==== 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 10-DEC-05 2FC0 . COMPND 2 MOLECULE: WERNER SYNDROME HELICASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.PERRY,J.A.TAINER . 196 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 8.2 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 . 17 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 32.7 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 0 2 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 . 1 0 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 . 0 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 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 0 242 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.2 -2.1 17.2 25.0 2 37 A H - 0 0 103 1,-0.1 2,-0.1 2,-0.0 5,-0.0 -0.823 360.0-108.1-125.1 163.9 -0.0 20.3 24.3 3 38 A S > - 0 0 61 -2,-0.3 3,-0.8 1,-0.1 4,-0.2 -0.255 35.3-104.5 -82.7 173.0 -0.6 23.9 23.4 4 39 A V G > S+ 0 0 121 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.855 120.8 62.8 -65.8 -35.2 0.1 25.6 20.0 5 40 A F G 3 S+ 0 0 197 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.762 102.0 52.5 -61.4 -23.4 3.1 27.3 21.5 6 41 A E G < S+ 0 0 117 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.430 83.2 120.0 -93.0 -0.9 4.5 23.8 22.1 7 42 A D S < S- 0 0 75 -3,-1.8 2,-0.4 -4,-0.2 -4,-0.0 -0.188 75.7 -96.7 -60.5 157.8 4.0 22.7 18.5 8 43 A D - 0 0 123 1,-0.0 -1,-0.1 145,-0.0 3,-0.1 -0.660 40.6-154.9 -81.7 128.8 7.1 21.6 16.5 9 44 A L - 0 0 66 -2,-0.4 143,-0.2 1,-0.2 144,-0.1 -0.493 32.2 -81.1 -96.5 167.6 8.6 24.4 14.4 10 45 A P - 0 0 84 0, 0.0 143,-2.4 0, 0.0 2,-0.3 -0.315 55.6-103.4 -63.9 157.0 10.7 24.0 11.3 11 46 A F B -a 153 0A 79 141,-0.2 2,-0.5 -3,-0.1 143,-0.2 -0.618 25.5-122.0 -85.6 142.5 14.4 23.3 12.0 12 47 A L + 0 0 5 141,-2.9 143,-0.5 -2,-0.3 2,-0.4 -0.711 39.5 175.4 -80.8 127.3 17.0 26.0 11.6 13 48 A E - 0 0 92 -2,-0.5 2,-0.4 141,-0.1 164,-0.1 -0.975 29.6-132.4-141.2 124.8 19.6 24.8 9.1 14 49 A F + 0 0 7 -2,-0.4 166,-0.1 162,-0.4 165,-0.1 -0.617 24.1 176.6 -74.9 125.7 22.5 26.7 7.7 15 50 A T + 0 0 135 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.316 46.5 96.9-112.6 6.3 22.6 26.3 3.9 16 51 A G S S- 0 0 29 55,-0.2 2,-0.3 1,-0.2 57,-0.2 0.116 87.4 -55.3 -80.1-161.8 25.6 28.5 3.1 17 52 A S E -b 73 0B 68 55,-3.0 57,-2.4 2,-0.0 2,-0.5 -0.635 46.7-156.6 -83.4 134.0 29.2 27.6 2.5 18 53 A I E -b 74 0B 56 -2,-0.3 2,-0.7 55,-0.2 57,-0.2 -0.953 0.6-158.0-114.3 119.0 31.1 25.7 5.3 19 54 A V E -b 75 0B 39 55,-2.5 57,-3.2 -2,-0.5 2,-0.6 -0.871 10.1-161.1 -97.9 113.8 34.9 26.0 5.4 20 55 A Y E +b 76 0B 38 -2,-0.7 2,-0.4 55,-0.2 57,-0.2 -0.866 11.3 180.0-100.8 122.5 36.3 23.0 7.3 21 56 A S E +b 77 0B 0 55,-2.7 57,-2.8 -2,-0.6 3,-0.0 -0.984 19.2 161.7-125.8 132.0 39.9 23.4 8.6 22 57 A Y + 0 0 93 -2,-0.4 2,-0.4 55,-0.2 -1,-0.1 0.109 56.1 81.3-135.7 22.7 41.9 20.8 10.5 23 58 A D S > S- 0 0 83 1,-0.1 4,-2.5 59,-0.1 5,-0.2 -0.999 72.9-132.6-132.6 132.6 45.5 22.1 10.2 24 59 A A H > S+ 0 0 15 -2,-0.4 4,-2.3 1,-0.2 64,-0.2 0.902 103.3 42.5 -50.6 -57.6 47.0 24.8 12.3 25 60 A S H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.904 113.3 53.2 -61.0 -41.5 48.6 27.0 9.7 26 61 A D H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.957 110.6 49.0 -56.5 -48.5 45.6 26.7 7.4 27 62 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.884 108.1 53.3 -58.8 -42.3 43.4 27.9 10.2 28 63 A S H X S+ 0 0 21 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.919 111.9 44.6 -61.6 -43.6 45.7 30.8 11.0 29 64 A F H X S+ 0 0 122 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.879 110.8 53.9 -68.6 -37.8 45.6 32.0 7.4 30 65 A L H X S+ 0 0 20 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.920 106.6 53.2 -60.6 -42.0 41.8 31.5 7.3 31 66 A S H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.842 107.8 50.0 -62.6 -34.5 41.5 33.7 10.4 32 67 A E H X S+ 0 0 105 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.845 106.6 56.0 -72.0 -33.1 43.5 36.4 8.6 33 68 A D H X S+ 0 0 74 -4,-2.0 4,-1.0 2,-0.2 3,-0.2 0.954 109.1 47.3 -60.1 -48.1 41.1 36.0 5.7 34 69 A I H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.936 109.6 52.4 -57.8 -48.8 38.3 36.7 8.2 35 70 A S H >< S+ 0 0 55 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.820 106.0 55.2 -58.7 -31.8 40.1 39.7 9.6 36 71 A M H 3< S+ 0 0 142 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.739 107.0 50.2 -74.4 -21.7 40.6 41.2 6.1 37 72 A S H << S+ 0 0 72 -3,-1.1 2,-0.3 -4,-1.0 -1,-0.2 0.434 104.9 68.1 -95.8 -0.6 36.8 41.0 5.5 38 73 A L << - 0 0 34 -3,-0.7 2,-0.3 -4,-0.5 3,-0.0 -0.802 63.0-149.9-119.2 160.8 35.8 42.8 8.7 39 74 A S > - 0 0 74 -2,-0.3 3,-2.3 1,-0.1 -2,-0.0 -0.839 47.3 -68.5-122.4 161.5 36.1 46.3 10.1 40 75 A D T 3 S+ 0 0 138 -2,-0.3 58,-0.2 1,-0.3 3,-0.1 -0.195 122.1 24.6 -49.8 134.8 36.3 47.3 13.8 41 76 A G T 3 S+ 0 0 47 56,-2.4 -1,-0.3 1,-0.3 57,-0.1 0.224 87.7 135.8 94.2 -15.6 33.0 46.7 15.6 42 77 A D < - 0 0 58 -3,-2.3 57,-2.3 55,-0.4 -1,-0.3 -0.278 44.9-135.0 -66.8 154.5 31.8 43.9 13.3 43 78 A V E -c 99 0B 22 55,-0.2 2,-0.3 -3,-0.1 57,-0.2 -0.753 16.2-168.0-113.1 156.8 30.3 40.8 14.8 44 79 A V E -c 100 0B 4 55,-1.8 57,-2.7 -2,-0.3 2,-0.3 -0.978 28.9-112.9-138.6 149.2 30.7 37.1 14.2 45 80 A G E -cD 101 68B 0 23,-3.2 23,-2.3 -2,-0.3 2,-0.3 -0.675 40.1-167.3 -81.5 140.5 28.6 34.2 15.4 46 81 A F E + D 0 67B 3 55,-2.5 2,-0.3 -2,-0.3 57,-0.3 -0.980 21.5 141.3-136.2 144.1 30.5 32.0 17.8 47 82 A D E - D 0 66B 26 19,-1.4 19,-2.8 -2,-0.3 2,-0.3 -0.951 22.3-156.4-165.4 164.2 30.2 28.5 19.4 48 83 A M E - D 0 65B 2 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.982 4.7-153.1-150.0 156.0 32.4 25.6 20.3 49 84 A E E - D 0 64B 21 15,-2.0 14,-2.4 -2,-0.3 15,-1.8 -0.899 8.3-175.7-129.9 159.0 31.9 22.0 20.9 50 85 A W - 0 0 79 -2,-0.3 12,-0.1 12,-0.2 11,-0.1 -0.989 33.2 -96.9-151.8 152.4 33.7 19.3 22.9 51 86 A P - 0 0 6 0, 0.0 9,-0.5 0, 0.0 113,-0.2 -0.350 31.3-118.9 -70.6 152.3 33.3 15.5 23.3 52 87 A P S S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 112,-0.1 0.155 81.3 113.9 -75.9 20.1 31.3 14.0 26.2 53 88 A L - 0 0 103 2,-0.0 7,-1.9 0, 0.0 2,-0.3 -0.753 60.0-141.5 -97.0 138.6 34.5 12.3 27.3 54 89 A Y E -G 59 0C 169 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.780 12.9-164.2 -99.7 144.5 36.3 13.3 30.5 55 90 A N E > -G 58 0C 101 3,-3.3 3,-1.7 -2,-0.3 -2,-0.0 -0.991 65.9 -21.2-132.6 126.3 40.1 13.4 30.8 56 91 A R T 3 S- 0 0 217 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.857 131.0 -40.0 44.1 48.7 42.1 13.5 34.0 57 92 A G T 3 S+ 0 0 83 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.411 124.8 65.9 89.3 -3.5 39.2 14.7 36.1 58 93 A K E < S-G 55 0C 76 -3,-1.7 -3,-3.3 1,-0.1 -1,-0.1 -0.968 91.0 -66.8-148.4 164.8 37.6 17.3 33.8 59 94 A L E -G 54 0C 60 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.071 62.8 -97.8 -46.5 146.0 35.7 17.7 30.5 60 95 A G - 0 0 9 -7,-1.9 3,-0.1 -9,-0.5 -1,-0.1 -0.290 53.9 -83.5 -64.8 157.3 37.8 16.9 27.5 61 96 A K - 0 0 121 1,-0.2 -1,-0.1 -3,-0.1 51,-0.1 -0.152 54.8 -80.6 -62.4 155.2 39.3 19.9 25.7 62 97 A V - 0 0 2 49,-0.2 -12,-0.2 1,-0.2 -1,-0.2 -0.342 47.1-176.9 -53.8 132.1 37.4 22.1 23.2 63 98 A A + 0 0 1 -14,-2.4 17,-2.0 1,-0.3 2,-0.3 0.643 60.7 29.9-109.2 -22.9 37.6 20.1 19.9 64 99 A L E -D 49 0B 0 -15,-1.8 -15,-2.0 14,-0.2 2,-0.4 -0.999 55.0-165.9-144.0 141.5 35.8 22.5 17.6 65 100 A I E -DE 48 77B 0 12,-1.8 12,-3.1 -2,-0.3 2,-0.4 -0.996 13.0-161.3-128.1 129.1 35.4 26.3 17.2 66 101 A Q E -DE 47 76B 0 -19,-2.8 -19,-1.4 -2,-0.4 2,-0.4 -0.938 8.3-176.8-116.7 134.8 32.8 27.7 14.9 67 102 A L E -DE 46 75B 2 8,-2.2 8,-3.1 -2,-0.4 2,-0.6 -0.985 9.0-163.2-130.7 120.9 32.7 31.2 13.5 68 103 A C E +DE 45 74B 0 -23,-2.3 -23,-3.2 -2,-0.4 6,-0.2 -0.924 12.5 173.3-104.5 119.0 29.9 32.6 11.3 69 104 A V E + 0 0 16 4,-1.6 2,-0.3 -2,-0.6 5,-0.1 0.569 65.1 1.7-101.0 -13.8 30.9 35.7 9.6 70 105 A S E > S- E 0 73B 31 3,-1.1 3,-0.7 -25,-0.0 -1,-0.2 -0.943 82.8 -90.8-159.9 175.2 28.0 36.3 7.3 71 106 A E T 3 S+ 0 0 116 -2,-0.3 -55,-0.2 1,-0.2 3,-0.1 0.598 125.3 40.1 -73.3 -8.3 24.6 34.7 6.4 72 107 A S T 3 S+ 0 0 72 1,-0.2 -55,-3.0 -56,-0.1 2,-0.4 0.371 110.1 56.1-121.0 4.5 26.3 32.6 3.7 73 108 A K E < +bE 17 70B 67 -3,-0.7 -4,-1.6 -57,-0.2 -3,-1.1 -0.943 48.3 172.4-147.6 125.9 29.6 31.5 5.3 74 109 A C E -bE 18 68B 0 -57,-2.4 -55,-2.5 -2,-0.4 2,-0.5 -0.964 19.9-143.4-128.1 143.9 30.7 29.7 8.4 75 110 A Y E -bE 19 67B 13 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.6 -0.911 5.4-161.5-110.3 132.2 34.1 28.4 9.5 76 111 A L E -bE 20 66B 0 -57,-3.2 -55,-2.7 -2,-0.5 2,-0.9 -0.927 5.9-167.4-114.7 106.3 34.6 25.1 11.4 77 112 A F E -bE 21 65B 0 -12,-3.1 2,-2.3 -2,-0.6 -12,-1.8 -0.810 6.1-160.4 -98.0 98.1 38.0 25.0 13.1 78 113 A H > + 0 0 0 -57,-2.8 3,-2.0 -2,-0.9 4,-0.3 -0.451 19.3 170.4 -78.7 69.9 38.7 21.4 14.2 79 114 A V G > + 0 0 9 -2,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.715 66.6 70.1 -57.4 -23.9 41.3 22.3 16.7 80 115 A S G 3 S+ 0 0 51 -17,-2.0 -1,-0.3 1,-0.3 -16,-0.1 0.761 100.2 49.4 -67.3 -20.7 41.4 18.8 18.2 81 116 A S G < S+ 0 0 45 -3,-2.0 -1,-0.3 -18,-0.3 2,-0.2 0.481 94.8 93.8 -93.8 -3.4 43.1 17.6 14.9 82 117 A M S < S- 0 0 18 -3,-1.2 -59,-0.1 -4,-0.3 3,-0.1 -0.628 73.9-136.2 -91.2 148.5 45.7 20.4 15.0 83 118 A S S S+ 0 0 124 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.727 89.7 9.3 -74.4 -21.9 49.2 19.9 16.5 84 119 A V S S- 0 0 93 -5,-0.0 -1,-0.1 0, 0.0 -60,-0.0 -0.954 94.9 -85.9-149.8 162.1 49.0 23.3 18.2 85 120 A F - 0 0 31 -2,-0.3 5,-0.1 1,-0.1 -5,-0.0 -0.659 57.6-107.5 -76.3 121.1 46.4 25.9 18.8 86 121 A P > - 0 0 1 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.231 20.3-147.0 -53.1 123.8 46.4 28.2 15.6 87 122 A Q H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.846 96.5 54.9 -60.9 -39.1 48.0 31.6 16.3 88 123 A G H > S+ 0 0 10 -64,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 109.5 47.8 -64.5 -36.1 45.7 33.4 13.8 89 124 A L H > S+ 0 0 0 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 109.1 53.4 -69.2 -45.3 42.6 32.1 15.5 90 125 A K H X S+ 0 0 63 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.935 109.7 49.0 -54.1 -47.6 44.0 33.0 19.0 91 126 A M H X S+ 0 0 89 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.889 110.7 49.4 -60.6 -43.3 44.5 36.6 17.7 92 127 A L H >< S+ 0 0 4 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.934 113.9 46.2 -62.6 -44.9 41.0 36.8 16.3 93 128 A L H 3< S+ 0 0 1 -4,-2.8 28,-2.9 1,-0.2 -2,-0.2 0.823 116.8 43.7 -68.0 -31.3 39.5 35.5 19.5 94 129 A E H 3< S+ 0 0 38 -4,-2.3 2,-0.6 26,-0.2 -1,-0.2 0.502 88.6 112.1 -92.1 -5.2 41.6 37.8 21.6 95 130 A N X< - 0 0 63 -4,-0.9 3,-1.5 -3,-0.5 26,-0.1 -0.583 53.3-160.1 -74.1 115.0 41.0 40.8 19.3 96 131 A K T 3 S+ 0 0 159 -2,-0.6 -1,-0.2 1,-0.3 -55,-0.1 0.667 87.7 68.8 -67.6 -16.7 38.8 43.5 21.0 97 132 A A T 3 S+ 0 0 24 -57,-0.1 -56,-2.4 1,-0.1 2,-0.5 0.573 93.6 64.5 -79.1 -10.0 38.0 44.9 17.6 98 133 A V S < S- 0 0 9 -3,-1.5 2,-0.4 -6,-0.2 -55,-0.2 -0.967 76.1-146.5-119.6 122.8 35.9 41.8 16.7 99 134 A K E -c 43 0B 50 -57,-2.3 -55,-1.8 -2,-0.5 2,-0.5 -0.698 6.6-154.4 -90.0 135.8 32.8 41.0 18.7 100 135 A K E -cf 44 123B 2 22,-2.0 24,-3.1 -2,-0.4 2,-0.4 -0.953 11.3-160.4-111.6 123.8 31.8 37.4 19.2 101 136 A A E +cf 45 124B 0 -57,-2.7 -55,-2.5 -2,-0.5 2,-0.3 -0.866 29.1 114.3-110.2 137.1 28.1 36.6 19.8 102 137 A G E - f 0 125B 2 22,-1.8 24,-2.5 -2,-0.4 2,-0.5 -0.977 57.6 -92.4-175.5 179.3 26.6 33.5 21.4 103 138 A V S S+ 0 0 35 -2,-0.3 39,-0.1 -57,-0.3 22,-0.1 -0.963 108.4 12.9-115.3 126.3 24.6 32.1 24.3 104 139 A G S > S+ 0 0 38 -2,-0.5 4,-1.2 37,-0.1 -1,-0.2 0.715 84.9 142.4 81.7 22.8 26.5 30.7 27.2 105 140 A I H > + 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.1 0.726 60.3 60.4 -71.1 -24.7 29.6 32.4 25.8 106 141 A E H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.939 105.2 51.0 -67.6 -41.7 31.0 33.4 29.2 107 142 A G H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.865 108.8 50.4 -59.8 -37.5 31.2 29.8 30.0 108 143 A D H X S+ 0 0 11 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.905 105.4 58.7 -65.9 -41.6 33.0 29.1 26.8 109 144 A Q H X S+ 0 0 33 -4,-2.3 4,-2.0 1,-0.2 11,-0.3 0.933 108.3 44.0 -52.0 -50.8 35.4 31.9 27.7 110 145 A W H X S+ 0 0 137 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.878 114.1 48.6 -66.9 -37.0 36.4 30.1 30.9 111 146 A K H X S+ 0 0 28 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.882 110.6 51.7 -70.4 -35.3 36.7 26.7 29.3 112 147 A L H X>S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 6,-0.9 0.910 110.6 48.9 -65.4 -42.1 38.8 28.2 26.5 113 148 A L H X5S+ 0 0 51 -4,-2.0 4,-1.8 4,-0.3 -2,-0.2 0.934 114.9 43.7 -62.6 -48.5 41.1 29.8 29.0 114 149 A R H <5S+ 0 0 172 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.918 120.4 41.8 -64.7 -42.9 41.5 26.6 31.0 115 150 A D H <5S+ 0 0 21 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.878 138.8 3.6 -75.4 -39.7 42.0 24.5 27.9 116 151 A F H <5S- 0 0 40 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.338 90.2-116.5-130.2 6.5 44.3 26.6 25.7 117 152 A D << + 0 0 108 -4,-1.8 2,-0.4 -5,-0.5 -4,-0.3 0.893 65.5 148.4 56.7 39.2 45.1 29.7 27.9 118 153 A I - 0 0 5 -6,-0.9 2,-0.8 -9,-0.1 -1,-0.2 -0.876 41.7-145.3-104.7 137.9 43.3 31.8 25.3 119 154 A K - 0 0 111 -2,-0.4 -9,-0.1 -3,-0.1 -10,-0.1 -0.789 11.8-144.6-111.3 91.9 41.5 34.9 26.5 120 155 A L - 0 0 4 -2,-0.8 2,-0.3 -11,-0.3 -26,-0.2 -0.279 21.2-161.3 -53.5 124.8 38.3 35.6 24.5 121 156 A K + 0 0 56 -28,-2.9 -21,-0.2 1,-0.2 -26,-0.1 -0.880 58.4 10.2-116.2 147.5 37.9 39.3 24.2 122 157 A N S S+ 0 0 55 -2,-0.3 -22,-2.0 1,-0.2 2,-0.3 0.935 78.7 161.1 55.3 54.5 34.8 41.4 23.3 123 158 A F E -f 100 0B 63 -3,-0.2 2,-0.4 -24,-0.2 -22,-0.2 -0.749 25.2-150.9-101.0 152.7 32.2 38.6 23.6 124 159 A V E -f 101 0B 23 -24,-3.1 -22,-1.8 -2,-0.3 2,-0.7 -0.985 10.4-138.9-131.5 126.7 28.5 39.3 24.0 125 160 A E E >> -f 102 0B 37 -2,-0.4 4,-1.5 -24,-0.2 3,-1.4 -0.729 12.0-151.0 -81.4 113.6 26.0 37.1 25.7 126 161 A L H 3> S+ 0 0 0 -24,-2.5 4,-3.1 -2,-0.7 5,-0.3 0.754 92.3 70.5 -56.6 -26.0 22.9 37.2 23.5 127 162 A T H 3> S+ 0 0 23 -25,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.900 104.3 40.4 -57.9 -41.5 20.7 36.7 26.6 128 163 A D H <> S+ 0 0 106 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.847 114.6 50.8 -76.8 -36.4 21.6 40.2 27.7 129 164 A V H X S+ 0 0 30 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.902 113.0 47.6 -67.7 -39.0 21.3 41.8 24.3 130 165 A A H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.960 110.9 49.2 -65.7 -52.2 17.9 40.2 23.9 131 166 A N H <>S+ 0 0 31 -4,-2.1 5,-1.9 -5,-0.3 4,-0.5 0.890 115.8 46.6 -54.5 -40.1 16.7 41.3 27.3 132 167 A K H ><5S+ 0 0 161 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.983 120.3 33.6 -66.2 -60.1 17.9 44.8 26.5 133 168 A K H 3<5S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.785 123.3 45.8 -69.1 -30.9 16.5 45.2 22.9 134 169 A L T 3<5S- 0 0 39 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.429 105.3-128.4 -92.1 -1.3 13.3 43.2 23.5 135 170 A K T < 5 + 0 0 187 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.960 67.6 108.3 51.1 62.7 12.6 44.9 26.9 136 171 A C < - 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0 0 81 1,-0.2 3,-2.8 2,-0.1 4,-2.0 -0.593 39.8-157.1 -73.8 103.7 19.4 14.6 17.8 158 193 A K H 3> S+ 0 0 151 -2,-1.1 4,-2.5 1,-0.3 -1,-0.2 0.806 89.4 64.8 -50.0 -36.1 21.3 14.0 21.0 159 194 A S H 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.619 111.7 38.2 -66.2 -9.8 23.5 11.5 19.3 160 195 A I H X4 S+ 0 0 19 -3,-2.8 3,-1.7 3,-0.1 -2,-0.2 0.813 116.8 45.5-103.3 -52.0 24.8 14.4 17.2 161 196 A R H 3< S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.803 124.5 36.9 -63.4 -28.9 24.9 17.2 19.7 162 197 A C T 3< S+ 0 0 60 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.041 95.0 124.8-112.2 29.7 26.6 15.0 22.2 163 198 A S S < S- 0 0 21 -3,-1.7 2,-1.6 1,-0.1 -3,-0.1 -0.144 80.3 -77.3 -78.9 179.5 28.7 13.1 19.6 164 199 A N > - 0 0 63 1,-0.2 3,-1.8 -113,-0.2 -1,-0.1 -0.620 48.9-180.0 -82.6 87.8 32.5 12.6 19.7 165 200 A W T 3 S+ 0 0 0 -2,-1.6 -85,-0.2 1,-0.3 -1,-0.2 0.595 76.0 61.5 -65.7 -11.4 33.5 16.1 18.4 166 201 A S T 3 S+ 0 0 47 -3,-0.1 2,-0.6 -86,-0.1 -1,-0.3 0.465 79.4 105.9 -93.3 -1.8 37.2 15.2 18.6 167 202 A K S < S- 0 0 120 -3,-1.8 -86,-0.1 2,-0.1 -87,-0.0 -0.684 76.1-109.8 -83.0 120.8 36.8 12.4 16.1 168 203 A F S S+ 0 0 82 -2,-0.6 2,-0.1 1,-0.1 -2,-0.1 -0.816 91.5 34.6 -97.5 136.4 38.3 13.3 12.7 169 204 A P S S- 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.563 83.7-130.8 -92.6 161.4 36.7 13.8 10.3 170 205 A L - 0 0 6 -2,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.371 27.0-122.0 -62.9 143.8 33.5 15.5 11.3 171 206 A T > - 0 0 69 1,-0.1 4,-2.2 -3,-0.0 5,-0.2 -0.343 25.8-105.8 -79.7 171.1 30.4 13.8 9.7 172 207 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.865 122.8 53.0 -67.8 -33.3 28.1 15.9 7.5 173 208 A D H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 108.1 50.3 -66.9 -41.5 25.5 15.9 10.3 174 209 A Q H > S+ 0 0 12 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.939 110.3 49.7 -61.5 -46.3 28.1 17.2 12.8 175 210 A K H X S+ 0 0 38 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.917 112.1 48.4 -58.2 -45.1 29.2 20.0 10.4 176 211 A L H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -162,-0.4 0.952 114.6 44.6 -60.5 -51.3 25.5 21.0 9.9 177 212 A Y H X S+ 0 0 17 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.937 117.9 44.0 -57.9 -51.2 24.8 21.0 13.6 178 213 A A H X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 3,-0.2 0.903 114.2 47.7 -63.7 -45.2 28.0 22.9 14.5 179 214 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.889 108.9 55.9 -65.4 -37.8 27.8 25.5 11.7 180 215 A T H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.832 100.5 57.6 -65.7 -30.7 24.2 26.2 12.5 181 216 A D H X S+ 0 0 8 -4,-1.3 4,-1.5 -3,-0.2 -1,-0.2 0.903 112.2 41.7 -65.8 -38.8 24.9 27.1 16.2 182 217 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -114,-0.2 0.900 112.8 53.3 -72.4 -42.5 27.3 29.8 15.0 183 218 A Y H X S+ 0 0 49 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.896 105.8 55.3 -58.4 -42.0 25.0 30.9 12.3 184 219 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.934 106.4 50.1 -57.9 -48.7 22.2 31.3 14.9 185 220 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.892 112.1 48.0 -58.6 -42.0 24.3 33.6 17.0 186 221 A F H X S+ 0 0 34 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.943 114.7 43.8 -64.2 -50.1 25.1 35.8 14.0 187 222 A I H X S+ 0 0 7 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.905 113.2 51.5 -62.8 -44.7 21.6 36.1 12.8 188 223 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.935 112.4 45.6 -59.2 -47.9 20.1 36.7 16.3 189 224 A Y H X S+ 0 0 37 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.935 113.4 50.1 -62.1 -45.9 22.6 39.5 17.0 190 225 A R H X S+ 0 0 96 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.936 113.0 45.6 -57.6 -49.7 22.0 41.0 13.6 191 226 A N H X S+ 0 0 48 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.888 114.8 47.2 -63.6 -40.1 18.2 41.0 14.0 192 227 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.2 0.899 107.2 57.8 -68.4 -39.8 18.4 42.4 17.5 193 228 A E H 3< S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 100.6 55.4 -59.6 -39.2 20.8 45.1 16.6 194 229 A I H 3< S+ 0 0 122 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.747 84.0 106.5 -68.3 -23.2 18.6 46.7 14.0 195 230 A L << 0 0 74 -3,-0.8 -61,-0.0 -4,-0.7 -3,-0.0 -0.338 360.0 360.0 -60.4 133.1 15.7 47.1 16.5 196 231 A D 0 0 207 -2,-0.1 -1,-0.2 -63,-0.0 -2,-0.1 0.214 360.0 360.0-160.2 360.0 15.1 50.7 17.6