==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-AUG-02 1IYB . COMPND 2 MOLECULE: RIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA GLUTINOSA; . AUTHOR S.KAWANO,Y.KAKUTA,M.KIMURA . 416 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 2 0 0 4 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 2 0 0 2 4 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 . 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 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 -3 A Y 0 0 242 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.2 9.9 39.8 21.7 2 -2 A V - 0 0 106 1,-0.0 2,-0.5 2,-0.0 0, 0.0 -0.664 360.0-149.9 -82.5 127.7 13.5 41.0 21.4 3 -1 A E - 0 0 161 -2,-0.4 2,-0.4 0, 0.0 -1,-0.0 -0.859 9.5-154.0 -99.5 125.4 15.1 42.2 24.7 4 0 A F - 0 0 114 -2,-0.5 2,-0.1 1,-0.0 3,-0.1 -0.835 11.2-130.3-103.4 137.8 17.7 44.9 24.3 5 1 A A - 0 0 88 -2,-0.4 2,-0.1 1,-0.1 -1,-0.0 -0.436 36.0 -87.8 -81.8 156.4 20.5 45.3 26.9 6 2 A Q - 0 0 85 1,-0.1 -1,-0.1 -2,-0.1 99,-0.1 -0.391 29.7-145.1 -63.3 138.1 21.4 48.7 28.4 7 3 A D S S+ 0 0 34 97,-0.3 2,-0.3 -2,-0.1 262,-0.3 0.228 75.2 42.1 -91.5 14.9 23.9 50.6 26.3 8 4 A F - 0 0 5 1,-0.1 41,-0.2 46,-0.1 3,-0.1 -0.976 59.7-146.8-153.8 164.2 25.7 52.2 29.3 9 5 A D S S- 0 0 48 39,-2.2 174,-0.7 1,-0.3 2,-0.3 0.830 74.3 -14.6-102.3 -44.7 27.1 51.5 32.8 10 6 A F E -AB 48 182A 2 38,-2.2 38,-3.1 172,-0.2 2,-0.3 -0.888 64.2-107.0-150.6 177.6 26.7 54.6 34.8 11 7 A F E -AB 47 181A 0 170,-2.9 170,-2.3 -2,-0.3 2,-0.5 -0.894 10.2-147.0-117.0 149.3 26.1 58.4 34.6 12 8 A Y E -AB 46 180A 4 34,-2.0 34,-3.2 -2,-0.3 2,-0.8 -0.960 14.4-153.6-106.2 123.1 28.3 61.4 35.0 13 9 A F E -AB 45 179A 1 166,-3.2 166,-1.8 -2,-0.5 2,-0.5 -0.914 22.1-162.8 -98.5 112.0 26.3 64.3 36.4 14 10 A V E -AB 44 178A 0 30,-2.9 29,-3.0 -2,-0.8 30,-1.6 -0.855 15.5-176.8-107.9 129.7 28.2 67.3 35.1 15 11 A Q E -AB 42 177A 2 162,-2.0 162,-2.2 -2,-0.5 2,-0.3 -0.938 12.2-149.1-121.3 143.6 28.0 70.9 36.3 16 12 A Q E -AB 41 176A 7 25,-2.8 25,-2.6 -2,-0.4 160,-0.2 -0.854 13.2-130.5-114.5 147.7 29.8 73.9 34.8 17 13 A W >> - 0 0 0 158,-2.5 3,-1.6 -2,-0.3 4,-1.1 -0.856 13.9-151.4 -95.4 114.8 31.1 77.1 36.5 18 14 A P H 3> S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.839 93.0 63.3 -55.1 -34.4 29.9 80.1 34.5 19 15 A G H 34 S+ 0 0 4 1,-0.2 4,-0.2 187,-0.2 188,-0.1 0.781 107.9 42.6 -62.1 -25.6 33.0 82.2 35.5 20 16 A S H <4 S+ 0 0 0 -3,-1.6 -1,-0.2 155,-0.2 155,-0.1 0.633 111.2 53.0 -94.4 -18.6 35.2 79.7 33.7 21 17 A Y H < S+ 0 0 71 -4,-1.1 3,-0.4 -3,-0.3 -2,-0.2 0.788 114.2 44.6 -83.3 -27.6 33.1 79.3 30.6 22 18 A a S < S+ 0 0 32 -4,-2.0 6,-0.2 -5,-0.2 -2,-0.2 0.392 100.9 63.0 -99.0 1.9 33.0 83.1 30.1 23 19 A D S S+ 0 0 34 -4,-0.2 145,-1.9 -5,-0.1 146,-0.3 0.075 79.7 99.3-116.1 26.4 36.6 84.2 30.7 24 20 A T S S- 0 0 20 -3,-0.4 144,-0.2 2,-0.3 143,-0.1 -0.305 91.8 -92.4 -98.0-174.1 38.4 82.4 27.8 25 21 A K S S+ 0 0 171 141,-0.3 2,-0.2 142,-0.2 142,-0.1 0.706 106.4 79.1 -72.6 -19.6 39.5 83.7 24.4 26 22 A Q S S- 0 0 161 1,-0.1 -2,-0.3 -5,-0.1 2,-0.2 -0.507 89.7-104.8 -86.9 158.4 36.2 82.6 23.0 27 23 A S - 0 0 91 -2,-0.2 2,-0.3 -4,-0.1 58,-0.3 -0.502 29.7-169.9 -85.0 152.3 32.9 84.5 23.4 28 24 A a - 0 0 30 -6,-0.2 2,-0.4 -2,-0.2 56,-0.2 -0.938 7.3-154.2-134.3 152.8 30.1 83.6 25.8 29 25 A b - 0 0 32 54,-2.2 59,-0.2 -2,-0.3 3,-0.1 -0.998 15.6-124.6-134.3 135.4 26.6 85.2 25.9 30 26 A Y - 0 0 97 -2,-0.4 5,-0.2 1,-0.1 53,-0.1 -0.402 43.1 -91.8 -73.3 154.5 24.2 85.5 28.8 31 27 A P > - 0 0 13 0, 0.0 3,-2.2 0, 0.0 58,-0.2 -0.167 44.3 -98.9 -59.4 163.5 20.7 84.1 28.2 32 28 A K T 3 S+ 0 0 156 56,-2.0 57,-0.1 1,-0.3 3,-0.1 0.815 123.4 60.4 -55.2 -31.8 18.1 86.6 26.9 33 29 A T T 3 S- 0 0 137 55,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.508 115.6-102.5 -76.2 -5.9 16.8 87.0 30.4 34 30 A G < - 0 0 30 -3,-2.2 -1,-0.2 2,-0.0 0, 0.0 -0.594 63.7 -9.7 118.0-178.5 20.1 88.3 31.8 35 31 A K S S- 0 0 108 -2,-0.2 3,-0.1 -5,-0.2 -5,-0.0 -0.357 70.4-123.7 -59.2 123.7 23.2 87.3 33.7 36 32 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 -0.216 38.1 -82.9 -65.2 161.9 22.7 83.9 35.4 37 33 A A - 0 0 56 41,-0.3 2,-2.5 1,-0.1 0, 0.0 -0.305 47.3-103.8 -62.0 150.3 23.1 83.5 39.1 38 34 A S S S+ 0 0 48 -3,-0.1 2,-0.3 170,-0.1 -1,-0.1 -0.391 87.8 103.4 -77.7 65.4 26.7 83.1 40.3 39 35 A D S S- 0 0 67 -2,-2.5 -23,-0.1 -23,-0.1 2,-0.1 -0.877 83.5 -82.2-136.5 166.1 26.2 79.4 40.9 40 36 A F - 0 0 6 -2,-0.3 2,-0.3 -23,-0.1 -23,-0.2 -0.417 47.6-148.4 -67.3 151.2 27.3 76.2 39.1 41 37 A G E -A 16 0A 4 -25,-2.6 -25,-2.8 39,-0.1 39,-0.2 -0.874 21.5 -96.4-120.6 156.2 24.8 75.4 36.3 42 38 A I E +A 15 0A 0 37,-2.8 -27,-0.2 -2,-0.3 3,-0.1 -0.471 33.2 176.8 -69.9 137.0 23.9 72.0 34.9 43 39 A H E - 0 0 33 -29,-3.0 2,-0.3 1,-0.3 -28,-0.2 0.761 58.2 -69.4-100.9 -55.2 25.7 70.9 31.8 44 40 A G E -A 14 0A 0 -30,-1.6 -30,-2.9 74,-0.1 2,-0.6 -0.988 30.3 -97.8 177.8 174.8 24.1 67.4 31.6 45 41 A L E -A 13 0A 1 -2,-0.3 -32,-0.2 -32,-0.2 73,-0.1 -0.965 46.6-163.1-113.6 109.0 23.5 63.9 32.8 46 42 A W E -A 12 0A 36 -34,-3.2 -34,-2.0 -2,-0.6 -36,-0.1 -0.844 17.0-139.2-109.5 114.6 25.8 61.7 30.7 47 43 A P E +A 11 0A 0 0, 0.0 2,-0.3 0, 0.0 -36,-0.2 -0.420 35.6 175.2 -63.5 138.8 25.5 57.9 30.2 48 44 A N E -A 10 0A 8 -38,-3.1 -39,-2.2 6,-0.2 -38,-2.2 -0.938 26.2-121.8-143.1 163.0 29.1 56.4 30.3 49 45 A N > - 0 0 0 4,-2.7 3,-1.9 -2,-0.3 -41,-0.0 -0.752 25.6-117.5-107.1 154.6 30.8 53.1 30.2 50 46 A N T 3 S+ 0 0 84 -2,-0.3 -1,-0.1 1,-0.3 4,-0.0 0.796 113.0 59.5 -59.9 -28.6 33.2 51.6 32.8 51 47 A D T 3 S- 0 0 95 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.433 121.8-102.6 -82.9 3.7 36.0 51.5 30.2 52 48 A G S < S+ 0 0 33 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.079 88.5 112.0 100.9 -25.4 35.9 55.2 29.6 53 49 A S - 0 0 28 -5,-0.1 -4,-2.7 216,-0.0 -1,-0.4 -0.243 49.0-160.7 -74.1 170.4 34.0 55.2 26.3 54 50 A Y - 0 0 102 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.1 -0.990 17.3-117.2-155.3 145.8 30.4 56.5 26.1 55 51 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 211,-0.2 -0.507 33.6-173.8 -80.5 153.7 27.4 56.1 23.9 56 52 A S B +G 265 0B 8 209,-1.4 209,-1.5 -2,-0.1 45,-0.2 -0.992 55.6 10.0-151.4 145.6 26.1 59.2 22.1 57 53 A N S S+ 0 0 32 43,-1.9 3,-0.2 -2,-0.3 43,-0.2 0.949 70.0 169.4 52.2 60.6 23.1 60.2 19.8 58 54 A c + 0 0 11 41,-0.3 2,-0.2 42,-0.3 -1,-0.1 0.579 56.1 32.3 -80.7 -14.6 21.3 56.9 20.5 59 55 A D > - 0 0 25 40,-0.4 3,-1.7 3,-0.1 -1,-0.2 -0.691 48.0-177.8-151.5 96.8 17.8 57.4 19.1 60 56 A S T 3 S+ 0 0 32 156,-2.3 156,-0.1 1,-0.3 157,-0.1 0.649 88.0 60.3 -64.8 -15.7 17.1 59.6 16.1 61 57 A N T 3 S+ 0 0 58 154,-0.4 -1,-0.3 1,-0.2 155,-0.1 0.227 91.3 70.1 -98.9 15.3 13.4 58.9 16.5 62 58 A S S < S+ 0 0 24 -3,-1.7 -1,-0.2 154,-0.1 -3,-0.1 -0.560 71.7 178.9-126.6 64.2 13.2 60.3 19.9 63 59 A P - 0 0 76 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.288 41.6 -85.1 -67.8 153.5 13.6 64.1 19.2 64 60 A Y - 0 0 35 31,-0.1 2,-0.4 1,-0.1 31,-0.1 -0.338 43.3-170.0 -57.7 135.7 13.5 66.6 22.1 65 61 A D > - 0 0 62 1,-0.1 3,-2.1 -3,-0.1 4,-0.3 -0.833 9.8-168.9-133.5 92.7 9.9 67.6 22.9 66 62 A Q G > S+ 0 0 63 -2,-0.4 3,-1.7 1,-0.3 7,-0.1 0.756 82.8 70.6 -55.9 -25.4 9.8 70.6 25.2 67 63 A S G > S+ 0 0 81 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.806 90.5 62.0 -62.9 -26.0 6.1 70.1 25.8 68 64 A Q G < S+ 0 0 85 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.597 113.2 34.3 -75.1 -10.9 6.9 67.0 27.7 69 65 A V G X> S+ 0 0 0 -3,-1.7 3,-2.4 -4,-0.3 4,-0.8 0.089 75.6 124.1-129.7 22.7 8.8 69.0 30.3 70 66 A S G X4 S+ 0 0 81 -3,-0.9 3,-0.6 1,-0.3 4,-0.4 0.825 74.0 57.5 -53.2 -34.9 6.8 72.2 30.4 71 67 A D G 34 S+ 0 0 99 1,-0.2 -1,-0.3 -4,-0.2 4,-0.1 0.532 108.5 47.5 -75.2 -6.0 6.3 71.9 34.2 72 68 A L G <> S+ 0 0 4 -3,-2.4 4,-2.2 2,-0.1 3,-0.4 0.498 83.9 94.5-110.1 -9.3 10.1 71.9 34.6 73 69 A I H S+ 0 0 76 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.903 113.4 45.2 -59.5 -38.5 11.1 77.5 35.2 75 71 A R H > S+ 0 0 96 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.857 112.7 51.1 -71.7 -34.8 13.5 75.3 37.2 76 72 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.843 104.7 57.1 -70.6 -33.8 15.6 74.6 34.0 77 73 A Q H < S+ 0 0 98 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.886 115.3 37.6 -64.7 -36.4 15.8 78.3 33.3 78 74 A Q H < S+ 0 0 137 -4,-1.2 -41,-0.3 -5,-0.2 -2,-0.2 0.870 129.8 28.6 -82.4 -37.7 17.3 78.9 36.7 79 75 A N H < S+ 0 0 50 -4,-2.6 -37,-2.8 1,-0.2 -3,-0.2 0.563 122.3 43.2-103.2 -10.6 19.5 75.8 37.0 80 76 A W S < S+ 0 0 0 -4,-2.5 -1,-0.2 -39,-0.2 14,-0.1 -0.380 74.6 168.4-132.0 54.1 20.4 74.9 33.4 81 77 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 9,-0.1 -0.312 30.4-129.9 -71.0 153.7 21.3 78.2 31.6 82 78 A T - 0 0 17 6,-0.1 6,-0.2 1,-0.1 9,-0.1 -0.837 18.7-175.8-101.0 139.2 23.0 78.3 28.2 83 79 A L + 0 0 4 -2,-0.4 -54,-2.2 -53,-0.1 2,-0.1 0.160 45.8 116.4-118.7 15.3 26.0 80.6 27.9 84 80 A A - 0 0 41 -56,-0.2 4,-0.3 2,-0.1 -56,-0.1 -0.436 67.3 -70.0 -83.2 159.1 26.5 80.1 24.1 85 81 A b S S+ 0 0 57 -58,-0.3 2,-0.2 -2,-0.1 -2,-0.1 -0.788 105.9 37.5-102.7 145.2 26.3 82.9 21.6 86 82 A P S S- 0 0 114 0, 0.0 -57,-0.1 0, 0.0 -2,-0.1 0.610 107.6 -90.2 -78.8 169.5 24.1 84.5 20.5 87 83 A S - 0 0 56 -2,-0.2 2,-0.2 -56,-0.1 -2,-0.1 -0.129 58.6-170.6 -44.1 126.0 22.0 85.0 23.7 88 84 A G - 0 0 19 -4,-0.3 -56,-2.0 -59,-0.2 -55,-0.3 -0.595 38.1-122.4-119.4 180.0 19.5 82.1 23.8 89 85 A T - 0 0 87 -2,-0.2 -1,-0.1 -58,-0.2 -7,-0.1 0.747 56.2-111.1 -88.7 -29.4 16.5 80.8 25.7 90 86 A G S > S+ 0 0 4 -9,-0.1 4,-2.6 -59,-0.0 3,-0.5 0.009 90.8 108.9 119.2 -22.7 18.2 77.5 26.7 91 87 A S H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.828 76.2 52.6 -54.3 -40.4 16.1 75.2 24.4 92 88 A A H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 112.2 47.1 -65.1 -36.7 18.9 74.5 22.0 93 89 A F H > S+ 0 0 32 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.945 114.4 45.4 -69.2 -48.5 21.2 73.5 24.9 94 90 A W H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.902 112.9 51.1 -62.5 -41.1 18.5 71.3 26.5 95 91 A S H X S+ 0 0 27 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.925 109.4 51.2 -61.9 -44.7 17.6 69.7 23.2 96 92 A H H X S+ 0 0 91 -4,-2.0 4,-2.6 1,-0.2 5,-0.4 0.908 109.5 49.6 -59.3 -44.9 21.3 68.9 22.5 97 93 A E H X>S+ 0 0 2 -4,-2.2 5,-2.1 2,-0.2 4,-1.9 0.891 113.5 46.2 -65.2 -37.9 21.7 67.3 25.9 98 94 A W H <>S+ 0 0 2 -4,-2.2 5,-2.5 3,-0.2 6,-0.2 0.959 116.4 43.4 -68.8 -49.2 18.6 65.1 25.4 99 95 A E H <5S+ 0 0 53 -4,-2.8 -40,-0.4 3,-0.2 -41,-0.3 0.884 122.5 36.8 -65.7 -38.8 19.4 64.0 21.9 100 96 A K H <5S+ 0 0 56 -4,-2.6 -43,-1.9 -5,-0.2 -42,-0.3 0.891 139.9 5.8 -81.2 -39.7 23.1 63.3 22.5 101 97 A H T ><5S+ 0 0 7 -4,-1.9 3,-1.4 -5,-0.4 -3,-0.2 0.811 121.1 58.3-112.1 -49.4 22.9 61.9 26.0 102 98 A G G > S+ 0 0 1 -3,-2.3 4,-2.4 -4,-0.2 3,-2.4 0.047 74.8 126.5-132.1 22.0 19.3 56.2 28.7 106 102 A E T <4 + 0 0 61 -3,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.725 69.2 61.2 -51.8 -29.9 15.8 56.0 27.3 107 103 A N T 34 S+ 0 0 97 1,-0.1 -1,-0.3 -4,-0.1 3,-0.1 0.637 114.2 35.0 -74.9 -15.4 15.2 52.6 29.0 108 104 A V T <4 S+ 0 0 40 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.795 128.4 16.8-105.0 -44.4 15.7 54.3 32.3 109 105 A F < - 0 0 33 -4,-2.4 -1,-0.3 -7,-0.2 -4,-0.1 -0.992 60.3-149.4-134.1 139.8 14.2 57.8 32.0 110 106 A D > - 0 0 100 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.268 53.5 -79.9 -88.5-171.5 11.9 59.3 29.4 111 107 A Q H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.937 132.1 45.7 -59.3 -48.0 12.3 63.1 28.7 112 108 A H H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 115.8 47.5 -60.7 -44.1 10.4 64.3 31.8 113 109 A G H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.849 110.6 52.5 -65.1 -35.7 12.3 61.8 34.0 114 110 A Y H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.960 114.4 39.5 -65.2 -55.1 15.7 62.7 32.5 115 111 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.878 115.5 53.3 -65.1 -36.7 15.4 66.4 33.1 116 112 A K H X S+ 0 0 87 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.919 108.1 50.0 -64.4 -42.8 13.7 66.0 36.5 117 113 A K H X S+ 0 0 37 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.923 110.3 50.3 -61.8 -43.1 16.5 63.7 37.7 118 114 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.910 112.2 47.7 -60.7 -42.4 19.1 66.3 36.6 119 115 A L H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.887 112.0 49.1 -66.0 -39.9 17.2 69.0 38.4 120 116 A D H X S+ 0 0 57 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.896 111.0 49.5 -67.6 -39.7 16.9 66.9 41.6 121 117 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.883 108.3 55.4 -64.8 -37.2 20.6 66.0 41.5 122 118 A K H < S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.916 110.5 43.4 -61.6 -45.0 21.4 69.8 41.1 123 119 A N H < S+ 0 0 138 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.833 114.3 52.3 -69.6 -32.2 19.4 70.6 44.2 124 120 A Q H < S+ 0 0 107 -4,-1.9 2,-0.5 1,-0.2 -2,-0.2 0.819 113.9 43.5 -71.7 -33.5 21.0 67.6 46.0 125 121 A I < + 0 0 0 -4,-2.3 2,-1.3 -5,-0.1 -1,-0.2 -0.736 66.4 177.5-119.8 81.8 24.6 68.7 45.1 126 122 A N > - 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