==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JUL-12 4G0K . COMPND 2 MOLECULE: PROTEIN YQJG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.R.GREEN,R.P.HAYES,L.XUN,C.KANG . 654 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 49 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 2 2 0 0 2 3 3 3 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 7 2 3 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 3 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 2 A G 0 0 33 0, 0.0 8,-0.4 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 155.3 -55.6 33.9 19.2 2 3 A Q - 0 0 22 9,-0.3 7,-2.3 6,-0.1 2,-0.5 0.516 360.0-111.2 -50.9-179.4 -59.2 33.1 18.3 3 4 A L E -AB 8 128A 1 125,-1.2 125,-0.5 5,-0.2 2,-0.4 -0.985 32.4-154.9-111.6 129.4 -60.9 30.3 16.3 4 5 A I E > -A 7 0A 49 3,-2.7 3,-4.7 -2,-0.5 123,-0.2 -0.959 63.3 -41.1-111.4 130.3 -62.4 31.7 13.1 5 6 A D T 3 S- 0 0 73 -2,-0.4 122,-0.2 1,-0.3 121,-0.2 0.587 128.6 -36.8 10.4 44.7 -65.4 29.9 11.5 6 7 A G T 3 S+ 0 0 15 120,-1.8 2,-0.4 1,-0.2 -1,-0.3 0.040 117.2 101.8 117.3 -19.8 -63.6 26.6 12.3 7 8 A V E < S-A 4 0A 88 -3,-4.7 -3,-2.7 118,-0.1 2,-0.3 -0.850 72.1-113.4-112.7 136.5 -59.9 27.4 11.8 8 9 A W E -A 3 0A 32 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.392 25.6-162.6 -62.9 119.7 -57.2 28.1 14.3 9 10 A H - 0 0 29 -7,-2.3 -7,-0.1 -8,-0.4 -1,-0.1 -0.417 2.6-164.9-118.7 62.6 -55.9 31.7 14.1 10 11 A D S S- 0 0 50 -2,-0.4 84,-0.2 -9,-0.1 -1,-0.2 0.475 76.6 -32.7 6.0 -74.5 -52.5 31.9 15.9 11 12 A T S S+ 0 0 102 1,-0.1 2,-0.9 -10,-0.1 -9,-0.3 0.539 115.0 89.2-126.2 -70.4 -52.4 35.7 16.1 12 13 A W - 0 0 151 1,-0.1 2,-0.5 -11,-0.1 -1,-0.1 -0.103 58.3-170.4 -38.9 80.0 -54.1 37.4 13.1 13 14 A Y - 0 0 124 -2,-0.9 -1,-0.1 1,-0.1 -11,-0.1 -0.668 51.8-110.1-114.9 74.7 -57.6 37.5 14.6 14 15 A D + 0 0 61 -2,-0.5 -1,-0.1 -12,-0.0 3,-0.1 -0.575 66.3 4.9-150.1 -61.6 -58.3 38.3 12.0 15 16 A T S S- 0 0 80 2,-0.3 2,-0.5 4,-0.3 -2,-0.0 -0.284 76.8-128.2-107.0 38.9 -59.5 40.8 9.2 16 17 A K S S+ 0 0 175 2,-0.1 -1,-0.3 4,-0.0 3,-0.0 -0.311 81.2 0.2 45.0-100.5 -59.4 43.6 11.8 17 18 A S S S+ 0 0 63 -2,-0.5 -2,-0.3 1,-0.1 4,-0.0 0.668 95.3 93.8 -75.6-117.1 -62.9 45.0 11.3 18 19 A T S S+ 0 0 126 2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.712 95.4 49.1 19.6 42.3 -65.2 43.3 8.6 19 20 A G S S- 0 0 56 -5,-0.0 -4,-0.3 -4,-0.0 2,-0.0 0.336 85.3 -95.3 117.5 118.7 -66.6 41.2 11.6 20 21 A G - 0 0 47 -2,-0.0 3,-0.3 0, 0.0 -3,-0.1 -0.567 45.6 -63.3 161.7 50.7 -67.6 41.6 14.4 21 22 A K S S- 0 0 169 1,-0.2 -4,-0.0 2,-0.1 0, 0.0 0.502 101.4 -74.0 62.0 7.4 -67.2 41.6 18.2 22 23 A F S S+ 0 0 109 106,-0.1 107,-0.3 3,-0.1 -1,-0.2 0.845 90.9 175.6 41.4 83.0 -66.3 38.0 17.8 23 24 A Q >> + 0 0 42 -3,-0.3 3,-2.5 2,-0.2 4,-1.1 0.753 28.4 38.6-174.2-157.6 -68.9 36.8 17.3 24 25 A R T 34 S+ 0 0 169 1,-0.3 104,-0.1 2,-0.2 -3,-0.1 0.652 124.4 57.9 -47.1 -7.0 -72.0 34.7 16.5 25 26 A S T >4 S+ 0 0 11 102,-0.5 3,-2.0 1,-0.1 -1,-0.3 0.690 79.9 76.8-101.6 -23.3 -69.8 32.6 18.6 26 27 A A T <4 + 0 0 58 -3,-2.5 -2,-0.2 1,-0.3 -1,-0.1 0.939 68.9 91.8 -39.7 -43.4 -69.7 35.0 21.5 27 28 A S T 3< S- 0 0 95 -4,-1.1 -1,-0.3 1,-0.1 3,-0.3 0.583 84.9-169.9 -32.9 -4.0 -73.2 33.5 21.9 28 29 A A < - 0 0 33 -3,-2.0 2,-0.5 -5,-0.2 -1,-0.1 0.336 31.6 -74.7 41.4-170.1 -70.8 31.3 24.1 29 30 A F + 0 0 27 -3,-0.1 117,-1.7 2,-0.1 118,-0.3 -0.971 63.0 158.6-117.3 109.5 -71.7 28.0 25.7 30 31 A R B +C 145 0B 86 -2,-0.5 115,-0.2 -3,-0.3 2,-0.2 -0.406 14.4 137.9-138.0 53.7 -73.9 29.0 28.5 31 32 A N - 0 0 22 113,-2.7 2,-0.5 12,-0.1 12,-0.2 -0.541 45.3-123.9 -91.1 169.2 -76.0 26.1 29.5 32 33 A W - 0 0 35 12,-0.7 2,-0.6 10,-0.3 15,-0.4 -0.941 2.3-139.6-119.6 131.7 -76.7 25.0 33.0 33 34 A L - 0 0 3 -2,-0.5 2,-0.3 13,-0.1 15,-0.2 -0.780 39.0-177.5 -72.0 120.2 -76.1 21.7 34.8 34 35 A T B -g 48 0C 23 13,-2.2 15,-2.4 -2,-0.6 3,-0.3 -0.870 38.7-115.9-121.6 159.9 -79.4 21.5 36.9 35 36 A A S S+ 0 0 61 -2,-0.3 -1,-0.1 1,-0.2 13,-0.1 0.871 116.1 26.6 -62.1 -31.2 -80.6 18.9 39.4 36 37 A D S S- 0 0 117 12,-0.1 -1,-0.2 2,-0.1 12,-0.2 0.383 111.1-108.0-115.9 -0.7 -83.5 17.8 37.2 37 38 A G S S+ 0 0 12 10,-0.4 9,-4.2 -3,-0.3 10,-0.4 0.385 70.2 140.5 85.6 -1.5 -82.2 18.7 33.7 38 39 A A - 0 0 39 7,-0.2 -1,-0.3 8,-0.1 9,-0.2 -0.373 62.5 -94.2 -55.8 151.7 -84.5 21.6 33.2 39 40 A P - 0 0 74 0, 0.0 6,-0.2 0, 0.0 4,-0.1 -0.376 37.2-129.5 -63.6 146.8 -82.7 24.5 31.4 40 41 A G - 0 0 23 4,-0.5 -8,-0.1 2,-0.5 -6,-0.1 0.091 48.2 -69.7 -67.4-164.3 -81.1 27.2 33.4 41 42 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 0.625 122.6 29.0 -61.4 -25.4 -81.6 31.0 32.9 42 43 A T S S+ 0 0 52 -12,-0.1 -2,-0.5 2,-0.1 -10,-0.3 -0.870 109.7 13.1-135.2 169.9 -79.7 30.6 29.6 43 44 A G S S- 0 0 53 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.1 -0.196 93.3 -52.0 65.8-154.6 -79.0 27.9 27.0 44 45 A T - 0 0 100 1,-0.1 -12,-0.7 -6,-0.1 -4,-0.5 -0.604 47.4-106.7-114.8-179.2 -81.1 24.6 26.8 45 46 A G S S+ 0 0 20 -6,-0.2 -7,-0.2 -2,-0.2 -1,-0.1 -0.139 75.7 83.1 -93.0-176.1 -82.2 21.8 29.2 46 47 A G + 0 0 38 -9,-4.2 2,-0.7 1,-0.1 -1,-0.2 0.539 55.1 114.0 94.6 7.4 -81.1 18.2 29.3 47 48 A F + 0 0 14 -10,-0.4 -13,-2.2 -15,-0.4 -10,-0.4 -0.633 45.9 176.1-105.8 71.6 -78.0 18.7 31.4 48 49 A I B -g 34 0C 61 -2,-0.7 -13,-0.2 -15,-0.2 2,-0.2 -0.545 37.7-105.9 -81.3 138.3 -79.2 16.8 34.4 49 50 A A + 0 0 7 -15,-2.4 2,-0.3 109,-0.2 -1,-0.1 -0.401 61.0 141.5 -57.6 133.7 -76.8 16.4 37.2 50 51 A E > - 0 0 71 -2,-0.2 3,-0.7 30,-0.1 4,-0.5 -0.986 49.4 -86.7-173.9 161.8 -75.5 12.8 37.3 51 52 A K T 3 S+ 0 0 124 -2,-0.3 29,-0.2 1,-0.2 30,-0.0 -0.220 100.7 9.3 -72.1 158.7 -72.5 10.5 37.9 52 53 A D T 3 S+ 0 0 128 27,-0.5 -1,-0.2 1,-0.2 28,-0.1 0.491 105.5 88.7 58.1 6.5 -70.0 9.6 35.1 53 54 A R S < S+ 0 0 10 -3,-0.7 85,-2.4 27,-0.2 86,-0.5 0.778 71.4 63.2-103.9 -33.5 -71.3 12.1 32.5 54 55 A Y E -dE 81 137B 1 26,-0.6 28,-1.0 -4,-0.5 2,-0.3 -0.743 52.3-172.8-113.9 150.6 -69.5 15.4 33.0 55 56 A H E -dE 82 136B 0 81,-2.9 81,-3.6 -2,-0.3 2,-0.5 -0.952 14.1-142.1-140.3 148.4 -65.8 16.5 32.7 56 57 A L E -dE 83 135B 0 26,-2.3 28,-2.3 -2,-0.3 2,-0.7 -0.947 5.4-160.2-120.1 124.3 -63.9 19.7 33.4 57 58 A Y E +dE 84 134B 0 77,-3.4 77,-2.5 -2,-0.5 2,-0.3 -0.928 29.8 164.5-103.8 118.2 -61.1 20.9 31.3 58 59 A V E -d 85 0B 0 26,-2.6 28,-2.4 -2,-0.7 2,-0.4 -0.863 39.8-133.8-128.2 156.6 -58.9 23.4 33.3 59 60 A S - 0 0 0 -2,-0.3 28,-0.1 26,-0.2 26,-0.0 -0.937 16.4-147.4 -96.2 143.2 -55.6 25.2 33.4 60 61 A L S S+ 0 0 21 -2,-0.4 227,-0.6 26,-0.3 231,-0.2 0.426 96.8 52.8 -78.5 -6.5 -53.9 25.0 36.8 61 62 A A S S+ 0 0 0 229,-0.2 -1,-0.2 225,-0.1 234,-0.1 0.702 88.4 85.3-103.1 -29.5 -52.4 28.5 36.2 62 63 A C > - 0 0 9 1,-0.1 4,-1.0 232,-0.0 229,-0.0 -0.452 66.7-146.3 -70.9 139.4 -55.5 30.5 35.4 63 64 A P H > S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.782 98.4 58.1 -84.7 -17.9 -57.6 32.0 38.3 64 65 A W H >> S+ 0 0 63 1,-0.2 3,-1.1 2,-0.2 4,-0.9 0.994 110.6 42.5 -65.1 -60.0 -60.9 31.5 36.3 65 66 A A H >> S+ 0 0 0 67,-0.3 4,-1.5 1,-0.2 3,-0.7 0.861 107.3 63.3 -43.6 -43.2 -60.3 27.8 36.0 66 67 A H H 3X S+ 0 0 1 -4,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.858 94.5 62.0 -61.4 -33.3 -59.1 27.6 39.7 67 68 A R H S+ 0 0 36 -4,-2.4 5,-2.8 -5,-0.2 6,-0.4 0.894 112.7 40.6 -61.5 -39.5 -65.3 20.9 43.0 73 74 A K H ><5S+ 0 0 30 -4,-1.8 3,-1.2 3,-0.2 -2,-0.2 0.936 113.0 50.4 -75.1 -49.2 -63.5 20.2 46.3 74 75 A L H 3<5S+ 0 0 22 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.876 115.3 45.2 -60.1 -30.9 -65.6 22.1 48.7 75 76 A K T 3<5S- 0 0 1 -4,-2.3 90,-2.1 -5,-0.2 -1,-0.3 0.538 108.4-123.0 -91.4 -2.3 -68.7 20.5 47.3 76 77 A G T < 5 + 0 0 7 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.935 61.5 145.6 67.2 41.4 -67.3 16.9 47.2 77 78 A L >>< + 0 0 0 -5,-2.8 3,-1.7 -6,-0.2 4,-1.0 0.336 32.7 103.8 -92.5 5.8 -67.9 16.6 43.5 78 79 A E G >4 S+ 0 0 63 -6,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.862 75.9 57.4 -58.5 -40.5 -64.8 14.5 42.7 79 80 A P G 34 S+ 0 0 71 0, 0.0 -27,-0.5 0, 0.0 -1,-0.3 0.698 117.2 35.8 -59.1 -20.1 -66.9 11.3 42.3 80 81 A F G <4 S+ 0 0 16 -3,-1.7 -26,-0.6 1,-0.2 2,-0.4 0.427 115.5 55.0-109.6 -8.9 -68.9 13.0 39.6 81 82 A I E << -d 54 0B 1 -4,-1.0 -1,-0.2 -3,-0.5 -26,-0.2 -0.857 58.5-167.8-143.6 110.2 -66.4 15.1 37.9 82 83 A S E -d 55 0B 39 -28,-1.0 -26,-2.3 -2,-0.4 2,-0.4 -0.506 18.5-143.2 -94.6 158.6 -63.2 14.0 36.4 83 84 A V E -d 56 0B 34 -28,-0.2 2,-0.4 -2,-0.2 -26,-0.2 -0.936 15.9-166.0-133.7 138.8 -60.6 16.6 35.3 84 85 A S E -d 57 0B 0 -28,-2.3 -26,-2.6 -2,-0.4 2,-0.7 -0.997 16.1-151.6-120.5 137.8 -58.0 17.2 32.6 85 86 A V E -d 58 0B 14 -2,-0.4 20,-1.3 21,-0.3 21,-0.8 -0.892 9.3-143.1-113.0 111.8 -55.4 19.8 33.0 86 87 A V - 0 0 0 -28,-2.4 -26,-0.3 -2,-0.7 11,-0.2 0.153 37.5 -82.4 -52.1-174.2 -53.9 21.5 30.0 87 88 A N B -H 96 0D 4 9,-1.8 9,-0.6 2,-0.1 -1,-0.1 -0.808 34.1-126.5-102.4 140.7 -50.3 22.5 29.8 88 89 A P S S+ 0 0 0 0, 0.0 2,-0.7 0, 0.0 210,-0.1 0.719 85.6 87.2 -54.8 -30.2 -49.2 25.8 31.5 89 90 A L - 0 0 36 7,-0.1 2,-1.4 1,-0.1 -2,-0.1 -0.674 63.9-157.3 -95.8 106.8 -47.6 27.1 28.6 90 91 A M + 0 0 68 -2,-0.7 4,-0.2 204,-0.3 5,-0.2 -0.679 25.0 171.5 -91.0 88.3 -49.6 29.0 26.0 91 92 A L - 0 0 67 -2,-1.4 3,-0.4 3,-0.5 -1,-0.0 0.387 57.9 -59.5 -64.4-154.4 -47.6 28.7 22.8 92 93 A E S S+ 0 0 120 1,-0.3 2,-0.5 3,-0.0 3,-0.1 0.650 133.8 54.1 -74.7 -24.5 -48.8 29.8 19.3 93 94 A N S S- 0 0 26 1,-0.3 -1,-0.3 -84,-0.1 -2,-0.2 -0.587 105.1-123.3-109.2 70.4 -51.8 27.4 19.4 94 95 A G S S+ 0 0 9 -2,-0.5 -3,-0.5 -3,-0.4 -1,-0.3 0.322 75.2 9.7 21.1-139.7 -53.4 28.5 22.7 95 96 A W S S- 0 0 22 35,-0.4 20,-1.0 -5,-0.2 21,-0.5 -0.282 76.9-161.1 -72.0 152.3 -54.0 25.9 25.4 96 97 A T B -HI 87 114D 7 -9,-0.6 -9,-1.8 18,-0.2 18,-0.3 -0.886 30.7-137.3-137.6 153.6 -52.4 22.6 24.7 97 98 A F + 0 0 8 16,-3.9 2,-0.1 -2,-0.3 17,-0.1 0.418 53.2 141.4 -96.0 11.7 -52.6 18.9 25.8 98 99 A D - 0 0 72 15,-0.3 3,-0.4 1,-0.2 8,-0.2 -0.267 33.0-168.1 -50.2 115.3 -48.8 18.5 26.0 99 100 A D + 0 0 109 1,-0.2 -1,-0.2 6,-0.2 5,-0.1 0.250 56.4 104.4 -99.9 14.1 -48.3 16.4 29.1 100 101 A S + 0 0 89 2,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.853 67.5 78.9 -56.9 -38.2 -44.5 16.7 29.5 101 102 A F S > S- 0 0 39 -3,-0.4 3,-2.3 1,-0.1 189,-0.0 -0.621 96.5-105.2 -80.1 125.4 -45.0 19.1 32.4 102 103 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.224 107.8 21.2 -54.4 141.6 -45.9 17.4 35.8 103 104 A G T 3 S+ 0 0 42 1,-0.2 2,-0.5 -4,-0.1 -18,-0.1 0.055 95.2 112.7 79.1 -22.2 -49.6 17.9 36.7 104 105 A A < - 0 0 8 -3,-2.3 -1,-0.2 -5,-0.1 -18,-0.2 -0.777 46.9-176.3 -78.6 119.0 -50.4 18.5 32.9 105 106 A T - 0 0 64 -20,-1.3 -6,-0.2 -2,-0.5 -19,-0.1 0.514 23.9-129.6-103.1 -10.3 -52.4 15.4 32.1 106 107 A G - 0 0 10 -21,-0.8 2,-1.0 -8,-0.2 -21,-0.3 -0.058 60.0 -39.8 73.2 171.5 -53.2 15.5 28.3 107 108 A D > - 0 0 4 5,-0.7 4,-1.5 1,-0.2 -1,-0.1 -0.615 58.5-165.8 -69.3 95.6 -56.9 15.0 27.1 108 109 A T T 4 S+ 0 0 73 -2,-1.0 -1,-0.2 2,-0.2 -2,-0.1 0.320 82.6 35.0 -67.2 4.7 -58.0 12.3 29.4 109 110 A L T 4 S+ 0 0 32 3,-0.1 -1,-0.1 -54,-0.0 -2,-0.1 0.697 134.2 9.1-122.0 -67.0 -61.0 11.7 27.2 110 111 A Y T 4 S- 0 0 58 2,-0.0 -2,-0.2 0, 0.0 -3,-0.0 0.075 82.8-133.9-109.2 14.3 -60.3 12.2 23.5 111 112 A Q < + 0 0 148 -4,-1.5 -3,-0.1 1,-0.1 -14,-0.0 0.730 45.3 161.4 16.7 47.9 -56.5 12.6 23.4 112 113 A N - 0 0 36 1,-0.1 -5,-0.7 3,-0.0 -1,-0.1 -0.293 41.7-132.3 -65.7-179.0 -56.6 15.5 21.2 113 114 A E S S+ 0 0 123 1,-0.2 -16,-3.9 -7,-0.1 2,-0.4 0.869 82.4 41.2-100.7 -47.3 -53.6 17.8 21.1 114 115 A F B >> -I 96 0D 29 -18,-0.3 3,-2.1 -17,-0.1 4,-0.8 -0.900 68.5-135.4-114.2 130.7 -55.1 21.2 21.5 115 116 A L H >> S+ 0 0 0 -20,-1.0 4,-1.3 -2,-0.4 3,-0.9 0.915 106.9 65.7 -39.1 -51.6 -57.9 22.5 23.7 116 117 A Y H 3> S+ 0 0 31 -21,-0.5 4,-1.2 1,-0.2 -1,-0.3 0.728 93.1 61.9 -48.9 -25.6 -59.3 24.4 20.6 117 118 A Q H <> S+ 0 0 44 -3,-2.1 4,-3.0 2,-0.2 3,-0.4 0.936 97.8 55.6 -66.0 -49.8 -60.0 20.9 19.1 118 119 A L H < S+ 0 0 44 -4,-1.2 3,-1.2 -3,-0.4 -2,-0.2 0.869 104.1 58.2 -75.8 -40.8 -64.3 22.1 17.3 121 122 A H H 3< S+ 0 0 95 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.651 113.8 41.6 -58.0 -20.5 -65.5 18.5 18.3 122 123 A A T 3< S+ 0 0 17 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.260 134.9 17.0-108.2 -0.4 -68.5 20.4 19.8 123 124 A D X - 0 0 47 -3,-1.2 3,-1.3 -5,-0.1 -1,-0.3 -0.452 54.9-162.1-179.4 104.0 -68.6 22.7 16.9 124 125 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.829 99.9 37.2 -52.3 -41.6 -67.1 22.4 13.4 125 126 A H T 3 S+ 0 0 119 -119,-0.1 -120,-0.2 -5,-0.1 -119,-0.1 -0.140 80.9 156.4-114.3 37.9 -67.6 26.1 12.8 126 127 A Y < - 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0 0 5 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.665 30.5-115.1 -92.2 157.3 -37.3 44.2 49.4 591 264 B I G > S+ 0 0 0 -2,-0.3 3,-2.4 1,-0.2 7,-0.4 0.909 114.9 68.5 -55.8 -39.4 -34.6 46.1 51.3 592 265 B S G 3 S+ 0 0 39 1,-0.3 -1,-0.2 49,-0.1 50,-0.0 0.524 91.0 64.7 -62.9 -5.4 -37.3 47.4 53.7 593 266 B D G < S+ 0 0 77 -3,-1.7 2,-0.5 5,-0.0 -1,-0.3 0.587 87.6 77.5 -85.3 -27.8 -37.7 43.8 54.9 594 267 B Y S <> S- 0 0 27 -3,-2.4 4,-1.6 -4,-0.4 5,-0.2 -0.833 70.7-151.0 -86.0 131.9 -34.2 43.7 56.4 595 268 B L H > S+ 0 0 122 -2,-0.5 4,-2.0 3,-0.2 -1,-0.2 0.947 93.5 33.0 -60.7 -55.9 -33.9 45.5 59.8 596 269 B N H > S+ 0 0 17 2,-0.2 4,-3.3 3,-0.2 5,-0.2 0.929 119.5 47.9 -72.8 -49.8 -30.2 46.5 59.4 597 270 B L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.940 116.3 46.2 -58.9 -42.9 -30.0 47.0 55.7 598 271 B Y H X S+ 0 0 31 -4,-1.6 4,-2.0 -7,-0.4 -1,-0.2 0.932 112.3 50.9 -69.2 -41.0 -33.1 49.1 55.8 599 272 B G H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.964 111.6 47.5 -51.4 -59.8 -31.7 51.0 58.9 600 273 B F H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 5,-0.4 0.919 108.5 55.2 -40.0 -53.6 -28.4 51.7 57.1 601 274 B L H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.910 113.3 41.1 -52.2 -45.6 -30.3 52.9 54.0 602 275 B R H X S+ 0 0 24 -4,-2.0 4,-2.4 -3,-0.2 -1,-0.2 0.836 111.6 58.9 -76.3 -32.7 -32.3 55.5 56.1 603 276 B D H X S+ 0 0 4 -4,-2.5 4,-1.3 2,-0.2 3,-0.4 0.999 111.2 36.7 -59.6 -71.7 -29.2 56.4 58.1 604 277 B I H >< S+ 0 0 2 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.889 116.0 57.1 -46.1 -40.7 -27.0 57.5 55.1 605 278 B Y H 3< S+ 0 0 34 -4,-1.7 6,-0.7 -5,-0.4 5,-0.3 0.890 105.4 50.0 -58.7 -43.2 -30.1 59.0 53.4 606 279 B Q H 3< S+ 0 0 62 -4,-2.4 -1,-0.2 -3,-0.4 -2,-0.2 0.736 81.6 114.8 -78.2 -15.6 -30.9 61.2 56.4 607 280 B M S XX S- 0 0 46 -4,-1.3 3,-2.1 -3,-0.5 4,-0.6 -0.202 87.6 -84.0 -46.6 141.7 -27.3 62.6 56.5 608 281 B P T 34 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.291 111.1 6.6 -70.6 139.0 -27.5 66.3 55.7 609 282 B G T 34 S+ 0 0 24 -3,-0.1 4,-0.2 1,-0.1 -2,-0.1 0.520 102.4 102.0 68.2 7.1 -27.5 67.2 52.1 610 283 B I T X4 S+ 0 0 0 -3,-2.1 3,-1.6 -5,-0.3 4,-0.1 0.888 71.5 59.0 -84.4 -36.1 -27.7 63.5 51.0 611 284 B A G >< S+ 0 0 39 -6,-0.7 3,-1.3 -4,-0.6 -1,-0.1 0.752 98.8 59.4 -58.1 -26.7 -31.4 63.4 50.2 612 285 B E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.717 96.8 61.2 -84.0 -14.5 -31.0 66.1 47.6 613 286 B T G < S+ 0 0 10 -3,-1.6 2,-0.6 -4,-0.2 -1,-0.3 0.406 91.1 83.6 -86.1 4.3 -28.6 64.0 45.7 614 287 B V < + 0 0 16 -3,-1.3 2,-0.6 -4,-0.1 -225,-0.1 -0.937 53.2 177.1-111.4 113.1 -31.4 61.4 45.3 615 288 B N > - 0 0 42 -2,-0.6 4,-3.1 -227,-0.6 5,-0.1 -0.865 8.0-175.5-113.6 102.5 -33.8 61.9 42.4 616 289 B F H > S+ 0 0 51 -2,-0.6 4,-3.8 1,-0.2 5,-0.3 0.897 83.6 59.7 -66.9 -37.9 -36.3 59.1 42.1 617 290 B D H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.939 111.1 40.0 -48.8 -52.7 -37.8 60.5 38.9 618 291 B H H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.940 115.9 53.4 -65.9 -41.2 -34.5 60.2 37.1 619 292 B I H X S+ 0 0 0 -4,-3.1 4,-1.9 -231,-0.2 -2,-0.2 0.967 117.8 34.5 -55.6 -47.8 -33.9 56.9 38.8 620 293 B R H X>S+ 0 0 35 -4,-3.8 4,-2.3 2,-0.2 5,-0.5 0.963 117.1 49.4 -81.4 -48.7 -37.2 55.5 37.6 621 294 B N H X5S+ 0 0 24 -4,-2.7 4,-1.7 -5,-0.3 5,-0.3 0.929 111.8 53.6 -51.0 -41.1 -37.6 57.1 34.2 622 295 B H H X5S+ 0 0 11 -4,-2.0 4,-1.3 -5,-0.5 -204,-0.3 0.977 114.9 34.5 -60.3 -59.8 -34.1 56.0 33.4 623 296 B Y H X5S+ 0 0 0 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.2 0.828 124.4 41.0 -62.9 -36.3 -34.3 52.3 34.2 624 297 B F H <5S+ 0 0 0 -4,-2.3 10,-0.3 -5,-0.2 11,-0.2 0.930 121.8 39.1 -81.0 -43.9 -37.9 51.7 33.1 625 298 B R H <X + 0 0 17 -4,-0.8 3,-3.0 -5,-0.3 4,-2.6 -0.369 48.0 153.4 -92.8 56.1 -34.1 49.3 28.9 628 301 B K T 34 + 0 0 105 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.805 68.1 72.3 -54.1 -26.2 -36.5 48.3 26.1 629 302 B T T 34 S+ 0 0 93 -3,-0.3 -1,-0.3 1,-0.2 -324,-0.1 0.784 117.9 17.7 -50.3 -25.1 -34.5 45.1 25.8 630 303 B I T <4 S+ 0 0 17 -3,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.655 132.6 38.0-130.5 -32.6 -36.3 44.2 29.1 631 304 B N >< + 0 0 6 -4,-2.6 3,-2.6 1,-0.1 4,-0.2 -0.572 64.3 179.1-125.7 71.5 -39.3 46.3 29.6 632 305 B P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.720 79.1 57.2 -46.8 -23.8 -40.7 46.6 26.0 633 306 B T T 3 S- 0 0 40 -331,-0.2 -431,-0.1 2,-0.1 3,-0.1 0.752 91.7-141.6 -81.5 -27.8 -43.5 48.7 27.4 634 307 B G < + 0 0 13 -3,-2.6 2,-0.6 -10,-0.3 -9,-0.1 0.738 47.2 154.5 62.4 24.1 -41.6 51.5 29.1 635 308 B I - 0 0 6 -11,-0.2 2,-0.7 -4,-0.2 -1,-0.3 -0.734 39.5-142.3 -83.8 124.8 -44.2 51.4 31.8 636 309 B I - 0 0 21 -2,-0.6 -15,-0.1 -3,-0.1 -16,-0.0 -0.819 22.3-122.7 -86.4 119.4 -42.8 52.6 35.1 637 310 B S - 0 0 2 -2,-0.7 -379,-0.1 1,-0.1 -380,-0.1 -0.061 18.9-114.4 -55.6 155.6 -44.1 50.5 38.1 638 311 B I - 0 0 58 -381,-0.8 -1,-0.1 -379,-0.1 -378,-0.1 0.886 61.4-132.7 -57.3 -36.3 -46.0 52.1 40.9 639 312 B G - 0 0 9 -382,-0.2 3,-0.1 2,-0.0 -60,-0.1 0.350 19.3 -65.8 93.6 133.7 -43.0 51.1 43.0 640 313 B P - 0 0 11 0, 0.0 -379,-0.2 0, 0.0 2,-0.1 -0.190 59.0-105.2 -48.5 137.2 -42.6 49.4 46.4 641 314 B W + 0 0 149 -381,-2.2 2,-0.3 2,-0.0 -49,-0.1 -0.395 53.1 152.5 -64.9 144.1 -43.8 51.4 49.4 642 315 B Q - 0 0 39 -3,-0.1 2,-0.4 -2,-0.1 3,-0.1 -0.872 35.2-155.3-171.3 143.4 -41.1 53.0 51.6 643 316 B D > - 0 0 61 -2,-0.3 3,-0.5 1,-0.1 -41,-0.1 -0.945 10.4-177.8-123.4 106.3 -40.5 56.0 53.9 644 317 B L T 3 S+ 0 0 9 -2,-0.4 -38,-0.1 1,-0.2 -1,-0.1 0.613 78.6 66.7 -83.0 -9.0 -36.8 56.9 54.0 645 318 B D T 3 + 0 0 104 2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.724 67.2 119.6 -87.1 -23.9 -37.5 59.6 56.6 646 319 B E S < S- 0 0 98 -3,-0.5 -3,-0.0 1,-0.1 -44,-0.0 -0.216 78.6-107.0 -30.5 111.6 -38.5 57.2 59.3 647 320 B P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.275 33.9-162.9 -49.2 135.7 -36.0 57.8 62.2 648 321 B H - 0 0 35 -46,-0.1 -45,-0.1 -3,-0.1 -2,-0.1 0.585 12.0-147.3-103.7 -18.8 -33.6 54.9 62.4 649 322 B G > + 0 0 32 1,-0.1 4,-2.8 3,-0.1 5,-0.2 0.599 57.2 127.9 58.6 13.4 -31.9 54.9 65.7 650 323 B R H > S+ 0 0 1 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.699 71.4 58.5 -72.5 -17.5 -28.6 53.5 64.3 651 324 B D H 4 S+ 0 0 88 2,-0.2 -1,-0.2 1,-0.1 -96,-0.1 0.912 112.0 38.5 -73.6 -48.9 -26.8 56.4 66.0 652 325 B V H 4 S+ 0 0 122 1,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.975 112.9 56.5 -56.8 -62.0 -28.1 55.4 69.4 653 326 B R H < S+ 0 0 105 -4,-2.8 2,-0.5 1,-0.1 -1,-0.2 0.797 90.9 105.5 -45.5 -35.7 -27.8 51.6 68.9 654 327 B F < 0 0 44 -4,-0.9 -100,-0.1 -5,-0.2 -1,-0.1 -0.885 360.0 360.0-118.8 133.3 -24.1 51.9 68.1 655 328 B G 0 0 121 -2,-0.5 -101,-0.0 -102,-0.1 -4,-0.0 -0.032 360.0 360.0-130.8 360.0 -22.1 51.1 69.8