==== 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 TRANSFERASE 23-JUN-09 3HZ6 . COMPND 2 MOLECULE: XYLULOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 497 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 29 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 0 2 2 2 1 1 4 0 1 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 2 0 0 1 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 . 5 2 3 0 2 2 0 1 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 . 3 1 1 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 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 0 A S 0 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.7 37.2 48.0 -13.4 2 1 A L - 0 0 127 70,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.934 360.0 -91.7-132.0 158.4 37.5 44.3 -13.0 3 2 A A - 0 0 49 -2,-0.3 2,-0.3 19,-0.0 19,-0.0 -0.380 32.3-162.9 -72.5 139.8 35.7 41.8 -10.8 4 3 A F - 0 0 93 -2,-0.1 19,-0.3 69,-0.0 2,-0.3 -0.899 14.7-161.1-116.4 154.5 37.0 40.9 -7.3 5 4 A Y E -a 73 0A 36 67,-2.9 69,-2.8 -2,-0.3 70,-0.7 -0.921 24.9-135.7-136.0 157.4 35.8 37.8 -5.5 6 5 A I E -aB 75 21A 0 15,-2.2 15,-3.0 -2,-0.3 2,-0.8 -0.950 31.3-135.2-102.5 126.2 35.5 36.0 -2.1 7 6 A A E -aB 76 20A 0 68,-2.9 70,-2.6 -2,-0.5 2,-0.4 -0.801 28.1-172.1 -83.4 117.9 36.4 32.3 -2.5 8 7 A T E +aB 77 19A 0 11,-2.7 11,-2.1 -2,-0.8 2,-0.3 -0.885 7.3 177.6-113.5 141.4 33.8 30.4 -0.7 9 8 A F E -aB 78 18A 1 68,-1.5 70,-2.2 -2,-0.4 2,-0.5 -0.982 18.2-158.7-138.3 147.6 33.9 26.6 -0.0 10 9 A D E -aB 79 17A 19 7,-2.7 7,-2.2 -2,-0.3 2,-1.5 -0.975 9.0-156.3-126.1 112.8 31.6 24.1 1.9 11 10 A I E -aB 80 16A 0 68,-2.8 70,-2.8 -2,-0.5 5,-0.2 -0.708 34.0-178.7 -87.0 82.9 33.4 20.9 2.9 12 11 A G - 0 0 6 3,-1.7 69,-0.1 -2,-1.5 -2,-0.0 -0.031 41.8 -98.8 -83.0-178.5 30.2 19.0 3.1 13 12 A T S S+ 0 0 50 1,-0.1 3,-0.1 67,-0.1 -1,-0.1 0.844 119.2 16.7 -73.9 -30.0 29.4 15.4 4.0 14 13 A T S S+ 0 0 79 1,-0.3 21,-2.5 20,-0.1 2,-0.3 0.580 131.0 9.8-120.5 -11.8 29.2 14.2 0.4 15 14 A E E - C 0 34A 57 19,-0.3 -3,-1.7 -5,-0.0 2,-0.6 -0.989 62.4-118.9-158.0 161.0 30.9 16.9 -1.7 16 15 A V E -BC 11 33A 0 17,-2.7 17,-2.2 -2,-0.3 2,-0.3 -0.922 33.6-166.8 -98.8 124.1 32.9 20.0 -1.6 17 16 A K E +BC 10 32A 40 -7,-2.2 -7,-2.7 -2,-0.6 2,-0.3 -0.836 11.4 172.1-109.4 148.1 30.9 22.9 -3.1 18 17 A A E +BC 9 31A 1 13,-2.2 13,-2.4 -2,-0.3 2,-0.3 -0.994 11.3 171.8-152.7 160.6 32.6 26.2 -4.0 19 18 A A E -B 8 0A 0 -11,-2.1 -11,-2.7 -2,-0.3 2,-0.7 -0.976 34.6-118.2-161.2 157.8 32.0 29.5 -5.8 20 19 A L E -BC 7 28A 0 8,-3.1 8,-3.2 -2,-0.3 2,-0.5 -0.897 38.0-152.5-101.7 116.3 33.6 32.9 -6.3 21 20 A A E -BC 6 27A 0 -15,-3.0 -15,-2.2 -2,-0.7 6,-0.2 -0.774 5.7-155.8 -95.8 133.5 31.3 35.4 -4.8 22 21 A D > - 0 0 29 4,-2.4 3,-1.5 -2,-0.5 -17,-0.1 -0.399 35.6 -97.6 -96.5 177.1 31.0 39.0 -6.0 23 22 A R T 3 S+ 0 0 176 -19,-0.3 441,-0.1 1,-0.3 -18,-0.1 0.732 119.6 58.6 -69.8 -16.9 29.9 42.0 -4.1 24 23 A D T 3 S- 0 0 94 2,-0.1 -1,-0.3 439,-0.1 443,-0.2 0.363 122.6-100.3 -91.1 4.4 26.3 41.9 -5.5 25 24 A G S < S+ 0 0 8 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.495 73.4 146.7 88.6 5.5 25.8 38.4 -4.2 26 25 A G - 0 0 23 1,-0.0 -4,-2.4 -5,-0.0 2,-0.6 -0.550 39.5-147.6 -73.6 146.2 26.4 36.5 -7.4 27 26 A L E +C 21 0A 16 -6,-0.2 3,-0.3 -2,-0.2 -6,-0.2 -0.940 26.4 180.0-116.3 106.4 28.1 33.1 -7.1 28 27 A H E +C 20 0A 73 -8,-3.2 -8,-3.1 -2,-0.6 -23,-0.0 -0.547 52.4 25.7-106.6 167.1 30.3 32.5 -10.1 29 28 A F E S- 0 0 67 -10,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.919 80.7-161.8 47.0 53.0 32.6 29.7 -11.2 30 29 A Q E - 0 0 94 -3,-0.3 2,-0.3 -11,-0.1 -11,-0.2 -0.404 11.6-177.0 -73.1 142.7 30.6 27.2 -9.3 31 30 A R E -C 18 0A 63 -13,-2.4 -13,-2.2 -2,-0.1 2,-0.3 -0.949 16.9-170.4-139.9 152.6 32.3 23.8 -8.5 32 31 A S E -C 17 0A 57 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.973 1.2-173.4-145.4 132.3 31.5 20.5 -6.9 33 32 A I E -C 16 0A 22 -17,-2.2 -17,-2.7 -2,-0.3 2,-0.1 -0.991 25.4-128.7-124.4 125.0 33.9 17.7 -6.1 34 33 A A E -C 15 0A 85 -2,-0.4 2,-0.4 -19,-0.2 -19,-0.3 -0.436 18.5-150.6 -76.2 145.4 32.4 14.4 -4.8 35 34 A L - 0 0 21 -21,-2.5 2,-0.4 -2,-0.1 -1,-0.0 -0.927 9.6-130.9-111.5 144.9 33.8 12.9 -1.6 36 35 A E - 0 0 116 -2,-0.4 2,-0.4 12,-0.1 12,-0.4 -0.746 16.0-155.7 -92.1 138.6 33.9 9.2 -0.7 37 36 A T - 0 0 57 -2,-0.4 2,-0.3 10,-0.1 3,-0.3 -0.918 9.7-149.5-112.4 138.3 32.7 8.0 2.6 38 37 A Y B +G 46 0B 53 8,-3.2 8,-2.1 -2,-0.4 3,-0.1 -0.777 63.5 66.9-109.8 151.7 33.9 4.7 4.1 39 38 A G S > S- 0 0 17 -2,-0.3 3,-2.4 6,-0.2 -1,-0.1 0.183 81.0-124.3 127.5 -16.1 32.2 2.2 6.4 40 39 A D T 3 - 0 0 149 1,-0.3 5,-0.1 -3,-0.3 -1,-0.1 0.720 65.1 -68.8 56.3 25.8 29.5 0.9 4.2 41 40 A G T 3 S+ 0 0 79 3,-0.5 -1,-0.3 1,-0.1 4,-0.1 0.630 109.1 119.3 70.9 13.1 26.7 1.8 6.7 42 41 A N S < S- 0 0 133 -3,-2.4 -2,-0.1 2,-0.3 3,-0.1 0.327 97.7 -69.9 -94.2 7.4 28.0 -0.8 9.1 43 42 A G S S+ 0 0 33 1,-0.5 61,-0.5 -4,-0.0 62,-0.3 -0.357 109.0 87.6 134.6 -58.5 28.9 1.5 12.0 44 43 A P - 0 0 33 0, 0.0 -1,-0.5 0, 0.0 -3,-0.5 -0.480 47.1-173.4 -73.6 145.8 31.9 3.5 10.9 45 44 A V + 0 0 29 55,-0.1 55,-3.0 -2,-0.1 2,-0.3 -0.883 28.3 154.7-136.1 105.1 31.4 6.7 9.0 46 45 A E E -GH 38 99B 25 -8,-2.1 -8,-3.2 -2,-0.4 2,-0.3 -0.929 25.5-171.6-138.3 153.0 34.9 7.9 7.9 47 46 A Q E - H 0 98B 1 51,-2.2 51,-2.1 -2,-0.3 2,-0.8 -0.964 33.6-111.2-138.6 157.6 36.7 10.0 5.3 48 47 A D >> - 0 0 52 -12,-0.4 3,-2.0 -2,-0.3 4,-0.5 -0.821 25.4-151.3 -86.4 114.0 40.3 10.7 4.3 49 48 A A H >> S+ 0 0 2 -2,-0.8 3,-1.5 1,-0.3 4,-1.1 0.830 92.3 68.2 -57.6 -31.6 40.9 14.3 5.4 50 49 A G H 3> S+ 0 0 31 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.812 89.8 64.8 -58.4 -28.1 43.4 14.7 2.6 51 50 A D H <> S+ 0 0 53 -3,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.823 96.2 57.4 -62.6 -29.4 40.5 14.4 0.1 52 51 A W H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.5 0.936 111.5 52.2 -61.8 -42.8 41.4 26.4 -7.2 61 60 A S H 3X S+ 0 0 46 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.912 107.2 53.2 -59.3 -41.4 43.2 25.0 -10.2 62 61 A S H 3< S+ 0 0 34 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.804 108.8 50.7 -65.2 -27.0 40.0 24.9 -12.2 63 62 A W H X<>S+ 0 0 0 -4,-1.6 5,-2.2 -3,-0.5 3,-1.3 0.938 110.3 45.7 -73.8 -48.1 39.5 28.6 -11.4 64 63 A W H ><5S+ 0 0 52 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.912 113.9 50.2 -65.9 -37.0 42.9 29.8 -12.5 65 64 A Q T 3<5S+ 0 0 157 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.494 102.9 61.1 -79.2 -3.2 42.6 27.7 -15.7 66 65 A S T < 5S- 0 0 61 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.126 130.6 -92.3 -98.8 10.6 39.2 29.2 -16.4 67 66 A G T < 5S+ 0 0 69 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.453 78.1 144.2 97.5 0.4 40.8 32.6 -16.6 68 67 A V < - 0 0 13 -5,-2.2 2,-0.6 -6,-0.1 -1,-0.3 -0.608 45.3-137.9 -76.8 131.7 40.4 33.8 -13.0 69 68 A D > - 0 0 58 -2,-0.4 3,-2.2 1,-0.1 4,-0.1 -0.781 7.0-147.6 -87.2 117.7 43.3 35.9 -11.7 70 69 A A G > S+ 0 0 12 -2,-0.6 3,-1.4 1,-0.3 161,-0.4 0.723 93.8 69.3 -63.3 -15.6 44.1 34.7 -8.1 71 70 A R G 3 S+ 0 0 156 1,-0.3 -1,-0.3 159,-0.1 159,-0.0 0.714 91.7 60.3 -73.7 -13.9 45.1 38.2 -7.2 72 71 A R G < S+ 0 0 65 -3,-2.2 -67,-2.9 -68,-0.1 2,-0.8 0.366 78.9 97.9 -95.3 3.1 41.5 39.2 -7.5 73 72 A V E < -a 5 0A 4 -3,-1.4 -67,-0.2 -69,-0.2 158,-0.1 -0.833 53.7-177.0 -87.4 108.5 40.5 36.8 -4.8 74 73 A S E + 0 0 32 -69,-2.8 2,-0.3 -2,-0.8 -68,-0.2 0.647 61.0 1.7 -88.7 -16.8 40.3 39.1 -1.8 75 74 A A E -a 6 0A 1 -70,-0.7 -68,-2.9 159,-0.1 2,-0.4 -0.966 57.6-142.2-164.3 154.3 39.5 36.5 0.9 76 75 A I E +ad 7 236A 0 159,-2.3 161,-2.6 -2,-0.3 2,-0.3 -0.988 25.4 172.0-121.1 135.9 39.0 32.8 1.3 77 76 A V E -a 8 0A 0 -70,-2.6 -68,-1.5 -2,-0.4 2,-0.3 -0.996 8.1-167.0-149.9 139.9 36.3 31.5 3.7 78 77 A L E -a 9 0A 0 159,-0.4 162,-0.9 -2,-0.3 2,-0.3 -0.931 13.6-175.5-131.4 150.4 34.9 28.0 4.4 79 78 A S E +ae 10 240A 0 -70,-2.2 -68,-2.8 -2,-0.3 2,-0.3 -0.789 26.0 136.5-121.8 177.2 32.1 26.1 6.0 80 79 A G E -ae 11 241A 1 160,-0.5 162,-2.6 -70,-0.3 163,-0.3 -0.993 47.9 -13.5 168.9-169.0 31.7 22.4 6.3 81 80 A Q - 0 0 3 -70,-2.8 79,-1.6 -2,-0.3 80,-0.4 -0.189 57.3-150.2 -56.1 139.3 30.9 19.3 8.3 82 81 A X + 0 0 31 77,-0.2 19,-0.4 1,-0.2 77,-0.2 -0.601 67.1 37.3-100.7 169.1 30.7 19.9 12.0 83 82 A Q S S+ 0 0 10 75,-0.4 2,-0.2 -2,-0.2 76,-0.2 0.914 76.3 158.8 61.6 42.8 31.4 17.5 14.9 84 83 A N - 0 0 0 74,-2.6 2,-0.5 -3,-0.2 16,-0.2 -0.630 35.5-148.6 -92.0 154.6 34.4 15.7 13.3 85 84 A F B +I 99 0B 2 14,-2.0 14,-2.5 -2,-0.2 73,-0.2 -0.948 29.6 158.9-120.2 112.9 37.0 13.7 15.1 86 85 A L E -J 157 0C 0 71,-2.1 71,-2.8 -2,-0.5 2,-0.4 -0.873 23.6-157.1-135.8 107.3 40.4 14.0 13.2 87 86 A P E -J 156 0C 0 0, 0.0 8,-3.1 0, 0.0 9,-0.6 -0.676 15.0-171.5 -88.0 132.8 43.6 13.3 15.1 88 87 A L E -JK 155 94C 0 67,-2.9 66,-3.0 -2,-0.4 67,-1.8 -0.901 15.0-132.8-121.2 155.1 46.8 14.8 13.6 89 88 A D > - 0 0 30 4,-2.5 3,-2.1 -2,-0.3 64,-0.1 -0.147 46.9 -80.9 -91.2-173.8 50.5 14.5 14.3 90 89 A Q T 3 S+ 0 0 136 62,-0.4 63,-0.1 1,-0.3 -1,-0.0 0.712 131.3 54.1 -65.8 -18.9 53.1 17.3 14.7 91 90 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.243 119.7-110.2 -94.5 13.6 53.3 17.6 10.9 92 91 A H S < S+ 0 0 48 -3,-2.1 -2,-0.1 1,-0.2 78,-0.0 0.649 73.0 143.3 65.4 18.9 49.6 18.0 10.6 93 92 A E - 0 0 97 1,-0.1 -4,-2.5 2,-0.0 -1,-0.2 -0.700 57.5-101.4 -89.8 139.7 49.3 14.6 9.0 94 93 A P B -K 88 0C 47 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.284 23.9-167.2 -62.0 141.2 46.2 12.4 9.9 95 94 A L S S+ 0 0 25 -8,-3.1 2,-0.3 1,-0.3 -7,-0.1 0.423 79.0 4.9-100.9 -7.8 46.8 9.6 12.4 96 95 A H S S- 0 0 42 -9,-0.6 -1,-0.3 53,-0.0 3,-0.1 -0.951 95.9 -77.9-161.4 158.9 43.4 8.1 11.5 97 96 A R - 0 0 86 -2,-0.3 -49,-0.2 1,-0.1 2,-0.2 -0.379 61.3 -94.9 -56.0 145.6 40.6 8.7 9.0 98 97 A A E -H 47 0B 0 -51,-2.1 -51,-2.2 -12,-0.1 2,-0.5 -0.488 38.8-137.6 -59.6 136.1 38.4 11.6 10.0 99 98 A V E -HI 46 85B 8 -14,-2.5 -14,-2.0 -53,-0.2 -53,-0.2 -0.850 20.1-134.8-101.0 125.8 35.4 10.2 11.9 100 99 A L > - 0 0 4 -55,-3.0 3,-2.0 -2,-0.5 -55,-0.1 -0.384 20.3-105.3 -86.8 163.9 32.1 11.9 10.8 101 100 A Y T 3 S+ 0 0 91 -19,-0.4 -1,-0.1 1,-0.3 -17,-0.1 0.772 115.5 58.6 -56.7 -31.8 29.3 13.2 13.1 102 101 A S T 3 S+ 0 0 54 2,-0.0 2,-0.4 -57,-0.0 -1,-0.3 0.554 78.5 103.7 -83.0 -6.4 27.0 10.4 12.3 103 102 A D < + 0 0 1 -3,-2.0 -4,-0.0 -58,-0.3 0, 0.0 -0.639 40.8 170.3 -71.8 123.1 29.4 7.7 13.5 104 103 A K + 0 0 134 -61,-0.5 3,-0.3 -2,-0.4 29,-0.2 -0.078 29.2 126.8-129.6 35.5 28.1 6.6 16.9 105 104 A R + 0 0 85 -62,-0.3 2,-2.3 1,-0.2 3,-0.4 0.858 55.2 76.3 -60.7 -35.8 30.2 3.6 17.7 106 105 A P > + 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 -0.198 51.3 139.8 -80.3 56.4 31.5 4.7 21.2 107 106 A L H > S+ 0 0 120 -2,-2.3 4,-2.2 -3,-0.3 5,-0.1 0.907 71.3 47.7 -64.2 -42.6 28.3 3.9 23.1 108 107 A K H > S+ 0 0 107 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.913 110.2 52.8 -67.5 -37.9 30.0 2.5 26.2 109 108 A E H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 110.3 47.2 -63.1 -45.9 32.5 5.4 26.4 110 109 A A H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.906 111.1 51.8 -61.9 -39.9 29.6 8.0 26.3 111 110 A E H X S+ 0 0 125 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 110.9 48.7 -62.6 -41.7 27.8 6.0 29.0 112 111 A E H X S+ 0 0 71 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.909 111.4 49.0 -65.5 -41.9 30.9 6.0 31.2 113 112 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.940 112.6 46.9 -65.8 -44.7 31.5 9.7 30.7 114 113 A N H X S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.906 114.8 48.1 -61.6 -39.0 27.9 10.6 31.6 115 114 A A H < S+ 0 0 81 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.894 114.6 44.7 -67.4 -41.1 28.0 8.2 34.6 116 115 A R H < S+ 0 0 150 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.935 127.0 27.3 -68.3 -48.6 31.3 9.6 35.9 117 116 A H H < S- 0 0 42 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.732 113.7-105.0 -90.5 -22.5 30.5 13.3 35.4 118 117 A G X - 0 0 23 -4,-2.3 4,-2.5 -5,-0.4 5,-0.2 0.529 15.0-122.7 96.0 116.4 26.7 13.3 35.7 119 118 A A H > S+ 0 0 32 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.903 114.1 48.2 -56.5 -42.5 24.5 13.7 32.7 120 119 A D H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 109.6 51.6 -67.0 -38.0 22.9 16.8 34.2 121 120 A N H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.904 112.3 47.2 -61.8 -44.6 26.2 18.4 35.1 122 121 A L H X S+ 0 0 4 -4,-2.5 4,-3.3 2,-0.2 5,-0.4 0.897 111.2 50.4 -66.2 -39.8 27.5 17.9 31.5 123 122 A W H X S+ 0 0 21 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.939 110.1 50.7 -67.1 -40.1 24.3 19.3 30.1 124 123 A S H < S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.913 118.3 38.2 -60.6 -41.0 24.5 22.4 32.3 125 124 A A H < S+ 0 0 8 -4,-2.1 63,-0.4 1,-0.1 64,-0.2 0.910 128.2 29.8 -77.5 -43.3 28.1 23.0 31.3 126 125 A L H < S- 0 0 0 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.743 79.0-151.0 -92.3 -27.3 28.0 22.1 27.6 127 126 A E S < S+ 0 0 3 -4,-2.7 160,-0.5 -5,-0.4 -4,-0.1 0.671 73.5 83.9 58.1 23.0 24.4 23.0 26.7 128 127 A N S S- 0 0 2 -6,-0.3 -1,-0.2 158,-0.2 -2,-0.2 -0.929 90.7 -78.8-151.5 159.2 24.7 20.3 24.1 129 128 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 155,-0.0 -0.298 23.9-153.3 -66.5 149.2 24.4 16.5 24.0 130 129 A X + 0 0 16 4,-0.1 2,-0.2 5,-0.0 53,-0.1 -0.955 44.4 137.0-116.6 102.2 27.0 14.1 25.3 131 130 A T S > S- 0 0 38 -2,-0.5 3,-2.0 -17,-0.0 -24,-0.0 -0.780 72.8 -81.1-135.7 178.1 26.4 10.9 23.2 132 131 A A T 3 S+ 0 0 5 1,-0.3 -27,-0.1 -2,-0.2 -25,-0.1 0.747 127.5 58.0 -58.7 -23.2 28.4 8.3 21.4 133 132 A A T 3 S+ 0 0 8 -29,-0.2 -1,-0.3 -28,-0.1 -30,-0.1 0.581 86.0 104.7 -81.7 -13.7 28.7 10.7 18.4 134 133 A S S <> S- 0 0 1 -3,-2.0 4,-1.3 -28,-0.1 49,-0.2 -0.217 80.9-116.2 -66.8 161.4 30.4 13.4 20.6 135 134 A I H > S+ 0 0 0 47,-2.4 4,-2.6 2,-0.2 5,-0.2 0.902 105.9 57.3 -77.2 -35.9 34.1 14.0 20.3 136 135 A L H > S+ 0 0 0 46,-0.6 4,-3.0 1,-0.2 5,-0.3 0.947 107.6 48.7 -61.4 -43.7 35.3 12.9 23.8 137 136 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.903 113.0 49.2 -59.6 -38.7 33.9 9.4 23.5 138 137 A K H X S+ 0 0 5 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.887 111.2 48.2 -67.2 -40.8 35.5 9.2 20.1 139 138 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.916 114.1 46.4 -65.8 -43.1 38.9 10.4 21.4 140 139 A V H X S+ 0 0 27 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.924 113.2 49.6 -63.2 -44.1 38.8 7.9 24.3 141 140 A F H X S+ 0 0 65 -4,-2.5 4,-1.3 -5,-0.3 -2,-0.2 0.920 114.3 45.8 -59.5 -44.1 37.6 5.0 21.9 142 141 A W H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 3,-0.4 0.938 110.1 51.4 -68.6 -46.9 40.5 5.9 19.5 143 142 A R H < S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.888 109.1 54.2 -55.4 -40.7 43.2 6.2 22.2 144 143 A A H < S+ 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.839 117.1 33.0 -65.7 -35.4 42.2 2.8 23.6 145 144 A S H < S+ 0 0 82 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.658 126.6 38.6 -95.3 -18.6 42.5 0.9 20.3 146 145 A F X + 0 0 98 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 -0.503 61.4 155.2-133.0 64.8 45.5 2.8 18.8 147 146 A P H > S+ 0 0 80 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.823 74.0 54.6 -68.2 -30.2 47.9 3.7 21.5 148 147 A Q H 4 S+ 0 0 157 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.952 112.7 41.9 -67.6 -46.9 50.9 4.0 19.2 149 148 A A H >4 S+ 0 0 11 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.875 110.0 60.1 -65.5 -37.9 49.3 6.5 17.0 150 149 A F H >< S+ 0 0 52 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.886 96.0 61.2 -57.3 -34.8 47.9 8.2 20.1 151 150 A G T 3< S+ 0 0 47 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.740 104.2 49.3 -64.0 -20.0 51.4 8.8 21.3 152 151 A R T < S+ 0 0 130 -3,-1.6 -62,-0.4 -4,-0.5 -1,-0.3 0.370 83.7 128.5 -94.4 -0.4 52.0 10.9 18.1 153 152 A L < + 0 0 9 -3,-1.8 -64,-0.2 -4,-0.3 3,-0.1 -0.380 15.4 150.6 -63.5 128.2 48.8 13.0 18.7 154 153 A R + 0 0 122 -66,-3.0 2,-0.3 1,-0.4 -65,-0.2 0.605 63.0 25.4-125.9 -24.9 49.4 16.7 18.6 155 154 A H E -J 88 0C 42 -67,-1.8 -67,-2.9 2,-0.0 2,-0.6 -0.999 55.6-152.4-143.9 139.3 46.1 18.3 17.3 156 155 A V E -J 87 0C 0 50,-2.7 2,-0.3 -2,-0.3 -17,-0.0 -0.954 17.5-155.0-111.7 112.5 42.5 17.2 17.4 157 156 A V E -J 86 0C 0 -71,-2.8 -71,-2.1 -2,-0.6 3,-0.1 -0.698 9.8-173.1 -87.9 138.9 40.6 18.8 14.4 158 157 A L + 0 0 0 -2,-0.3 -74,-2.6 1,-0.2 -75,-0.4 0.418 63.6 34.7-118.2 -4.7 36.9 19.1 15.1 159 158 A G S >> S- 0 0 2 -76,-0.2 4,-0.9 -77,-0.2 3,-0.9 -0.985 75.4-122.4-152.7 146.5 35.4 20.2 11.8 160 159 A A H >> S+ 0 0 0 -79,-1.6 4,-1.4 -2,-0.3 3,-0.8 0.865 109.1 51.4 -60.4 -42.6 36.3 19.5 8.3 161 160 A K H 3> S+ 0 0 3 -80,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.794 100.3 65.0 -70.2 -17.9 36.9 23.0 7.1 162 161 A D H <> S+ 0 0 1 -3,-0.9 4,-2.2 2,-0.2 11,-0.3 0.828 98.9 53.8 -70.1 -28.5 39.3 23.6 10.0 163 162 A Y H - 0 0 1 -2,-0.3 4,-2.4 35,-0.2 37,-0.1 -0.675 26.3-120.0 -97.0 160.6 34.4 28.4 15.2 176 175 A R H > S+ 0 0 37 35,-0.5 4,-2.2 -2,-0.3 113,-0.5 0.728 109.3 63.7 -74.0 -21.8 32.1 28.3 18.3 177 176 A T H > S+ 0 0 0 113,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.980 111.3 36.2 -65.3 -54.1 29.2 27.0 16.3 178 177 A N H >> S+ 0 0 1 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.931 112.9 59.6 -60.2 -43.3 31.1 23.9 15.5 179 178 A A H ><>S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 5,-0.7 0.900 98.9 59.9 -54.9 -40.7 32.7 23.8 18.9 180 179 A S H ><5S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.3 -1,-0.3 0.876 100.7 54.4 -52.4 -39.8 29.2 23.7 20.4 181 180 A T H <<5S+ 0 0 2 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.682 94.5 70.6 -68.8 -20.6 28.4 20.4 18.7 182 181 A T T <<5S- 0 0 0 -3,-1.3 -47,-2.4 -4,-0.8 -46,-0.6 0.661 95.9-126.3 -75.5 -20.7 31.4 18.6 20.0 183 182 A G T < 5S+ 0 0 0 -3,-0.9 -3,-0.1 -4,-0.4 -2,-0.1 0.696 93.3 90.1 74.0 21.2 30.4 18.2 23.6 184 183 A L < + 0 0 1 -5,-0.7 9,-3.1 -58,-0.1 2,-0.4 0.386 66.5 83.3-120.5 -1.4 33.8 19.8 24.5 185 184 A Y E -M 192 0E 5 -6,-0.5 7,-0.2 7,-0.3 -2,-0.1 -0.892 59.3-152.2-116.6 136.1 32.8 23.5 24.7 186 185 A R E >> -M 191 0E 52 5,-3.1 5,-1.5 -2,-0.4 4,-1.2 -0.881 9.0-166.3-102.3 103.9 31.2 25.5 27.5 187 186 A P T 45S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.874 83.5 53.3 -64.1 -38.4 29.2 28.3 26.0 188 187 A K T 45S+ 0 0 107 -63,-0.4 -62,-0.1 1,-0.2 -63,-0.1 0.808 118.8 35.8 -70.1 -28.6 28.7 30.4 29.2 189 188 A D T 45S- 0 0 104 -3,-0.4 -1,-0.2 -64,-0.2 3,-0.1 0.537 102.2-135.5 -87.9 -12.4 32.4 30.4 30.0 190 189 A D T <5 + 0 0 71 -4,-1.2 2,-0.3 1,-0.2 20,-0.1 0.949 68.9 102.5 50.3 54.7 33.3 30.6 26.3 191 190 A A E + 0 0 8 -9,-3.1 4,-2.5 1,-0.2 5,-0.2 -0.551 51.1 179.1 -77.4 82.3 35.6 22.2 29.1 194 193 A V H > S+ 0 0 66 -2,-1.9 4,-3.0 1,-0.2 5,-0.2 0.876 73.2 47.1 -57.3 -45.0 39.0 22.0 30.8 195 194 A E H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 111.0 51.3 -77.8 -26.7 38.2 19.9 33.7 196 195 A L H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.969 114.5 44.2 -65.1 -47.2 36.3 17.3 31.6 197 196 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.7 0.920 113.6 50.3 -62.2 -44.1 39.3 17.1 29.2 198 197 A A H ><5S+ 0 0 60 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.853 102.2 61.4 -63.7 -36.0 41.9 16.9 32.1 199 198 A D H 3<5S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.8 43.2 -61.3 -28.8 39.9 14.2 33.9 200 199 A Y T <<5S- 0 0 23 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.301 123.9-104.9-100.3 7.8 40.5 12.0 30.8 201 200 A G T < 5S+ 0 0 55 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.755 71.9 139.8 82.9 27.2 44.1 13.0 30.5 202 201 A F < - 0 0 7 -5,-2.5 -1,-0.2 -8,-0.1 2,-0.2 -0.916 45.4-134.0-111.3 129.7 43.9 15.3 27.5 203 202 A S > - 0 0 59 -2,-0.5 3,-1.8 1,-0.1 4,-0.2 -0.524 15.2-128.8 -77.2 143.2 45.8 18.6 27.3 204 203 A L G > S+ 0 0 71 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.681 102.5 79.3 -61.9 -21.7 44.1 21.8 26.2 205 204 A D G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -50,-0.0 -3,-0.0 0.694 82.8 64.1 -60.1 -18.1 47.0 22.1 23.7 206 205 A L G < S+ 0 0 17 -3,-1.8 -50,-2.7 -51,-0.1 -1,-0.3 0.688 89.2 88.3 -74.6 -24.1 45.2 19.6 21.5 207 206 A X S < S- 0 0 17 -3,-1.8 -50,-0.1 -4,-0.2 -35,-0.1 -0.504 80.3-113.4 -86.3 149.3 42.3 21.9 21.0 208 207 A P - 0 0 2 0, 0.0 -35,-0.3 0, 0.0 2,-0.3 -0.385 35.9 -99.7 -71.6 154.5 41.9 24.6 18.2 209 208 A R E -l 173 0D 187 -37,-2.4 -35,-2.4 1,-0.1 2,-0.5 -0.581 38.7-120.7 -68.3 135.4 41.9 28.3 19.0 210 209 A L E +l 174 0D 19 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.706 40.2 173.1 -81.1 124.9 38.3 29.7 19.0 211 210 A L - 0 0 22 -37,-2.5 -35,-0.5 -2,-0.5 6,-0.1 -0.937 35.8-106.6-130.5 154.2 37.8 32.4 16.5 212 211 A E > - 0 0 92 -2,-0.3 3,-1.7 -37,-0.1 26,-0.5 -0.454 39.1-112.2 -72.2 151.1 34.9 34.5 15.2 213 212 A P T 3 S+ 0 0 17 0, 0.0 26,-2.9 0, 0.0 25,-0.2 0.840 116.7 46.3 -57.3 -36.3 33.8 33.5 11.7 214 213 A G T 3 S+ 0 0 9 24,-0.2 2,-0.2 23,-0.1 26,-0.0 0.488 89.2 108.2 -83.9 -4.3 34.9 36.8 10.2 215 214 A E S < S- 0 0 79 -3,-1.7 23,-2.2 24,-0.1 2,-0.5 -0.488 75.8-116.1 -74.0 143.3 38.2 36.8 12.0 216 215 A Q E -F 237 0A 104 21,-0.2 21,-0.3 -2,-0.2 3,-0.1 -0.653 20.9-166.7 -80.4 124.5 41.3 36.1 9.8 217 216 A V E - 0 0 9 19,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.893 62.9 -67.4 -73.2 -43.7 43.1 32.9 10.9 218 217 A G E -F 236 0A 4 18,-1.2 18,-2.5 -3,-0.1 -1,-0.4 -0.954 58.3 -73.4 175.3-178.3 46.1 33.9 8.8 219 218 A G E -F 235 0A 27 -2,-0.3 2,-0.1 16,-0.2 15,-0.1 -0.604 59.5 -81.3 -93.5 163.6 47.1 34.4 5.3 220 219 A V - 0 0 2 14,-1.9 13,-2.0 11,-0.3 -51,-0.2 -0.410 55.0-127.2 -57.3 128.4 47.8 31.7 2.7 221 220 A S > - 0 0 37 -53,-2.6 4,-2.4 11,-0.2 5,-0.2 -0.199 17.3-108.9 -76.4 165.5 51.3 30.4 3.3 222 221 A A H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.925 121.2 48.8 -56.1 -44.3 54.0 30.1 0.7 223 222 A L H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 112.1 47.7 -61.2 -47.4 53.7 26.3 0.8 224 223 A A H > S+ 0 0 0 1,-0.2 4,-2.0 -56,-0.2 6,-0.4 0.867 108.8 55.2 -65.5 -32.8 49.9 26.4 0.4 225 224 A A H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.914 107.8 49.2 -65.2 -41.5 50.2 29.0 -2.4 226 225 A R H < S+ 0 0 185 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 114.9 45.8 -61.1 -36.3 52.5 26.5 -4.2 227 226 A Q H < S+ 0 0 59 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.778 129.1 20.0 -78.5 -26.1 49.9 23.7 -3.6 228 227 A T H < S- 0 0 6 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.618 90.9-121.3-119.3 -22.5 46.8 25.7 -4.6 229 228 A G < + 0 0 34 -4,-2.6 -4,-0.1 1,-0.3 -159,-0.1 0.408 65.4 136.9 83.8 -2.0 47.7 28.7 -6.8 230 229 A F - 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0 0 25 -3,-2.1 4,-2.3 -4,-0.2 5,-0.2 -0.719 59.7-173.3 -85.4 102.4 6.3 17.3 -1.6 415 414 A E H > S+ 0 0 165 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.891 86.0 53.5 -62.7 -34.3 3.6 20.0 -1.7 416 415 A A H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 106.8 50.2 -69.4 -37.2 1.4 17.8 0.4 417 416 A W H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.948 108.9 52.8 -64.4 -43.1 4.0 17.4 3.1 418 417 A L H X S+ 0 0 17 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.914 108.9 49.8 -59.0 -41.2 4.6 21.2 3.2 419 418 A R H X S+ 0 0 62 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.929 110.8 50.2 -61.6 -44.6 0.8 21.7 3.7 420 419 A X H X S+ 0 0 19 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.879 112.9 46.6 -59.4 -39.5 0.9 19.2 6.6 421 420 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.940 112.8 47.6 -69.9 -47.0 3.8 20.9 8.2 422 421 A A H X>S+ 0 0 0 -4,-2.9 5,-1.7 -5,-0.2 4,-0.9 0.934 117.3 42.7 -59.5 -46.1 2.4 24.4 7.9 423 422 A D H <5S+ 0 0 31 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.903 118.5 43.3 -70.7 -40.6 -1.0 23.4 9.2 424 423 A N H <5S+ 0 0 4 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.877 120.9 38.5 -76.6 -32.5 0.3 21.2 12.0 425 424 A L H <5S- 0 0 24 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.595 103.1-135.4 -84.5 -10.8 3.1 23.5 13.2 426 425 A N T <5 + 0 0 118 -4,-0.9 2,-0.3 -5,-0.3 -3,-0.2 0.958 63.0 123.7 51.5 57.4 0.7 26.4 12.6 427 426 A V < - 0 0 8 -5,-1.7 -1,-0.2 -6,-0.2 2,-0.2 -0.989 65.4-113.4-145.8 145.1 3.5 28.3 10.9 428 427 A S E -r 404 0F 19 -25,-1.3 -23,-2.7 -2,-0.3 2,-0.4 -0.555 33.7-150.3 -78.1 152.3 4.1 30.0 7.5 429 428 A L E -rS 405 472F 3 43,-2.8 43,-3.0 -25,-0.2 2,-0.5 -0.959 15.5-168.1-127.8 141.4 6.8 28.4 5.3 430 429 A L E -r 406 0F 22 -25,-2.6 -23,-2.7 -2,-0.4 2,-0.4 -0.959 18.6-144.0-127.9 116.8 9.1 29.7 2.7 431 430 A V E -r 407 0F 52 -2,-0.5 -23,-0.2 39,-0.3 -25,-0.1 -0.635 9.8-158.1 -79.7 132.5 10.9 27.2 0.5 432 431 A K - 0 0 40 -25,-2.7 -23,-0.3 -2,-0.4 3,-0.1 -0.921 14.6-151.9-111.9 106.6 14.4 28.3 -0.4 433 432 A P + 0 0 88 0, 0.0 4,-0.1 0, 0.0 5,-0.0 -0.148 67.8 42.3 -74.5 173.7 15.7 26.5 -3.5 434 433 A D > - 0 0 98 1,-0.1 3,-1.9 2,-0.1 4,-0.4 0.938 64.8-179.6 60.1 55.5 19.3 25.6 -4.5 435 434 A A G > + 0 0 34 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.724 69.4 69.9 -64.0 -24.9 20.2 24.5 -1.0 436 435 A H G 3 S+ 0 0 80 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.780 99.5 50.4 -68.7 -18.7 23.7 23.6 -1.9 437 436 A L G <> S+ 0 0 12 -3,-1.9 4,-2.1 1,-0.1 -1,-0.3 0.626 86.3 87.9 -89.6 -15.6 24.5 27.3 -2.4 438 437 A H H <> S+ 0 0 6 -3,-1.0 4,-1.9 -4,-0.4 5,-0.2 0.907 88.8 45.9 -57.6 -43.5 23.1 28.5 1.0 439 438 A P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.901 111.5 54.0 -67.4 -32.1 26.2 28.1 3.0 440 439 A L H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.885 107.9 50.2 -66.3 -36.9 28.2 29.8 0.3 441 440 A R H X S+ 0 0 78 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.885 110.6 49.0 -63.6 -40.7 25.9 32.8 0.4 442 441 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -197,-0.2 -2,-0.2 0.920 112.5 47.7 -67.1 -43.0 26.2 33.0 4.2 443 442 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.904 110.7 52.1 -62.3 -43.6 30.0 32.8 3.9 444 443 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.928 109.9 49.6 -62.6 -40.7 30.0 35.5 1.2 445 444 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.936 111.8 45.9 -63.8 -45.0 27.9 37.8 3.3 446 445 A L H X S+ 0 0 10 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.915 115.6 46.8 -69.2 -34.5 30.1 37.5 6.4 447 446 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.868 105.5 60.6 -71.7 -36.1 33.3 38.0 4.4 448 447 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 6,-1.2 0.878 103.4 51.4 -59.2 -37.6 31.8 40.9 2.5 449 448 A V H ><5S+ 0 0 42 -4,-1.6 3,-1.3 4,-0.2 -1,-0.2 0.945 109.1 48.7 -64.5 -45.0 31.4 42.7 5.8 450 449 A E H 3<5S+ 0 0 106 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 112.5 49.4 -62.8 -31.6 35.1 42.1 6.8 451 450 A L T 3<5S- 0 0 48 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.449 114.3-119.5 -83.0 -3.3 36.1 43.4 3.4 452 451 A E T < 5S+ 0 0 178 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.761 79.5 125.3 62.5 29.4 33.9 46.5 3.8 453 452 A W S - 0 0 30 1,-0.1 4,-2.3 -3,-0.0 -1,-0.2 -0.989 66.6-110.6-156.4 160.5 26.1 44.1 7.4 457 456 A I H > S+ 0 0 35 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.919 118.9 54.4 -59.6 -41.4 25.2 40.6 6.5 458 457 A Q H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.925 107.9 48.7 -59.0 -43.8 21.6 41.6 6.4 459 458 A D H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 113.3 47.9 -62.4 -42.1 22.4 44.4 3.9 460 459 A F H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.933 113.0 46.6 -66.9 -45.1 24.4 42.0 1.7 461 460 A L H X S+ 0 0 16 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.892 110.9 51.3 -67.7 -37.7 21.7 39.3 1.7 462 461 A R H X S+ 0 0 147 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.885 110.1 49.4 -70.2 -36.5 18.9 41.6 0.9 463 462 A E H >< S+ 0 0 109 -4,-2.0 3,-0.8 -5,-0.2 4,-0.4 0.921 109.8 51.3 -65.3 -42.1 20.7 43.1 -2.0 464 463 A A H >< S+ 0 0 14 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.873 104.8 58.7 -60.1 -36.5 21.5 39.6 -3.3 465 464 A D H 3< S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.731 88.2 72.7 -65.0 -25.5 17.8 38.8 -3.0 466 465 A L T << 0 0 138 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.735 360.0 360.0 -61.7 -18.4 16.8 41.6 -5.4 467 466 A R < 0 0 124 -3,-1.3 -3,-0.0 -4,-0.4 -442,-0.0 -0.380 360.0 360.0 -66.2 360.0 18.2 39.4 -8.1 468 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 469 470 A S 0 0 145 0, 0.0 2,-0.3 0, 0.0 -37,-0.0 0.000 360.0 360.0 360.0 155.4 8.6 33.7 -4.1 470 471 A N - 0 0 158 1,-0.1 -39,-0.3 -40,-0.0 2,-0.1 -0.584 360.0-128.1 -85.1 136.4 5.3 33.2 -2.3 471 472 A I - 0 0 64 -2,-0.3 2,-0.6 -41,-0.1 -41,-0.2 -0.461 17.4-129.9 -72.5 145.3 5.0 32.1 1.3 472 473 A L B -S 429 0F 55 -43,-3.0 -43,-2.8 -2,-0.1 -1,-0.1 -0.867 27.6-159.0 -98.1 118.9 2.8 29.2 2.2 473 474 A H - 0 0 107 -2,-0.6 -45,-0.1 -45,-0.2 -50,-0.1 -0.686 21.8-101.4-103.9 152.5 0.5 30.1 5.1 474 475 A P - 0 0 32 0, 0.0 -51,-0.1 0, 0.0 -1,-0.1 -0.412 34.4-121.0 -70.1 147.2 -1.3 27.7 7.4 475 476 A Q - 0 0 91 -56,-0.2 2,-0.1 1,-0.1 -49,-0.1 -0.554 36.8 -97.4 -77.2 149.4 -5.0 27.0 6.8 476 477 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.512 55.0-179.6 -65.5 141.6 -7.3 27.8 9.6 477 478 A C - 0 0 61 -2,-0.1 2,-1.3 -54,-0.1 3,-0.1 -0.787 45.2 -92.3-128.5 172.9 -7.9 24.7 11.6 478 479 A D > - 0 0 90 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 -0.821 45.4-162.3 -85.5 95.7 -9.9 23.5 14.6 479 480 A E H > S+ 0 0 69 -2,-1.3 4,-2.5 1,-0.3 -1,-0.2 0.891 85.0 51.8 -51.4 -42.3 -6.9 24.2 16.7 480 481 A G H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.865 108.7 50.0 -64.5 -38.6 -8.3 22.1 19.5 481 482 A R H > S+ 0 0 122 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.891 112.6 46.4 -70.7 -40.6 -8.9 19.1 17.2 482 483 A R H X S+ 0 0 38 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.905 112.8 51.0 -68.1 -40.6 -5.4 19.3 15.8 483 484 A R H X S+ 0 0 125 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.905 107.3 53.0 -60.8 -43.5 -4.0 19.6 19.2 484 485 A R H X S+ 0 0 135 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 109.1 48.7 -62.3 -39.6 -5.9 16.6 20.5 485 486 A K H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.903 110.5 52.5 -66.4 -35.9 -4.6 14.4 17.6 486 487 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.902 108.9 48.9 -64.6 -41.4 -1.1 15.6 18.5 487 488 A E H X S+ 0 0 74 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.890 110.3 51.6 -66.6 -36.2 -1.6 14.6 22.1 488 489 A R H X S+ 0 0 80 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.915 105.6 56.5 -64.6 -39.5 -2.8 11.2 20.9 489 490 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.928 107.5 47.1 -56.6 -46.0 0.3 10.9 18.8 490 491 A K H X S+ 0 0 38 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.928 111.8 51.2 -64.4 -41.6 2.5 11.4 21.9 491 492 A Q H X S+ 0 0 108 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.916 110.2 49.4 -58.8 -42.6 0.4 8.8 23.8 492 493 A C H X S+ 0 0 31 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.892 107.6 53.8 -67.5 -39.1 0.7 6.3 21.0 493 494 A V H X S+ 0 0 3 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.934 112.9 43.6 -60.7 -43.0 4.5 6.7 20.8 494 495 A E H >< S+ 0 0 141 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.926 113.9 50.1 -64.2 -47.4 4.7 6.0 24.5 495 496 A T H >< S+ 0 0 86 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.893 103.9 58.2 -62.9 -38.9 2.3 3.1 24.4 496 497 A L H 3< S+ 0 0 33 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.702 94.1 66.6 -65.7 -19.6 4.1 1.4 21.5 497 498 A G T << 0 0 35 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.602 360.0 360.0 -69.8 -9.4 7.2 1.4 23.7 498 499 A R < 0 0 233 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.0 -0.510 360.0 360.0 62.7 360.0 5.2 -1.1 25.8