==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUL-10 3NWO . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 0 0 0 1 1 1 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 8 A S 0 0 123 0, 0.0 15,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.1 20.3 48.8 32.8 2 9 A S E +A 15 0A 65 13,-0.2 2,-0.3 2,-0.0 13,-0.2 -0.983 360.0 155.7-155.1 157.4 18.1 46.7 30.5 3 10 A R E -A 14 0A 127 11,-1.8 11,-3.1 -2,-0.3 2,-0.3 -0.943 41.2 -93.1-166.6 171.0 15.3 44.2 30.4 4 11 A T E -A 13 0A 59 -2,-0.3 9,-0.2 9,-0.2 64,-0.0 -0.797 31.3-159.4 -99.0 149.5 12.5 43.0 28.1 5 12 A V E -A 12 0A 1 7,-2.6 7,-3.0 -2,-0.3 2,-0.2 -0.933 28.3-100.3-122.1 150.5 9.0 44.3 28.2 6 13 A P E +A 11 0A 73 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.475 33.2 176.9 -75.4 138.7 5.9 42.6 26.9 7 14 A F E > S-A 10 0A 25 3,-2.2 3,-2.6 -2,-0.2 2,-0.1 -0.878 70.3 -59.0-132.5 100.5 4.5 43.5 23.5 8 15 A G T 3 S- 0 0 69 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 -0.427 117.8 -22.7 58.9-131.8 1.6 41.2 23.0 9 16 A D T 3 S+ 0 0 156 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.1 0.386 128.3 83.8 -84.9 1.1 3.1 37.7 23.0 10 17 A H E < S-A 7 0A 41 -3,-2.6 -3,-2.2 59,-0.1 2,-0.5 -0.432 74.4-123.4-105.7 173.5 6.5 39.0 22.2 11 18 A E E -A 6 0A 77 -5,-0.2 58,-2.3 -2,-0.1 2,-0.5 -0.985 15.7-160.7-120.0 123.9 9.4 40.6 24.1 12 19 A T E -A 5 0A 0 -7,-3.0 -7,-2.6 -2,-0.5 2,-0.4 -0.894 17.7-136.1-103.4 124.9 10.8 44.0 23.3 13 20 A W E -A 4 0A 34 -2,-0.5 48,-2.1 48,-0.4 2,-0.3 -0.670 26.3-175.4 -82.8 129.6 14.3 44.7 24.7 14 21 A V E -AB 3 60A 0 -11,-3.1 -11,-1.8 -2,-0.4 2,-0.4 -0.906 15.5-156.9-127.3 149.7 14.8 48.1 26.3 15 22 A Q E -AB 2 59A 48 44,-3.4 44,-2.5 -2,-0.3 2,-0.5 -0.998 7.7-160.4-127.0 129.8 17.8 49.9 27.7 16 23 A V E - B 0 58A 28 -15,-3.4 2,-0.5 -2,-0.4 42,-0.2 -0.946 2.8-168.0-115.8 123.8 17.4 52.7 30.3 17 24 A T E - B 0 57A 40 40,-2.9 40,-2.4 -2,-0.5 -2,-0.0 -0.950 12.5-156.6-111.6 120.8 20.2 55.2 30.9 18 25 A T - 0 0 98 -2,-0.5 38,-0.1 38,-0.2 2,-0.1 -0.747 19.3-108.9-101.8 147.3 19.8 57.3 34.0 19 26 A P - 0 0 22 0, 0.0 3,-0.5 0, 0.0 32,-0.2 -0.396 10.0-134.6 -76.5 151.4 21.4 60.7 34.5 20 27 A E S S+ 0 0 157 1,-0.3 2,-0.2 -2,-0.1 31,-0.1 0.772 105.2 22.2 -72.4 -28.8 24.1 61.5 36.9 21 28 A N S S- 0 0 107 29,-0.2 -1,-0.3 30,-0.1 0, 0.0 -0.668 88.0-147.3-141.4 80.9 22.4 64.6 38.2 22 29 A A - 0 0 71 -3,-0.5 33,-0.2 -2,-0.2 32,-0.1 -0.231 14.5-142.3 -56.0 128.5 18.6 64.3 37.4 23 30 A Q > - 0 0 86 31,-2.5 3,-1.6 30,-0.1 -1,-0.1 -0.713 23.9 -98.4 -96.9 146.1 17.1 67.8 36.6 24 31 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.378 105.1 2.4 -65.4 136.9 13.7 68.8 37.7 25 32 A H T 3 S+ 0 0 106 1,-0.2 2,-1.1 -2,-0.1 274,-0.1 0.580 85.5 143.2 64.3 9.9 11.0 68.4 35.0 26 33 A A < - 0 0 19 -3,-1.6 30,-0.4 28,-0.2 -1,-0.2 -0.714 43.7-148.9 -80.1 101.9 13.6 67.0 32.5 27 34 A L - 0 0 35 -2,-1.1 73,-0.1 264,-0.2 268,-0.1 -0.356 20.6 -89.1 -76.9 153.7 11.2 64.5 30.9 28 35 A P - 0 0 28 0, 0.0 73,-2.6 0, 0.0 2,-0.5 -0.219 33.4-140.3 -64.3 149.7 12.4 61.1 29.5 29 36 A L E -cd 57 101A 0 27,-2.6 29,-3.1 71,-0.2 2,-0.5 -0.950 7.4-156.4-111.6 125.8 13.6 60.8 25.9 30 37 A I E -cd 58 102A 0 71,-2.8 73,-2.7 -2,-0.5 2,-0.6 -0.927 11.1-151.4-103.1 119.9 12.7 57.7 23.9 31 38 A V E -cd 59 103A 1 27,-3.0 29,-0.7 -2,-0.5 2,-0.6 -0.856 5.6-158.5 -97.5 121.2 15.2 57.1 21.0 32 39 A L E - d 0 104A 0 71,-3.3 73,-2.2 -2,-0.6 76,-0.2 -0.885 10.4-144.3-102.4 121.0 13.7 55.3 17.9 33 40 A H - 0 0 1 -2,-0.6 4,-0.1 27,-0.4 7,-0.1 -0.321 12.2-138.3 -79.1 161.9 16.2 53.5 15.6 34 41 A G > + 0 0 0 5,-0.3 4,-1.7 73,-0.2 5,-0.4 0.078 62.2 80.1 -98.1-148.9 15.9 53.3 11.8 35 42 A G T 4 S- 0 0 17 1,-0.2 2,-0.2 2,-0.2 -1,-0.1 -0.772 96.0-106.1 118.4 -83.3 16.4 50.6 9.2 36 43 A P T 4 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 175,-0.2 0.711 112.5 20.0 -59.5 165.4 13.8 49.4 9.8 37 44 A G T 4 S+ 0 0 4 -3,-0.2 29,-0.3 -2,-0.2 -2,-0.2 0.600 87.1 119.1 79.6 18.8 15.4 46.4 11.6 38 45 A M < - 0 0 17 -4,-1.7 4,-0.3 1,-0.1 3,-0.2 0.600 64.8-141.0 -88.1 -17.2 18.7 48.1 12.3 39 46 A A - 0 0 0 -5,-0.4 3,-0.4 1,-0.2 -5,-0.3 0.108 29.8 -73.7 70.0 173.3 18.4 47.9 16.1 40 47 A H S > S+ 0 0 13 1,-0.2 3,-1.5 2,-0.1 4,-0.3 0.599 104.7 94.0 -73.5 -17.5 19.5 50.6 18.6 41 48 A N G > S+ 0 0 40 1,-0.3 3,-2.1 -3,-0.2 4,-0.3 0.894 82.0 50.5 -54.3 -49.0 23.3 50.0 18.3 42 49 A Y G 3 S+ 0 0 7 -3,-0.4 -1,-0.3 -4,-0.3 3,-0.2 0.724 117.0 41.5 -66.9 -18.5 24.0 52.7 15.7 43 50 A V G X S+ 0 0 0 -3,-1.5 3,-1.5 -4,-0.2 -1,-0.3 0.240 81.0 111.2-109.6 12.3 22.1 55.3 17.8 44 51 A A G X + 0 0 25 -3,-2.1 3,-2.0 -4,-0.3 -1,-0.1 0.820 66.7 66.7 -50.3 -39.1 23.5 54.2 21.2 45 52 A N G > S+ 0 0 35 -4,-0.3 3,-1.9 1,-0.3 -1,-0.2 0.677 80.3 76.3 -65.3 -18.5 25.6 57.4 21.5 46 53 A I G X S+ 0 0 0 -3,-1.5 3,-2.2 1,-0.3 -1,-0.3 0.728 75.8 80.2 -63.6 -18.4 22.5 59.6 21.9 47 54 A A G X S+ 0 0 16 -3,-2.0 3,-1.8 1,-0.3 4,-0.5 0.672 71.1 81.1 -60.3 -19.1 22.4 58.1 25.5 48 55 A A G <> S+ 0 0 34 -3,-1.9 4,-2.0 1,-0.3 -1,-0.3 0.708 75.7 74.1 -55.4 -23.7 25.0 60.8 26.2 49 56 A L H <> S+ 0 0 0 -3,-2.2 4,-2.3 1,-0.2 6,-0.5 0.751 82.0 68.9 -63.2 -25.9 22.1 63.1 26.5 50 57 A A H <>>S+ 0 0 0 -3,-1.8 4,-1.8 2,-0.2 5,-0.7 0.982 109.8 30.8 -59.1 -55.4 21.2 61.6 29.9 51 58 A D H 45S+ 0 0 84 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 120.0 55.0 -69.0 -39.4 24.2 63.0 31.7 52 59 A E H <5S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.807 125.0 19.8 -67.0 -29.9 24.4 66.1 29.5 53 60 A T H <5S- 0 0 25 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.429 102.0-114.6-123.8 -2.4 20.8 67.2 30.1 54 61 A G T <5S+ 0 0 3 -4,-1.8 -31,-2.5 -5,-0.3 2,-0.3 0.796 73.9 115.1 77.0 29.6 19.8 65.4 33.4 55 62 A R < - 0 0 2 -5,-0.7 2,-0.3 -6,-0.5 -1,-0.3 -0.824 69.4-100.0-126.0 164.1 17.0 63.2 31.9 56 63 A T - 0 0 43 -30,-0.4 -27,-2.6 -2,-0.3 2,-0.5 -0.664 33.0-155.3 -81.1 136.6 16.5 59.5 31.4 57 64 A V E -Bc 17 29A 0 -40,-2.4 -40,-2.9 -2,-0.3 2,-0.5 -0.979 5.8-162.1-117.4 130.5 17.1 58.2 27.9 58 65 A I E +Bc 16 30A 3 -29,-3.1 -27,-3.0 -2,-0.5 2,-0.3 -0.937 9.0 179.3-114.7 125.0 15.4 55.0 26.7 59 66 A H E +Bc 15 31A 0 -44,-2.5 -44,-3.4 -2,-0.5 2,-0.3 -0.910 7.7 175.3-110.7 152.4 16.6 52.9 23.7 60 67 A Y E -B 14 0A 1 -29,-0.7 2,-0.6 -2,-0.3 -27,-0.4 -0.987 32.4-118.4-150.7 160.1 14.9 49.8 22.5 61 68 A D - 0 0 0 -48,-2.1 -48,-0.4 -2,-0.3 2,-0.1 -0.859 38.1-123.3 -92.4 121.6 15.1 47.2 19.7 62 69 A Q > - 0 0 3 -2,-0.6 3,-1.6 1,-0.1 6,-0.3 -0.454 42.6 -84.1 -66.5 137.1 11.9 47.2 17.7 63 70 A V T 3 S+ 0 0 1 1,-0.3 7,-0.1 -2,-0.1 -1,-0.1 -0.080 116.3 35.5 -41.3 135.5 10.3 43.7 17.6 64 71 A G T 3 S+ 0 0 1 5,-2.8 142,-0.5 1,-0.2 2,-0.3 0.263 111.5 65.3 95.0 -10.5 11.7 41.5 14.9 65 72 A C S X S- 0 0 2 -3,-1.6 3,-2.0 4,-0.2 -1,-0.2 -0.907 91.1 -11.5-135.5 168.0 15.3 42.7 15.2 66 73 A G T 3 S- 0 0 14 -29,-0.3 -2,-0.1 -2,-0.3 -27,-0.0 -0.104 122.2 -8.1 56.2-130.6 18.3 42.9 17.5 67 74 A N T 3 S+ 0 0 91 -54,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.383 118.5 84.1 -82.8 0.7 17.7 41.9 21.1 68 75 A S S < S- 0 0 8 -3,-2.0 -56,-0.2 -6,-0.3 -6,-0.1 -0.349 97.6 -56.2 -96.9 178.7 13.9 41.6 20.8 69 76 A T - 0 0 38 -58,-2.3 -5,-2.8 -2,-0.1 2,-0.4 -0.341 49.2-142.7 -61.0 129.5 11.8 38.7 19.6 70 77 A H - 0 0 68 -7,-0.1 3,-0.1 -6,-0.1 -5,-0.1 -0.825 17.1-176.8 -91.9 135.1 12.6 37.5 16.1 71 78 A L > + 0 0 21 -2,-0.4 3,-1.6 -7,-0.2 -2,-0.0 -0.569 18.2 156.8-131.6 61.7 9.6 36.4 14.0 72 79 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.758 77.6 56.3 -62.4 -21.2 11.1 35.1 10.6 73 80 A D T 3 S+ 0 0 140 -3,-0.1 3,-0.1 2,-0.0 -2,-0.0 0.413 79.2 113.1 -90.6 -1.6 7.8 33.1 10.2 74 81 A A S < S- 0 0 22 -3,-1.6 5,-0.1 1,-0.1 -3,-0.0 -0.443 79.9-100.5 -67.0 145.5 5.4 36.1 10.4 75 82 A P > - 0 0 81 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.345 33.3-113.3 -60.8 149.6 3.6 36.8 7.2 76 83 A A G > S+ 0 0 58 1,-0.3 3,-1.3 2,-0.2 145,-0.1 0.840 115.9 62.7 -53.8 -33.0 5.2 39.8 5.3 77 84 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.505 83.8 78.5 -77.7 -1.3 2.1 41.9 5.9 78 85 A F G < S+ 0 0 60 -3,-2.2 2,-1.1 1,-0.1 -1,-0.3 0.803 76.3 81.7 -62.3 -34.6 2.7 41.7 9.7 79 86 A W < + 0 0 6 -3,-1.3 -1,-0.1 -4,-0.4 3,-0.0 -0.672 63.6 139.4 -89.8 97.0 5.4 44.4 9.4 80 87 A T > - 0 0 51 -2,-1.1 4,-1.6 1,-0.1 3,-0.5 -0.923 66.2-110.6-135.6 156.1 3.6 47.7 9.4 81 88 A P H > S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.913 118.8 59.1 -52.1 -40.7 4.0 51.2 10.8 82 89 A Q H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 100.1 55.4 -56.7 -42.7 0.9 50.5 13.0 83 90 A L H > S+ 0 0 18 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.933 110.6 44.7 -54.6 -48.3 2.7 47.5 14.6 84 91 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.799 110.2 54.3 -71.7 -29.0 5.6 49.7 15.7 85 92 A V H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.943 109.9 47.7 -62.0 -51.0 3.3 52.4 16.9 86 93 A D H X S+ 0 0 78 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.909 112.2 50.1 -57.3 -43.5 1.5 49.8 19.1 87 94 A E H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.925 105.7 56.5 -62.4 -46.3 4.9 48.6 20.3 88 95 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.921 110.0 44.2 -49.6 -49.8 6.1 52.1 21.2 89 96 A H H X S+ 0 0 54 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.844 109.5 56.5 -69.3 -33.0 3.1 52.6 23.5 90 97 A A H X S+ 0 0 27 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.895 107.7 49.1 -61.7 -39.3 3.6 49.2 25.0 91 98 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.947 111.8 48.0 -65.2 -49.7 7.2 50.2 25.9 92 99 A C H X>S+ 0 0 5 -4,-2.3 5,-2.6 1,-0.2 4,-0.5 0.905 113.0 49.1 -56.4 -42.1 6.0 53.5 27.5 93 100 A T H ><5S+ 0 0 114 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.955 110.0 48.7 -65.9 -49.8 3.3 51.7 29.5 94 101 A A H 3<5S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 115.1 46.5 -61.1 -32.4 5.5 48.9 30.8 95 102 A L H 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.476 110.9-121.1 -89.1 -1.8 8.1 51.6 31.9 96 103 A G T <<5 + 0 0 59 -3,-1.3 2,-0.7 -4,-0.5 -3,-0.2 0.849 55.0 157.3 68.4 34.4 5.5 53.9 33.5 97 104 A I < + 0 0 24 -5,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.840 13.2 169.9 -96.8 115.6 6.4 56.9 31.3 98 105 A E + 0 0 131 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.903 69.9 27.4 -89.3 -48.7 3.4 59.3 31.1 99 106 A R S S+ 0 0 146 24,-0.1 2,-0.3 25,-0.0 -1,-0.3 -0.975 78.5 160.4-122.1 131.8 5.0 62.3 29.3 100 107 A Y E - e 0 123A 9 22,-2.5 24,-3.3 -2,-0.4 25,-0.8 -0.981 37.0-127.4-151.0 153.9 7.9 61.9 27.0 101 108 A H E -de 29 125A 0 -73,-2.6 -71,-2.8 -2,-0.3 2,-0.4 -0.815 27.3-149.6 -97.9 146.3 10.0 63.3 24.2 102 109 A V E -de 30 126A 1 23,-2.4 25,-2.5 -2,-0.3 2,-0.4 -0.949 13.3-175.4-118.4 137.1 10.7 61.2 21.1 103 110 A L E -de 31 127A 0 -73,-2.7 -71,-3.3 -2,-0.4 2,-0.4 -0.989 9.8-176.8-127.4 123.5 13.7 61.3 18.8 104 111 A G E -de 32 128A 0 23,-2.6 25,-3.1 -2,-0.4 2,-0.5 -0.978 12.7-152.7-125.6 139.2 13.7 59.1 15.7 105 112 A Q E > - e 0 129A 1 -73,-2.2 3,-2.3 -2,-0.4 2,-0.3 -0.931 62.3 -41.6-116.3 123.0 16.5 58.6 13.2 106 113 A S T >> S+ 0 0 21 23,-2.7 4,-1.6 -2,-0.5 3,-0.9 -0.470 143.7 9.0 64.6-118.4 15.8 57.7 9.5 107 114 A W H 3> S+ 0 0 4 -2,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.863 129.7 64.3 -52.0 -35.3 13.0 55.1 9.7 108 115 A G H <> S+ 0 0 0 -3,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.864 102.8 46.4 -58.7 -35.3 12.9 56.0 13.4 109 116 A G H <> S+ 0 0 0 -3,-0.9 4,-2.0 20,-0.3 -1,-0.2 0.834 109.7 53.1 -75.0 -33.1 11.8 59.6 12.4 110 117 A M H X S+ 0 0 8 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.920 112.7 45.0 -59.3 -47.7 9.3 58.1 9.9 111 118 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.906 108.7 57.1 -66.7 -42.0 7.9 56.1 12.9 112 119 A G H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.907 107.7 48.0 -50.6 -45.2 8.1 59.2 15.1 113 120 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.897 108.9 52.7 -65.5 -40.9 5.8 60.9 12.6 114 121 A E H X S+ 0 0 6 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.903 111.6 47.3 -61.5 -40.8 3.4 58.0 12.5 115 122 A I H >< S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.959 114.4 47.0 -62.2 -48.7 3.2 58.2 16.3 116 123 A A H >< S+ 0 0 1 -4,-2.8 3,-2.1 1,-0.2 119,-0.5 0.817 101.5 61.1 -65.5 -37.4 2.7 61.9 16.3 117 124 A V H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.727 98.3 61.7 -67.3 -18.2 -0.0 62.1 13.6 118 125 A R T << S- 0 0 90 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.391 106.4-128.6 -85.6 -0.9 -2.2 59.9 15.9 119 126 A Q < - 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0 0 2 110,-0.4 2,-0.2 -3,-0.2 -1,-0.2 -0.979 47.7-133.0-134.3 142.5 14.0 61.3 7.5 132 139 A P - 0 0 2 0, 0.0 121,-0.2 0, 0.0 3,-0.1 -0.611 12.6-140.6 -83.3 156.8 11.9 61.7 4.3 133 140 A A S S+ 0 0 0 119,-2.4 94,-2.2 -2,-0.2 95,-0.8 0.542 87.5 15.5 -92.6 -12.7 8.2 62.4 4.5 134 141 A S B > -H 226 0B 7 118,-0.3 4,-1.9 92,-0.2 92,-0.2 -0.980 66.8-128.4-152.5 153.0 7.5 60.0 1.6 135 142 A M H > S+ 0 0 7 90,-2.5 4,-2.4 -2,-0.3 5,-0.2 0.831 110.6 61.7 -66.7 -30.7 9.3 57.2 -0.3 136 143 A R H > S+ 0 0 210 89,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.937 108.1 41.8 -59.3 -45.0 8.5 59.0 -3.5 137 144 A L H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.880 110.2 58.0 -69.1 -41.2 10.5 62.0 -2.4 138 145 A W H X S+ 0 0 31 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.899 109.1 45.7 -52.6 -43.3 13.3 59.7 -1.0 139 146 A S H X S+ 0 0 36 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.867 110.3 52.1 -70.3 -39.5 13.7 58.2 -4.5 140 147 A E H X S+ 0 0 94 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.938 108.3 53.2 -59.9 -45.3 13.7 61.6 -6.2 141 148 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.840 102.6 57.1 -56.1 -39.2 16.4 62.6 -3.8 142 149 A A H X S+ 0 0 8 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.926 108.7 46.7 -63.5 -43.7 18.6 59.6 -4.7 143 150 A G H X S+ 0 0 39 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.890 111.4 51.5 -61.2 -41.1 18.5 60.6 -8.4 144 151 A D H X S+ 0 0 49 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.926 111.1 47.1 -62.3 -45.6 19.3 64.3 -7.5 145 152 A L H >X S+ 0 0 6 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.882 109.7 53.3 -66.9 -37.1 22.3 63.2 -5.4 146 153 A R H >< S+ 0 0 17 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.893 104.9 55.6 -64.0 -36.1 23.6 60.9 -8.1 147 154 A A H 3< S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.727 106.4 52.8 -63.2 -22.5 23.4 63.9 -10.5 148 155 A Q H << S+ 0 0 138 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.536 89.8 100.0 -91.5 -10.7 25.7 65.7 -8.1 149 156 A L S << S- 0 0 7 -3,-1.0 -3,-0.0 -4,-0.5 29,-0.0 -0.320 92.0 -81.4 -69.8 161.9 28.4 63.0 -8.0 150 157 A P >> - 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