==== 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 05-NOV-05 2EWR . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM1012; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 21.8 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 . 12 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 2 0 0 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 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 2 A I 0 0 91 0, 0.0 38,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 156.1 38.1 24.6 -5.0 2 3 A R >> - 0 0 86 1,-0.1 4,-1.8 38,-0.1 3,-1.0 -0.377 360.0-116.9 -66.2 144.2 35.1 25.2 -7.3 3 4 A P H 3> S+ 0 0 81 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.843 111.7 60.4 -55.3 -36.8 34.6 28.8 -8.2 4 5 A E H 3> S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.876 107.3 46.9 -62.2 -32.5 31.2 29.1 -6.4 5 6 A Y H <> S+ 0 0 23 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.873 110.0 52.5 -73.0 -37.9 32.9 28.3 -3.1 6 7 A L H X S+ 0 0 34 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.914 109.1 51.1 -61.9 -42.1 35.8 30.7 -3.8 7 8 A R H X S+ 0 0 151 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.899 111.9 45.0 -64.1 -41.3 33.2 33.4 -4.4 8 9 A V H X S+ 0 0 2 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.918 110.5 55.3 -69.0 -39.7 31.3 32.7 -1.1 9 10 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.937 107.6 50.2 -56.2 -43.2 34.6 32.5 0.7 10 11 A R H X S+ 0 0 81 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.912 108.6 51.6 -60.2 -43.8 35.4 36.0 -0.6 11 12 A K H X S+ 0 0 91 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.912 113.9 44.4 -60.5 -41.1 32.0 37.3 0.6 12 13 A I H X S+ 0 0 3 -4,-2.6 4,-1.4 2,-0.2 3,-0.4 0.952 114.1 48.7 -63.3 -52.7 32.7 35.9 4.1 13 14 A Y H X S+ 0 0 35 -4,-3.1 4,-2.9 1,-0.2 3,-0.5 0.901 105.7 57.5 -56.7 -45.1 36.2 37.1 4.2 14 15 A D H < S+ 0 0 70 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.859 111.1 43.2 -59.5 -36.1 35.3 40.6 3.1 15 16 A R H < S+ 0 0 88 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.700 123.6 35.2 -79.1 -23.6 32.9 41.0 6.0 16 17 A L H >< S+ 0 0 2 -4,-1.4 3,-1.8 -3,-0.5 5,-0.3 0.661 91.9 86.8 -99.7 -20.8 35.2 39.5 8.7 17 18 A K T 3< S+ 0 0 87 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.687 102.4 30.8 -61.2 -27.0 38.7 40.6 7.6 18 19 A N T 3 S+ 0 0 145 -4,-0.3 2,-0.3 -5,-0.2 -1,-0.3 0.105 102.3 97.9-116.8 21.1 38.5 43.9 9.5 19 20 A E S < S- 0 0 91 -3,-1.8 2,-2.0 2,-0.1 -3,-0.0 -0.833 82.1-116.1-108.1 145.6 36.2 42.8 12.4 20 21 A K + 0 0 189 -2,-0.3 2,-0.4 2,-0.1 -3,-0.1 -0.587 67.9 133.9 -80.8 72.3 37.5 41.7 15.8 21 22 A V - 0 0 19 -2,-2.0 2,-0.9 -5,-0.3 -2,-0.1 -0.998 53.9-140.2-128.5 129.6 36.2 38.1 15.4 22 23 A N + 0 0 35 -2,-0.4 26,-0.7 2,-0.0 2,-0.3 -0.859 46.0 152.9 -91.2 101.4 38.2 34.9 16.3 23 24 A W E -A 47 0A 17 -2,-0.9 2,-0.3 24,-0.2 24,-0.2 -0.942 26.1-174.8-135.2 155.6 37.3 32.6 13.4 24 25 A V E -A 46 0A 0 22,-2.1 22,-2.8 -2,-0.3 2,-0.3 -0.986 26.8-123.7-148.7 141.2 38.7 29.7 11.5 25 26 A V E +Ab 45 126A 0 100,-3.0 102,-1.4 -2,-0.3 2,-0.2 -0.678 39.6 177.7 -81.0 134.8 37.6 27.7 8.5 26 27 A T E >> +A 44 0A 14 18,-2.5 18,-0.7 -2,-0.3 4,-0.6 -0.785 33.4 22.7-128.4 172.5 37.3 24.0 9.3 27 28 A G H 3> S- 0 0 0 -2,-0.2 4,-2.6 1,-0.2 3,-0.5 -0.238 114.7 -8.0 70.3-156.0 36.3 20.8 7.6 28 29 A S H 3> S+ 0 0 23 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.835 133.9 49.2 -53.9 -43.3 36.2 20.2 3.9 29 30 A L H <> S+ 0 0 0 -3,-0.6 4,-2.8 13,-0.2 -1,-0.3 0.910 112.9 48.6 -64.2 -40.0 36.9 23.7 2.8 30 31 A S H X S+ 0 0 0 -4,-0.6 4,-1.6 -3,-0.5 -2,-0.2 0.922 111.7 49.6 -62.2 -45.9 39.9 24.0 5.2 31 32 A F H <>S+ 0 0 11 -4,-2.6 5,-2.5 2,-0.2 3,-0.4 0.961 112.8 47.3 -56.9 -49.7 41.2 20.7 4.0 32 33 A A H ><5S+ 0 0 21 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.921 109.0 53.2 -60.0 -45.5 40.9 21.8 0.3 33 34 A L H 3<5S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 108.9 51.5 -58.1 -30.4 42.5 25.2 1.0 34 35 A Q T 3<5S- 0 0 49 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.367 129.8 -93.7 -92.7 6.0 45.4 23.3 2.5 35 36 A G T < 5S+ 0 0 46 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.397 79.2 135.2 103.9 -0.4 45.8 21.0 -0.5 36 37 A V < - 0 0 3 -5,-2.5 2,-2.1 -6,-0.2 -1,-0.3 -0.716 56.2-131.2 -82.4 122.1 43.8 17.9 0.4 37 38 A P + 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.428 54.6 139.2 -78.5 79.1 41.7 17.0 -2.7 38 39 A V - 0 0 42 -2,-2.1 2,-0.2 -10,-0.2 -3,-0.1 -0.856 57.1-104.6-115.9 154.7 38.3 16.6 -1.1 39 40 A E - 0 0 113 -2,-0.3 2,-0.5 -38,-0.1 -7,-0.1 -0.549 30.2-148.3 -71.9 140.2 34.8 17.6 -2.2 40 41 A V + 0 0 21 -2,-0.2 3,-0.1 1,-0.1 -38,-0.1 -0.945 27.1 162.8-110.6 127.0 33.4 20.7 -0.4 41 42 A H + 0 0 132 -2,-0.5 47,-0.4 1,-0.2 2,-0.2 0.660 68.5 5.6-116.7 -23.8 29.6 20.8 0.0 42 43 A D S S- 0 0 31 45,-0.1 2,-0.4 48,-0.0 -13,-0.2 -0.774 75.0-109.9-138.1-174.8 29.2 23.4 2.7 43 44 A I E - c 0 89A 0 45,-2.2 47,-2.9 -2,-0.2 2,-0.5 -0.995 24.9-158.3-126.5 127.1 31.4 25.9 4.6 44 45 A D E -Ac 26 90A 46 -18,-0.7 -18,-2.5 -2,-0.4 2,-0.5 -0.939 7.3-172.7-110.2 124.9 32.2 25.3 8.3 45 46 A I E -Ac 25 91A 3 45,-3.2 47,-2.6 -2,-0.5 2,-0.4 -0.977 5.2-162.2-117.6 124.2 33.3 28.2 10.4 46 47 A Q E +Ac 24 92A 13 -22,-2.8 -22,-2.1 -2,-0.5 2,-0.2 -0.855 23.6 149.1-102.9 142.8 34.4 27.7 14.0 47 48 A T E -Ac 23 93A 2 45,-2.2 47,-2.3 -2,-0.4 48,-0.5 -0.786 45.1 -82.7-153.5-174.5 34.6 30.6 16.4 48 49 A D > - 0 0 63 -26,-0.7 4,-1.8 45,-0.3 61,-0.0 -0.415 53.2 -90.9 -94.9-179.7 34.3 31.4 20.1 49 50 A E H >> S+ 0 0 98 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.969 127.8 41.8 -59.9 -51.9 30.9 32.0 21.9 50 51 A E H 3> S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 110.8 59.0 -59.2 -39.7 30.9 35.8 21.3 51 52 A G H 3> S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.835 98.8 57.0 -60.7 -36.1 32.2 35.3 17.8 52 53 A A H < S+ 0 0 133 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.923 111.9 51.0 -62.9 -48.2 25.0 40.0 13.2 58 59 A I H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 121.8 33.1 -60.5 -35.9 27.6 40.7 10.5 59 60 A F T >< S+ 0 0 2 -4,-2.4 3,-2.3 -5,-0.2 4,-0.3 -0.167 79.9 141.3-109.1 34.6 25.8 38.3 8.0 60 61 A S G X + 0 0 75 -3,-1.5 3,-1.3 1,-0.3 -1,-0.2 0.800 64.9 55.7 -56.6 -35.8 22.3 39.1 9.3 61 62 A E G 3 S+ 0 0 117 1,-0.2 -1,-0.3 -3,-0.2 -4,-0.1 0.587 108.2 50.5 -72.0 -10.6 20.6 39.1 5.9 62 63 A F G < S+ 0 0 49 -3,-2.3 21,-2.6 -6,-0.2 2,-0.3 0.279 78.4 130.2-105.7 1.5 21.9 35.6 5.2 63 64 A V E < +D 82 0A 41 -3,-1.3 19,-0.3 -4,-0.3 3,-0.2 -0.491 20.6 165.1 -71.7 123.2 20.8 33.8 8.4 64 65 A S E S+ 0 0 56 17,-2.5 2,-0.3 1,-0.3 18,-0.2 0.603 78.9 24.3-102.7 -25.3 18.9 30.6 8.0 65 66 A K E S-D 81 0A 68 16,-2.1 16,-2.5 3,-0.0 -1,-0.3 -0.947 83.8-131.1-139.9 119.2 19.3 29.5 11.6 66 67 A K E - 0 0 152 -2,-0.3 2,-0.2 14,-0.2 13,-0.1 -0.385 39.4 -94.1 -66.5 147.2 19.9 32.0 14.4 67 68 A V E + 0 0 12 -15,-0.1 2,-0.3 13,-0.1 13,-0.3 -0.419 58.9 154.3 -64.4 130.7 22.7 31.1 16.7 68 69 A R E -D 79 0A 180 11,-1.6 11,-2.4 -2,-0.2 2,-0.2 -0.983 52.9 -88.8-152.9 150.9 21.7 29.3 19.8 69 70 A F E +D 78 0A 107 -2,-0.3 2,-0.3 9,-0.3 9,-0.3 -0.467 53.4 177.4 -61.6 129.0 23.3 26.8 22.2 70 71 A S E -D 77 0A 46 7,-2.9 7,-2.0 -2,-0.2 2,-0.4 -0.988 8.3-171.2-138.1 132.2 22.7 23.3 20.7 71 72 A S E +D 76 0A 72 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.980 10.0 179.5-129.5 148.8 23.9 19.9 22.0 72 73 A T - 0 0 82 3,-3.1 -2,-0.0 -2,-0.4 26,-0.0 -0.648 54.1 -88.7-117.4-174.4 23.9 16.4 20.8 73 74 A E S S+ 0 0 149 -2,-0.2 3,-0.1 1,-0.2 29,-0.1 0.791 127.3 31.5 -64.1 -26.4 25.3 13.3 22.6 74 75 A K S S+ 0 0 126 1,-0.2 24,-2.5 23,-0.1 2,-0.3 0.695 123.5 21.9-104.1 -26.0 28.7 14.0 21.0 75 76 A I E - E 0 97A 26 22,-0.2 -3,-3.1 29,-0.1 2,-0.3 -0.988 49.8-171.0-146.5 147.8 29.0 17.8 20.5 76 77 A C E +DE 71 96A 7 20,-2.2 20,-2.5 -2,-0.3 2,-0.3 -0.974 21.3 139.1-137.8 159.1 27.8 21.1 21.7 77 78 A S E -D 70 0A 2 -7,-2.0 -7,-2.9 -2,-0.3 2,-0.9 -0.963 61.3 -84.4-172.8 169.6 28.2 24.6 20.5 78 79 A H E -DE 69 93A 19 15,-2.6 15,-2.7 -2,-0.3 2,-0.5 -0.888 63.5-167.7 -89.0 107.1 26.6 28.0 19.9 79 80 A F E +DE 68 92A 44 -11,-2.4 -11,-1.6 -2,-0.9 2,-0.3 -0.876 22.5 149.3-117.3 124.0 25.3 26.9 16.5 80 81 A G E - E 0 91A 0 11,-2.4 11,-2.7 -2,-0.5 2,-0.4 -0.856 26.4-137.6-139.6 176.8 23.7 29.0 13.6 81 82 A E E -DE 65 90A 40 -16,-2.5 -17,-2.5 -2,-0.3 -16,-2.1 -0.999 8.4-165.7-143.4 140.8 23.6 28.8 9.9 82 83 A L E -DE 63 89A 3 7,-2.7 7,-2.8 -2,-0.4 2,-0.4 -0.855 9.7-152.4-111.7 156.2 23.9 31.1 6.9 83 84 A I E + E 0 88A 74 -21,-2.6 2,-0.5 -2,-0.3 5,-0.2 -0.979 17.5 177.7-126.6 119.2 22.9 30.6 3.3 84 85 A I E > S- E 0 87A 1 3,-2.6 3,-2.0 -2,-0.4 -76,-0.1 -0.982 73.4 -22.0-123.0 117.6 25.0 32.7 0.8 85 86 A D T 3 S- 0 0 109 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.895 128.1 -50.7 48.2 45.5 24.3 32.2 -2.9 86 87 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.474 113.8 118.4 77.7 -0.3 22.9 28.7 -2.1 87 88 A I E < - E 0 84A 12 -3,-2.0 -3,-2.6 -83,-0.1 2,-0.3 -0.887 61.5-131.3-102.9 126.5 25.8 27.6 -0.1 88 89 A K E - E 0 83A 47 -2,-0.5 -45,-2.2 -47,-0.4 2,-0.5 -0.599 16.6-163.7 -76.2 133.8 25.3 26.7 3.6 89 90 A V E -cE 43 82A 1 -7,-2.8 -7,-2.7 -2,-0.3 2,-0.6 -0.986 8.4-152.4-119.7 115.2 27.7 28.2 6.1 90 91 A E E -cE 44 81A 25 -47,-2.9 -45,-3.2 -2,-0.5 2,-0.6 -0.820 6.5-160.6 -93.0 123.0 27.7 26.5 9.5 91 92 A I E +cE 45 80A 2 -11,-2.7 -11,-2.4 -2,-0.6 2,-0.5 -0.910 12.8 176.6-106.3 118.2 28.7 28.7 12.4 92 93 A X E -cE 46 79A 52 -47,-2.6 -45,-2.2 -2,-0.6 2,-0.4 -0.961 7.8-166.9-130.6 112.4 29.8 26.9 15.6 93 94 A G E -cE 47 78A 0 -15,-2.7 -15,-2.6 -2,-0.5 -45,-0.3 -0.816 69.2 -2.0-101.0 136.3 31.0 28.9 18.6 94 95 A D E S- 0 0 37 -47,-2.3 -1,-0.2 -2,-0.4 2,-0.2 0.921 83.0-160.6 53.0 54.5 32.8 27.3 21.6 95 96 A I E - 0 0 25 -48,-0.5 2,-0.4 -3,-0.3 13,-0.4 -0.425 10.6-173.9 -67.2 130.5 32.6 23.8 20.2 96 97 A R E - E 0 76A 54 -20,-2.5 -20,-2.2 -2,-0.2 2,-0.3 -0.997 16.1-141.9-127.3 138.1 33.1 21.1 22.8 97 98 A K E - E 0 75A 18 -2,-0.4 8,-2.6 -22,-0.2 2,-0.3 -0.720 26.9-114.2 -88.5 140.5 33.3 17.3 22.3 98 99 A R B -G 104 0B 94 -24,-2.5 6,-0.2 -2,-0.3 2,-0.2 -0.549 32.3-139.0 -69.6 133.9 31.7 15.0 24.8 99 100 A L > - 0 0 79 4,-3.3 3,-2.2 -2,-0.3 -1,-0.1 -0.484 26.0 -99.6 -93.6 168.2 34.2 12.9 26.7 100 101 A E T 3 S+ 0 0 215 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.799 122.2 53.8 -60.8 -32.0 33.9 9.3 27.7 101 102 A D T 3 S- 0 0 122 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.336 122.9-103.3 -87.1 6.6 32.8 10.0 31.2 102 103 A G S < S+ 0 0 29 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.343 83.7 121.5 91.6 -4.4 30.0 12.3 29.9 103 104 A T - 0 0 67 -5,-0.1 -4,-3.3 1,-0.1 2,-0.4 -0.311 64.5-111.8 -78.5 169.7 31.7 15.6 30.7 104 105 A W B -G 98 0B 82 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.864 32.7-109.2 -99.3 139.4 32.4 18.2 28.0 105 106 A E - 0 0 39 -8,-2.6 3,-0.1 -2,-0.4 -1,-0.1 -0.246 43.8 -91.0 -61.5 158.0 36.0 19.0 27.0 106 107 A D - 0 0 131 1,-0.2 -9,-0.2 -10,-0.1 -1,-0.1 -0.177 60.0 -71.6 -63.3 160.1 37.5 22.3 28.1 107 108 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.330 54.7-121.3 -57.2 136.5 37.2 25.3 25.8 108 109 A V - 0 0 30 -13,-0.4 2,-1.1 -3,-0.1 3,-0.1 -0.695 12.6-131.5 -85.6 129.2 39.5 24.9 22.7 109 110 A D >> - 0 0 97 -2,-0.4 3,-1.0 1,-0.2 4,-0.8 -0.687 21.9-169.5 -81.5 97.3 42.1 27.6 22.2 110 111 A L H >> S+ 0 0 8 -2,-1.1 3,-0.8 1,-0.3 4,-0.8 0.863 81.3 59.4 -63.7 -36.1 41.5 28.3 18.5 111 112 A N H 34 S+ 0 0 101 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.815 96.8 62.4 -61.7 -27.0 44.6 30.4 18.2 112 113 A K H <4 S+ 0 0 141 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.4 31.0 -63.8 -34.3 46.8 27.4 19.3 113 114 A Y H << S+ 0 0 67 -4,-0.8 15,-2.6 -3,-0.8 -1,-0.2 0.348 92.7 117.6-110.3 5.2 45.7 25.4 16.2 114 115 A K E < +F 127 0A 33 -4,-0.8 2,-0.3 -3,-0.4 13,-0.2 -0.490 35.0 177.8 -78.8 141.4 45.1 28.2 13.7 115 116 A R E -F 126 0A 147 11,-2.9 11,-2.9 -2,-0.2 2,-0.4 -0.854 20.5-128.6-129.2 171.2 47.1 28.3 10.4 116 117 A F E -F 125 0A 124 -2,-0.3 2,-0.4 9,-0.2 7,-0.1 -0.988 14.8-168.3-131.4 138.1 46.8 30.8 7.5 117 118 A V E -F 124 0A 27 7,-2.2 7,-3.3 -2,-0.4 2,-0.6 -0.977 16.0-141.3-121.2 130.4 46.5 30.2 3.8 118 119 A E E +F 123 0A 158 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.796 32.2 160.3 -90.1 127.3 46.9 32.9 1.2 119 120 A T E > -F 122 0A 28 3,-2.4 3,-2.4 -2,-0.6 -2,-0.1 -0.952 65.2 -15.8-147.1 129.6 44.5 32.5 -1.7 120 121 A H T 3 S- 0 0 131 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.815 128.7 -49.1 48.4 39.5 43.4 35.1 -4.2 121 122 A G T 3 S+ 0 0 59 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.428 115.9 115.2 84.6 0.4 44.7 38.0 -2.1 122 123 A X E < - F 0 119A 2 -3,-2.4 -3,-2.4 2,-0.0 2,-0.8 -0.805 59.2-145.5-104.0 144.8 43.0 36.7 1.1 123 124 A K E - F 0 118A 85 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.891 27.6-165.9-106.9 101.3 44.7 35.5 4.2 124 125 A I E - F 0 117A 0 -7,-3.3 -7,-2.2 -2,-0.8 2,-0.4 -0.794 16.3-133.9 -96.8 127.8 42.3 32.7 5.4 125 126 A P E + F 0 116A 8 0, 0.0 -100,-3.0 0, 0.0 2,-0.3 -0.649 33.2 175.9 -77.0 128.7 42.4 31.2 8.9 126 127 A V E -bF 25 115A 0 -11,-2.9 -11,-2.9 -2,-0.4 2,-0.4 -0.885 29.3-104.8-132.0 159.9 42.2 27.4 8.7 127 128 A L E - F 0 114A 2 -102,-1.4 -13,-0.2 -2,-0.3 5,-0.1 -0.688 42.3 -93.2 -92.5 141.0 42.5 24.7 11.3 128 129 A S > - 0 0 12 -15,-2.6 4,-2.4 -2,-0.4 5,-0.2 -0.160 27.4-141.9 -43.9 128.2 45.5 22.5 11.9 129 130 A L H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.886 102.4 52.4 -66.1 -37.3 45.0 19.3 9.9 130 131 A E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 108.4 51.3 -65.7 -36.9 46.6 17.2 12.7 131 132 A Y H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.950 111.8 46.1 -61.0 -49.8 44.2 18.7 15.1 132 133 A E H X S+ 0 0 11 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.896 109.4 56.2 -62.1 -38.1 41.2 17.8 12.9 133 134 A Y H X S+ 0 0 40 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.951 110.8 42.5 -58.0 -51.0 42.6 14.3 12.4 134 135 A Q H X S+ 0 0 88 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.900 115.5 49.4 -64.8 -39.3 42.7 13.6 16.1 135 136 A A H X S+ 0 0 10 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.891 108.9 52.9 -66.7 -41.3 39.3 15.2 16.7 136 137 A Y H X>S+ 0 0 15 -4,-3.1 5,-2.5 1,-0.2 4,-0.8 0.903 106.8 52.7 -62.8 -40.3 37.7 13.3 13.9 137 138 A L H ><5S+ 0 0 65 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.938 108.3 50.6 -56.9 -48.8 39.0 10.0 15.4 138 139 A K H 3<5S+ 0 0 145 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.863 111.8 48.2 -58.3 -35.9 37.4 10.9 18.7 139 140 A L H 3<5S- 0 0 22 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.524 116.5-112.6 -80.8 -7.8 34.1 11.6 17.0 140 141 A G T <<5S+ 0 0 52 -3,-1.2 2,-1.8 -4,-0.8 3,-0.3 0.639 71.6 139.9 82.1 16.6 34.2 8.4 15.0 141 142 A R >< + 0 0 112 -5,-2.5 4,-2.4 1,-0.2 5,-0.2 -0.472 22.2 158.5 -86.5 66.7 34.6 10.1 11.6 142 143 A V H > + 0 0 68 -2,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.880 61.8 48.7 -70.9 -43.4 37.0 7.4 10.7 143 144 A E H > S+ 0 0 119 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.947 114.4 46.6 -64.3 -43.2 37.0 7.6 6.9 144 145 A K H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.919 113.9 48.9 -64.9 -42.2 37.5 11.3 6.9 145 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.931 111.7 49.9 -59.2 -43.3 40.2 10.9 9.4 146 147 A E H X S+ 0 0 116 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.845 107.2 53.8 -66.2 -38.1 41.8 8.2 7.3 147 148 A T H X S+ 0 0 51 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.942 112.3 44.0 -59.8 -46.0 41.7 10.3 4.2 148 149 A L H X S+ 0 0 2 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.910 114.8 50.0 -64.4 -45.0 43.5 13.1 6.0 149 150 A R H X S+ 0 0 49 -4,-2.6 4,-3.4 2,-0.2 5,-0.2 0.915 109.9 49.1 -60.7 -46.1 46.0 10.7 7.5 150 151 A K H X S+ 0 0 134 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.949 112.9 47.7 -62.5 -46.0 46.8 9.0 4.2 151 152 A W H X S+ 0 0 40 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.923 115.1 45.5 -60.1 -45.0 47.3 12.4 2.5 152 153 A L H >< S+ 0 0 32 -4,-3.0 3,-0.7 1,-0.2 4,-0.4 0.897 112.5 50.7 -65.2 -42.8 49.6 13.6 5.4 153 154 A N H >< S+ 0 0 96 -4,-3.4 3,-0.8 1,-0.2 -1,-0.2 0.865 107.0 55.6 -60.8 -35.4 51.5 10.3 5.5 154 155 A E H 3< S+ 0 0 119 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.715 111.3 43.6 -72.6 -18.8 52.0 10.5 1.7 155 156 A R T << 0 0 143 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.352 360.0 360.0-106.7 5.8 53.6 14.0 2.1 156 157 A K < 0 0 176 -3,-0.8 -3,-0.0 -4,-0.4 -4,-0.0 -0.281 360.0 360.0 -71.2 360.0 55.9 13.4 5.1