==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-11 3T0O . COMPND 2 MOLECULE: RIBONUCLEASE T2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.THORN,R.KRAETZNER,R.STEINFELD,G.SHELDRICK . 196 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 2 0 0 2 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 0 1 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 . 1 0 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 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 34 A W 0 0 41 0, 0.0 3,-0.1 0, 0.0 169,-0.0 0.000 360.0 360.0 360.0 157.2 8.3 -1.4 24.7 2 35 A K + 0 0 174 1,-0.3 168,-0.5 168,-0.0 2,-0.3 0.713 360.0 17.5-119.7 -29.3 11.7 -2.5 23.5 3 36 A K E -A 169 0A 26 166,-0.1 34,-2.7 167,-0.1 -1,-0.3 -0.960 64.5-121.3-141.7 166.1 12.9 -0.5 20.6 4 37 A L E -AB 168 36A 0 164,-2.6 164,-2.8 -2,-0.3 2,-0.5 -0.756 16.5-148.7-102.8 154.1 12.2 2.7 18.8 5 38 A I E -AB 167 35A 24 30,-2.0 30,-3.1 -2,-0.3 2,-0.7 -0.987 3.9-152.8-124.2 117.2 11.2 3.1 15.1 6 39 A M E -AB 166 34A 0 160,-3.2 160,-2.2 -2,-0.5 2,-0.5 -0.840 21.4-164.4 -86.5 119.4 12.3 6.2 13.2 7 40 A V E +AB 165 33A 0 26,-3.1 25,-3.1 -2,-0.7 26,-1.6 -0.908 12.2 177.1-114.9 123.4 9.6 6.5 10.5 8 41 A Q E -AB 164 31A 0 156,-2.5 156,-2.8 -2,-0.5 2,-0.3 -0.944 9.0-163.1-126.1 147.5 10.1 8.7 7.5 9 42 A H E -AB 163 30A 0 21,-2.6 21,-2.5 -2,-0.4 154,-0.2 -0.894 23.4-118.4-136.1 161.5 7.7 9.2 4.6 10 43 A W >> - 0 0 2 152,-2.3 4,-2.2 -2,-0.3 3,-1.1 -0.880 22.2-151.0-103.0 108.9 7.6 10.4 1.0 11 44 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.878 91.3 57.7 -54.3 -41.3 5.2 13.3 0.8 12 45 A E H 34 S+ 0 0 53 14,-0.4 150,-0.1 1,-0.2 15,-0.1 0.875 114.3 40.8 -62.4 -30.3 4.2 12.8 -2.8 13 46 A T H <4 S+ 0 0 14 -3,-1.1 -1,-0.2 148,-0.1 149,-0.1 0.927 122.0 36.9 -76.6 -46.4 3.1 9.3 -1.9 14 47 A V H < S+ 0 0 12 -4,-2.2 -2,-0.2 148,-0.2 -1,-0.1 0.677 85.4 111.3 -84.7 -22.0 1.4 9.9 1.4 15 48 A a < - 0 0 29 -4,-2.8 53,-0.2 -5,-0.3 54,-0.1 -0.275 41.7-175.3 -52.2 141.5 -0.2 13.3 0.8 16 49 A E + 0 0 86 52,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.603 62.5 29.3-116.2 -21.4 -4.0 13.0 0.7 17 50 A K S S- 0 0 117 2,-0.2 2,-1.8 51,-0.2 -1,-0.3 -0.993 77.6-116.3-143.6 150.2 -5.2 16.4 -0.3 18 51 A I S S+ 0 0 126 -2,-0.3 2,-0.3 -3,-0.1 5,-0.2 -0.653 78.5 106.5 -91.0 82.8 -3.7 19.2 -2.3 19 52 A Q S > S- 0 0 44 -2,-1.8 3,-2.3 52,-0.0 4,-0.2 -0.981 75.0 -22.9-156.3 147.1 -3.6 21.6 0.7 20 53 A N G >> S+ 0 0 76 -2,-0.3 3,-2.1 1,-0.3 4,-0.5 -0.203 132.5 6.7 54.2-124.6 -1.0 23.1 3.0 21 54 A D G 34 S+ 0 0 29 45,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.712 137.3 50.7 -64.4 -21.3 2.1 21.1 3.2 22 55 A a G <4 S+ 0 0 3 -3,-2.3 -1,-0.3 44,-0.2 -2,-0.2 0.346 82.0 89.6 -96.1 4.1 0.8 18.8 0.4 23 56 A R T <4 S+ 0 0 143 -3,-2.1 -1,-0.2 1,-0.4 -2,-0.1 0.955 116.0 7.7 -65.7 -44.6 -0.1 21.6 -2.0 24 57 A D S < S- 0 0 125 -4,-0.5 -1,-0.4 -3,-0.2 3,-0.1 -0.868 99.9-137.3-126.1 94.2 3.4 21.3 -3.4 25 58 A P - 0 0 13 0, 0.0 -3,-0.2 0, 0.0 -13,-0.1 -0.219 26.9-100.8 -55.6 135.1 4.7 18.2 -1.6 26 59 A P - 0 0 24 0, 0.0 -14,-0.4 0, 0.0 4,-0.1 -0.318 25.5-130.8 -50.5 142.9 8.3 18.6 -0.3 27 60 A D S S+ 0 0 112 -16,-0.1 2,-0.3 -3,-0.1 -17,-0.0 -0.012 82.0 65.4 -92.5 40.2 10.7 16.8 -2.6 28 61 A Y S S- 0 0 69 -2,-0.1 2,-0.2 -19,-0.1 -19,-0.1 -0.973 92.6 -89.8-153.4 154.6 12.4 15.0 0.2 29 62 A W - 0 0 0 -2,-0.3 2,-0.2 -19,-0.1 -19,-0.2 -0.494 48.0-166.5 -64.1 135.8 11.7 12.4 2.8 30 63 A T E -B 9 0A 0 -21,-2.5 -21,-2.6 -2,-0.2 2,-0.4 -0.755 26.2 -81.9-124.1 171.2 10.3 13.9 6.0 31 64 A I E +B 8 0A 0 32,-3.2 -23,-0.3 -2,-0.2 3,-0.1 -0.582 32.3 173.7 -76.0 125.2 9.7 12.7 9.5 32 65 A H E - 0 0 24 -25,-3.1 2,-0.3 -2,-0.4 -24,-0.2 0.840 62.8 -71.4 -86.1 -54.8 6.6 10.8 10.3 33 66 A G E -B 7 0A 0 -26,-1.6 -26,-3.1 72,-0.1 2,-0.6 -0.991 29.5 -99.4 179.6 179.2 7.6 10.1 13.9 34 67 A L E -B 6 0A 0 -2,-0.3 -28,-0.2 -28,-0.2 55,-0.2 -0.966 49.3-170.6-116.5 103.4 9.8 8.3 16.4 35 68 A W E -B 5 0A 44 -30,-3.1 -30,-2.0 -2,-0.6 2,-0.1 -0.878 27.7-131.4-113.1 125.1 7.7 5.5 17.7 36 69 A P E -B 4 0A 3 0, 0.0 -32,-0.2 0, 0.0 3,-0.1 -0.486 33.3-129.9 -56.8 141.6 8.1 3.1 20.6 37 70 A D S S+ 0 0 29 -34,-2.7 -33,-0.1 1,-0.2 3,-0.0 0.891 89.6 20.0 -68.7 -41.2 7.4 -0.3 19.0 38 71 A K S S+ 0 0 153 -35,-0.2 2,-0.4 1,-0.0 -1,-0.2 0.333 111.4 62.2-120.9 5.1 4.9 -1.8 21.3 39 72 A S + 0 0 24 -3,-0.1 2,-0.3 46,-0.1 49,-0.1 -0.991 50.1 170.7-135.8 141.9 3.3 0.9 23.4 40 73 A E + 0 0 106 -2,-0.4 45,-0.2 1,-0.1 44,-0.2 -0.970 59.9 25.0-142.5 153.4 1.1 3.9 22.5 41 74 A G + 0 0 53 43,-2.2 3,-0.3 -2,-0.3 43,-0.2 0.922 65.8 164.5 68.2 46.4 -0.9 6.4 24.3 42 75 A b + 0 0 54 41,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.575 62.1 26.3 -81.9 -11.9 1.0 6.1 27.6 43 76 A N > + 0 0 67 40,-0.5 3,-1.8 1,-0.1 -1,-0.2 -0.611 49.2 178.4-157.3 92.1 -0.1 9.2 29.4 44 77 A R T 3 S+ 0 0 107 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.744 86.4 62.1 -68.1 -19.4 -3.4 10.9 28.8 45 78 A S T 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.234 89.4 73.6 -85.1 8.5 -2.5 13.5 31.5 46 79 A W S < S- 0 0 74 -3,-1.8 -1,-0.2 37,-0.1 -3,-0.1 -0.675 73.3-170.0-123.8 77.1 0.5 14.8 29.7 47 80 A P - 0 0 75 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.266 31.6 -93.0 -69.5 153.0 -0.8 16.8 26.8 48 81 A F - 0 0 25 31,-0.1 2,-0.4 1,-0.1 3,-0.1 -0.360 37.9-164.5 -55.1 139.2 1.2 18.2 24.0 49 82 A N >> - 0 0 65 1,-0.1 3,-1.6 -3,-0.1 4,-0.5 -0.900 9.9-164.6-136.3 101.1 2.3 21.8 24.7 50 83 A L G >4 S+ 0 0 62 -2,-0.4 3,-1.7 1,-0.3 4,-0.2 0.870 86.1 67.5 -54.4 -39.7 3.5 23.6 21.6 51 84 A E G >4 S+ 0 0 99 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.822 92.0 62.3 -50.2 -34.1 5.2 26.3 23.8 52 85 A E G <4 S+ 0 0 79 -3,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.733 110.5 37.0 -68.3 -23.5 7.7 23.7 25.0 53 86 A I G XX S+ 0 0 0 -3,-1.7 3,-2.2 -4,-0.5 4,-0.6 0.105 77.2 122.7-114.9 16.8 9.1 23.1 21.5 54 87 A K G X4 S+ 0 0 49 -3,-1.2 3,-1.3 1,-0.3 -1,-0.1 0.863 72.9 56.3 -45.7 -40.4 8.9 26.7 20.3 55 88 A D G 34 S+ 0 0 131 1,-0.3 -1,-0.3 -4,-0.2 4,-0.2 0.686 106.3 50.4 -68.7 -20.2 12.6 26.7 19.5 56 89 A L G X> S+ 0 0 19 -3,-2.2 4,-2.6 1,-0.1 3,-0.5 0.520 80.0 101.5 -96.3 -2.2 12.3 23.7 17.3 57 90 A L H S+ 0 0 78 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.940 115.0 42.0 -62.5 -41.8 11.4 26.1 12.1 59 92 A E H <> S+ 0 0 62 -3,-0.5 4,-3.2 -4,-0.2 5,-0.5 0.870 113.2 53.7 -66.1 -40.3 13.0 22.6 11.9 60 93 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.897 109.1 48.8 -62.3 -40.6 9.7 20.9 12.6 61 94 A R H < S+ 0 0 116 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.884 118.0 40.6 -63.3 -38.5 8.0 22.8 9.8 62 95 A A H < S+ 0 0 35 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.898 132.6 19.9 -76.4 -38.4 10.8 21.9 7.4 63 96 A Y H < S+ 0 0 79 -4,-3.2 -32,-3.2 1,-0.2 -3,-0.2 0.568 128.5 42.4-112.8 -13.4 11.4 18.3 8.3 64 97 A W S < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.5 -2,-0.1 -0.231 76.3 157.0-129.2 48.7 8.2 17.3 10.2 65 98 A P - 0 0 2 0, 0.0 2,-1.2 0, 0.0 -4,-0.1 -0.254 52.5-102.6 -75.6 160.9 5.4 18.8 8.1 66 99 A D + 0 0 2 5,-0.2 -45,-0.3 1,-0.2 -44,-0.2 -0.715 54.7 153.8 -84.5 96.8 1.9 17.4 8.1 67 100 A V + 0 0 0 -2,-1.2 -1,-0.2 -46,-0.1 -50,-0.1 0.161 62.5 57.6-113.4 23.4 1.8 15.5 4.9 68 101 A I S S+ 0 0 21 -53,-0.2 -52,-0.7 -52,-0.1 -51,-0.2 0.752 129.1 2.5-111.8 -68.5 -0.9 13.0 5.8 69 102 A H S S- 0 0 66 -54,-0.1 -2,-0.1 -53,-0.1 -3,-0.1 0.701 83.3-150.8 -89.4 -19.2 -4.0 15.1 6.7 70 103 A S - 0 0 0 1,-0.1 4,-0.1 4,-0.1 -48,-0.1 0.903 22.0-174.9 53.5 47.7 -2.3 18.4 6.0 71 104 A F - 0 0 57 2,-0.2 -50,-0.2 1,-0.1 -5,-0.2 -0.443 33.3-123.6 -70.8 151.1 -4.4 20.2 8.5 72 105 A P S S+ 0 0 104 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.879 106.3 67.4 -66.1 -34.3 -3.9 24.0 8.5 73 106 A N S > S- 0 0 91 1,-0.2 3,-1.8 2,-0.1 4,-0.5 -0.739 72.6-170.9 -86.6 97.6 -3.0 23.8 12.2 74 107 A R T >> S+ 0 0 75 -2,-1.2 4,-1.3 1,-0.3 3,-0.8 0.758 77.6 71.6 -64.3 -21.7 0.3 21.8 11.8 75 108 A S H 3> S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.735 80.3 73.7 -72.5 -16.0 0.5 21.3 15.5 76 109 A R H <> S+ 0 0 137 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.908 100.0 46.7 -59.6 -39.7 -2.5 18.8 15.4 77 110 A F H <> S+ 0 0 15 -3,-0.8 4,-2.4 -4,-0.5 -2,-0.2 0.946 112.7 46.6 -67.1 -45.0 -0.1 16.3 13.8 78 111 A W H X S+ 0 0 7 -4,-1.3 4,-2.9 1,-0.2 -2,-0.2 0.872 110.6 53.8 -68.0 -34.1 2.7 16.9 16.3 79 112 A K H X S+ 0 0 89 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.913 109.2 49.5 -60.7 -47.8 0.1 16.7 19.2 80 113 A H H X S+ 0 0 97 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.936 112.1 47.6 -56.4 -44.5 -0.9 13.3 17.8 81 114 A E H X>S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-1.9 0.893 114.0 47.1 -66.1 -44.4 2.7 12.2 17.6 82 115 A W H <>S+ 0 0 0 -4,-2.9 5,-2.3 3,-0.2 6,-0.2 0.951 116.4 42.4 -59.2 -49.0 3.4 13.4 21.1 83 116 A E H <5S+ 0 0 60 -4,-2.9 -40,-0.5 1,-0.2 -41,-0.4 0.929 122.7 38.2 -71.0 -39.0 0.3 11.8 22.7 84 117 A K H <5S+ 0 0 69 -4,-2.8 -43,-2.2 -5,-0.3 -42,-0.2 0.893 138.8 3.9 -78.0 -40.0 0.5 8.6 20.8 85 118 A H T X5S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.3 3,-0.4 0.776 119.7 59.6-119.4 -43.2 4.2 8.0 20.9 86 119 A G H >4 S+ 0 0 0 -3,-0.4 3,-1.7 -6,-0.2 -2,-0.2 0.899 111.3 55.4 -74.0 -40.7 5.7 6.3 25.8 89 122 A A H >< S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.3 6,-0.3 0.810 90.5 79.0 -64.4 -24.0 9.2 7.3 24.5 90 123 A A T 3< + 0 0 13 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.551 68.7 81.6 -67.5 -8.4 9.6 9.5 27.6 91 124 A Q T < S+ 0 0 106 -3,-1.7 2,-0.4 4,-0.1 -1,-0.3 0.703 81.2 79.8 -58.9 -22.5 10.5 6.5 29.7 92 125 A V S X S- 0 0 0 -3,-2.4 3,-1.8 -4,-0.1 4,-0.1 -0.791 84.7-137.7 -89.8 132.4 13.9 7.0 28.1 93 126 A D G > S+ 0 0 116 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.917 103.4 56.3 -61.5 -39.2 15.9 9.8 29.9 94 127 A A G 3 S+ 0 0 43 77,-0.3 -1,-0.3 1,-0.3 10,-0.2 0.671 118.3 34.3 -64.2 -14.3 17.1 11.2 26.5 95 128 A L G < S+ 0 0 0 -3,-1.8 6,-0.3 -6,-0.3 -1,-0.3 0.098 82.3 121.7-124.1 19.6 13.5 11.6 25.4 96 129 A N < + 0 0 65 -3,-1.8 2,-0.3 4,-0.1 -2,-0.1 0.153 68.8 41.3 -87.3 21.6 11.9 12.4 28.8 97 130 A S S > S- 0 0 33 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.962 87.8-107.8-151.1 162.8 10.4 15.8 27.9 98 131 A Q H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.4 0.930 120.5 48.2 -57.0 -46.9 8.6 17.2 24.9 99 132 A K H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 113.7 46.4 -62.6 -39.3 11.6 19.3 23.9 100 133 A K H > S+ 0 0 89 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.924 113.9 48.0 -71.7 -42.8 14.0 16.3 24.3 101 134 A Y H X S+ 0 0 0 -4,-2.7 4,-2.1 -6,-0.3 -2,-0.2 0.948 118.3 38.2 -61.2 -55.3 11.8 13.9 22.4 102 135 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.915 117.8 51.2 -66.4 -34.3 11.1 16.2 19.5 103 136 A G H X S+ 0 0 20 -4,-2.4 4,-2.1 -5,-0.4 -2,-0.2 0.890 111.3 47.1 -69.5 -38.6 14.6 17.6 19.5 104 137 A R H X S+ 0 0 36 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.875 109.0 55.5 -68.8 -36.3 16.2 14.1 19.5 105 138 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.942 109.2 46.2 -59.2 -45.5 13.8 13.1 16.7 106 139 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.891 111.6 52.2 -65.4 -38.5 15.0 15.9 14.6 107 140 A E H X S+ 0 0 68 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.935 109.3 49.2 -62.5 -44.6 18.7 15.1 15.4 108 141 A L H X S+ 0 0 4 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.893 108.0 54.0 -62.7 -39.3 18.2 11.5 14.4 109 142 A Y H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 5,-0.4 0.931 112.2 45.1 -60.5 -41.9 16.6 12.6 11.1 110 143 A R H < S+ 0 0 106 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.838 114.7 47.6 -65.1 -41.8 19.7 14.8 10.4 111 144 A E H < S+ 0 0 116 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 114.1 45.8 -73.3 -38.4 22.2 12.1 11.4 112 145 A L H < S- 0 0 16 -4,-3.0 -2,-0.2 -5,-0.2 5,-0.2 0.922 82.8-173.4 -70.7 -35.9 20.5 9.5 9.4 113 146 A D X + 0 0 64 -4,-2.1 4,-2.3 -5,-0.3 3,-0.2 0.905 8.0 175.8 40.3 57.8 20.1 11.7 6.3 114 147 A L H > S+ 0 0 1 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.855 73.6 59.6 -58.1 -35.7 18.0 9.3 4.4 115 148 A N H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 109.0 41.2 -60.3 -47.2 17.6 11.9 1.6 116 149 A S H > S+ 0 0 60 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.875 112.6 57.0 -69.8 -36.3 21.4 12.2 0.9 117 150 A V H X S+ 0 0 22 -4,-2.3 4,-1.5 1,-0.2 6,-0.2 0.943 109.3 43.8 -58.0 -48.8 21.8 8.5 1.3 118 151 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.3 0.924 114.3 49.0 -64.6 -47.3 19.3 7.7 -1.4 119 152 A L H ><5S+ 0 0 101 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.897 108.8 52.7 -62.0 -38.6 20.6 10.3 -3.8 120 153 A K H 3<5S+ 0 0 193 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 107.2 53.7 -64.4 -28.5 24.2 9.2 -3.4 121 154 A L T 3<5S- 0 0 66 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.452 121.3-111.3 -80.3 -5.8 23.1 5.7 -4.2 122 155 A G T < 5S+ 0 0 45 -3,-1.7 2,-1.1 -4,-0.3 -3,-0.2 0.597 74.2 138.1 83.5 10.9 21.5 7.1 -7.4 123 156 A I < + 0 0 9 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.795 24.9 154.3 -95.9 98.5 18.0 6.4 -6.1 124 157 A K - 0 0 122 -2,-1.1 70,-0.1 -3,-0.1 -5,-0.0 -0.878 54.0 -81.8-120.4 152.7 16.0 9.4 -7.1 125 158 A P + 0 0 37 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.310 65.1 166.6 -54.1 139.7 12.3 10.0 -7.8 126 159 A S - 0 0 28 68,-2.4 68,-0.4 2,-0.1 4,-0.1 -0.985 55.7-127.0-156.9 153.5 11.7 8.8 -11.3 127 160 A I S S+ 0 0 136 -2,-0.3 2,-0.4 68,-0.1 -1,-0.1 0.696 96.2 81.5 -67.3 -28.7 9.1 7.9 -13.9 128 161 A N S S- 0 0 124 66,-0.1 66,-0.3 1,-0.1 -2,-0.1 -0.683 89.8-117.1 -81.1 133.6 11.0 4.7 -14.3 129 162 A Y - 0 0 101 -2,-0.4 64,-0.2 64,-0.1 2,-0.2 -0.364 23.6-153.0 -66.2 152.6 10.2 2.0 -11.7 130 163 A Y E -G 192 0B 30 62,-2.7 62,-2.6 -4,-0.1 2,-0.4 -0.525 22.7-108.6-102.5 174.8 12.8 0.8 -9.2 131 164 A Q E >> -G 191 0B 89 60,-0.2 3,-1.2 -2,-0.2 4,-0.9 -0.857 21.8-124.7 -99.1 147.3 12.9 -2.6 -7.6 132 165 A V H >> S+ 0 0 1 58,-2.5 4,-2.5 -2,-0.4 3,-0.7 0.893 112.8 62.4 -54.2 -35.3 12.1 -2.8 -3.9 133 166 A A H 3>>S+ 0 0 42 1,-0.3 4,-2.6 2,-0.2 5,-0.6 0.769 91.9 65.7 -63.2 -23.7 15.5 -4.5 -3.5 134 167 A D H <>5S+ 0 0 68 -3,-1.2 4,-1.4 1,-0.2 -1,-0.3 0.950 110.8 34.8 -61.6 -44.4 17.1 -1.4 -4.8 135 168 A F H -A 3 0A 39 5,-2.7 4,-1.4 -2,-0.3 -166,-0.1 -0.302 31.8-124.5 -68.6 153.1 17.9 1.2 20.4 170 205 A K T 4 S+ 0 0 55 -168,-0.5 -1,-0.1 2,-0.2 -167,-0.1 0.950 101.0 36.0 -66.2 -47.9 15.9 2.3 23.3 171 206 A Q T 4 S+ 0 0 105 1,-0.2 -77,-0.3 -79,-0.1 -1,-0.2 0.958 136.4 12.0 -75.1 -47.1 18.5 4.0 25.4 172 207 A D T 4 S- 0 0 104 2,-0.1 -1,-0.2 -78,-0.0 -2,-0.2 0.283 92.9-123.9-116.0 1.7 20.9 5.7 22.9 173 208 A Q < + 0 0 6 -4,-1.4 2,-0.3 1,-0.2 -3,-0.1 0.877 50.3 163.1 51.7 47.9 18.8 5.4 19.6 174 209 A Q - 0 0 111 1,-0.1 -5,-2.7 0, 0.0 -1,-0.2 -0.672 49.0 -86.4 -87.0 150.7 21.5 3.6 17.8 175 210 A L E +F 168 0A 59 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.323 59.4 160.5 -57.9 135.8 20.6 1.7 14.5 176 211 A Q E -F 167 0A 54 -9,-2.5 -9,-0.6 -30,-0.1 2,-0.2 -0.942 43.4 -91.7-144.5 163.7 19.4 -1.8 15.1 177 212 A N - 0 0 72 -2,-0.3 -11,-0.1 1,-0.1 -32,-0.0 -0.512 27.2-134.3 -71.2 157.0 17.5 -4.4 13.3 178 213 A d 0 0 18 -32,-0.5 -1,-0.1 -2,-0.2 -10,-0.1 0.593 360.0 360.0 -83.5 -17.2 13.7 -4.5 13.9 179 214 A T 0 0 174 -33,-0.1 -33,-0.1 -12,-0.1 -2,-0.1 -0.955 360.0 360.0-132.1 360.0 13.6 -8.2 14.3 180 ! 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 0.0 181 235 A S > 0 0 95 0, 0.0 3,-2.5 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -20.1 -1.0 2.9 8.6 182 236 A R T 3 - 0 0 147 1,-0.3 3,-0.1 -30,-0.0 0, 0.0 0.837 360.0 -42.0 44.8 40.1 -3.5 4.6 6.3 183 237 A G T 3 S+ 0 0 31 1,-0.4 -1,-0.3 -31,-0.1 2,-0.2 0.217 102.3 134.0 101.9 -16.3 -3.0 2.1 3.7 184 238 A L < + 0 0 10 -3,-2.5 -1,-0.4 -32,-0.1 2,-0.3 -0.466 27.3 167.3 -68.6 132.7 0.8 1.7 3.9 185 239 A R E -D 151 0A 157 -34,-2.3 -34,-3.0 -2,-0.2 3,-0.1 -0.939 47.8 -67.2-136.1 169.1 1.8 -1.9 3.9 186 240 A V E -D 150 0A 94 -2,-0.3 -36,-0.3 -36,-0.2 2,-0.2 -0.247 61.4-109.1 -56.0 135.3 5.1 -3.7 3.5 187 241 A c - 0 0 3 -38,-2.9 2,-0.2 1,-0.1 -38,-0.1 -0.511 29.8-124.2 -66.6 136.8 6.3 -3.3 -0.1 188 242 A E - 0 0 130 -2,-0.2 -56,-0.2 1,-0.1 -1,-0.1 -0.485 33.4 -97.3 -73.1 143.8 6.1 -6.4 -2.2 189 243 A D S S+ 0 0 136 -2,-0.2 -1,-0.1 -57,-0.1 -58,-0.0 -0.344 91.4 50.1 -56.4 144.4 9.3 -7.6 -3.8 190 244 A G S S+ 0 0 15 -3,-0.1 -58,-2.5 2,-0.0 -57,-0.1 -0.819 96.8 0.6 124.2-161.7 9.3 -6.3 -7.4 191 245 A P E -G 131 0B 59 0, 0.0 -32,-0.4 0, 0.0 2,-0.4 -0.207 57.8-177.9 -67.5 145.2 8.8 -3.0 -9.2 192 246 A V E -G 130 0B 1 -62,-2.6 -62,-2.7 -34,-0.1 2,-0.5 -0.993 22.3-131.9-143.2 141.5 8.0 0.0 -7.2 193 247 A F B -e 160 0A 52 -34,-2.8 -32,-2.4 -2,-0.4 -64,-0.1 -0.823 12.2-169.8 -93.6 134.9 7.2 3.6 -8.2 194 248 A Y - 0 0 4 -2,-0.5 -68,-2.4 -68,-0.4 -66,-0.1 -0.895 29.2-144.1-121.7 92.9 9.1 6.3 -6.4 195 249 A P - 0 0 8 0, 0.0 -183,-0.2 0, 0.0 -182,-0.1 -0.369 7.3-125.7 -79.0 131.8 7.1 9.3 -7.7 196 250 A P - 0 0 51 0, 0.0 -169,-0.0 0, 0.0 -70,-0.0 -0.508 46.5 -98.0 -61.7 136.9 8.5 12.7 -8.5 197 251 A P 0 0 42 0, 0.0 -170,-0.1 0, 0.0 -173,-0.0 -0.202 360.0 360.0 -60.4 155.1 6.5 15.3 -6.5 198 252 A K 0 0 94 -3,-0.1 -186,-0.0 -186,-0.0 0, 0.0 -0.395 360.0 360.0 -84.7 360.0 3.6 17.1 -8.2