==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 19-MAR-91 2RVE . COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*AP*GP*CP*TP*CP*G)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.K.WINKLER,D.W.BANNER,C.OEFNER,D.TSERNOGLOU,R.S.BROWN, . 425 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 15.3 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 . 4 0.9 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 . 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 . 23 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 3 0 3 1 1 3 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 5 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 2 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 2 A S > 0 0 104 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-175.7 15.9 38.6 37.5 2 3 A L H > + 0 0 15 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.781 360.0 50.0 -87.9 -30.3 13.8 37.1 34.7 3 4 A R H > S+ 0 0 69 2,-0.2 4,-3.1 1,-0.2 3,-0.2 0.961 110.4 48.4 -65.1 -53.8 15.9 34.1 35.0 4 5 A S H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.888 110.0 50.7 -52.7 -49.7 15.4 34.0 38.7 5 6 A D H X S+ 0 0 53 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.828 113.6 46.8 -59.7 -36.7 11.7 34.3 38.5 6 7 A L H X S+ 0 0 1 -4,-1.5 4,-2.5 -3,-0.2 -2,-0.2 0.942 111.9 48.9 -71.2 -51.9 11.6 31.5 35.9 7 8 A I H X S+ 0 0 44 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.955 109.1 52.5 -51.6 -55.4 13.8 29.2 37.9 8 9 A N H < S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.862 110.2 49.6 -50.3 -41.6 11.8 29.7 41.0 9 10 A A H < S+ 0 0 37 -4,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.908 108.5 51.4 -66.6 -44.6 8.6 28.9 39.2 10 11 A L H < 0 0 5 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.915 360.0 360.0 -60.8 -41.3 10.0 25.7 37.7 11 12 A Y < 0 0 146 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.999 360.0 360.0 -67.4 360.0 11.2 24.6 41.1 12 ! 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 13 18 A Y 0 0 62 0, 0.0 2,-0.6 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 56.0 4.8 17.7 36.7 14 19 A D - 0 0 62 134,-0.0 223,-3.4 139,-0.0 224,-0.3 -0.860 360.0-170.3-107.0 104.9 2.4 14.7 37.0 15 20 A V E -A 236 0A 0 -2,-0.6 221,-0.2 221,-0.3 3,-0.1 -0.602 7.2-168.3 -87.1 148.3 0.2 13.8 34.0 16 21 A C E - 0 0 4 219,-2.9 12,-0.9 1,-0.4 2,-0.3 0.845 51.5 -76.1-101.2 -47.7 -2.5 11.2 34.6 17 22 A G E -AB 235 27A 0 218,-1.0 218,-2.5 10,-0.3 2,-0.5 -0.960 58.2 -45.2 178.8-163.7 -3.5 10.5 31.1 18 23 A I E -AB 234 26A 12 8,-3.2 8,-3.5 -2,-0.3 2,-0.3 -0.820 53.9-145.0 -94.7 125.0 -5.4 11.5 27.9 19 24 A I E - B 0 25A 0 214,-2.2 213,-1.2 -2,-0.5 214,-0.5 -0.693 3.2-146.3 -98.7 149.2 -8.9 12.8 28.6 20 25 A S > - 0 0 1 4,-3.3 3,-3.6 -2,-0.3 4,-0.1 -0.901 28.0-115.3-111.9 139.4 -12.0 12.4 26.5 21 26 A A T 3 S+ 0 0 28 -2,-0.4 339,-0.2 1,-0.3 338,-0.1 0.739 115.3 65.7 -39.3 -35.0 -14.7 15.1 26.2 22 27 A E T 3 S- 0 0 162 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.435 124.0-105.2 -71.2 0.3 -17.1 12.6 27.9 23 28 A G S < S+ 0 0 25 -3,-3.6 117,-0.2 1,-0.3 -2,-0.2 0.217 77.0 143.2 92.5 -14.6 -14.9 13.0 31.0 24 29 A K - 0 0 93 -4,-0.1 -4,-3.3 -5,-0.1 2,-0.4 -0.382 38.6-150.5 -60.8 131.5 -13.4 9.6 30.3 25 30 A I E -BC 19 138A 0 113,-2.4 113,-0.9 -6,-0.2 -6,-0.2 -0.901 6.9-160.2-110.2 134.8 -9.7 9.4 31.2 26 31 A Y E -B 18 0A 34 -8,-3.5 -8,-3.2 -2,-0.4 231,-0.1 -0.925 19.3-128.8-117.6 114.9 -7.2 7.2 29.5 27 32 A P E -B 17 0A 44 0, 0.0 -10,-0.3 0, 0.0 121,-0.1 -0.235 26.4-140.0 -54.7 142.7 -3.9 6.4 31.2 28 33 A L - 0 0 30 -12,-0.9 2,-0.3 1,-0.1 -11,-0.0 -0.010 19.3-126.1 -90.2-159.6 -0.9 7.1 29.0 29 34 A G - 0 0 32 2,-0.1 6,-0.1 120,-0.0 -1,-0.1 -0.790 26.7 -81.2-141.5-171.2 2.2 5.0 28.7 30 35 A S + 0 0 78 -2,-0.3 2,-0.6 4,-0.1 105,-0.0 0.040 65.8 139.7 -80.0 18.3 5.8 4.5 28.8 31 36 A D > - 0 0 50 1,-0.2 4,-1.4 2,-0.0 3,-0.1 -0.604 46.7-149.3 -71.6 114.3 6.4 5.8 25.2 32 37 A T T 4 S+ 0 0 35 -2,-0.6 4,-0.4 1,-0.2 -1,-0.2 0.498 91.6 53.4 -64.3 -2.3 9.5 7.8 25.6 33 38 A K T > S+ 0 0 137 2,-0.1 4,-0.8 3,-0.1 3,-0.2 0.856 100.4 51.7-101.8 -42.2 8.3 10.1 22.8 34 39 A V H >> S+ 0 0 10 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.876 108.4 58.6 -58.2 -36.4 4.8 11.2 23.9 35 40 A L H 3X S+ 0 0 3 -4,-1.4 4,-2.0 1,-0.3 5,-0.2 0.843 97.0 56.1 -61.4 -43.9 6.4 12.2 27.2 36 41 A S H 34 S+ 0 0 46 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.781 106.5 53.7 -64.0 -21.3 8.9 14.6 25.8 37 42 A T H XX S+ 0 0 20 -4,-0.8 4,-0.7 -3,-0.6 3,-0.6 0.820 105.6 53.6 -78.3 -33.3 5.9 16.3 24.2 38 43 A I H >X S+ 0 0 1 -4,-1.1 4,-2.5 1,-0.2 3,-1.4 0.919 98.9 58.9 -66.6 -47.0 4.2 16.6 27.5 39 44 A F H 3< S+ 0 0 1 -4,-2.0 4,-0.3 1,-0.3 -1,-0.2 0.599 107.5 53.1 -59.3 -9.4 7.1 18.3 29.3 40 45 A E H <> S+ 0 0 60 -3,-0.6 4,-1.7 -5,-0.2 -1,-0.3 0.723 105.2 49.3 -97.7 -25.2 6.6 20.9 26.7 41 46 A L H << S+ 0 0 14 -3,-1.4 -2,-0.2 -4,-0.7 -3,-0.1 0.916 110.8 52.3 -73.8 -45.4 2.9 21.4 27.2 42 47 A F T X S+ 0 0 6 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.761 112.1 48.4 -59.0 -30.2 3.5 21.8 30.9 43 48 A S H > S+ 0 0 0 -5,-0.3 4,-1.8 -4,-0.3 5,-0.4 0.947 91.1 71.7 -79.9 -52.1 6.1 24.4 30.2 44 49 A R H X S+ 0 0 70 -4,-1.7 4,-1.7 1,-0.2 -2,-0.1 0.762 101.0 47.9 -33.8 -47.5 4.5 26.8 27.7 45 50 A P H > S+ 0 0 48 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.969 112.0 47.2 -64.1 -54.7 2.2 28.3 30.3 46 51 A I H X S+ 0 0 22 -4,-0.7 4,-2.6 -3,-0.3 5,-0.3 0.944 115.6 44.7 -49.0 -62.0 5.0 28.9 33.0 47 52 A I H X S+ 0 0 1 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.881 115.0 50.9 -51.8 -41.6 7.4 30.5 30.6 48 53 A N H X S+ 0 0 61 -4,-1.7 4,-2.2 -5,-0.4 -1,-0.2 0.957 111.4 45.5 -62.2 -51.7 4.6 32.5 29.2 49 54 A K H X S+ 0 0 121 -4,-3.3 4,-1.0 1,-0.2 -2,-0.2 0.861 113.9 46.6 -61.5 -42.8 3.4 33.8 32.6 50 55 A I H < S+ 0 0 15 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.727 112.9 51.3 -75.3 -21.4 6.8 34.7 34.0 51 56 A A H >< S+ 0 0 1 -4,-1.4 3,-2.0 -5,-0.3 5,-0.4 0.967 105.6 52.2 -76.8 -55.6 7.8 36.5 30.8 52 57 A E H >< S+ 0 0 157 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.773 102.5 61.8 -49.8 -31.9 4.7 38.6 30.5 53 58 A K T 3< S+ 0 0 106 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.127 107.2 45.6 -84.9 23.6 5.3 39.7 34.1 54 59 A H T < S- 0 0 42 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.064 122.2-101.5-148.4 17.7 8.6 41.2 32.9 55 60 A G S < S+ 0 0 45 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.955 73.9 140.6 52.4 63.5 7.4 42.9 29.8 56 61 A Y - 0 0 44 -5,-0.4 18,-0.3 18,-0.1 2,-0.3 -0.991 47.0-137.8-136.9 127.0 8.5 40.3 27.2 57 62 A I E -F 73 0B 80 16,-2.6 16,-1.5 -2,-0.4 2,-0.6 -0.602 22.1-139.8 -80.9 141.9 6.8 39.1 24.2 58 63 A V E -F 72 0B 34 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.927 17.1-166.2-113.5 122.1 7.0 35.3 23.7 59 64 A E E -F 71 0B 50 12,-2.6 12,-2.5 -2,-0.6 58,-0.1 -0.782 5.7-167.7-106.6 146.1 7.5 33.8 20.2 60 65 A E - 0 0 76 -2,-0.3 2,-0.2 10,-0.2 10,-0.1 -0.932 35.5 -95.5-126.8 149.3 7.1 30.2 19.0 61 66 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 4,-0.1 -0.426 19.2-143.9 -68.8 133.8 8.3 28.8 15.6 62 67 A K S S+ 0 0 205 -2,-0.2 2,-0.4 1,-0.1 55,-0.0 0.664 88.3 45.0 -69.6 -10.6 5.7 28.7 12.9 63 68 A Q S S- 0 0 105 3,-0.0 3,-0.3 0, 0.0 -1,-0.1 -0.995 89.0-112.0-138.8 137.5 7.3 25.4 11.8 64 69 A Q S S+ 0 0 109 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.179 97.4 41.6 -56.7 153.0 8.5 22.3 13.6 65 70 A N S S+ 0 0 147 1,-0.3 2,-0.4 -4,-0.1 -1,-0.2 0.840 86.9 117.7 76.2 33.8 12.2 21.7 13.6 66 71 A H - 0 0 49 -3,-0.3 -1,-0.3 -5,-0.1 50,-0.2 -0.989 64.3 -79.5-134.1 141.5 13.3 25.2 14.2 67 72 A Y B S+j 116 0C 16 48,-2.2 50,-3.2 -2,-0.4 51,-0.3 -0.718 88.5 20.0 -94.0 140.2 15.2 26.7 17.1 68 73 A P - 0 0 0 0, 0.0 17,-0.2 0, 0.0 3,-0.2 0.659 54.3-140.2-117.4-176.3 14.3 27.5 19.6 69 74 A D S S+ 0 0 30 1,-0.2 2,-0.3 -9,-0.1 16,-0.2 0.884 96.1 16.2 -52.4 -43.5 11.2 26.4 21.4 70 75 A F E - G 0 84B 0 14,-3.1 14,-3.8 -10,-0.1 2,-0.5 -0.989 64.6-157.1-141.0 129.4 10.6 29.9 22.8 71 76 A T E -FG 59 83B 1 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.4 -0.873 18.8-164.1-100.5 129.2 12.0 33.3 21.8 72 77 A L E +FG 58 82B 1 10,-2.6 10,-2.7 -2,-0.5 2,-0.3 -0.943 19.0 136.4-122.4 139.4 11.9 36.0 24.4 73 78 A Y E -F 57 0B 24 -16,-1.5 -16,-2.6 -2,-0.4 8,-0.1 -0.996 51.3-106.9-167.8 167.9 12.3 39.7 24.2 74 79 A K E > - G 0 77B 70 3,-0.7 3,-3.1 -2,-0.3 -18,-0.1 -0.930 33.6-137.7-102.9 105.5 11.3 43.3 25.1 75 80 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.744 103.3 63.7 -31.3 -38.6 9.6 44.7 22.1 76 81 A S T 3 S+ 0 0 111 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.887 109.5 37.8 -56.7 -45.6 11.5 47.9 22.8 77 82 A E E < +G 74 0B 100 -3,-3.1 -3,-0.7 1,-0.1 3,-0.3 -0.956 59.3 172.5-118.3 117.6 14.8 46.1 22.2 78 83 A P E S+ 0 0 64 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.663 70.6 66.7 -97.7 -20.7 15.3 43.5 19.4 79 84 A N E S+ 0 0 103 1,-0.2 -6,-0.0 44,-0.1 44,-0.0 0.205 93.7 68.3 -89.1 26.9 19.0 42.7 19.3 80 85 A K E + 0 0 118 -3,-0.3 -6,-0.3 -6,-0.1 -1,-0.2 -0.488 68.5 162.7-138.8 64.2 18.7 41.1 22.8 81 86 A K E - h 0 123B 3 41,-2.3 43,-1.8 -3,-0.3 44,-1.6 -0.555 30.2-144.8 -90.3 154.1 16.7 38.0 22.5 82 87 A I E -Gh 72 125B 11 -10,-2.7 -10,-2.6 -2,-0.2 2,-0.6 -0.968 13.7-158.4-119.7 111.5 16.4 35.0 25.0 83 88 A A E -Gh 71 126B 0 42,-2.3 44,-1.8 -2,-0.5 2,-0.4 -0.836 6.1-166.8 -95.8 119.8 16.0 31.7 23.4 84 89 A I E -Gh 70 127B 0 -14,-3.8 -14,-3.1 -2,-0.6 2,-0.4 -0.916 4.1-174.1-110.0 132.2 14.5 28.9 25.6 85 90 A D E - h 0 128B 6 42,-1.5 44,-1.5 -2,-0.4 2,-0.5 -0.989 18.7-137.3-125.5 123.3 14.7 25.3 24.5 86 91 A I E - h 0 129B 13 -2,-0.4 2,-0.4 42,-0.2 44,-0.2 -0.686 24.2-175.0 -86.4 125.0 12.9 22.4 26.3 87 92 A K E - h 0 130B 44 42,-2.7 44,-1.3 -2,-0.5 2,-0.3 -0.927 2.2-166.7-119.8 144.2 15.0 19.2 26.7 88 93 A T E + h 0 131B 32 -2,-0.4 2,-0.3 42,-0.2 44,-0.2 -0.955 11.2 162.5-132.7 148.4 14.0 15.9 28.2 89 94 A T E - h 0 132B 21 42,-2.2 44,-1.4 -2,-0.3 2,-0.3 -0.992 17.0-144.7-158.4 162.3 15.6 12.7 29.4 90 95 A Y E - h 0 133B 95 -2,-0.3 2,-0.3 42,-0.2 44,-0.3 -0.903 4.4-143.9-134.8 162.1 15.1 9.6 31.5 91 96 A T E - h 0 134B 5 42,-2.8 44,-3.0 -2,-0.3 7,-0.1 -0.917 9.3-154.5-124.2 149.0 16.8 7.3 33.8 92 97 A N S S+ 0 0 113 -2,-0.3 2,-0.1 42,-0.2 -1,-0.1 0.821 90.8 19.4 -86.4 -37.1 16.5 3.5 34.2 93 98 A K S S- 0 0 159 41,-0.0 2,-0.4 1,-0.0 3,-0.3 -0.291 101.3 -83.8-112.8-162.9 17.7 3.6 37.8 94 99 A E S S+ 0 0 154 1,-0.2 -2,-0.0 -2,-0.1 58,-0.0 -0.900 98.4 5.8-115.4 143.7 17.8 6.6 40.2 95 100 A N S S+ 0 0 96 -2,-0.4 -1,-0.2 1,-0.1 2,-0.1 0.916 86.3 148.2 56.9 46.7 20.6 9.3 40.4 96 101 A E - 0 0 79 -3,-0.3 85,-0.5 1,-0.1 2,-0.5 -0.355 58.1 -81.8 -95.4-177.7 22.6 8.0 37.4 97 102 A K - 0 0 114 83,-0.1 83,-0.3 -2,-0.1 2,-0.1 -0.764 51.1-157.0 -92.1 132.3 24.6 10.2 35.2 98 103 A I - 0 0 7 81,-4.8 2,-0.3 -2,-0.5 81,-0.2 -0.412 12.9-172.5-100.6 179.5 22.5 11.9 32.5 99 104 A K - 0 0 123 79,-0.2 2,-0.2 -2,-0.1 79,-0.1 -0.859 4.7-161.9-171.9 134.7 23.2 13.4 29.1 100 105 A F - 0 0 15 77,-0.5 76,-1.9 -2,-0.3 2,-0.5 -0.496 22.6-118.8-113.8-174.1 21.2 15.4 26.6 101 106 A T E -K 175 0D 65 74,-0.2 74,-0.2 -2,-0.2 -13,-0.1 -0.996 26.7-172.5-123.5 121.4 21.3 16.3 23.0 102 107 A L E - 0 0 4 72,-2.9 2,-0.2 -2,-0.5 73,-0.1 0.048 42.6 -73.2-115.4 37.0 21.6 20.1 22.4 103 108 A G E - 0 0 24 71,-0.3 71,-3.0 2,-0.0 2,-0.4 -0.603 61.6 -48.3 116.2-179.0 21.2 21.0 18.8 104 109 A G E -K 173 0D 22 69,-0.3 5,-0.3 -2,-0.2 69,-0.3 -0.826 30.8-152.1-101.7 138.7 22.9 20.9 15.5 105 110 A Y S S+ 0 0 28 67,-2.1 99,-0.2 -2,-0.4 68,-0.1 0.121 92.7 51.0 -94.8 19.3 26.5 22.0 15.1 106 111 A T S S+ 0 0 56 66,-0.3 5,-0.3 4,-0.1 -1,-0.2 0.460 93.9 73.2-129.9 -11.4 26.0 23.0 11.5 107 112 A S S >> S- 0 0 17 -3,-0.2 4,-2.8 3,-0.1 3,-2.0 0.619 115.6 -22.3 -73.9-126.4 22.9 25.2 11.4 108 113 A F H 3> S+ 0 0 15 6,-1.2 4,-2.9 1,-0.3 7,-0.1 0.822 127.8 73.0 -54.2 -38.3 22.8 28.8 12.6 109 114 A I H 34 S+ 0 0 6 -5,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.789 117.0 21.0 -48.8 -28.6 25.8 28.1 14.9 110 115 A R H <4 S+ 0 0 96 -3,-2.0 -2,-0.2 4,-0.1 -1,-0.2 0.819 139.6 26.2-107.6 -52.5 27.7 28.2 11.6 111 116 A N H < S- 0 0 66 -4,-2.8 2,-0.9 -5,-0.3 -3,-0.2 0.371 88.3-134.8 -97.7 3.9 25.6 30.1 9.0 112 117 A N S < S+ 0 0 42 -4,-2.9 8,-1.5 -5,-0.3 9,-0.2 0.113 92.9 45.8 69.4 -28.7 23.6 32.3 11.3 113 118 A T S > S+ 0 0 97 -2,-0.9 3,-1.3 -6,-0.2 -5,-0.2 0.713 73.2 111.4-118.5 -28.2 20.3 31.7 9.6 114 119 A K T 3 S- 0 0 121 1,-0.3 -6,-1.2 -7,-0.2 -5,-0.2 -0.276 100.7 -17.7 -55.8 121.6 19.8 28.1 8.8 115 120 A N T 3 S+ 0 0 64 -8,-0.2 -48,-2.2 1,-0.2 2,-0.3 0.420 102.8 120.2 65.2 1.3 17.1 26.6 10.9 116 121 A I B < -j 67 0C 13 -3,-1.3 -1,-0.2 -50,-0.2 -50,-0.0 -0.741 61.3-137.9 -97.4 146.9 16.9 29.4 13.5 117 122 A V S S+ 0 0 49 -50,-3.2 -1,-0.1 -2,-0.3 -2,-0.1 0.918 93.3 17.7 -62.5 -45.1 13.6 31.5 14.1 118 123 A Y S S- 0 0 53 -51,-0.3 -1,-0.2 -3,-0.1 2,-0.1 -0.948 110.6 -77.0-126.5 146.0 15.5 34.8 14.4 119 124 A P > - 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0 0 41 -2,-1.3 -26,-0.1 2,-0.2 -27,-0.1 -0.183 53.4-125.3-105.5-165.2 -3.8 -2.3 -4.7 406 205 B I S S+ 0 0 48 -26,-0.6 -25,-0.1 -28,-0.4 -27,-0.1 0.732 80.4 84.5-107.4 -51.8 -0.8 -3.0 -6.8 407 206 B F - 0 0 10 -27,-0.5 -2,-0.2 -30,-0.4 3,-0.1 -0.188 60.3-154.5 -59.1 151.6 0.3 -6.4 -5.7 408 207 B D S S- 0 0 120 1,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.556 75.4 -2.3-103.1 -11.9 -1.4 -9.4 -7.2 409 208 B S S >> S- 0 0 45 -32,-0.1 4,-2.1 1,-0.1 3,-0.7 -0.968 72.7-104.8-169.9 157.6 -0.8 -11.7 -4.4 410 209 B E H 3> S+ 0 0 71 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.881 118.6 59.1 -59.6 -36.5 0.8 -11.8 -1.1 411 210 B D H 3> S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.838 105.4 50.0 -60.4 -32.1 3.7 -13.8 -2.5 412 211 B E H <> S+ 0 0 26 -3,-0.7 4,-2.9 2,-0.2 5,-0.2 0.962 109.7 49.0 -70.9 -50.6 4.4 -11.0 -4.8 413 212 B F H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.924 114.3 46.0 -51.8 -50.8 4.4 -8.4 -2.2 414 213 B L H X S+ 0 0 20 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.854 114.1 47.9 -60.8 -41.8 6.7 -10.4 -0.0 415 214 B D H X S+ 0 0 54 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.891 109.7 53.2 -69.0 -38.9 9.0 -11.2 -2.9 416 215 B Y H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 3,-0.2 0.952 117.2 35.7 -59.7 -52.8 9.2 -7.7 -4.0 417 216 B W H < S+ 0 0 0 -4,-2.1 3,-0.2 -5,-0.2 -2,-0.2 0.797 110.0 60.8 -75.6 -30.2 10.2 -6.3 -0.7 418 217 B R H < S+ 0 0 103 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.828 115.1 36.4 -65.9 -30.2 12.4 -9.2 0.4 419 218 B N H < S+ 0 0 66 -4,-1.3 2,-0.2 -3,-0.2 -1,-0.2 0.462 86.8 119.5 -99.7 -8.4 14.6 -8.5 -2.6 420 219 B Y < 0 0 33 -4,-0.7 4,-0.1 -3,-0.2 -3,-0.0 -0.446 360.0 360.0 -65.7 125.2 14.5 -4.6 -2.8 421 220 B E 0 0 209 2,-0.3 -2,-0.1 -2,-0.2 -1,-0.1 -0.663 360.0 360.0 -88.9 360.0 17.9 -2.9 -2.4 422 ! 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 0.0 423 230 B Y 0 0 65 0, 0.0 -2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.8 14.2 -2.5 -10.1 424 231 B N + 0 0 103 1,-0.2 2,-0.3 -4,-0.1 3,-0.1 -0.069 360.0 44.3-149.3 33.0 12.4 0.3 -8.4 425 232 B N S > S- 0 0 34 1,-0.1 4,-2.4 -42,-0.0 5,-0.2 -0.952 85.7-104.7-171.8 155.7 8.9 -0.3 -9.3 426 233 B I H > S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.907 119.3 56.5 -51.5 -44.8 6.3 -3.0 -9.6 427 234 B S H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.931 110.7 40.2 -48.9 -64.6 6.8 -2.8 -13.4 428 235 B E H > S+ 0 0 85 1,-0.2 4,-3.8 2,-0.2 -1,-0.2 0.798 113.6 54.0 -59.8 -34.1 10.5 -3.4 -13.4 429 236 B Y H X S+ 0 0 16 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.929 107.4 52.8 -66.5 -41.3 10.3 -6.1 -10.6 430 237 B R H < S+ 0 0 81 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.853 117.4 36.0 -61.5 -37.9 7.8 -7.9 -12.8 431 238 B N H >< S+ 0 0 121 -4,-1.7 3,-3.2 -5,-0.2 -2,-0.2 0.925 109.5 62.5 -82.6 -40.9 10.1 -7.9 -15.7 432 239 B W H 3< S+ 0 0 134 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.789 83.5 80.7 -47.7 -34.4 13.3 -8.3 -13.6 433 240 B I T 3< 0 0 76 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.718 360.0 360.0 -48.4 -21.8 11.8 -11.6 -12.6 434 241 B Y < 0 0 228 -3,-3.2 -3,-0.1 -4,-0.1 -2,-0.1 -0.026 360.0 360.0-163.8 360.0 13.1 -12.8 -16.0