==== 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 ISOMERASE 09-OCT-00 1G0T . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.W.HAEBEL,P.METCALF . 431 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.5 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 . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 0 0 2 0 2 3 1 5 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 3 9 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 D >> 0 0 120 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 166.1 7.2 24.3 -17.6 2 2 A D H 3> + 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 360.0 60.9 -56.0 -40.3 9.0 21.5 -15.9 3 3 A A H 3> S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 104.2 50.4 -56.6 -38.6 12.0 21.5 -18.3 4 4 A A H <> S+ 0 0 10 -3,-0.7 4,-2.0 37,-0.3 -1,-0.2 0.942 111.3 47.0 -66.4 -46.1 12.8 25.1 -17.3 5 5 A I H X S+ 0 0 1 -4,-1.5 4,-2.5 36,-0.3 -2,-0.2 0.906 112.5 50.2 -62.1 -42.0 12.7 24.4 -13.6 6 6 A Q H X S+ 0 0 71 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.825 107.7 53.2 -67.0 -32.6 14.9 21.3 -14.0 7 7 A Q H X S+ 0 0 137 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.908 111.0 47.7 -68.1 -40.1 17.5 23.2 -16.0 8 8 A T H X S+ 0 0 11 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.940 114.5 44.6 -65.2 -48.7 17.7 25.8 -13.2 9 9 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 3,-0.9 0.891 111.3 52.8 -63.6 -41.8 18.0 23.2 -10.5 10 10 A A H ><5S+ 0 0 71 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.883 102.4 62.1 -61.2 -36.2 20.6 21.1 -12.5 11 11 A K H 3<5S+ 0 0 119 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.766 109.1 39.7 -58.4 -31.2 22.6 24.4 -12.9 12 12 A M T <<5S- 0 0 69 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.248 120.1-106.5-102.8 8.5 23.0 24.6 -9.1 13 13 A G T < 5 + 0 0 65 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.969 68.4 149.9 65.4 51.6 23.6 20.9 -8.6 14 14 A I < - 0 0 24 -5,-2.1 2,-0.8 -8,-0.1 -1,-0.2 -0.978 41.7-142.7-121.7 126.2 20.2 20.2 -7.0 15 15 A K - 0 0 159 -2,-0.5 18,-1.0 -5,-0.0 2,-0.2 -0.774 24.3-128.3 -90.0 108.8 18.4 16.9 -7.4 16 16 A S E -A 32 0A 38 -2,-0.8 16,-0.2 1,-0.2 3,-0.1 -0.368 21.8-171.8 -56.9 120.6 14.7 17.5 -7.8 17 17 A S E - 0 0 72 14,-2.0 15,-0.2 1,-0.3 2,-0.2 0.794 70.0 -31.9 -83.7 -30.3 12.9 15.4 -5.2 18 18 A D E -A 31 0A 54 13,-1.5 13,-2.2 -3,-0.1 2,-0.8 -0.724 49.6-131.9 172.1 136.5 9.5 16.4 -6.7 19 19 A I E +A 30 0A 32 11,-0.2 11,-0.2 -2,-0.2 -17,-0.0 -0.833 34.9 173.8-103.5 101.8 7.8 19.3 -8.5 20 20 A Q E -A 29 0A 66 9,-2.2 9,-1.6 -2,-0.8 -2,-0.1 -0.557 34.0 -92.3-102.2 167.2 4.4 20.0 -7.0 21 21 A P E -A 28 0A 82 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.268 35.2-139.8 -73.0 163.4 1.9 22.8 -7.6 22 22 A A - 0 0 22 5,-0.6 5,-0.1 2,-0.2 4,-0.1 -0.944 19.3-127.4-127.8 148.8 1.8 26.1 -5.7 23 23 A P S S+ 0 0 69 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.465 96.4 78.4 -71.1 1.3 -1.1 28.2 -4.3 24 24 A V S > S- 0 0 11 3,-0.2 3,-1.3 232,-0.0 -2,-0.2 -0.953 89.0-118.1-115.2 128.4 0.6 31.1 -6.2 25 25 A A T 3 S+ 0 0 87 -2,-0.5 3,-0.1 1,-0.2 16,-0.0 -0.237 93.3 25.6 -63.0 149.2 0.2 31.4 -9.9 26 26 A G T 3 S+ 0 0 39 1,-0.2 15,-3.2 -4,-0.1 16,-0.3 0.440 111.2 77.2 79.4 -2.2 3.3 31.2 -12.1 27 27 A M E < - B 0 40A 2 -3,-1.3 -5,-0.6 13,-0.3 2,-0.3 -0.945 61.7-142.0-140.9 164.2 5.3 29.1 -9.7 28 28 A K E -AB 21 39A 54 11,-2.5 11,-1.9 -2,-0.3 2,-0.5 -0.910 22.2-121.1-124.5 149.1 5.7 25.6 -8.4 29 29 A T E -AB 20 38A 3 -9,-1.6 -9,-2.2 -2,-0.3 2,-0.5 -0.778 35.5-162.1 -85.0 129.8 6.4 24.2 -4.9 30 30 A V E -AB 19 37A 0 7,-2.9 7,-2.2 -2,-0.5 2,-0.6 -0.918 12.6-158.0-125.9 110.8 9.7 22.2 -5.3 31 31 A L E +AB 18 36A 22 -13,-2.2 -14,-2.0 -2,-0.5 -13,-1.5 -0.732 30.8 164.8 -84.4 119.5 10.8 19.6 -2.8 32 32 A T E > -AB 16 35A 4 3,-3.9 3,-2.6 -2,-0.6 -16,-0.2 -0.796 56.7 -95.1-131.4 173.6 14.6 19.1 -3.1 33 33 A N T 3 S+ 0 0 75 -18,-1.0 3,-0.1 1,-0.3 -17,-0.1 0.748 130.6 50.0 -57.2 -25.1 17.6 17.7 -1.4 34 34 A S T 3 S- 0 0 77 1,-0.4 2,-0.3 -19,-0.1 -1,-0.3 0.423 123.3-112.6 -92.8 -2.2 18.1 21.2 -0.1 35 35 A G E < -B 32 0A 1 -3,-2.6 -3,-3.9 2,-0.0 2,-0.5 -0.812 62.1 -10.1 111.1-150.0 14.4 21.2 1.0 36 36 A V E +B 31 0A 18 -2,-0.3 13,-1.0 -5,-0.2 2,-0.3 -0.810 61.3 165.1 -98.9 126.3 11.5 23.2 -0.2 37 37 A L E -BC 30 48A 7 -7,-2.2 -7,-2.9 -2,-0.5 2,-0.5 -0.869 31.8-130.1-130.1 162.0 11.9 26.1 -2.6 38 38 A Y E -BC 29 47A 1 9,-2.0 9,-2.7 -2,-0.3 2,-0.4 -0.976 27.5-176.6-116.3 126.4 9.5 28.0 -4.8 39 39 A I E -BC 28 46A 0 -11,-1.9 -11,-2.5 -2,-0.5 7,-0.2 -0.991 26.2-118.6-127.5 133.7 10.6 28.4 -8.4 40 40 A T E > -B 27 0A 6 5,-2.2 3,-1.9 -2,-0.4 -13,-0.3 -0.227 34.4-106.4 -63.3 157.8 8.8 30.3 -11.1 41 41 A D T 3 S+ 0 0 43 -15,-3.2 -36,-0.3 1,-0.3 -37,-0.3 0.748 121.0 52.1 -59.5 -25.7 7.5 28.3 -14.1 42 42 A D T 3 S- 0 0 83 -16,-0.3 -1,-0.3 -38,-0.1 -2,-0.1 0.434 108.4-124.6 -90.7 0.1 10.3 29.7 -16.3 43 43 A G S < S+ 0 0 1 -3,-1.9 -2,-0.1 2,-0.2 227,-0.1 0.542 80.5 116.6 70.3 6.8 13.0 28.8 -13.8 44 44 A K + 0 0 100 1,-0.1 226,-2.0 227,-0.1 227,-0.7 0.784 69.3 44.4 -78.8 -26.6 14.2 32.4 -13.7 45 45 A H E - D 0 269A 13 224,-0.2 -5,-2.2 225,-0.2 2,-0.4 -0.960 57.4-170.1-129.5 141.8 13.4 33.0 -10.0 46 46 A I E -CD 39 268A 8 222,-2.4 222,-3.2 -2,-0.4 2,-0.4 -0.979 3.8-175.0-124.9 133.8 13.8 31.1 -6.8 47 47 A I E -CD 38 267A 1 -9,-2.7 -9,-2.0 -2,-0.4 2,-0.3 -0.987 20.8-136.5-131.5 120.0 12.3 32.1 -3.4 48 48 A Q E -C 37 0A 85 218,-1.7 217,-2.3 -2,-0.4 -11,-0.2 -0.570 44.0-133.6 -77.0 136.9 13.2 30.2 -0.3 49 49 A G S S+ 0 0 20 -13,-1.0 2,-0.1 -2,-0.3 -1,-0.1 0.199 71.7 138.2 -71.5-162.9 10.2 29.5 1.9 50 50 A P - 0 0 35 0, 0.0 214,-2.4 0, 0.0 2,-0.4 0.553 46.5-159.6 -83.8 171.2 8.2 29.1 3.8 51 51 A M E -F 263 0B 0 212,-0.2 11,-1.4 -2,-0.1 12,-1.0 -0.884 5.1-155.8-108.6 140.5 5.1 30.4 2.2 52 52 A Y E -FG 262 61B 59 210,-2.4 210,-2.1 -2,-0.4 2,-0.8 -0.946 15.0-142.7-121.5 138.8 2.0 31.4 4.2 53 53 A D E +FG 261 60B 48 7,-2.3 7,-1.4 -2,-0.4 208,-0.2 -0.889 28.4 170.7 -93.2 112.1 -1.6 31.5 3.2 54 54 A V + 0 0 15 206,-3.6 207,-0.2 -2,-0.8 -1,-0.1 -0.059 48.1 97.0-117.0 32.9 -2.7 34.7 5.0 55 55 A S S S+ 0 0 69 205,-0.4 -1,-0.1 3,-0.1 206,-0.1 0.718 77.7 65.5 -90.0 -23.5 -6.1 35.1 3.5 56 56 A G S S- 0 0 52 2,-0.3 4,-0.0 -3,-0.2 157,-0.0 0.189 107.0 -81.1 -81.7-158.3 -7.8 33.4 6.5 57 57 A T S S+ 0 0 143 1,-0.2 156,-0.1 156,-0.2 -1,-0.0 0.861 114.3 21.6 -76.3 -37.0 -8.2 34.3 10.1 58 58 A A S S- 0 0 49 155,-0.1 -2,-0.3 -5,-0.1 -1,-0.2 -0.955 94.0 -93.8-132.2 151.1 -4.7 33.0 11.0 59 59 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.286 34.6-154.9 -63.3 145.3 -1.6 32.4 8.9 60 60 A V E -G 53 0B 33 -7,-1.4 -7,-2.3 131,-0.0 2,-1.6 -0.990 15.4-134.5-127.1 125.4 -1.0 28.9 7.5 61 61 A N E > -G 52 0B 23 -2,-0.4 4,-1.7 -9,-0.2 3,-0.4 -0.617 23.3-176.7 -78.1 91.1 2.4 27.5 6.7 62 62 A V H > S+ 0 0 21 -2,-1.6 4,-2.3 -11,-1.4 -1,-0.2 0.790 81.4 59.4 -61.7 -26.7 1.6 26.0 3.3 63 63 A T H > S+ 0 0 7 -12,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.924 108.5 44.6 -65.9 -42.3 5.1 24.7 3.1 64 64 A N H > S+ 0 0 3 -3,-0.4 4,-1.1 -13,-0.3 -2,-0.2 0.791 109.1 56.3 -71.3 -27.4 4.5 22.7 6.3 65 65 A K H < S+ 0 0 108 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.912 111.1 45.2 -68.3 -41.3 1.1 21.7 4.9 66 66 A M H >< S+ 0 0 58 -4,-2.3 3,-1.9 1,-0.2 4,-0.4 0.917 108.3 54.7 -67.0 -46.7 3.0 20.2 1.9 67 67 A L H >X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.3 3,-1.4 0.757 85.4 84.5 -60.5 -24.8 5.7 18.6 4.0 68 68 A L H 3X S+ 0 0 22 -4,-1.1 4,-2.8 1,-0.3 -1,-0.3 0.726 82.5 62.9 -50.5 -20.9 2.9 16.8 5.9 69 69 A K H <> S+ 0 0 130 -3,-1.9 4,-1.0 2,-0.2 -1,-0.3 0.932 105.8 42.9 -69.5 -44.8 3.1 14.3 3.0 70 70 A Q H <4 S+ 0 0 77 -3,-1.4 4,-0.4 -4,-0.4 -2,-0.2 0.874 114.5 51.5 -66.9 -38.2 6.7 13.6 4.1 71 71 A L H >< S+ 0 0 3 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.940 109.1 48.0 -66.0 -47.0 5.6 13.5 7.7 72 72 A N H >< S+ 0 0 77 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.743 101.7 66.7 -66.1 -20.0 2.7 11.1 7.1 73 73 A A T 3< S+ 0 0 72 -4,-1.0 3,-0.3 1,-0.2 -1,-0.3 0.693 99.2 52.4 -72.6 -15.7 5.2 9.0 5.1 74 74 A L T X S+ 0 0 17 -3,-1.8 3,-1.7 -4,-0.4 -1,-0.2 0.340 71.7 116.2-100.4 5.8 7.0 8.4 8.4 75 75 A E G X S+ 0 0 83 -3,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.824 76.9 50.0 -42.8 -42.3 3.9 7.2 10.3 76 76 A K G 3 S+ 0 0 182 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.767 105.1 55.8 -72.1 -27.1 5.4 3.7 10.7 77 77 A E G < S+ 0 0 49 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 0.235 90.4 106.8 -88.3 13.8 8.7 5.0 12.2 78 78 A M S < S- 0 0 5 -3,-1.1 2,-0.9 -4,-0.2 43,-0.2 -0.692 70.7-136.1 -95.9 147.1 6.7 6.8 14.8 79 79 A I E -K 120 0C 0 41,-1.3 41,-2.7 -2,-0.3 2,-0.4 -0.912 33.8-161.5-100.5 105.0 6.5 5.8 18.4 80 80 A V E -K 119 0C 53 -2,-0.9 2,-0.6 39,-0.2 39,-0.2 -0.792 22.5-169.4 -97.5 130.9 2.8 6.3 19.0 81 81 A Y E -K 118 0C 22 37,-2.8 37,-1.6 -2,-0.4 -2,-0.0 -0.804 26.6-150.8-118.0 83.5 1.2 6.6 22.4 82 82 A K - 0 0 117 -2,-0.6 35,-0.1 35,-0.2 34,-0.1 -0.262 5.9-133.4 -60.3 135.0 -2.5 6.3 21.5 83 83 A A > - 0 0 0 5,-0.2 3,-1.1 1,-0.1 34,-0.1 -0.754 13.0-135.3 -88.9 133.6 -5.1 8.0 23.6 84 84 A P T 3 S+ 0 0 105 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.939 107.2 32.1 -54.5 -50.0 -8.0 5.7 24.5 85 85 A Q T 3 S- 0 0 145 27,-0.5 32,-0.0 -3,-0.1 -2,-0.0 -0.549 95.7-156.4-105.5 64.7 -10.6 8.5 23.7 86 86 A E < + 0 0 88 -3,-1.1 30,-0.2 -2,-0.7 3,-0.1 -0.169 33.8 151.7 -46.0 117.0 -8.4 10.1 20.9 87 87 A K + 0 0 129 28,-3.7 2,-0.3 1,-0.4 29,-0.2 0.477 67.2 25.1-124.3 -15.8 -9.6 13.7 20.6 88 88 A H E -l 116 0C 17 27,-1.9 29,-2.7 2,-0.0 -1,-0.4 -0.983 61.5-158.8-147.9 151.1 -6.3 15.3 19.4 89 89 A V E +l 117 0C 49 -2,-0.3 99,-0.4 27,-0.2 2,-0.3 -0.991 16.7 172.9-136.4 126.5 -3.3 13.9 17.5 90 90 A I E -l 118 0C 3 27,-2.5 29,-2.4 -2,-0.4 2,-0.5 -0.973 24.3-142.5-134.3 147.3 0.1 15.7 17.6 91 91 A T E -lM 119 186C 4 95,-1.8 95,-3.0 -2,-0.3 2,-0.4 -0.929 21.7-165.6-107.5 133.7 3.5 14.7 16.4 92 92 A V E -lM 120 185C 2 27,-3.0 29,-1.9 -2,-0.5 2,-0.7 -0.981 17.6-142.8-126.0 127.0 6.4 15.7 18.6 93 93 A F E -lM 121 184C 0 91,-2.4 91,-1.5 -2,-0.4 2,-0.3 -0.777 36.3-177.4 -84.6 119.7 10.0 15.8 17.8 94 94 A T E -l 122 0C 0 27,-2.4 29,-2.6 -2,-0.7 2,-0.4 -0.774 26.6-152.1-120.7 164.2 11.8 14.7 20.9 95 95 A D > - 0 0 0 -2,-0.3 3,-2.8 27,-0.2 6,-0.3 -0.959 12.2-149.1-136.5 114.6 15.3 14.2 22.2 96 96 A I T 3 S+ 0 0 25 -2,-0.4 -1,-0.1 1,-0.3 26,-0.0 0.578 102.0 55.2 -60.4 -7.8 15.9 11.6 24.9 97 97 A T T 3 S+ 0 0 65 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.317 87.3 102.9-104.1 3.4 18.8 13.8 26.2 98 98 A C <> - 0 0 8 -3,-2.8 4,-1.5 1,-0.1 3,-0.3 -0.794 64.3-149.0 -93.8 124.3 16.4 16.8 26.6 99 99 A G H > S+ 0 0 60 -2,-0.5 4,-1.8 1,-0.2 3,-0.4 0.913 99.5 47.4 -55.5 -46.9 15.3 17.6 30.1 100 100 A Y H > S+ 0 0 141 82,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.778 106.8 56.8 -67.7 -27.8 12.0 19.0 28.9 101 101 A S H > S+ 0 0 0 -3,-0.3 4,-2.1 -6,-0.3 -1,-0.2 0.811 107.7 50.3 -72.6 -27.9 11.3 16.0 26.6 102 102 A H H X S+ 0 0 69 -4,-1.5 4,-2.2 -3,-0.4 -2,-0.2 0.896 109.1 49.6 -74.2 -42.7 11.7 13.8 29.7 103 103 A K H X S+ 0 0 108 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.854 112.6 48.9 -66.3 -33.1 9.3 15.8 31.7 104 104 A L H >< S+ 0 0 5 -4,-1.7 3,-1.5 2,-0.2 -2,-0.2 0.966 112.5 46.0 -69.4 -52.4 6.7 15.7 28.9 105 105 A H H >< S+ 0 0 20 -4,-2.1 3,-2.1 1,-0.3 4,-0.2 0.841 102.3 65.8 -58.5 -36.8 7.1 11.9 28.4 106 106 A E H 3< S+ 0 0 138 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.769 105.8 44.4 -58.3 -24.0 6.8 11.4 32.2 107 107 A Q T XX S+ 0 0 43 -3,-1.5 4,-1.8 -4,-0.5 3,-1.1 0.229 75.5 122.7-106.3 14.0 3.2 12.7 31.9 108 108 A M H <> S+ 0 0 14 -3,-2.1 4,-2.9 1,-0.3 5,-0.2 0.826 72.0 53.6 -43.2 -47.4 2.3 10.7 28.8 109 109 A A H 3> S+ 0 0 73 -4,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.881 106.5 52.7 -60.0 -39.1 -0.7 9.0 30.5 110 110 A D H <> S+ 0 0 89 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.958 111.0 46.2 -61.8 -49.3 -2.1 12.4 31.6 111 111 A Y H ><>S+ 0 0 1 -4,-1.8 5,-2.4 1,-0.2 3,-0.5 0.937 114.3 48.3 -55.9 -48.9 -2.0 13.6 28.0 112 112 A N H ><5S+ 0 0 25 -4,-2.9 3,-1.1 1,-0.2 -27,-0.5 0.812 108.7 55.2 -62.3 -29.4 -3.5 10.4 26.8 113 113 A A H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 102.7 55.0 -74.7 -27.4 -6.2 10.8 29.5 114 114 A L T <<5S- 0 0 54 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.249 129.3 -98.3 -87.2 13.0 -7.1 14.2 28.2 115 115 A G T < 5S+ 0 0 0 -3,-1.1 -28,-3.7 1,-0.2 -27,-1.9 0.689 78.2 140.5 80.9 21.4 -7.6 12.6 24.8 116 116 A I E < - 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p 0 304D 0 -5,-2.7 2,-0.5 -29,-0.2 -1,-0.2 -0.843 36.7-161.0-101.5 118.0 39.2 55.4 2.0 333 117 B T E - p 0 305D 1 -29,-2.5 -27,-2.3 -2,-0.6 2,-0.5 -0.845 11.5-154.8 -95.1 127.3 36.1 57.5 2.1 334 118 B V E -Op 297 306D 1 -37,-1.9 -37,-3.1 -2,-0.5 2,-0.6 -0.911 8.0-167.1-108.6 127.6 34.0 56.7 5.2 335 119 B R E -Op 296 307D 43 -29,-2.1 -27,-2.9 -2,-0.5 -39,-0.2 -0.944 15.3-148.5-115.7 111.4 30.2 57.3 5.1 336 120 B Y E +Op 295 308D 0 -41,-2.9 -41,-1.7 -2,-0.6 2,-0.3 -0.550 19.0 177.3 -86.2 143.7 28.6 57.2 8.6 337 121 B L E - p 0 309D 0 -29,-2.3 -27,-2.3 -2,-0.2 2,-0.2 -0.955 37.1-106.9-133.4 145.8 25.1 56.1 9.5 338 122 B A E + p 0 310D 0 -2,-0.3 -27,-0.2 -29,-0.2 52,-0.2 -0.560 35.9 172.4 -80.5 140.8 23.9 56.0 13.1 339 123 B F - 0 0 6 -29,-2.2 2,-0.7 -2,-0.2 45,-0.1 -0.621 15.2-160.8-149.1 84.8 23.4 52.8 15.0 340 124 B P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 -29,-0.1 -0.553 6.2-157.1 -69.8 107.8 22.7 53.1 18.7 341 125 B R T 3 S+ 0 0 115 -2,-0.7 3,-0.1 1,-0.3 -30,-0.0 0.839 94.0 56.2 -54.6 -35.6 23.6 49.7 20.2 342 126 B Q T 3 S- 0 0 126 1,-0.3 -1,-0.3 -3,-0.1 5,-0.1 0.152 113.6-124.4 -83.8 17.8 21.3 50.5 23.1 343 127 B G X - 0 0 10 -3,-2.2 3,-1.0 2,-0.1 6,-0.4 -0.010 49.6 -20.7 70.7-173.7 18.4 51.1 20.7 344 128 B L T 3 S+ 0 0 73 1,-0.2 3,-0.1 -3,-0.1 4,-0.1 -0.287 124.0 24.1 -69.9 154.0 16.1 54.1 20.2 345 129 B D T 3 S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.461 91.0 133.8 71.0 1.8 15.6 56.8 22.9 346 130 B S S <> S- 0 0 16 -3,-1.0 4,-2.6 1,-0.1 -1,-0.2 -0.320 75.0-106.9 -74.8 165.0 19.0 55.8 24.4 347 131 B D H > S+ 0 0 123 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.902 123.4 51.7 -59.7 -39.6 21.4 58.6 25.3 348 132 B A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 109.8 48.0 -62.5 -44.9 23.5 57.6 22.3 349 133 B E H > S+ 0 0 16 -6,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.896 111.4 50.8 -64.4 -39.9 20.5 57.8 20.0 350 134 B K H X S+ 0 0 111 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.775 112.4 46.3 -70.9 -25.1 19.6 61.2 21.4 351 135 B E H X S+ 0 0 76 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.842 113.5 46.9 -84.8 -36.1 23.1 62.6 20.9 352 136 B M H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.888 105.4 61.1 -70.9 -37.8 23.5 61.3 17.4 353 137 B K H X S+ 0 0 52 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.899 106.5 47.2 -53.0 -41.9 20.1 62.7 16.5 354 138 B A H X S+ 0 0 9 -4,-0.8 4,-0.6 2,-0.2 3,-0.3 0.891 112.4 49.8 -67.9 -40.1 21.5 66.1 17.4 355 139 B I H >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.936 110.6 47.2 -63.9 -50.1 24.6 65.5 15.3 356 140 B W H 3< S+ 0 0 4 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.620 112.3 53.7 -68.8 -11.7 22.8 64.3 12.2 357 141 B b H 3< S+ 0 0 15 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.526 86.7 102.5 -99.2 -8.8 20.5 67.3 12.6 358 142 B A S << S- 0 0 18 -3,-1.1 3,-0.3 -4,-0.6 19,-0.1 -0.280 82.7-113.1 -71.9 161.6 23.2 70.0 12.7 359 143 B K S S+ 0 0 206 1,-0.3 2,-1.0 16,-0.2 3,-0.1 0.989 111.1 34.9 -56.6 -65.7 24.1 72.1 9.7 360 144 B D S > S- 0 0 81 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 -0.813 71.8-173.7 -96.3 99.6 27.5 70.7 9.2 361 145 B K H > S+ 0 0 52 -2,-1.0 4,-2.7 -3,-0.3 5,-0.3 0.925 84.1 52.5 -58.8 -47.5 27.2 67.0 10.1 362 146 B N H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 113.0 45.0 -55.3 -46.3 31.0 66.4 9.7 363 147 B K H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 112.4 50.4 -65.6 -43.2 31.7 69.3 12.0 364 148 B A H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.924 111.5 48.1 -61.8 -44.6 29.1 68.3 14.6 365 149 B F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.938 110.3 52.4 -61.8 -46.9 30.4 64.7 14.7 366 150 B D H X S+ 0 0 68 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.912 109.1 50.4 -55.5 -45.0 34.0 65.9 15.1 367 151 B D H ><>S+ 0 0 19 -4,-2.3 5,-1.4 1,-0.2 3,-0.5 0.926 110.2 47.9 -62.0 -45.9 33.0 68.1 18.0 368 152 B V H ><5S+ 0 0 27 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.905 111.7 48.8 -62.5 -43.1 31.1 65.3 19.9 369 153 B M H 3<5S+ 0 0 36 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.655 110.9 53.9 -69.8 -14.4 34.0 62.8 19.5 370 154 B A T <<5S- 0 0 74 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.541 122.8-112.0 -92.4 -12.3 36.1 65.7 20.7 371 155 B G T < 5S+ 0 0 67 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.050 75.5 132.1 103.2 -24.6 33.9 66.0 23.8 372 156 B K < - 0 0 122 -5,-1.4 -1,-0.4 -6,-0.2 -2,-0.2 -0.281 61.3-113.0 -62.8 143.9 32.5 69.4 22.7 373 157 B S - 0 0 106 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.373 30.4-138.0 -73.2 157.3 28.8 69.8 22.9 374 158 B V - 0 0 11 -2,-0.1 -19,-0.1 -7,-0.1 -10,-0.0 -0.902 22.4-103.6-120.6 149.9 26.9 70.3 19.6 375 159 B A - 0 0 78 -2,-0.3 -16,-0.2 1,-0.1 -11,-0.0 -0.577 48.6-144.0 -72.5 95.0 24.1 72.7 18.7 376 160 B P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.444 21.3-169.9 -42.4-169.2 21.1 70.2 18.7 377 161 B A - 0 0 46 -19,-0.1 2,-0.3 2,-0.1 -19,-0.1 -0.975 34.7-126.7 179.9 167.9 18.2 70.3 16.3 378 162 B S + 0 0 122 -2,-0.3 2,-0.1 -21,-0.2 -24,-0.1 -0.711 54.0 147.2-128.6 75.1 14.8 69.2 15.2 379 163 B b - 0 0 51 -2,-0.3 -22,-0.1 -26,-0.2 -2,-0.1 -0.203 62.6 -92.6-100.1-167.4 15.3 68.2 11.6 380 164 B D S S+ 0 0 140 -2,-0.1 2,-0.2 -23,-0.1 -23,-0.1 0.541 84.9 112.6 -87.3 -6.4 13.8 65.5 9.3 381 165 B V - 0 0 12 -28,-0.1 2,-0.5 -25,-0.1 -2,-0.2 -0.465 47.0-166.2 -71.3 132.4 16.4 62.8 10.1 382 166 B D >> - 0 0 80 -2,-0.2 3,-1.9 1,-0.1 4,-0.8 -0.945 12.8-158.6-123.4 110.8 15.2 59.8 12.0 383 167 B I H 3> S+ 0 0 0 -2,-0.5 4,-3.1 1,-0.3 3,-0.3 0.822 90.1 71.8 -53.7 -34.6 17.9 57.5 13.5 384 168 B A H 3> S+ 0 0 26 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.824 92.6 57.0 -51.3 -35.4 15.3 54.7 13.6 385 169 B D H <> S+ 0 0 81 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.953 110.9 41.7 -62.0 -49.5 15.6 54.5 9.8 386 170 B H H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.3 -2,-0.2 0.950 116.6 49.6 -60.6 -50.7 19.4 54.0 10.1 387 171 B Y H X S+ 0 0 61 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.908 111.1 48.0 -54.8 -49.9 18.9 51.6 13.0 388 172 B A H X S+ 0 0 53 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.876 112.8 48.2 -62.7 -39.2 16.3 49.5 11.2 389 173 B L H X S+ 0 0 9 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.870 110.3 52.2 -70.9 -35.1 18.3 49.2 8.0 390 174 B G H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.5 0.970 110.4 47.3 -62.1 -53.3 21.4 48.2 10.0 391 175 B V H ><5S+ 0 0 75 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.926 111.2 52.1 -51.7 -49.5 19.4 45.5 11.7 392 176 B Q H 3<5S+ 0 0 48 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.854 107.3 53.7 -56.3 -36.3 18.0 44.4 8.4 393 177 B L H 3<5S- 0 0 23 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.485 126.1 -98.7 -79.2 -4.1 21.6 44.3 7.0 394 178 B G T <<5S+ 0 0 46 -3,-1.9 -3,-0.2 -4,-0.5 -2,-0.1 0.488 70.9 152.2 100.3 4.0 22.8 42.0 9.8 395 179 B V < + 0 0 11 -5,-2.4 -1,-0.3 -6,-0.2 3,-0.1 -0.334 7.4 146.7 -67.8 150.3 24.4 44.6 12.0 396 180 B S + 0 0 98 1,-0.5 2,-0.3 -57,-0.0 -1,-0.2 0.345 63.1 32.7-153.1 -31.6 24.5 44.0 15.7 397 181 B G S S- 0 0 30 2,-0.1 -1,-0.5 -88,-0.0 14,-0.2 -0.801 86.0 -72.8-129.5 171.0 27.7 45.6 17.0 398 182 B T S S+ 0 0 17 -2,-0.3 -82,-0.2 1,-0.1 14,-0.2 -0.952 97.8 29.6-130.4 149.7 29.8 48.7 16.1 399 183 B P S S+ 0 0 1 0, 0.0 12,-2.2 0, 0.0 2,-0.4 0.572 74.2 176.9 -79.2 158.2 31.6 49.7 14.1 400 184 B A E -QR 309 410D 0 -91,-1.8 -91,-2.7 10,-0.2 2,-0.5 -0.996 17.4-147.0-128.2 127.0 30.1 47.7 11.2 401 185 B V E -QR 308 409D 1 8,-2.1 8,-3.1 -2,-0.4 2,-0.5 -0.814 8.7-165.9 -98.1 129.1 31.3 48.1 7.7 402 186 B V E -QR 307 408D 0 -95,-3.0 -95,-2.2 -2,-0.5 6,-0.2 -0.953 14.1-147.0-112.3 129.4 29.0 47.8 4.7 403 187 B L > - 0 0 7 4,-3.2 3,-2.4 -2,-0.5 -97,-0.1 -0.428 30.7 -95.5 -92.8 169.9 30.6 47.4 1.2 404 188 B S T 3 S+ 0 0 103 -99,-0.3 -1,-0.1 1,-0.3 -98,-0.1 0.875 124.8 49.1 -48.3 -46.3 29.3 48.6 -2.2 405 189 B N T 3 S- 0 0 61 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.368 126.3 -98.4 -79.3 7.0 27.7 45.2 -3.0 406 190 B G S < S+ 0 0 11 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.344 71.4 153.2 94.3 -7.1 26.0 45.1 0.4 407 191 B T - 0 0 59 -5,-0.1 -4,-3.2 1,-0.1 2,-0.4 -0.394 35.0-144.8 -62.1 126.5 28.5 42.9 2.0 408 192 B L E -R 402 0D 40 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.764 17.6-176.9 -94.8 136.1 28.6 43.4 5.8 409 193 B V E -R 401 0D 26 -8,-3.1 -8,-2.1 -2,-0.4 -14,-0.0 -0.834 17.6-149.7-135.1 91.9 31.9 43.1 7.6 410 194 B P E +R 400 0D 84 0, 0.0 -10,-0.2 0, 0.0 -12,-0.1 -0.282 52.2 43.3 -61.5 146.7 31.4 43.6 11.4 411 195 B G S S- 0 0 30 -12,-2.2 2,-0.3 -14,-0.2 -10,-0.2 -0.030 80.8 -75.3 105.2 156.7 34.2 45.1 13.3 412 196 B Y - 0 0 38 -14,-0.2 -95,-0.1 -12,-0.1 -96,-0.0 -0.656 37.3-173.2 -90.8 144.5 36.9 47.8 13.4 413 197 B Q - 0 0 35 -2,-0.3 -2,-0.0 3,-0.0 5,-0.0 -0.998 27.3-115.9-138.1 132.4 40.0 47.5 11.3 414 198 B P > - 0 0 36 0, 0.0 4,-3.3 0, 0.0 5,-0.2 -0.276 39.6 -98.0 -65.2 160.0 43.0 49.9 11.5 415 199 B P H > S+ 0 0 7 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.900 120.8 44.5 -41.9 -63.0 43.7 52.0 8.4 416 200 B K H > S+ 0 0 155 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 118.5 44.0 -52.7 -47.9 46.5 49.8 6.9 417 201 B E H > S+ 0 0 102 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.893 114.1 50.9 -65.0 -40.2 44.6 46.6 7.5 418 202 B M H X S+ 0 0 1 -4,-3.3 4,-3.0 2,-0.2 5,-0.2 0.970 112.8 45.1 -61.3 -54.0 41.4 48.2 6.3 419 203 B K H X S+ 0 0 48 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.923 115.2 47.9 -55.3 -48.0 43.1 49.4 3.0 420 204 B E H X S+ 0 0 104 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.940 113.0 49.6 -58.0 -48.3 44.7 46.0 2.6 421 205 B F H X S+ 0 0 59 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.893 111.6 46.7 -57.7 -47.6 41.4 44.3 3.2 422 206 B L H X S+ 0 0 6 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.869 111.2 52.0 -65.7 -37.8 39.4 46.5 0.7 423 207 B D H X S+ 0 0 43 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.937 112.5 45.1 -65.0 -45.9 42.1 46.1 -2.0 424 208 B E H X S+ 0 0 73 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.883 112.9 51.8 -64.2 -38.6 42.0 42.3 -1.6 425 209 B H H X S+ 0 0 38 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.896 109.5 48.7 -64.4 -42.5 38.2 42.3 -1.6 426 210 B Q H X S+ 0 0 106 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.859 111.6 50.8 -66.9 -35.1 38.0 44.3 -4.7 427 211 B K H X>S+ 0 0 92 -4,-1.9 5,-2.8 2,-0.2 4,-1.0 0.966 113.5 43.1 -66.0 -52.7 40.5 42.0 -6.4 428 212 B M H ><5S+ 0 0 134 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.918 113.1 54.2 -59.8 -41.7 38.6 38.8 -5.5 429 213 B T H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.6 36.4 -61.8 -33.4 35.3 40.5 -6.4 430 214 B S H 3<5S- 0 0 73 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.417 114.6-111.0-101.5 -0.1 36.6 41.4 -9.9 431 215 B G T <<5 0 0 59 -4,-1.0 -3,-0.2 -3,-0.7 -4,-0.1 0.918 360.0 360.0 71.7 45.2 38.6 38.3 -10.5 432 216 B K < 0 0 209 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.657 360.0 360.0-135.1 360.0 42.0 40.0 -10.4