==== 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 2FBT . COMPND 2 MOLECULE: WERNER SYNDROME HELICASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.PERRY . 196 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 67.3 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 . 15 7.7 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 . 15 7.7 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 . 63 32.1 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 0 1 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 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 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 36 A H 0 0 239 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.4 66.9 -9.9 38.4 2 37 A H - 0 0 96 0, 0.0 5,-0.0 0, 0.0 2,-0.0 -0.989 360.0 -99.1-160.4 157.5 63.1 -9.6 38.4 3 38 A S > - 0 0 58 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.221 37.9-106.1 -76.8 167.3 59.9 -11.6 37.7 4 39 A V G > S+ 0 0 122 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.894 121.7 61.0 -58.2 -39.9 57.8 -11.5 34.5 5 40 A F G 3 S+ 0 0 193 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.731 102.9 51.5 -60.0 -23.1 55.2 -9.5 36.5 6 41 A E G < S+ 0 0 123 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.379 84.4 120.1 -96.5 3.1 57.9 -6.8 37.0 7 42 A D S < S- 0 0 73 -3,-2.1 2,-0.6 -4,-0.2 -4,-0.0 -0.241 76.0-100.3 -63.5 156.6 58.7 -6.6 33.3 8 43 A D - 0 0 129 1,-0.0 -1,-0.1 145,-0.0 3,-0.1 -0.709 42.0-152.4 -82.1 121.5 58.3 -3.3 31.5 9 44 A L - 0 0 61 -2,-0.6 143,-0.2 1,-0.1 144,-0.1 -0.424 27.3 -85.6 -90.2 167.0 55.0 -3.4 29.6 10 45 A P - 0 0 83 0, 0.0 143,-2.4 0, 0.0 2,-0.3 -0.314 53.6-100.7 -66.7 158.6 54.2 -1.4 26.4 11 46 A F E -a 153 0A 80 141,-0.2 2,-0.4 -3,-0.1 143,-0.2 -0.616 26.4-121.8 -86.0 140.9 52.9 2.1 27.0 12 47 A L E +a 154 0A 4 141,-2.7 143,-0.5 -2,-0.3 2,-0.4 -0.682 38.3 175.6 -78.3 128.7 49.2 3.0 26.8 13 48 A E - 0 0 97 -2,-0.4 2,-0.3 141,-0.1 164,-0.1 -0.969 29.3-129.8-141.4 122.2 48.7 5.7 24.1 14 49 A F + 0 0 9 -2,-0.4 166,-0.1 162,-0.4 165,-0.1 -0.545 24.3 178.0 -70.8 128.3 45.4 7.1 22.9 15 50 A T + 0 0 136 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.240 49.7 91.8-115.2 9.9 45.3 7.0 19.1 16 51 A G S S- 0 0 30 1,-0.2 2,-0.5 55,-0.1 57,-0.2 0.044 92.1 -49.1 -86.9-158.1 41.8 8.4 18.6 17 52 A S E -b 73 0B 60 55,-2.8 57,-2.7 2,-0.0 2,-0.7 -0.648 46.6-162.2 -81.8 122.4 40.6 12.0 18.1 18 53 A I E -b 74 0B 54 -2,-0.5 2,-0.7 55,-0.2 57,-0.2 -0.915 6.9-158.7-106.5 108.9 42.0 14.5 20.6 19 54 A V E -b 75 0B 36 55,-2.7 57,-3.3 -2,-0.7 2,-0.5 -0.801 6.6-161.7 -91.6 111.7 39.8 17.7 20.6 20 55 A Y E +b 76 0B 44 -2,-0.7 2,-0.4 55,-0.2 57,-0.2 -0.850 11.6 178.8 -99.1 124.7 41.8 20.6 22.0 21 56 A S E +b 77 0B 1 55,-2.8 57,-2.9 -2,-0.5 3,-0.0 -0.992 19.2 162.7-129.3 132.4 39.7 23.6 23.1 22 57 A Y + 0 0 97 -2,-0.4 2,-0.4 55,-0.2 -1,-0.1 0.203 56.7 80.8-132.1 14.4 41.0 26.8 24.6 23 58 A D S > S- 0 0 86 1,-0.1 4,-2.5 59,-0.1 5,-0.2 -0.989 73.3-131.9-125.7 133.9 38.1 29.2 24.2 24 59 A A H > S+ 0 0 19 -2,-0.4 4,-2.3 1,-0.2 64,-0.2 0.873 101.9 42.6 -50.7 -54.3 35.1 29.3 26.5 25 60 A S H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.899 112.8 53.8 -66.6 -37.5 32.2 29.4 24.0 26 61 A D H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.968 110.6 48.9 -55.4 -51.5 33.8 26.7 21.8 27 62 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.872 108.8 52.0 -56.6 -42.9 34.1 24.6 25.0 28 63 A S H X S+ 0 0 24 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.927 112.7 44.0 -63.1 -44.3 30.4 25.2 25.9 29 64 A F H X S+ 0 0 123 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.887 112.0 53.9 -67.4 -36.4 29.2 24.1 22.5 30 65 A L H X S+ 0 0 17 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.907 105.3 54.4 -61.4 -41.3 31.6 21.2 22.6 31 66 A S H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.828 107.4 50.0 -62.8 -31.2 30.1 20.2 25.9 32 67 A E H X S+ 0 0 112 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.835 105.9 55.9 -75.2 -32.4 26.7 20.2 24.2 33 68 A D H X S+ 0 0 71 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.928 107.0 50.4 -62.1 -43.6 28.0 18.0 21.5 34 69 A I H >X S+ 0 0 1 -4,-2.2 3,-0.8 1,-0.2 4,-0.7 0.925 109.1 51.5 -59.4 -44.9 29.1 15.5 24.2 35 70 A S H 3< S+ 0 0 55 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.804 107.1 52.9 -63.0 -31.4 25.6 15.7 25.7 36 71 A M H 3< S+ 0 0 141 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.704 109.1 50.6 -78.0 -18.0 24.0 14.9 22.3 37 72 A S H << S+ 0 0 74 -4,-1.1 2,-0.3 -3,-0.8 -1,-0.2 0.537 107.7 59.4 -95.8 -8.6 26.2 11.9 21.9 38 73 A L < - 0 0 32 -4,-0.7 2,-0.3 -3,-0.3 60,-0.0 -0.750 64.6-149.7-117.7 166.0 25.4 10.3 25.3 39 74 A S > - 0 0 77 -2,-0.3 3,-2.3 1,-0.1 -3,-0.0 -0.882 47.7 -63.9-128.8 160.6 22.3 9.1 27.0 40 75 A D T 3 S+ 0 0 137 -2,-0.3 58,-0.2 1,-0.3 57,-0.1 -0.112 121.9 24.2 -45.5 134.1 21.5 9.0 30.8 41 76 A G T 3 S+ 0 0 47 56,-2.4 -1,-0.3 1,-0.3 57,-0.1 0.198 84.5 138.3 95.3 -18.2 23.8 6.7 32.6 42 77 A D < - 0 0 58 -3,-2.3 57,-2.5 55,-0.3 2,-0.4 -0.269 44.0-139.0 -62.4 150.3 26.7 6.8 30.2 43 78 A V E -c 99 0B 19 55,-0.2 2,-0.3 -3,-0.1 57,-0.2 -0.946 14.4-166.2-118.5 131.4 30.2 7.1 31.8 44 79 A V E -c 100 0B 3 55,-2.8 57,-2.8 -2,-0.4 2,-0.3 -0.831 28.9-110.7-112.6 151.2 33.1 9.2 30.6 45 80 A G E -cD 101 68B 0 23,-2.6 23,-2.3 -2,-0.3 2,-0.4 -0.648 40.8-160.2 -78.5 136.6 36.7 8.9 31.6 46 81 A F E + D 0 67B 3 55,-3.1 2,-0.3 -2,-0.3 57,-0.2 -0.928 23.7 140.1-124.9 146.5 37.7 11.9 33.7 47 82 A D E - D 0 66B 29 19,-1.5 19,-3.3 -2,-0.4 2,-0.3 -0.964 20.4-161.2-169.2 163.9 41.0 13.6 34.6 48 83 A M E - D 0 65B 2 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.955 6.2-146.5-149.4 166.8 42.5 17.1 35.1 49 84 A E E - D 0 64B 19 15,-2.1 14,-3.0 -2,-0.3 15,-1.8 -0.954 8.8-171.6-137.7 156.5 45.9 18.7 35.3 50 85 A W - 0 0 79 -2,-0.3 115,-0.2 12,-0.3 12,-0.2 -0.980 31.6 -94.7-146.3 153.5 47.5 21.7 37.1 51 86 A P - 0 0 22 0, 0.0 9,-0.7 0, 0.0 113,-0.2 -0.162 33.8-116.6 -64.8 162.7 50.8 23.6 37.0 52 87 A P S S+ 0 0 66 0, 0.0 8,-0.2 0, 0.0 111,-0.1 0.898 83.2 89.1 -68.1 -48.3 53.8 22.8 39.3 53 88 A L S S- 0 0 146 6,-0.1 2,-0.2 1,-0.1 7,-0.1 -0.232 77.0-121.9 -58.3 140.9 54.2 26.0 41.4 54 89 A Y - 0 0 172 5,-0.1 2,-0.5 6,-0.1 5,-0.2 -0.525 18.7-150.1 -83.5 151.5 52.1 26.3 44.6 55 90 A N B > -G 58 0C 81 3,-2.7 3,-1.8 -2,-0.2 -1,-0.0 -0.977 67.7 -30.0-128.5 118.3 49.7 29.1 45.1 56 91 A R T 3 S- 0 0 218 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.861 127.3 -41.9 42.5 51.3 48.9 30.4 48.6 57 92 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.508 122.9 85.8 81.5 5.7 49.6 27.1 50.3 58 93 A K B < S-G 55 0C 64 -3,-1.8 -3,-2.7 1,-0.1 -1,-0.2 -0.841 85.1 -76.5-134.6 170.4 47.8 24.8 47.8 59 94 A L - 0 0 64 -2,-0.3 -5,-0.1 -5,-0.2 3,-0.1 -0.224 67.3 -80.6 -60.2 154.6 48.4 23.0 44.5 60 95 A G - 0 0 4 -9,-0.7 -1,-0.1 -8,-0.2 3,-0.1 -0.212 61.6 -87.8 -55.7 151.2 48.5 25.1 41.4 61 96 A K - 0 0 114 1,-0.1 -1,-0.1 -3,-0.1 51,-0.1 -0.348 53.1 -88.7 -64.8 138.6 45.0 25.9 40.1 62 97 A V + 0 0 2 49,-0.2 -12,-0.3 -12,-0.2 -1,-0.1 -0.199 49.0 172.9 -48.2 129.6 43.4 23.4 37.7 63 98 A A + 0 0 1 -14,-3.0 17,-2.0 1,-0.3 2,-0.3 0.612 59.1 34.3-115.9 -22.1 44.4 24.3 34.2 64 99 A L E -D 49 0B 0 -15,-1.8 -15,-2.1 14,-0.2 2,-0.4 -0.995 55.6-166.6-139.9 142.6 43.1 21.4 32.1 65 100 A I E -DE 48 77B 0 12,-1.7 12,-3.0 -2,-0.3 2,-0.4 -0.999 12.9-159.8-128.8 132.0 40.1 19.1 32.2 66 101 A Q E -DE 47 76B 0 -19,-3.3 -19,-1.5 -2,-0.4 2,-0.4 -0.933 10.4-177.3-118.7 136.1 39.9 16.0 30.2 67 102 A L E -DE 46 75B 2 8,-2.2 8,-3.1 -2,-0.4 2,-0.8 -0.952 8.4-166.0-132.7 112.7 36.8 14.0 29.2 68 103 A C E +DE 45 74B 0 -23,-2.3 -23,-2.6 -2,-0.4 6,-0.2 -0.883 12.6 174.5 -97.0 112.3 37.1 10.7 27.2 69 104 A V E + 0 0 12 4,-1.3 2,-0.3 -2,-0.8 5,-0.1 0.553 62.0 2.5 -97.9 -10.0 33.5 10.1 26.0 70 105 A S E > S- E 0 73B 35 3,-1.2 3,-1.0 -25,-0.1 -1,-0.1 -0.952 84.2 -89.0-161.9 174.0 34.2 7.1 23.8 71 106 A E T 3 S+ 0 0 117 -2,-0.3 -55,-0.1 1,-0.2 3,-0.1 0.646 125.4 38.7 -69.0 -13.3 37.0 4.8 22.7 72 107 A S T 3 S+ 0 0 70 1,-0.2 -55,-2.8 -56,-0.1 2,-0.3 0.298 111.1 56.1-120.8 10.8 37.8 7.1 19.8 73 108 A K E < +bE 17 70B 80 -3,-1.0 -4,-1.3 -57,-0.2 -3,-1.2 -0.954 47.0 172.4-151.4 129.2 37.3 10.6 21.2 74 109 A C E -bE 18 68B 0 -57,-2.7 -55,-2.7 -2,-0.3 2,-0.4 -0.996 20.5-142.9-133.4 137.2 38.7 12.6 24.1 75 110 A Y E -bE 19 67B 12 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.6 -0.860 5.4-161.9-105.4 134.2 38.3 16.3 24.9 76 111 A L E -bE 20 66B 0 -57,-3.3 -55,-2.8 -2,-0.4 2,-0.8 -0.946 6.0-168.3-113.7 108.5 40.9 18.6 26.3 77 112 A F E -bE 21 65B 0 -12,-3.0 2,-2.1 -2,-0.6 -12,-1.7 -0.857 7.0-159.9-101.8 101.4 39.4 21.8 27.8 78 113 A H > + 0 0 0 -57,-2.9 3,-2.0 -2,-0.8 4,-0.2 -0.503 20.5 169.3 -81.0 71.4 42.3 24.1 28.5 79 114 A V G > + 0 0 8 -2,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.717 66.2 70.8 -60.1 -24.4 40.4 26.3 31.0 80 115 A S G 3 S+ 0 0 52 -17,-2.0 -1,-0.3 1,-0.3 -16,-0.1 0.694 101.1 49.1 -66.9 -15.4 43.5 28.2 32.2 81 116 A S G < S+ 0 0 41 -3,-2.0 2,-0.4 -18,-0.3 -1,-0.3 0.424 93.6 96.3 -99.9 -3.2 43.4 29.8 28.8 82 117 A M S < S- 0 0 20 -3,-1.5 -59,-0.1 -4,-0.2 3,-0.0 -0.765 70.5-140.7 -95.4 133.9 39.7 30.7 29.0 83 118 A S S S+ 0 0 125 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.810 90.6 12.0 -58.0 -33.3 38.6 34.2 30.2 84 119 A V S S- 0 0 93 -3,-0.0 -1,-0.1 0, 0.0 -60,-0.1 -0.955 95.7 -90.6-141.4 156.5 35.7 32.6 32.1 85 120 A F - 0 0 36 -2,-0.3 2,-0.2 1,-0.1 5,-0.0 -0.593 55.4-105.2 -72.2 126.1 34.9 29.0 33.1 86 121 A P > - 0 0 1 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.316 23.0-149.3 -56.1 118.8 32.7 27.6 30.3 87 122 A Q H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.852 95.7 54.9 -57.6 -41.4 29.1 27.4 31.4 88 123 A G H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.839 109.2 47.8 -64.4 -32.8 28.4 24.3 29.2 89 124 A L H > S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.901 109.9 52.8 -73.5 -41.5 31.3 22.4 30.8 90 125 A K H X S+ 0 0 64 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.960 110.4 47.3 -56.6 -51.8 30.1 23.4 34.3 91 126 A M H < S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.866 112.1 51.0 -59.0 -37.7 26.6 22.1 33.6 92 127 A L H >< S+ 0 0 6 -4,-1.5 3,-1.0 1,-0.2 6,-0.3 0.928 111.9 45.6 -67.1 -44.4 28.1 18.9 32.1 93 128 A L H 3< S+ 0 0 0 -4,-2.9 28,-2.8 1,-0.2 -2,-0.2 0.838 116.0 46.7 -67.9 -31.9 30.3 18.3 35.2 94 129 A E T 3< S+ 0 0 58 -4,-2.3 2,-0.7 -5,-0.2 -1,-0.2 0.354 89.0 109.4 -90.4 6.3 27.4 19.1 37.6 95 130 A N X - 0 0 65 -3,-1.0 3,-1.8 -4,-0.2 26,-0.1 -0.747 54.8-160.5 -91.7 113.1 25.0 16.9 35.6 96 131 A K T 3 S+ 0 0 152 -2,-0.7 -55,-0.2 1,-0.3 -1,-0.1 0.687 86.8 75.5 -61.0 -18.8 24.0 13.6 37.4 97 132 A A T 3 S+ 0 0 22 1,-0.1 -56,-2.4 -57,-0.1 2,-0.5 0.786 93.1 56.7 -65.3 -27.9 22.9 12.3 34.0 98 133 A V S < S- 0 0 9 -3,-1.8 2,-0.3 -6,-0.3 -55,-0.2 -0.931 77.6-147.6-112.5 124.2 26.6 11.7 33.1 99 134 A K E -c 43 0B 49 -57,-2.5 -55,-2.8 -2,-0.5 2,-0.5 -0.684 8.5-152.6 -88.8 138.9 28.9 9.6 35.2 100 135 A K E -cf 44 123B 2 22,-2.2 24,-2.6 -2,-0.3 2,-0.4 -0.957 10.6-161.5-115.4 126.4 32.6 10.5 35.5 101 136 A A E +cf 45 124B 0 -57,-2.8 -55,-3.1 -2,-0.5 2,-0.3 -0.860 28.3 112.4-112.8 143.5 35.1 7.8 36.2 102 137 A G E - f 0 125B 4 22,-1.6 24,-2.8 -2,-0.4 2,-0.4 -0.971 58.2 -86.7-179.8-177.7 38.7 8.0 37.5 103 138 A V S S+ 0 0 43 -2,-0.3 39,-0.1 -57,-0.2 22,-0.1 -0.958 110.1 14.0-115.0 131.3 41.1 7.3 40.3 104 139 A G S >> S+ 0 0 40 -2,-0.4 4,-1.4 3,-0.1 3,-0.6 0.670 84.2 145.5 78.5 17.2 41.5 9.8 43.1 105 140 A I H 3> + 0 0 0 -3,-0.3 4,-2.3 1,-0.3 5,-0.1 0.812 61.1 60.3 -57.9 -35.3 38.4 11.3 41.7 106 141 A E H 3> S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.899 104.7 49.7 -62.5 -39.5 37.1 12.4 45.1 107 142 A G H <> S+ 0 0 40 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.861 108.1 54.3 -66.1 -33.8 40.2 14.5 45.5 108 143 A D H X S+ 0 0 17 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.900 104.0 54.9 -65.7 -40.8 39.4 16.0 42.1 109 144 A Q H X S+ 0 0 63 -4,-2.3 4,-2.2 2,-0.2 11,-0.3 0.940 109.5 47.6 -56.0 -48.8 36.0 16.9 43.3 110 145 A W H X S+ 0 0 139 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.953 114.4 44.4 -58.1 -53.6 37.4 18.8 46.2 111 146 A K H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.861 111.6 54.2 -61.8 -36.4 40.0 20.7 44.1 112 147 A L H X>S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 6,-1.0 0.908 110.3 46.7 -64.8 -41.3 37.5 21.4 41.4 113 148 A L H X5S+ 0 0 72 -4,-2.2 4,-1.7 4,-0.2 -2,-0.2 0.926 114.4 47.3 -66.7 -43.6 35.2 23.0 44.0 114 149 A R H <5S+ 0 0 139 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 118.7 39.1 -64.3 -44.9 38.0 25.0 45.6 115 150 A D H <5S+ 0 0 29 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.846 137.8 7.9 -77.5 -35.4 39.3 26.3 42.3 116 151 A F H <5S- 0 0 44 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.431 90.0-117.8-128.2 -0.6 36.1 27.0 40.3 117 152 A D << + 0 0 114 -4,-1.7 2,-0.4 -5,-0.5 -4,-0.2 0.884 66.5 144.2 61.9 39.1 33.2 26.6 42.7 118 153 A I - 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0 0 73 1,-0.2 4,-2.3 2,-0.1 3,-1.4 -0.517 36.6-160.2 -67.3 107.5 58.0 11.0 31.8 158 193 A K H 3> S+ 0 0 151 -2,-0.9 4,-2.5 1,-0.3 -1,-0.2 0.832 87.1 60.3 -57.4 -37.5 57.9 13.0 35.0 159 194 A S H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.727 111.5 42.3 -66.1 -19.6 59.0 16.2 33.3 160 195 A I H X4 S+ 0 0 21 -3,-1.4 3,-1.5 2,-0.1 -2,-0.2 0.867 113.0 49.5 -91.3 -44.4 55.9 16.0 31.2 161 196 A R H 3< S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.848 119.9 38.5 -63.5 -33.6 53.4 14.9 33.9 162 197 A C T 3< S+ 0 0 69 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.042 94.2 126.9-104.4 24.9 54.6 17.7 36.2 163 198 A S S < S- 0 0 21 -3,-1.5 2,-1.7 1,-0.1 -113,-0.1 -0.165 79.6 -79.8 -74.8 173.5 55.0 20.2 33.3 164 199 A N > + 0 0 70 1,-0.2 3,-1.9 -113,-0.2 -1,-0.1 -0.571 48.3 179.2 -77.7 87.1 53.4 23.7 33.2 165 200 A W T 3 S+ 0 0 3 -2,-1.7 -1,-0.2 1,-0.3 -85,-0.2 0.603 76.8 63.3 -65.9 -10.3 49.9 22.7 32.2 166 201 A S T 3 S+ 0 0 49 -3,-0.1 2,-0.4 -86,-0.1 -1,-0.3 0.529 78.1 106.7 -90.9 -5.9 48.9 26.3 32.3 167 202 A K S < S- 0 0 123 -3,-1.9 -86,-0.1 2,-0.1 -87,-0.1 -0.594 77.2-104.4 -76.8 126.1 51.3 27.2 29.5 168 203 A F S S+ 0 0 90 -2,-0.4 2,-0.1 -88,-0.1 -2,-0.1 -0.850 93.4 25.9-103.4 134.4 49.5 27.9 26.2 169 204 A P S S- 0 0 71 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.615 85.2-127.1 -93.4 170.7 49.4 26.1 24.0 170 205 A L - 0 0 6 -2,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.405 27.9-118.2 -68.8 148.6 49.9 22.5 25.2 171 206 A T > - 0 0 78 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.434 27.0-106.1 -81.9 164.6 52.6 20.6 23.4 172 207 A E H > S+ 0 0 169 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 123.1 52.4 -58.6 -37.6 51.8 17.4 21.5 173 208 A D H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.896 108.4 49.2 -65.0 -42.9 53.2 15.4 24.3 174 209 A Q H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 111.3 49.7 -62.8 -45.4 51.1 17.1 26.9 175 210 A K H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.920 112.4 47.8 -59.4 -44.1 48.0 16.6 24.8 176 211 A L H X S+ 0 0 37 -4,-2.3 4,-2.4 -5,-0.2 -162,-0.4 0.933 113.6 46.8 -62.9 -47.3 48.8 12.9 24.4 177 212 A Y H X S+ 0 0 18 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.944 115.8 44.3 -59.7 -50.1 49.5 12.3 28.1 178 213 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.893 114.9 48.4 -63.4 -43.1 46.4 14.2 29.3 179 214 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.913 110.4 51.1 -64.3 -44.8 44.1 12.5 26.7 180 215 A T H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.851 104.7 56.5 -64.2 -36.7 45.4 9.0 27.5 181 216 A D H X S+ 0 0 8 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.906 112.0 42.0 -63.5 -39.8 44.9 9.3 31.2 182 217 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -114,-0.2 0.872 112.8 55.2 -73.0 -34.8 41.2 10.1 30.7 183 218 A Y H X S+ 0 0 47 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.902 104.0 54.1 -61.9 -43.1 41.1 7.4 28.1 184 219 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.930 107.0 51.6 -57.3 -45.9 42.4 4.9 30.6 185 220 A G H X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.889 111.4 47.4 -59.0 -40.6 39.6 5.8 32.9 186 221 A F H X S+ 0 0 28 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.927 114.8 43.9 -67.2 -47.3 37.0 5.3 30.2 187 222 A I H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.889 112.1 53.1 -66.0 -42.0 38.3 1.9 29.1 188 223 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.941 111.2 46.0 -60.6 -48.1 38.8 0.6 32.6 189 224 A Y H X S+ 0 0 37 -4,-1.9 4,-3.4 -5,-0.3 5,-0.2 0.960 114.7 47.7 -60.1 -50.2 35.2 1.4 33.6 190 225 A R H X S+ 0 0 95 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.903 112.8 47.6 -57.0 -45.6 33.9 -0.1 30.4 191 226 A N H X S+ 0 0 44 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.869 117.2 43.6 -65.6 -35.0 35.9 -3.3 30.7 192 227 A L H >< S+ 0 0 1 -4,-2.3 3,-1.0 -5,-0.2 -2,-0.2 0.914 107.8 57.9 -75.1 -44.0 34.9 -3.6 34.3 193 228 A E H 3< S+ 0 0 108 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.807 100.6 57.7 -56.5 -34.4 31.2 -2.8 33.9 194 229 A I H 3< S+ 0 0 119 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.783 86.6 98.6 -70.7 -27.2 30.7 -5.6 31.4 195 230 A L << 0 0 69 -3,-1.0 -61,-0.1 -4,-0.5 -3,-0.0 -0.207 360.0 360.0 -62.0 152.9 31.9 -8.3 33.9 196 231 A D 0 0 204 -63,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.419 360.0 360.0 164.9 360.0 29.3 -10.3 35.8