==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-05 2FBX . COMPND 2 MOLECULE: WERNER SYNDROME HELICASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.PERRY . 195 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 . 1 0 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 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 37 A H 0 0 176 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.4 63.1 -9.7 38.7 2 38 A S > - 0 0 59 1,-0.1 3,-1.0 4,-0.0 4,-0.3 -0.069 360.0-104.5 -71.0 173.9 60.0 -11.7 37.8 3 39 A V G > S+ 0 0 121 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.853 121.6 64.4 -66.9 -33.6 58.0 -11.7 34.6 4 40 A F G 3 S+ 0 0 188 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.702 101.1 52.0 -62.3 -19.6 55.4 -9.7 36.5 5 41 A E G < S+ 0 0 114 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.468 82.0 121.8 -96.4 -4.8 58.0 -6.9 36.9 6 42 A D S < S- 0 0 72 -3,-1.6 2,-0.6 -4,-0.3 -4,-0.0 -0.113 74.5-100.0 -56.0 156.7 58.9 -6.7 33.2 7 43 A D - 0 0 133 145,-0.0 -1,-0.1 3,-0.0 3,-0.1 -0.737 42.8-152.4 -83.6 118.5 58.5 -3.4 31.4 8 44 A L - 0 0 61 -2,-0.6 143,-0.2 1,-0.1 144,-0.1 -0.412 26.9 -84.2 -88.2 164.6 55.2 -3.4 29.4 9 45 A P - 0 0 84 0, 0.0 143,-2.1 0, 0.0 2,-0.3 -0.327 54.7 -99.1 -64.8 150.7 54.4 -1.5 26.2 10 46 A F E -a 152 0A 81 141,-0.2 2,-0.5 -3,-0.1 143,-0.2 -0.549 26.0-122.9 -80.0 134.6 53.1 2.1 26.8 11 47 A L E +a 153 0A 4 141,-2.9 143,-0.6 -2,-0.3 2,-0.4 -0.626 39.6 176.5 -72.4 120.3 49.4 2.8 26.7 12 48 A E - 0 0 99 -2,-0.5 2,-0.2 141,-0.1 164,-0.1 -0.956 27.4-133.3-135.6 116.3 49.0 5.5 24.0 13 49 A F + 0 0 8 -2,-0.4 166,-0.1 162,-0.3 165,-0.1 -0.464 23.0 178.5 -66.1 130.6 45.7 7.0 22.9 14 50 A T + 0 0 134 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.298 47.9 92.2-118.8 10.0 45.5 7.1 19.1 15 51 A G S S- 0 0 32 1,-0.2 2,-0.4 55,-0.1 57,-0.2 0.069 90.8 -46.8 -85.5-158.7 42.0 8.5 18.6 16 52 A S E -b 72 0B 56 55,-3.6 57,-3.0 1,-0.0 2,-0.7 -0.605 47.0-161.8 -79.6 123.9 40.9 12.1 18.1 17 53 A I E -b 73 0B 59 -2,-0.4 2,-0.8 55,-0.2 57,-0.2 -0.906 5.9-160.6-108.1 106.7 42.3 14.6 20.6 18 54 A V E -b 74 0B 33 55,-2.7 57,-3.0 -2,-0.7 2,-0.6 -0.786 6.2-161.6 -91.5 110.5 40.2 17.8 20.6 19 55 A Y E +b 75 0B 40 -2,-0.8 2,-0.4 55,-0.2 57,-0.2 -0.836 12.7 176.4 -98.7 120.6 42.1 20.7 22.1 20 56 A S E +b 76 0B 0 55,-2.8 57,-2.9 -2,-0.6 3,-0.0 -0.978 20.1 160.5-126.0 135.7 40.1 23.7 23.3 21 57 A Y + 0 0 88 -2,-0.4 2,-0.4 55,-0.2 -1,-0.1 0.176 55.9 85.1-137.2 16.8 41.3 26.8 25.1 22 58 A D S > S- 0 0 92 1,-0.1 4,-2.7 59,-0.1 5,-0.2 -0.987 72.5-132.4-124.5 132.9 38.5 29.3 24.5 23 59 A A H > S+ 0 0 18 -2,-0.4 4,-2.1 1,-0.2 64,-0.2 0.879 101.7 39.6 -49.0 -61.1 35.4 29.4 26.7 24 60 A S H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.868 114.6 55.3 -63.7 -35.9 32.5 29.5 24.3 25 61 A D H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.969 109.7 47.9 -57.9 -50.3 34.2 26.9 22.1 26 62 A C H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.860 109.9 51.5 -59.1 -39.8 34.5 24.7 25.2 27 63 A S H X S+ 0 0 23 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.892 111.7 45.7 -67.3 -40.4 30.8 25.2 26.1 28 64 A F H X S+ 0 0 123 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.857 111.8 53.0 -70.1 -33.4 29.6 24.2 22.6 29 65 A L H >X S+ 0 0 19 -4,-2.3 4,-2.4 -5,-0.3 3,-0.6 0.948 104.9 55.4 -64.1 -45.8 32.0 21.3 22.7 30 66 A S H 3X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.853 106.7 50.8 -54.9 -35.9 30.4 20.3 26.0 31 67 A E H 3X S+ 0 0 100 -4,-1.3 4,-1.8 2,-0.2 -1,-0.3 0.814 104.9 55.9 -72.9 -30.5 27.0 20.3 24.3 32 68 A D H < S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.939 111.1 48.9 -55.6 -48.5 29.4 15.6 24.1 34 70 A S H >< S+ 0 0 58 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.808 108.5 54.0 -63.6 -28.8 25.9 15.7 25.7 35 71 A M H 3< S+ 0 0 141 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.745 109.0 49.8 -76.9 -21.1 24.3 15.2 22.3 36 72 A S T << S+ 0 0 77 -4,-1.4 2,-0.3 -3,-0.8 -1,-0.2 0.361 105.8 67.3 -98.1 4.8 26.4 12.1 21.8 37 73 A L < - 0 0 30 -3,-0.7 2,-0.3 -4,-0.4 60,-0.0 -0.837 62.9-147.3-124.8 162.8 25.6 10.5 25.1 38 74 A S > - 0 0 84 -2,-0.3 3,-2.1 1,-0.1 -2,-0.0 -0.816 47.1 -74.7-120.3 161.3 22.6 9.0 26.9 39 75 A D T 3 S+ 0 0 140 -2,-0.3 58,-0.2 1,-0.2 57,-0.1 -0.316 120.6 30.6 -57.1 136.9 21.8 9.0 30.6 40 76 A G T 3 S+ 0 0 46 56,-2.3 -1,-0.2 1,-0.3 57,-0.1 0.085 84.3 136.1 101.5 -23.2 24.1 6.5 32.4 41 77 A D < - 0 0 63 -3,-2.1 57,-2.3 55,-0.3 2,-0.4 -0.242 43.4-142.7 -60.8 145.6 27.0 6.8 30.0 42 78 A V E -c 98 0B 17 55,-0.2 2,-0.3 -3,-0.1 57,-0.2 -0.879 13.5-167.3-115.9 144.4 30.5 7.0 31.6 43 79 A V E -c 99 0B 3 55,-2.4 57,-3.1 -2,-0.4 2,-0.5 -0.919 30.7-105.6-127.6 154.0 33.5 9.1 30.5 44 80 A G E -cD 100 67B 0 23,-2.4 23,-2.4 -2,-0.3 2,-0.3 -0.696 42.3-165.1 -80.4 123.9 37.1 9.0 31.5 45 81 A F E + D 0 66B 4 55,-3.1 2,-0.3 -2,-0.5 57,-0.2 -0.843 22.0 135.6-113.0 148.6 37.8 12.0 33.7 46 82 A D E - D 0 65B 28 19,-1.3 19,-3.1 -2,-0.3 2,-0.3 -0.945 24.2-156.8-176.1 162.8 41.1 13.5 34.8 47 83 A M E - D 0 64B 2 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.973 4.4-146.1-150.2 163.8 42.8 16.9 35.2 48 84 A E E - D 0 63B 20 15,-2.5 14,-2.9 -2,-0.3 15,-2.1 -0.925 10.5-175.4-132.5 157.4 46.2 18.6 35.4 49 85 A W - 0 0 73 -2,-0.3 115,-0.2 12,-0.3 12,-0.2 -0.991 33.9 -90.5-150.7 151.3 47.8 21.6 37.2 50 86 A P - 0 0 21 0, 0.0 9,-0.5 0, 0.0 113,-0.2 -0.030 33.4-120.7 -57.4 162.7 51.1 23.4 37.2 51 87 A P S S+ 0 0 70 0, 0.0 8,-0.5 0, 0.0 111,-0.1 0.983 82.4 86.8 -71.2 -59.9 54.0 22.4 39.6 52 88 A L S S- 0 0 147 1,-0.1 7,-0.3 6,-0.1 2,-0.2 0.022 80.6-113.8 -43.9 145.4 54.5 25.6 41.6 53 89 A Y - 0 0 175 5,-0.1 2,-0.5 6,-0.1 5,-0.2 -0.507 18.2-146.4 -86.1 154.6 52.4 26.1 44.7 54 90 A N B > -G 57 0C 76 3,-3.2 3,-2.1 -2,-0.2 -1,-0.0 -0.965 68.4 -36.8-126.1 114.3 49.8 28.8 45.3 55 91 A R T 3 S- 0 0 217 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.865 124.9 -39.4 37.6 58.5 49.2 30.2 48.7 56 92 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.508 125.2 83.4 77.4 5.0 49.7 27.0 50.6 57 93 A K B < S-G 54 0C 69 -3,-2.1 -3,-3.2 1,-0.1 -1,-0.2 -0.923 87.5 -74.7-138.3 163.0 48.0 24.7 48.1 58 94 A L - 0 0 69 -2,-0.3 -5,-0.1 -5,-0.2 3,-0.1 -0.132 66.7 -82.9 -51.8 148.5 48.6 22.8 44.8 59 95 A G - 0 0 3 -9,-0.5 -1,-0.1 -8,-0.5 3,-0.1 -0.178 61.2 -88.3 -52.0 148.5 48.7 25.0 41.7 60 96 A K - 0 0 105 1,-0.1 -1,-0.1 -3,-0.1 51,-0.1 -0.336 51.8 -87.9 -64.9 139.7 45.2 25.7 40.3 61 97 A V + 0 0 3 49,-0.2 -12,-0.3 -12,-0.2 -1,-0.1 -0.189 48.8 171.9 -47.9 128.2 43.7 23.2 37.9 62 98 A A + 0 0 0 -14,-2.9 17,-2.2 1,-0.3 2,-0.4 0.667 59.8 33.9-113.5 -29.2 44.8 24.2 34.3 63 99 A L E -D 48 0B 0 -15,-2.1 -15,-2.5 14,-0.2 2,-0.4 -0.988 55.8-168.5-134.7 139.8 43.5 21.3 32.2 64 100 A I E -DE 47 76B 3 12,-1.5 12,-3.0 -2,-0.4 2,-0.4 -0.996 12.4-158.0-127.6 129.6 40.5 19.0 32.4 65 101 A Q E -DE 46 75B 0 -19,-3.1 -19,-1.3 -2,-0.4 2,-0.4 -0.869 10.2-177.0-110.7 139.8 40.2 15.9 30.2 66 102 A L E -DE 45 74B 4 8,-2.1 8,-3.2 -2,-0.4 2,-0.8 -0.956 8.2-164.9-136.1 114.7 37.1 14.0 29.2 67 103 A C E +DE 44 73B 0 -23,-2.4 -23,-2.4 -2,-0.4 6,-0.2 -0.886 12.6 173.9-101.1 111.6 37.3 10.8 27.1 68 104 A V + 0 0 14 4,-1.1 2,-0.3 -2,-0.8 5,-0.1 0.590 62.5 3.8 -95.9 -13.7 33.8 10.1 25.8 69 105 A S S S- 0 0 36 3,-1.3 3,-0.4 -25,-0.1 -25,-0.1 -0.919 82.7 -93.0-156.1 177.8 34.5 7.2 23.5 70 106 A E S S+ 0 0 116 -2,-0.3 -55,-0.1 1,-0.2 3,-0.1 0.611 125.0 41.7 -77.3 -8.3 37.3 4.8 22.6 71 107 A S S S+ 0 0 73 1,-0.2 -55,-3.6 -56,-0.1 2,-0.4 0.449 111.2 53.0-116.6 -1.5 38.0 7.1 19.6 72 108 A K E +b 16 0B 72 -3,-0.4 -3,-1.3 -57,-0.2 -4,-1.1 -0.985 49.0 174.4-144.1 134.2 37.7 10.6 21.1 73 109 A C E -bE 17 67B 0 -57,-3.0 -55,-2.7 -2,-0.4 2,-0.4 -0.994 19.2-141.5-135.1 141.5 39.1 12.6 24.0 74 110 A Y E -bE 18 66B 14 -8,-3.2 -8,-2.1 -2,-0.4 2,-0.6 -0.877 5.6-163.6-108.1 134.0 38.7 16.3 25.0 75 111 A L E -bE 19 65B 0 -57,-3.0 -55,-2.8 -2,-0.4 2,-1.0 -0.929 6.8-168.6-114.6 105.1 41.3 18.6 26.5 76 112 A F E -bE 20 64B 0 -12,-3.0 2,-2.3 -2,-0.6 -12,-1.5 -0.793 6.5-160.7 -98.1 95.1 39.7 21.7 28.0 77 113 A H > + 0 0 0 -57,-2.9 3,-1.9 -2,-1.0 -14,-0.2 -0.458 20.6 168.2 -76.4 72.0 42.6 24.1 28.7 78 114 A V G > + 0 0 8 -2,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.754 65.7 72.4 -59.6 -27.6 40.7 26.2 31.2 79 115 A S G 3 S+ 0 0 49 -17,-2.2 -1,-0.3 1,-0.3 -16,-0.1 0.720 101.7 45.8 -62.8 -18.8 43.9 27.9 32.4 80 116 A S G < S+ 0 0 42 -3,-1.9 2,-0.4 -18,-0.3 -1,-0.3 0.385 95.0 97.5-102.7 0.3 43.8 29.7 29.1 81 117 A M S < S- 0 0 18 -3,-1.8 -59,-0.1 -4,-0.2 3,-0.0 -0.764 71.1-138.8 -95.0 135.3 40.1 30.6 29.2 82 118 A S S S+ 0 0 124 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.857 90.2 9.3 -56.6 -39.0 38.9 34.0 30.4 83 119 A V S S- 0 0 91 -3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.943 94.6 -90.0-139.4 157.5 36.1 32.4 32.4 84 120 A F - 0 0 36 -2,-0.3 -2,-0.0 1,-0.1 -5,-0.0 -0.590 55.9-104.9 -72.3 125.4 35.2 28.8 33.3 85 121 A P > - 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.1 -0.260 22.2-148.2 -53.8 127.6 33.0 27.5 30.4 86 122 A Q H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.806 96.2 53.8 -67.9 -34.5 29.4 27.3 31.5 87 123 A G H > S+ 0 0 11 -64,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.817 111.1 46.2 -71.8 -29.5 28.6 24.3 29.4 88 124 A L H > S+ 0 0 0 2,-0.2 4,-3.6 3,-0.2 5,-0.3 0.924 111.1 52.2 -75.7 -46.9 31.5 22.3 30.9 89 125 A K H X S+ 0 0 60 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.951 112.9 44.7 -51.9 -51.9 30.5 23.3 34.4 90 126 A M H < S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.868 113.1 52.1 -62.5 -35.2 27.0 22.1 33.7 91 127 A L H >< S+ 0 0 13 -4,-1.5 3,-1.4 1,-0.2 6,-0.3 0.959 111.4 45.7 -65.4 -48.5 28.3 19.0 32.1 92 128 A L H 3< S+ 0 0 0 -4,-3.6 28,-2.4 1,-0.3 -2,-0.2 0.785 115.5 47.1 -65.3 -27.6 30.6 18.2 35.1 93 129 A E T 3< S+ 0 0 60 -4,-2.0 2,-0.8 -5,-0.3 -1,-0.3 0.307 87.7 107.2 -95.2 7.6 27.7 19.0 37.5 94 130 A N X - 0 0 68 -3,-1.4 3,-1.8 -4,-0.2 26,-0.1 -0.779 56.2-160.2 -92.3 111.8 25.2 16.8 35.6 95 131 A K T 3 S+ 0 0 163 -2,-0.8 -1,-0.1 1,-0.3 -55,-0.1 0.462 83.8 79.7 -68.8 2.7 24.5 13.6 37.4 96 132 A A T 3 S+ 0 0 19 1,-0.1 -56,-2.3 -5,-0.1 2,-0.5 0.723 90.9 54.9 -80.4 -22.5 23.3 12.2 34.0 97 133 A V S < S- 0 0 10 -3,-1.8 2,-0.3 -6,-0.3 -55,-0.2 -0.963 79.3-145.0-117.3 123.5 26.9 11.6 33.0 98 134 A K E -c 42 0B 49 -57,-2.3 -55,-2.4 -2,-0.5 2,-0.5 -0.625 7.6-150.4 -86.8 143.2 29.2 9.5 35.1 99 135 A K E -cf 43 122B 2 22,-1.9 24,-2.9 -2,-0.3 2,-0.3 -0.967 11.3-159.4-116.5 121.8 32.9 10.3 35.4 100 136 A A E +cf 44 123B 0 -57,-3.1 -55,-3.1 -2,-0.5 2,-0.3 -0.796 30.3 114.8-104.6 144.3 35.4 7.5 36.0 101 137 A G E - f 0 124B 4 22,-1.7 24,-3.1 -2,-0.3 2,-0.5 -0.977 58.3 -90.9 178.8 178.9 38.9 7.8 37.3 102 138 A V S S+ 0 0 43 -2,-0.3 39,-0.1 -57,-0.2 22,-0.1 -0.970 109.2 11.7-117.3 123.9 41.3 7.0 40.2 103 139 A G S > S+ 0 0 41 -2,-0.5 4,-1.1 37,-0.0 3,-0.4 0.670 84.7 143.5 83.9 20.0 41.7 9.6 43.0 104 140 A I H > + 0 0 0 -3,-0.3 4,-2.3 1,-0.2 3,-0.2 0.835 60.9 61.6 -61.9 -36.9 38.6 11.2 41.5 105 141 A E H > S+ 0 0 105 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.914 103.8 51.2 -58.4 -40.0 37.2 12.1 44.9 106 142 A G H 4 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.2 5,-0.2 0.841 106.7 53.7 -65.4 -32.0 40.3 14.2 45.5 107 143 A D H X S+ 0 0 16 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.883 101.3 59.9 -68.2 -38.9 39.7 15.9 42.1 108 144 A Q H X S+ 0 0 48 -4,-2.3 4,-2.3 2,-0.2 3,-0.6 0.970 103.5 55.3 -51.3 -59.1 36.2 16.8 43.3 109 145 A W H < S+ 0 0 154 -4,-1.8 2,-0.9 1,-0.2 9,-0.0 -0.413 112.3 32.8 -66.5 158.3 37.7 18.8 46.1 110 146 A K H > S+ 0 0 27 1,-0.2 4,-3.8 -2,-0.0 5,-0.4 -0.128 113.6 65.0 82.1 -43.6 40.1 21.3 44.5 111 147 A L H X>S+ 0 0 2 -4,-1.2 4,-2.2 -2,-0.9 6,-1.1 0.929 109.3 37.8 -71.9 -44.6 37.6 21.3 41.7 112 148 A L H X5S+ 0 0 77 -4,-2.3 4,-1.8 4,-0.3 -3,-0.2 0.939 122.2 47.1 -66.4 -46.6 35.3 22.9 44.2 113 149 A R H 45S+ 0 0 181 -5,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.958 119.3 35.4 -60.0 -56.5 38.2 24.8 45.7 114 150 A D H <5S+ 0 0 24 -4,-3.8 -3,-0.2 1,-0.1 -1,-0.2 0.859 140.5 9.2 -70.1 -38.2 39.7 26.2 42.5 115 151 A F H <5S- 0 0 41 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.474 88.7-121.1-124.1 -4.6 36.5 26.7 40.5 116 152 A D << + 0 0 107 -4,-1.8 2,-0.4 -5,-0.6 -4,-0.3 0.911 64.5 143.2 62.0 40.5 33.5 26.2 42.8 117 153 A I - 0 0 2 -6,-1.1 2,-0.9 -9,-0.2 -1,-0.3 -0.947 47.3-139.3-114.1 134.7 32.2 23.5 40.5 118 154 A K - 0 0 120 -2,-0.4 2,-0.2 -3,-0.1 -10,-0.1 -0.814 12.7-142.8 -99.8 99.7 30.6 20.5 42.1 119 155 A L - 0 0 1 -2,-0.9 2,-0.4 -11,-0.2 3,-0.2 -0.413 24.5-160.0 -60.0 121.5 31.6 17.3 40.3 120 156 A K + 0 0 99 -28,-2.4 -26,-0.1 -2,-0.2 -23,-0.1 -0.902 56.0 7.4-114.9 138.4 28.5 15.1 40.3 121 157 A N S S+ 0 0 56 -2,-0.4 -22,-1.9 1,-0.2 2,-0.3 0.992 76.4 166.4 63.9 65.8 28.3 11.3 39.8 122 158 A F E -f 99 0B 52 -3,-0.2 2,-0.5 -24,-0.2 -22,-0.2 -0.863 23.7-149.6-112.1 147.8 31.9 10.2 39.9 123 159 A V E -f 100 0B 22 -24,-2.9 -22,-1.7 -2,-0.3 2,-0.7 -0.975 11.4-137.8-121.5 125.7 33.1 6.7 40.2 124 160 A E E >> -f 101 0B 35 -2,-0.5 4,-1.5 -24,-0.2 3,-0.9 -0.715 14.0-147.9 -79.4 113.7 36.4 5.7 41.9 125 161 A L H 3> S+ 0 0 0 -24,-3.1 4,-2.7 -2,-0.7 5,-0.2 0.829 93.7 65.7 -53.7 -34.7 37.8 3.0 39.6 126 162 A T H 3> S+ 0 0 24 -25,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.909 104.0 44.7 -55.5 -43.9 39.5 1.3 42.6 127 163 A D H <> S+ 0 0 83 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.862 113.0 50.4 -70.5 -35.4 36.0 0.5 44.0 128 164 A V H X S+ 0 0 19 -4,-1.5 4,-2.4 2,-0.2 5,-0.3 0.867 110.5 50.0 -70.4 -35.7 34.7 -0.7 40.7 129 165 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.982 110.4 48.2 -65.4 -55.8 37.7 -3.0 40.1 130 166 A N H <>S+ 0 0 32 -4,-2.2 5,-1.8 -5,-0.2 4,-0.3 0.816 114.4 49.4 -53.7 -32.7 37.4 -4.6 43.6 131 167 A K H <5S+ 0 0 135 -4,-1.4 3,-0.4 3,-0.2 -1,-0.2 0.967 120.1 31.0 -72.8 -55.1 33.7 -5.1 42.9 132 168 A K H <5S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.794 120.8 50.9 -76.0 -30.3 33.8 -6.7 39.5 133 169 A L T <5S- 0 0 38 -4,-3.4 -1,-0.2 -5,-0.3 -3,-0.2 0.467 105.5-128.0 -86.4 -1.9 37.2 -8.4 39.9 134 170 A K T 5 + 0 0 193 -3,-0.4 2,-0.2 -4,-0.3 -3,-0.2 0.941 69.1 103.6 53.9 56.6 36.0 -10.0 43.2 135 171 A C < - 0 0 40 -5,-1.8 -1,-0.2 -6,-0.2 2,-0.2 -0.839 69.5-126.6-148.8-176.0 39.0 -8.8 45.2 136 172 A T + 0 0 131 -2,-0.2 2,-0.2 -3,-0.1 -9,-0.1 -0.628 49.9 146.8-143.7 76.0 40.2 -6.3 47.7 137 173 A E - 0 0 115 -11,-0.2 2,-0.9 -2,-0.2 -7,-0.1 -0.663 52.7-119.1-111.5 166.0 43.3 -4.6 46.3 138 174 A T - 0 0 140 -2,-0.2 2,-0.1 -8,-0.0 -2,-0.0 -0.826 44.3-165.8-107.0 90.3 44.8 -1.1 46.5 139 175 A W - 0 0 30 -2,-0.9 2,-0.3 -13,-0.1 -13,-0.1 -0.302 18.7-168.1 -80.6 159.6 44.7 -0.0 42.8 140 176 A S > - 0 0 52 1,-0.1 4,-1.5 -2,-0.1 5,-0.2 -0.820 41.4-107.3-131.4 167.1 46.4 2.9 41.0 141 177 A L H > S+ 0 0 28 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.927 122.2 51.1 -65.4 -40.0 45.5 3.9 37.5 142 178 A N H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 108.5 48.5 -61.5 -46.3 48.8 2.4 36.4 143 179 A S H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.792 111.6 51.1 -67.5 -27.4 48.3 -1.0 38.1 144 180 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.4 0.872 109.4 49.9 -74.5 -39.4 44.7 -1.2 36.6 145 181 A V H X>S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 6,-1.0 0.932 114.2 45.9 -63.5 -44.3 46.1 -0.5 33.1 146 182 A K H X5S+ 0 0 92 -4,-2.5 4,-1.7 4,-0.2 -2,-0.2 0.968 115.5 44.8 -61.8 -55.1 48.7 -3.2 33.7 147 183 A H H <5S+ 0 0 119 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.851 126.5 28.5 -58.9 -41.1 46.3 -5.8 35.1 148 184 A L H <5S+ 0 0 48 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.713 133.2 26.0 -96.7 -24.4 43.6 -5.3 32.5 149 185 A L H <5S- 0 0 55 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.572 91.0-122.9-118.2 -12.2 45.4 -4.1 29.4 150 186 A G S <> - 0 0 77 1,-0.2 4,-2.4 2,-0.1 3,-1.6 -0.594 38.3-155.8 -72.7 107.1 58.3 10.8 31.8 157 193 A K H 3> S+ 0 0 158 -2,-1.0 4,-2.0 1,-0.3 -1,-0.2 0.836 90.1 57.7 -51.1 -38.5 58.3 12.7 35.1 158 194 A S H 34 S+ 0 0 77 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.741 112.2 41.2 -67.3 -23.3 59.2 16.0 33.4 159 195 A I H X4 S+ 0 0 26 -3,-1.6 3,-1.7 2,-0.1 -2,-0.2 0.910 115.3 47.2 -86.8 -52.0 56.1 15.7 31.2 160 196 A R H 3< S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.785 121.5 38.8 -61.0 -29.5 53.6 14.5 33.8 161 197 A C T 3< S+ 0 0 77 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.038 93.3 125.5-112.9 31.6 54.8 17.2 36.2 162 198 A S S < S- 0 0 23 -3,-1.7 2,-2.0 1,-0.1 -113,-0.1 -0.216 80.0 -75.7 -82.8 175.3 55.2 19.9 33.6 163 199 A N > - 0 0 69 1,-0.2 3,-1.9 -113,-0.2 -1,-0.1 -0.527 50.1-179.5 -73.3 85.2 53.7 23.5 33.6 164 200 A W T 3 S+ 0 0 3 -2,-2.0 -1,-0.2 1,-0.3 -85,-0.1 0.685 77.6 59.3 -61.9 -17.8 50.2 22.4 32.5 165 201 A S T 3 S+ 0 0 46 -3,-0.1 2,-0.4 -86,-0.1 -1,-0.3 0.574 79.6 110.6 -87.1 -7.4 49.1 26.1 32.6 166 202 A K S < S- 0 0 116 -3,-1.9 -86,-0.1 2,-0.0 -87,-0.0 -0.520 74.5-107.4 -70.1 123.0 51.7 26.9 30.0 167 203 A F S S+ 0 0 88 -2,-0.4 2,-0.1 -88,-0.1 -2,-0.1 -0.870 92.2 28.7-107.3 137.7 50.0 27.8 26.7 168 204 A P S S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.598 87.2-127.1 -89.2 168.4 50.0 26.2 24.3 169 205 A L - 0 0 6 -2,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.361 25.6-119.5 -67.5 150.7 50.2 22.6 25.4 170 206 A T > - 0 0 70 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.475 25.5-108.2 -86.1 164.0 53.0 20.5 23.8 171 207 A E H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.872 122.4 53.0 -61.2 -34.3 52.1 17.4 21.7 172 208 A D H > S+ 0 0 90 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.961 107.6 48.9 -65.5 -49.2 53.5 15.3 24.6 173 209 A Q H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.935 112.0 50.5 -54.8 -45.8 51.4 17.1 27.2 174 210 A K H X S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.874 112.4 46.1 -60.0 -40.0 48.3 16.5 25.0 175 211 A L H X S+ 0 0 37 -4,-2.1 4,-2.9 -5,-0.2 -162,-0.3 0.942 114.3 47.1 -69.4 -48.4 49.1 12.8 24.5 176 212 A Y H X S+ 0 0 20 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.968 116.7 42.3 -57.3 -55.6 49.8 12.2 28.2 177 213 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.899 116.3 48.9 -59.8 -42.5 46.7 14.0 29.5 178 214 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.929 110.9 49.7 -63.5 -45.9 44.5 12.5 26.8 179 215 A T H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.862 105.5 57.6 -63.5 -37.0 45.8 9.0 27.4 180 216 A D H X S+ 0 0 6 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.919 110.8 41.7 -61.6 -43.1 45.2 9.3 31.2 181 217 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -114,-0.2 0.849 112.5 57.4 -71.6 -31.8 41.5 10.0 30.7 182 218 A Y H X S+ 0 0 46 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.926 102.8 52.4 -61.3 -48.2 41.4 7.3 28.0 183 219 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.940 107.2 54.3 -53.8 -46.4 42.6 4.7 30.5 184 220 A G H X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.894 110.9 44.8 -54.8 -43.5 39.8 5.8 32.8 185 221 A F H X S+ 0 0 31 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.926 116.2 44.7 -67.6 -46.4 37.2 5.2 30.0 186 222 A I H X S+ 0 0 5 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.899 112.5 51.7 -66.4 -42.0 38.7 1.9 28.9 187 223 A I H X S+ 0 0 0 -4,-3.3 4,-2.4 -5,-0.3 5,-0.2 0.934 112.6 45.2 -61.3 -47.6 39.1 0.6 32.4 188 224 A Y H X S+ 0 0 39 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.959 113.1 50.7 -61.6 -50.2 35.5 1.4 33.4 189 225 A R H X S+ 0 0 89 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.927 113.5 43.7 -52.4 -51.6 34.1 -0.1 30.2 190 226 A N H X S+ 0 0 47 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.908 114.8 48.8 -62.7 -43.9 36.0 -3.4 30.5 191 227 A L H < S+ 0 0 0 -4,-2.4 3,-0.5 -5,-0.2 -1,-0.2 0.872 109.8 53.5 -63.3 -38.1 35.2 -3.8 34.2 192 228 A E H < S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.805 100.1 59.2 -69.0 -32.0 31.5 -3.0 33.6 193 229 A I H < S+ 0 0 131 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.785 86.9 100.6 -69.2 -26.3 31.0 -5.7 30.9 194 230 A L < 0 0 73 -4,-0.8 -61,-0.0 -3,-0.5 -3,-0.0 -0.245 360.0 360.0 -62.0 145.6 32.1 -8.4 33.4 195 231 A D 0 0 197 -63,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.012 360.0 360.0-177.7 360.0 29.5 -10.6 35.2