3,-0.2 0.974 71.2 122.2 62.5 50.4 67.4 8.2 79.4 399 51 B C < - 0 0 25 -5,-1.1 -18,-0.2 -6,-0.1 -1,-0.2 -0.796 62.4 -91.2-133.0-179.9 70.9 9.8 79.2 400 52 B A - 0 0 34 -20,-1.8 2,-0.4 -2,-0.2 -3,-0.1 -0.423 25.6-143.5 -86.1 167.9 73.4 11.3 81.6 401 53 B G - 0 0 39 -20,-0.2 2,-0.3 -2,-0.1 -18,-0.2 -0.974 15.9-148.7-123.7 135.4 73.7 15.0 82.6 402 54 B D - 0 0 24 -20,-2.2 -18,-0.3 -2,-0.4 -12,-0.0 -0.829 14.1-134.3-112.0 153.4 77.2 16.4 83.1 403 55 B A S S+ 0 0 69 -2,-0.3 2,-0.2 -20,-0.1 -1,-0.1 0.910 84.4 7.0 -61.1 -44.4 78.1 19.2 85.5 404 56 B T S > S- 0 0 53 1,-0.1 4,-1.6 -21,-0.0 5,-0.1 -0.816 73.1-108.6-140.2 163.2 80.3 21.2 83.1 405 57 B X H > S+ 0 0 13 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.855 117.0 59.2 -68.2 -32.3 81.3 21.3 79.4 406 58 B E H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.912 105.3 45.4 -62.8 -46.2 84.8 20.1 80.5 407 59 B A H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.959 111.9 53.4 -62.5 -48.3 83.5 16.9 82.1 408 60 B L H < S+ 0 0 8 -4,-1.6 -2,-0.2 1,-0.2 6,-0.2 0.921 111.2 45.1 -52.1 -45.5 81.3 16.1 79.1 409 61 B L H < S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.748 102.6 65.4 -78.9 -18.7 84.2 16.5 76.7 410 62 B A H < S+ 0 0 79 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.940 78.6 105.0 -59.4 -49.2 86.4 14.4 78.9 411 63 B R >< - 0 0 58 -4,-1.7 3,-2.0 1,-0.2 -3,-0.0 -0.106 59.1-161.9 -34.7 99.8 84.1 11.5 78.2 412 64 B E T 3 S+ 0 0 95 1,-0.3 -1,-0.2 -2,-0.0 -58,-0.1 0.909 87.1 73.6 -50.9 -42.4 85.8 9.2 75.7 413 65 B D T 3 S+ 0 0 77 2,-0.1 2,-0.6 -60,-0.0 -1,-0.3 0.593 80.0 86.0 -50.1 -18.2 82.3 7.9 75.0 414 66 B V < + 0 0 6 -3,-2.0 -59,-0.2 -6,-0.2 3,-0.1 -0.809 38.0 157.0 -99.3 123.0 81.4 11.1 73.1 415 67 B E S S+ 0 0 53 -61,-1.9 24,-2.5 -2,-0.6 2,-0.4 0.659 70.8 31.4-105.8 -33.7 82.3 11.2 69.4 416 68 B X E -no 355 439C 0 -62,-2.0 -60,-2.4 22,-0.2 -1,-0.3 -0.997 63.9-152.2-135.7 138.0 79.8 13.8 68.3 417 69 B V E -no 356 440C 3 22,-2.2 24,-1.4 -2,-0.4 2,-0.5 -0.739 8.9-149.1 -96.9 152.7 78.1 16.8 70.0 418 70 B I E -no 357 441C 2 -62,-2.4 -60,-3.5 -2,-0.3 2,-0.7 -0.942 18.5-157.8-125.9 103.7 74.7 18.1 69.0 419 71 B I E +no 358 442C 0 22,-2.9 24,-1.8 -2,-0.5 -60,-0.2 -0.726 29.7 157.5-100.1 116.3 74.6 21.8 69.6 420 72 B T + 0 0 13 -62,-3.6 -59,-0.5 -2,-0.7 -56,-0.2 -0.434 36.2 127.9-128.3 57.3 71.3 23.7 70.1 421 73 B V S S- 0 0 14 1,-0.1 22,-0.1 -61,-0.1 5,-0.1 -0.624 72.5 -62.0-100.5 164.0 72.5 26.8 71.8 422 74 B P > - 0 0 90 0, 0.0 3,-3.1 0, 0.0 4,-0.4 -0.299 50.4-118.3 -44.1 131.5 71.9 30.4 71.0 423 75 B N G > S+ 0 0 13 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.704 115.5 59.9 -44.2 -41.7 73.3 31.3 67.5 424 76 B D G 3 S+ 0 0 68 1,-0.3 -1,-0.3 23,-0.2 4,-0.2 0.588 106.8 49.2 -68.1 -17.0 75.6 33.8 69.1 425 77 B K G <> S+ 0 0 32 -3,-3.1 4,-1.5 2,-0.1 5,-0.3 0.324 81.9 93.4-104.8 -9.4 77.1 30.9 71.1 426 78 B H H <> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.4 5,-0.3 0.959 84.1 51.9 -54.0 -50.7 77.7 28.4 68.3 427 79 B A H > S+ 0 0 0 -4,-0.5 4,-2.9 1,-0.2 5,-0.3 0.941 109.6 43.3 -60.4 -52.1 81.3 29.5 67.7 428 80 B E H > S+ 0 0 122 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.870 117.8 47.9 -71.4 -22.1 82.8 29.3 71.1 429 81 B V H X S+ 0 0 11 -4,-1.5 4,-3.8 2,-0.2 -1,-0.2 0.900 113.7 45.4 -78.6 -43.0 81.0 25.9 71.8 430 82 B I H X S+ 0 0 0 -4,-2.8 4,-4.7 -5,-0.3 5,-0.3 0.962 116.2 47.2 -58.5 -52.1 82.0 24.5 68.4 431 83 B E H X S+ 0 0 25 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.974 113.9 47.7 -52.2 -58.4 85.6 25.8 69.0 432 84 B Q H < S+ 0 0 73 -4,-2.7 4,-0.4 -5,-0.3 -2,-0.2 0.927 119.6 40.7 -45.8 -52.4 85.4 24.3 72.6 433 85 B C H ><>S+ 0 0 0 -4,-3.8 5,-1.9 1,-0.2 3,-1.7 0.932 113.1 49.8 -69.4 -44.9 84.1 21.1 71.1 434 86 B A H ><5S+ 0 0 2 -4,-4.7 3,-1.5 1,-0.3 -1,-0.2 0.784 103.4 63.7 -65.5 -27.5 86.3 20.8 68.0 435 87 B R T 3<5S+ 0 0 150 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.533 101.9 49.7 -74.0 -13.3 89.4 21.4 70.2 436 88 B S T < 5S- 0 0 64 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.103 124.9-101.5-105.7 21.9 88.7 18.2 72.1 437 89 B G T < 5S+ 0 0 46 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.666 70.5 150.9 75.3 14.9 88.3 16.2 68.9 438 90 B K < - 0 0 15 -5,-1.9 -1,-0.2 -8,-0.1 -22,-0.2 -0.719 45.4-126.8 -90.7 130.5 84.5 16.0 68.9 439 91 B H E -o 416 0C 43 -24,-2.5 -22,-2.2 -2,-0.5 2,-0.4 -0.306 35.2-123.3 -63.5 152.3 82.7 15.8 65.5 440 92 B I E +op 417 467C 0 26,-2.2 28,-1.7 -24,-0.2 2,-0.4 -0.966 35.5 170.0-126.0 126.2 80.0 18.5 65.2 441 93 B Y E +op 418 468C 1 -24,-1.4 -22,-2.9 -2,-0.4 2,-0.3 -0.987 20.9 175.2-111.5 126.0 76.3 18.9 64.5 442 94 B V E -op 419 469C 0 26,-1.9 28,-2.7 -2,-0.4 -22,-0.2 -0.981 32.2-111.4-132.4 146.9 75.0 22.4 65.0 443 95 B E E - p 0 470C 43 -24,-1.8 28,-0.1 -2,-0.3 -22,-0.1 -0.358 56.0 -68.7 -73.0 154.6 71.5 23.7 64.3 444 96 B K S S+ 0 0 14 26,-0.9 2,-0.1 25,-0.1 -1,-0.1 -0.394 106.6 60.4 -65.2 159.7 71.1 26.2 61.5 445 97 B P S S- 0 0 4 0, 0.0 3,-0.1 0, 0.0 25,-0.1 0.764 74.2-143.2 -58.0 139.7 72.3 29.7 61.1 446 98 B I S S- 0 0 1 220,-0.3 2,-0.2 1,-0.2 221,-0.1 0.859 74.9 -40.7 -49.7 -38.2 75.9 28.6 61.5 447 99 B S - 0 0 0 219,-0.1 -1,-0.2 -21,-0.1 -23,-0.2 -0.875 53.2-113.2-165.9-175.7 76.0 31.9 63.4 448 100 B V S S+ 0 0 11 -2,-0.2 2,-0.3 -25,-0.2 -24,-0.1 0.523 95.7 60.5-106.0 -9.4 74.5 35.4 63.0 449 101 B S S > S- 0 0 37 1,-0.1 4,-1.9 71,-0.0 5,-0.2 -0.886 73.6-136.8-117.6 146.4 77.9 37.2 62.4 450 102 B L H > S+ 0 0 38 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.930 107.7 59.2 -61.4 -43.2 80.5 36.7 59.7 451 103 B D H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 108.0 44.7 -46.2 -55.4 83.2 36.9 62.4 452 104 B H H > S+ 0 0 39 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.848 113.9 48.1 -61.3 -40.6 81.7 33.9 64.1 453 105 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.906 110.0 51.9 -71.6 -41.7 81.1 31.8 61.0 454 106 B Q H X S+ 0 0 92 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.941 109.2 52.1 -55.0 -49.8 84.7 32.5 59.8 455 107 B R H X S+ 0 0 76 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.841 108.8 50.0 -56.7 -35.9 85.9 31.3 63.2 456 108 B I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.892 109.5 49.5 -72.6 -38.7 83.9 28.1 62.9 457 109 B D H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.964 110.6 52.9 -63.0 -42.7 85.2 27.3 59.4 458 110 B Q H X S+ 0 0 102 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.935 109.2 46.2 -57.9 -49.5 88.8 27.9 60.7 459 111 B V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.895 113.1 50.0 -66.1 -39.3 88.5 25.5 63.7 460 112 B I H X S+ 0 0 21 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.923 114.3 44.3 -64.0 -36.6 86.9 22.8 61.5 461 113 B K H < S+ 0 0 116 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.893 115.7 50.7 -78.1 -31.0 89.8 23.3 58.9 462 114 B E H < S+ 0 0 115 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.895 119.7 31.9 -59.5 -50.6 92.2 23.3 61.9 463 115 B T H < S- 0 0 53 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.656 89.4-136.6 -95.7 -22.1 91.0 20.2 63.6 464 116 B G < + 0 0 53 -4,-2.0 -4,-0.1 1,-0.3 -3,-0.1 0.202 53.2 141.4 83.4 -11.9 89.8 17.9 60.8 465 117 B V - 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