==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RNA AND DNA BINDING PROTEIN/RNA 15-MAY-07 2PY9 . COMPND 2 MOLECULE: 12-MER C-RICH STRAND OF HUMAN TELOMERIC RNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.L.JAMES,Z.DU,J.K.LEE . 279 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 81.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 22.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 26 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 3 0 4 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 4 0 0 1 2 1 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 . 0 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 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 10 A K 0 0 170 0, 0.0 141,-0.1 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 32.1 -17.3 -21.3 29.6 2 11 A N - 0 0 100 1,-0.1 3,-0.0 138,-0.1 0, 0.0 0.176 360.0-154.0 -20.2 134.2 -17.7 -20.0 25.9 3 12 A V S S+ 0 0 107 52,-0.1 53,-0.9 2,-0.0 2,-0.4 0.308 77.1 71.9-101.0 -2.4 -16.8 -22.3 23.1 4 13 A T E +A 55 0A 88 51,-0.2 2,-0.3 52,-0.1 49,-0.0 -0.981 63.3 176.9-111.4 138.7 -16.0 -19.6 20.6 5 14 A L E -A 54 0A 12 49,-2.3 49,-1.9 -2,-0.4 2,-0.4 -0.841 20.6-148.2-131.4 167.5 -12.8 -17.6 21.1 6 15 A T E -A 53 0A 70 -2,-0.3 2,-0.4 47,-0.2 47,-0.2 -0.992 16.3-179.8-139.1 122.9 -11.0 -14.9 19.3 7 16 A I E -A 52 0A 5 45,-2.9 45,-1.6 -2,-0.4 2,-0.5 -0.984 15.3-147.7-124.7 141.1 -7.3 -14.7 19.4 8 17 A R E -AB 51 80A 31 72,-0.7 72,-4.8 -2,-0.4 2,-0.4 -0.955 6.6-159.0-108.3 123.0 -5.3 -12.0 17.6 9 18 A L E -AB 50 79A 3 41,-2.4 41,-2.5 -2,-0.5 2,-0.6 -0.817 13.8-139.7 -93.2 136.7 -1.7 -12.7 16.1 10 19 A L E -AB 49 78A 18 68,-3.6 68,-0.6 -2,-0.4 2,-0.3 -0.882 32.6-177.1-101.1 124.2 0.5 -9.8 15.5 11 20 A X E -A 48 0A 8 37,-3.6 37,-3.0 -2,-0.6 2,-0.1 -0.932 29.4-123.7-133.4 141.7 2.4 -10.2 12.2 12 21 A H E > -A 47 0A 91 -2,-0.3 4,-2.1 35,-0.2 35,-0.2 -0.395 37.1-114.3 -71.8 156.7 5.1 -8.7 9.9 13 22 A G H > S+ 0 0 25 33,-1.9 4,-1.9 1,-0.2 -1,-0.1 0.780 113.1 52.9 -70.9 -33.8 4.0 -8.0 6.3 14 23 A K H > S+ 0 0 170 32,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 110.5 50.7 -62.6 -40.8 6.3 -10.5 4.5 15 24 A E H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.950 108.7 49.8 -60.1 -47.3 4.9 -13.1 6.8 16 25 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.4 0.911 100.7 69.2 -61.2 -38.0 1.4 -12.1 6.0 17 26 A G H X S+ 0 0 43 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.912 104.4 37.8 -38.9 -58.8 2.4 -12.3 2.3 18 27 A S H < S+ 0 0 45 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.698 109.1 61.9 -77.4 -23.2 2.7 -16.1 2.4 19 28 A I H < S+ 0 0 0 -4,-1.5 8,-0.4 -3,-0.4 -1,-0.2 0.952 109.9 41.2 -63.1 -47.7 -0.2 -16.7 4.7 20 29 A I H < S- 0 0 51 -4,-2.1 7,-1.5 6,-0.2 6,-1.1 0.914 100.2-163.0 -58.9 -52.5 -2.6 -15.2 2.1 21 30 A G >< - 0 0 21 -4,-1.9 3,-3.3 -5,-0.2 -2,-0.1 0.086 40.1 -32.3 81.7 167.0 -0.8 -16.8 -1.0 22 31 A K G > S- 0 0 137 1,-0.3 3,-1.6 2,-0.2 4,-0.1 -0.362 139.3 -4.9 -59.4 127.6 -1.0 -16.0 -4.7 23 32 A K G 3 S- 0 0 201 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.704 124.9 -73.9 55.5 21.4 -4.5 -14.7 -5.3 24 33 A G G <> S+ 0 0 19 -3,-3.3 4,-1.4 1,-0.1 -1,-0.3 0.739 92.0 140.5 71.8 20.2 -5.3 -15.5 -1.6 25 34 A E H <> + 0 0 119 -3,-1.6 4,-1.9 2,-0.2 -4,-0.2 0.788 65.5 53.3 -71.7 -26.4 -5.4 -19.3 -2.3 26 35 A S H > S+ 0 0 9 -6,-1.1 4,-3.1 2,-0.2 5,-0.2 0.979 111.5 40.9 -62.9 -66.1 -3.7 -20.2 1.0 27 36 A V H > S+ 0 0 5 -7,-1.5 4,-1.8 -8,-0.4 -2,-0.2 0.778 113.6 57.9 -59.2 -22.7 -5.8 -18.3 3.4 28 37 A K H >X S+ 0 0 113 -4,-1.4 4,-2.4 -8,-0.4 3,-0.6 0.988 109.7 41.8 -67.6 -59.6 -8.8 -19.5 1.3 29 38 A K H 3X S+ 0 0 113 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.834 113.2 55.7 -49.9 -35.8 -7.8 -23.2 1.8 30 39 A X H 3X S+ 0 0 9 -4,-3.1 4,-1.5 2,-0.2 6,-0.4 0.873 107.7 48.8 -65.9 -35.6 -7.1 -22.2 5.5 31 40 A R H > S-A 4 0A 72 0, 0.0 4,-2.5 0, 0.0 3,-0.8 -0.310 73.8-105.9 -50.6 135.5 -14.7 -23.1 18.1 56 65 A T H 3> S+ 0 0 33 -53,-0.9 4,-2.4 1,-0.2 5,-0.1 0.799 121.0 49.6 -28.4 -46.4 -11.5 -23.9 20.0 57 66 A N H 3> S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 106.8 51.6 -77.3 -34.6 -10.6 -26.5 17.5 58 67 A A H <> S+ 0 0 9 -3,-0.8 4,-2.4 2,-0.2 -22,-0.3 0.934 110.4 52.4 -62.6 -42.6 -11.1 -24.5 14.4 59 68 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.978 109.0 49.4 -54.2 -59.6 -8.8 -21.9 16.1 60 69 A F H X S+ 0 0 63 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.795 110.5 48.8 -49.8 -41.6 -6.2 -24.5 16.7 61 70 A K H X S+ 0 0 91 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.952 110.6 50.1 -63.1 -49.5 -6.2 -25.8 13.1 62 71 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.917 112.5 48.6 -61.4 -37.6 -5.9 -22.4 11.6 63 72 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.4 0.941 109.8 50.9 -61.9 -49.6 -3.0 -21.8 13.9 64 73 A A H X S+ 0 0 28 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.962 112.6 47.2 -51.2 -52.4 -1.3 -25.1 13.0 65 74 A X H < S+ 0 0 47 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.764 110.3 51.6 -61.3 -31.2 -1.6 -24.2 9.3 66 75 A I H >X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.3 3,-1.4 0.955 114.2 44.2 -71.9 -49.0 -0.3 -20.6 9.9 67 76 A I H 3X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.869 108.3 58.8 -57.9 -38.9 2.8 -22.1 11.7 68 77 A D H 3< S+ 0 0 96 -4,-2.9 4,-0.4 -5,-0.4 -1,-0.3 0.739 109.5 44.2 -67.3 -13.3 3.0 -24.7 9.1 69 78 A K H <4 S+ 0 0 43 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.827 107.3 54.6 -99.9 -45.0 3.4 -21.9 6.5 70 79 A L H < S+ 0 0 41 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.814 115.6 42.1 -59.0 -30.3 5.9 -19.6 8.3 71 80 A E < 0 0 101 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.796 360.0 360.0 -87.1 -19.3 8.1 -22.7 8.6 72 81 A E 0 0 168 -4,-0.4 -3,-0.1 -5,-0.2 -4,-0.0 -0.026 360.0 360.0 -42.3 360.0 7.4 -23.8 4.9 73 !* 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 74 13 B T 0 0 152 0, 0.0 2,-0.3 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 137.3 13.1 -21.8 16.2 75 14 B L E - D 0 124A 28 49,-2.3 49,-1.4 2,-0.0 2,-0.5 -0.854 360.0-155.6-122.9 153.4 9.9 -19.7 15.8 76 15 B T E + D 0 123A 80 -2,-0.3 2,-0.5 47,-0.2 47,-0.2 -0.943 14.6 175.6-129.7 113.6 8.5 -16.5 17.2 77 16 B I E - D 0 122A 9 45,-2.7 45,-2.7 -2,-0.5 2,-0.4 -0.958 14.8-153.7-116.7 142.3 4.8 -15.8 17.3 78 17 B R E -BD 10 121A 44 -68,-0.6 -68,-3.6 -2,-0.5 2,-0.4 -0.954 5.4-158.3-107.5 131.3 3.3 -12.7 19.0 79 18 B L E -BD 9 120A 2 41,-3.0 41,-2.4 -2,-0.4 2,-0.6 -0.869 11.9-140.4-105.3 136.9 -0.3 -12.7 20.3 80 19 B L E -BD 8 119A 19 -72,-4.8 -72,-0.7 -2,-0.4 2,-0.4 -0.857 31.2-176.1-103.4 120.6 -2.1 -9.5 20.8 81 20 B X E - D 0 118A 4 37,-2.6 37,-2.9 -2,-0.6 5,-0.1 -0.941 31.3-123.0-138.5 129.1 -4.2 -9.6 24.0 82 21 B H E >> - D 0 117A 98 -2,-0.4 4,-1.5 35,-0.2 3,-0.7 -0.208 37.0-118.9 -52.7 141.5 -6.7 -7.6 26.1 83 22 B G H 3> S+ 0 0 25 33,-3.5 4,-1.5 1,-0.3 -1,-0.1 0.675 111.6 57.1 -66.1 -25.3 -5.4 -7.0 29.7 84 23 B K H 3> S+ 0 0 198 32,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.840 108.1 50.4 -72.4 -33.6 -8.2 -8.8 31.5 85 24 B E H <> S+ 0 0 47 -3,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.893 104.8 56.6 -64.9 -40.4 -7.2 -11.9 29.4 86 25 B V H >X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 3,-0.8 0.923 97.3 67.0 -61.1 -39.7 -3.5 -11.4 30.4 87 26 B G H >X S+ 0 0 42 -4,-1.5 4,-2.3 1,-0.3 3,-0.6 0.937 103.7 40.1 -39.8 -64.7 -4.7 -11.6 34.0 88 27 B S H 3< S+ 0 0 48 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.703 108.6 64.4 -63.1 -18.5 -5.8 -15.3 33.9 89 28 B I H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.860 111.2 34.6 -72.5 -36.9 -2.7 -16.1 31.8 90 29 B I H << S- 0 0 51 -4,-1.8 7,-1.4 -3,-0.6 6,-1.4 0.906 99.9-163.9 -77.5 -51.0 -0.3 -15.2 34.6 91 30 B G >< - 0 0 23 -4,-2.3 3,-3.4 -5,-0.3 2,-0.2 -0.080 42.9 -25.3 88.6 164.4 -2.4 -16.4 37.5 92 31 B K G > S- 0 0 195 1,-0.3 3,-0.9 2,-0.2 4,-0.1 -0.357 140.6 -9.4 -50.4 108.9 -2.3 -15.7 41.2 93 32 B K G 3 S- 0 0 193 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.707 123.4 -70.7 69.7 22.3 1.5 -14.9 41.7 94 33 B G G <> S+ 0 0 19 -3,-3.4 4,-1.2 1,-0.1 -1,-0.2 0.796 94.4 140.3 65.4 26.4 2.2 -16.0 38.1 95 34 B E H <> + 0 0 107 -3,-0.9 4,-1.7 2,-0.2 -4,-0.2 0.875 69.7 47.5 -63.4 -44.1 1.6 -19.6 39.0 96 35 B S H > S+ 0 0 14 -6,-1.4 4,-2.0 2,-0.2 -5,-0.2 0.964 112.7 45.1 -67.7 -54.2 -0.1 -20.4 35.8 97 36 B V H > S+ 0 0 5 -7,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.720 110.4 57.5 -62.8 -21.1 2.4 -18.8 33.4 98 37 B K H X S+ 0 0 105 -4,-1.2 4,-2.5 -8,-0.4 -1,-0.2 0.920 106.0 50.4 -69.3 -41.9 5.2 -20.5 35.5 99 38 B K H X S+ 0 0 115 -4,-1.7 4,-3.4 1,-0.2 5,-0.3 0.934 110.5 49.2 -56.7 -47.6 3.4 -23.8 34.7 100 39 B X H X>S+ 0 0 6 -4,-2.0 4,-2.9 2,-0.2 5,-0.6 0.911 110.2 49.3 -62.8 -41.1 3.4 -22.9 31.0 101 40 B R H X5S+ 0 0 110 -4,-2.0 4,-1.6 1,-0.2 5,-0.2 0.959 116.7 43.0 -65.2 -45.4 7.1 -21.9 30.9 102 41 B E H <5S+ 0 0 139 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.868 120.7 39.5 -66.0 -44.2 8.0 -25.2 32.6 103 42 B E H <5S+ 0 0 96 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.798 119.6 39.4 -83.5 -30.4 5.7 -27.4 30.6 104 43 B S H <5S- 0 0 4 -4,-2.9 27,-0.2 -5,-0.3 -3,-0.2 0.841 87.2-143.3 -84.5 -27.2 5.9 -26.1 27.1 105 44 B G << + 0 0 44 -4,-1.6 2,-0.3 -5,-0.6 23,-0.1 0.694 59.5 129.1 65.0 13.6 9.6 -25.4 27.2 106 45 B A - 0 0 5 -6,-0.5 2,-0.7 22,-0.3 -1,-0.3 -0.710 67.8-111.4 -86.4 157.0 8.8 -22.3 25.1 107 46 B R E -E 123 0A 150 16,-3.0 16,-1.6 -2,-0.3 2,-0.5 -0.815 36.6-170.2 -84.3 128.3 9.9 -18.9 26.0 108 47 B I E +E 122 0A 8 -2,-0.7 2,-0.4 14,-0.2 14,-0.2 -0.947 8.6 177.9-120.7 125.7 7.1 -16.9 27.0 109 48 B N E -E 121 0A 95 12,-2.3 12,-2.9 -2,-0.5 2,-0.5 -0.995 12.0-159.5-128.0 136.1 7.3 -13.2 27.5 110 49 B I E -E 120 0A 17 -2,-0.4 10,-0.2 10,-0.2 -2,-0.0 -0.935 29.6-114.0-113.3 120.3 4.4 -10.9 28.5 111 50 B S - 0 0 33 8,-2.4 2,-0.2 -2,-0.5 4,-0.1 -0.224 38.0-100.3 -58.1 150.7 4.8 -7.2 27.8 112 51 B E + 0 0 154 2,-0.1 2,-0.2 6,-0.0 -1,-0.1 -0.382 68.5 46.2 -70.5 134.3 5.0 -4.9 30.6 113 52 B G S S- 0 0 33 -2,-0.2 5,-0.0 1,-0.1 0, 0.0 -0.699 82.9 -87.9 137.7-171.8 2.5 -2.5 32.1 114 53 B N S S+ 0 0 162 -2,-0.2 -1,-0.1 3,-0.0 -2,-0.1 -0.325 77.2 151.3-115.5 41.9 -1.1 -2.4 33.4 115 54 B C - 0 0 54 1,-0.1 3,-0.1 -4,-0.1 -2,-0.0 -0.551 51.9-136.7 -79.6 128.3 -1.6 -1.5 29.8 116 55 B P S S+ 0 0 110 0, 0.0 -33,-3.5 0, 0.0 2,-0.6 0.839 93.4 51.0 -61.8 -27.8 -5.0 -2.6 28.6 117 56 B E E S-D 82 0A 87 -35,-0.2 2,-0.3 -34,-0.1 -35,-0.2 -0.864 78.5-179.4-113.3 101.5 -3.6 -4.0 25.2 118 57 B R E -D 81 0A 27 -37,-2.9 -37,-2.6 -2,-0.6 2,-0.4 -0.806 22.7-136.1-123.6 144.2 -0.7 -6.4 25.7 119 58 B I E -D 80 0A 55 -2,-0.3 -8,-2.4 -39,-0.2 2,-0.6 -0.754 11.6-161.2-103.3 129.0 1.7 -8.6 23.6 120 59 B I E -DE 79 110A 0 -41,-2.4 -41,-3.0 -2,-0.4 2,-0.5 -0.934 7.8-157.2-112.3 119.2 2.6 -12.2 24.4 121 60 B T E -DE 78 109A 38 -12,-2.9 -12,-2.3 -2,-0.6 2,-0.4 -0.851 7.5-171.9 -97.8 123.7 5.7 -13.6 22.7 122 61 B L E +DE 77 108A 0 -45,-2.7 -45,-2.7 -2,-0.5 2,-0.3 -0.963 13.1 173.7-112.3 129.5 6.1 -17.4 22.3 123 62 B A E +DE 76 107A 17 -16,-1.6 -16,-3.0 -2,-0.4 -47,-0.2 -0.983 27.4 73.8-140.7 143.1 9.5 -18.4 21.0 124 63 B G E S-D 75 0A 1 -49,-1.4 -49,-2.3 -2,-0.3 -18,-0.1 -0.873 80.6 -30.0 141.4 175.0 10.9 -21.9 20.7 125 64 B P S >> S- 0 0 72 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.295 73.0 -93.6 -64.3 156.8 10.7 -25.1 18.5 126 65 B T H 3> S+ 0 0 41 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.880 123.0 49.3 -37.1 -49.6 7.3 -25.9 16.8 127 66 B N H 3> S+ 0 0 92 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.899 107.0 51.7 -70.4 -31.3 6.1 -28.1 19.6 128 67 B A H <> S+ 0 0 2 -3,-0.9 4,-3.2 2,-0.2 -22,-0.3 0.897 109.3 52.4 -63.5 -44.7 6.8 -25.8 22.4 129 68 B I H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.972 111.5 46.9 -58.0 -53.0 5.0 -23.2 20.6 130 69 B F H X S+ 0 0 56 -4,-3.1 4,-2.9 -5,-0.2 5,-0.2 0.888 111.0 49.8 -54.6 -43.9 2.0 -25.5 20.2 131 70 B K H X S+ 0 0 88 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.972 114.1 45.6 -61.6 -48.2 2.0 -26.6 23.8 132 71 B A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.915 114.0 49.1 -61.4 -39.9 2.1 -22.9 25.0 133 72 B F H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 -1,-0.2 0.938 111.0 49.0 -63.7 -54.4 -0.5 -21.9 22.5 134 73 B A H X S+ 0 0 31 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.863 113.1 49.3 -40.7 -45.3 -2.9 -24.9 23.6 135 74 B X H X S+ 0 0 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-3,-0.5 -2,-0.2 0.920 116.0 36.6 -62.3 -49.6 18.4 12.1 -15.0 230 29 D I H < S- 0 0 47 -4,-2.3 7,-1.8 6,-0.2 6,-0.7 0.940 101.5-165.7 -65.2 -39.5 17.3 15.0 -17.3 231 30 D G >< - 0 0 16 -4,-1.9 3,-2.2 -5,-0.3 4,-0.1 0.196 41.7 -31.8 64.6 164.4 18.9 17.6 -15.1 232 31 D K G > S- 0 0 161 1,-0.3 3,-2.4 2,-0.2 4,-0.2 -0.217 135.0 -7.7 -46.3 125.0 18.3 21.4 -15.3 233 32 D K G 3 S- 0 0 205 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.419 126.6 -65.9 65.6 -0.8 17.6 22.4 -18.9 234 33 D G G <> S+ 0 0 16 -3,-2.2 4,-1.9 3,-0.0 -1,-0.3 0.488 97.6 137.2 99.1 8.1 18.5 18.8 -20.0 235 34 D E H <> + 0 0 125 -3,-2.4 4,-1.4 1,-0.2 -4,-0.2 0.909 69.1 44.7 -50.6 -52.6 22.1 19.3 -19.0 236 35 D S H >> S+ 0 0 16 -6,-0.7 4,-1.5 1,-0.2 3,-0.6 0.967 114.9 42.4 -71.1 -51.9 22.4 15.9 -17.4 237 36 D V H 3> S+ 0 0 5 -7,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.769 106.7 66.1 -61.3 -25.5 20.7 13.6 -20.0 238 37 D K H 3X S+ 0 0 108 -4,-1.9 4,-2.3 -8,-0.5 -1,-0.2 0.921 97.5 52.4 -64.4 -42.9 22.5 15.6 -22.7 239 38 D K H > S- 0 0 67 0, 0.0 3,-2.5 0, 0.0 4,-1.7 -0.364 76.7 -98.2 -62.0 151.8 24.6 -1.4 -30.0 266 65 D T H 3> S+ 0 0 24 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.713 121.3 49.4 -34.1 -42.7 24.7 -3.4 -26.8 267 66 D N H 3> S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.656 106.3 56.7 -87.5 -11.5 27.6 -1.6 -25.2 268 67 D A H <> S+ 0 0 3 -3,-2.5 4,-2.2 2,-0.2 -22,-0.3 0.856 108.7 47.8 -81.6 -34.5 26.1 1.8 -25.9 269 68 D I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.882 111.9 49.7 -76.3 -36.8 23.0 0.6 -23.9 270 69 D F H X S+ 0 0 63 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.958 110.3 48.0 -60.6 -50.9 25.2 -0.6 -21.2 271 70 D K H X S+ 0 0 91 -4,-2.0 4,-1.4 -27,-0.2 -2,-0.2 0.853 113.4 51.4 -55.4 -35.4 27.2 2.7 -21.0 272 71 D A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.874 110.2 47.8 -70.8 -42.9 23.7 4.5 -21.0 273 72 D F H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.888 107.4 53.9 -63.5 -47.0 22.5 2.4 -18.2 274 73 D A H X S+ 0 0 28 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.866 109.7 50.5 -59.9 -34.6 25.6 2.9 -16.0 275 74 D X H X S+ 0 0 43 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.893 109.5 50.5 -72.3 -35.9 25.2 6.7 -16.4 276 75 D I H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.980 113.3 45.3 -62.4 -51.8 21.5 6.4 -15.4 277 76 D I H X S+ 0 0 1 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.888 109.5 55.8 -57.2 -45.2 22.5 4.3 -12.3 278 77 D D H >X S+ 0 0 88 -4,-2.9 4,-1.2 1,-0.2 3,-1.0 0.969 111.9 42.0 -45.5 -65.6 25.3 6.7 -11.5 279 78 D K H 3< S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.826 110.9 57.1 -51.6 -41.7 23.0 9.6 -11.4 280 79 D L H 3< S+ 0 0 30 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.801 104.0 52.6 -65.0 -29.6 20.3 7.7 -9.5 281 80 D E H << 0 0 100 -4,-1.7 -1,-0.2 -3,-1.0 -2,-0.2 0.754 360.0 360.0 -96.1 -17.3 22.6 6.8 -6.7 282 81 D E < 0 0 168 -4,-1.2 -3,-0.0 -5,-0.2 -4,-0.0 -0.037 360.0 360.0 -48.0 360.0 23.7 10.3 -5.9