==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-00 1FJQ . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.ENGLISH,C.R.GROOM,R.E.HUBBARD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 1 A I 0 0 86 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 148.0 8.3 52.4 0.0 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.865 360.0 98.5 -96.4 125.4 6.3 55.5 0.6 3 3 A G - 0 0 39 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.947 68.7 -46.2-172.7-158.6 6.5 56.8 4.2 4 4 A T E -A 24 0A 94 20,-2.4 20,-3.1 -2,-0.3 2,-0.2 -0.854 49.0-124.1-103.0 127.8 7.9 59.2 6.7 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.479 45.2 150.4 -71.8 135.5 11.7 59.9 6.9 6 6 A T E -A 22 0A 53 16,-2.6 16,-2.4 -2,-0.2 2,-0.4 -0.834 40.7-106.4-151.7-176.1 13.2 59.2 10.4 7 7 A V E -A 21 0A 78 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.987 28.5-177.0-126.8 129.9 16.4 58.1 12.2 8 8 A G E -A 20 0A 4 12,-2.9 12,-2.1 -2,-0.4 2,-0.3 -0.508 16.6-131.7-116.2 177.5 17.0 54.8 13.9 9 9 A V E +Ab 19 61A 29 51,-1.6 53,-3.4 10,-0.2 2,-0.3 -0.976 32.5 142.7-132.9 145.7 20.0 53.4 15.9 10 10 A G E -Ab 18 62A 0 8,-2.4 8,-2.5 -2,-0.3 2,-0.4 -0.929 41.6 -97.3-162.3-170.8 21.9 50.2 15.8 11 11 A R E -A 17 0A 116 51,-2.1 60,-0.2 -2,-0.3 6,-0.2 -0.985 31.2-141.5-125.1 134.3 25.2 48.4 16.0 12 12 A G > - 0 0 5 4,-2.6 3,-1.9 -2,-0.4 56,-0.2 -0.073 39.6 -80.9 -82.6-172.3 27.5 47.5 13.2 13 13 A V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.869 128.7 48.9 -58.3 -39.2 29.7 44.4 12.5 14 14 A L T 3 S- 0 0 82 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.316 121.7-103.0 -88.5 8.2 32.5 45.6 14.8 15 15 A G S < S+ 0 0 47 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.490 74.1 140.3 89.3 1.9 30.2 46.5 17.7 16 16 A D - 0 0 54 1,-0.1 -4,-2.6 -5,-0.0 2,-0.3 -0.614 49.9-125.2 -81.4 143.1 30.1 50.3 17.2 17 17 A Q E +A 11 0A 132 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.642 36.3 167.6 -88.4 136.1 26.8 52.2 17.6 18 18 A K E -A 10 0A 13 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.4 -0.987 33.8-120.1-147.7 154.8 25.6 54.4 14.8 19 19 A N E -A 9 0A 107 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.793 31.6-164.6 -91.6 142.8 22.5 56.3 13.7 20 20 A I E -A 8 0A 3 -12,-2.1 -12,-2.9 -2,-0.4 2,-0.5 -0.974 23.1-114.6-132.7 145.3 20.9 55.4 10.4 21 21 A N E +A 7 0A 46 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.646 45.9 168.4 -80.3 123.2 18.4 57.0 8.1 22 22 A T E -A 6 0A 2 -16,-2.4 -16,-2.6 -2,-0.5 2,-0.4 -0.709 29.4-129.1-129.4 174.6 15.2 55.0 7.9 23 23 A T E -AC 5 29A 0 6,-1.7 6,-3.1 -18,-0.2 2,-0.5 -1.000 16.5-144.1-130.3 134.3 11.6 55.3 6.6 24 24 A Y E +AC 4 28A 102 -20,-3.1 -20,-2.4 -2,-0.4 4,-0.2 -0.871 38.6 138.2-106.2 132.3 8.5 54.5 8.6 25 25 A S S S- 0 0 45 2,-2.8 2,-2.5 -2,-0.5 -2,-0.0 -0.642 93.8 -48.1-162.7 81.7 5.4 53.0 7.0 26 26 A T S S+ 0 0 118 -2,-0.1 2,-0.2 32,-0.0 -2,-0.0 -0.387 140.3 35.4 76.5 -60.5 3.9 50.3 9.4 27 27 A Y S S- 0 0 115 -2,-2.5 -2,-2.8 -4,-0.0 2,-0.5 -0.624 95.5-109.1-106.4 170.0 7.4 48.9 9.8 28 28 A Y E -CD 24 57A 58 29,-3.2 29,-2.8 -4,-0.2 2,-0.3 -0.917 41.1-161.2-101.9 122.5 10.7 50.9 9.8 29 29 A Y E -CD 23 56A 39 -6,-3.1 2,-2.1 -2,-0.5 -6,-1.7 -0.836 28.6-114.8-108.8 153.8 12.6 50.2 6.6 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.3 -2,-0.3 2,-0.4 -0.508 71.0 128.1 -84.0 83.9 16.3 50.6 5.7 31 31 A Q E -E 40 0B 10 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.967 44.5-158.9-143.8 112.7 15.5 53.3 3.1 32 32 A D E > +E 39 0B 2 7,-2.5 7,-1.4 -2,-0.4 3,-0.5 -0.893 11.3 179.2-101.5 103.9 17.4 56.6 3.3 33 33 A N T 3 + 0 0 61 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.416 68.2 78.0 -85.3 4.7 15.5 59.3 1.4 34 34 A T T 3 S+ 0 0 86 1,-0.1 2,-0.6 5,-0.1 -1,-0.2 0.555 84.2 65.1 -89.8 -7.7 18.1 62.1 2.2 35 35 A R S X S- 0 0 47 -3,-0.5 3,-2.2 4,-0.1 -1,-0.1 -0.946 111.6 -66.0-123.9 107.7 20.6 61.0 -0.4 36 36 A G T 3 S- 0 0 26 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.129 111.5 -18.3 57.6-135.1 19.7 61.3 -4.1 37 37 A D T 3 S- 0 0 111 60,-1.8 -1,-0.3 1,-0.3 62,-0.2 0.272 120.4 -79.2 -87.8 7.9 16.9 59.0 -5.2 38 38 A G < - 0 0 2 -3,-2.2 62,-2.2 60,-0.2 2,-0.4 -0.065 27.9-110.4 119.3 155.5 17.5 56.9 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.5 60,-0.2 2,-0.4 -0.991 36.5-171.4-122.4 122.8 19.7 54.2 -0.5 40 40 A F E -Ef 31 101B 22 60,-2.8 62,-2.0 -2,-0.4 2,-0.4 -0.988 8.9-161.8-122.7 130.5 17.9 50.9 -0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.6 -2,-0.4 -11,-0.3 -0.962 11.6-166.8-120.0 130.5 19.2 47.8 1.9 42 42 A Y E -Gf 54 103B 26 60,-2.8 62,-2.5 -2,-0.4 2,-0.6 -0.796 20.5-127.7-117.2 156.8 17.7 44.3 1.4 43 43 A D E -Gf 53 104B 23 10,-2.9 10,-2.1 -2,-0.3 62,-0.2 -0.915 14.4-172.7-101.5 119.4 17.8 41.0 3.2 44 44 A A > - 0 0 3 60,-2.8 3,-2.1 -2,-0.6 5,-0.3 0.529 29.2-141.1 -94.4 2.0 18.9 38.1 0.9 45 45 A K T 3 - 0 0 106 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.824 62.6 -58.7 52.1 37.9 18.1 35.6 3.7 46 46 A Y T 3 S+ 0 0 110 59,-2.5 -1,-0.3 1,-0.3 60,-0.2 0.574 114.3 112.0 68.8 15.5 21.1 33.3 3.0 47 47 A R S < S- 0 0 175 -3,-2.1 60,-2.1 58,-0.3 -1,-0.3 -0.480 70.7-130.2-109.9 174.1 19.8 32.7 -0.6 48 48 A T S S+ 0 0 83 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.307 71.5 110.9-110.0 9.1 21.3 33.8 -3.9 49 49 A T S S- 0 0 95 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.689 71.3-102.1 -80.2 134.2 18.1 35.3 -5.4 50 50 A L S S- 0 0 60 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.873 80.3 -1.4-122.3 148.6 18.5 39.1 -5.6 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.995 78.5-167.3 -86.6 -14.9 17.7 41.5 -4.3 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.764 47.3 -26.4 102.7-152.0 15.7 39.8 -1.6 53 53 A S E -G 43 0B 51 -10,-2.1 -10,-2.9 -2,-0.3 -8,-0.1 -0.837 65.7-105.4-106.9 137.2 13.3 41.8 0.6 54 54 A L E -G 42 0B 33 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.388 53.6 -98.6 -57.7 136.9 13.6 45.5 1.6 55 55 A W - 0 0 11 -14,-2.6 -25,-2.2 -25,-0.3 2,-0.4 -0.419 48.5-174.3 -70.3 119.7 14.8 45.4 5.2 56 56 A A E -D 29 0A 45 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.926 6.4-177.1-114.8 143.6 11.9 45.9 7.6 57 57 A D E -D 28 0A 23 -29,-2.8 -29,-3.2 -2,-0.4 3,-0.1 -0.994 24.4-140.5-141.0 142.6 12.1 46.3 11.4 58 58 A A S S+ 0 0 75 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.769 95.1 20.9 -77.2 -27.5 9.4 46.7 14.0 59 59 A D S S- 0 0 89 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.348 94.5-114.1-129.4 11.1 11.0 49.2 16.3 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.670 81.3 114.0 69.5 20.5 13.7 51.2 14.6 61 61 A Q E -b 9 0A 97 -53,-0.2 2,-0.5 -51,-0.0 -2,-0.3 -0.982 47.0-167.3-119.2 123.5 16.5 49.8 16.8 62 62 A F E +b 10 0A 0 -53,-3.4 -51,-2.1 -2,-0.4 9,-0.1 -0.531 42.0 123.6-119.3 70.1 19.0 47.5 15.1 63 63 A F + 0 0 64 -2,-0.5 -1,-0.2 -53,-0.2 2,-0.2 0.372 38.1 110.1-107.3 5.5 21.0 45.7 17.8 64 64 A A S >> S- 0 0 52 -3,-0.2 3,-1.3 1,-0.1 4,-0.9 -0.484 76.0-122.5 -75.9 149.1 20.4 42.1 16.9 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.913 114.6 58.1 -62.9 -32.2 23.5 40.2 15.5 66 66 A Y G 34 S+ 0 0 70 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.751 103.6 55.4 -63.5 -25.9 21.5 39.4 12.3 67 67 A D G X> S+ 0 0 17 -3,-1.3 4,-2.2 1,-0.2 3,-0.7 0.749 84.4 85.9 -78.4 -21.8 21.1 43.2 11.9 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.845 113.3 50.8 -68.6 -31.9 25.7 43.7 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.2 0.900 106.8 54.3 -71.9 -39.5 22.6 45.6 7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 -60,-0.2 5,-0.2 0.942 114.2 40.6 -55.7 -49.7 23.5 48.5 9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.889 112.6 53.3 -73.3 -34.5 27.0 48.9 8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.916 114.8 43.2 -62.4 -41.3 26.0 48.3 4.4 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.949 118.2 43.0 -69.1 -44.7 23.4 51.1 4.7 75 75 A Y H X S+ 0 0 91 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.917 114.3 48.6 -70.9 -42.6 25.6 53.5 6.6 76 76 A Y H X S+ 0 0 5 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.810 106.3 56.7 -75.0 -25.9 28.7 53.0 4.6 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.903 108.4 49.4 -65.3 -37.5 26.9 53.4 1.3 78 78 A G H X S+ 0 0 2 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.919 109.8 50.3 -64.8 -43.7 25.7 56.9 2.7 79 79 A V H X S+ 0 0 18 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.907 111.3 48.7 -59.4 -43.3 29.3 57.8 3.6 80 80 A T H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.908 110.0 51.5 -64.7 -43.2 30.5 56.9 0.1 81 81 A Y H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 11,-0.3 0.921 110.4 50.2 -56.0 -46.4 27.7 58.9 -1.5 82 82 A D H X S+ 0 0 37 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.911 107.7 53.1 -62.0 -41.7 28.7 61.9 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 5,-0.7 0.962 111.8 44.4 -59.2 -51.2 32.4 61.6 -0.3 84 84 A Y H X5S+ 0 0 8 -4,-2.2 6,-2.3 1,-0.2 4,-1.1 0.889 118.5 43.9 -65.1 -34.9 31.7 61.7 -4.0 85 85 A K H X5S+ 0 0 95 -4,-2.4 4,-0.9 4,-0.3 -2,-0.2 0.939 121.3 36.8 -72.7 -47.8 29.2 64.5 -3.7 86 86 A N H <5S+ 0 0 98 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.851 128.0 32.2 -75.2 -37.0 31.2 66.7 -1.3 87 87 A V H <5S+ 0 0 63 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.842 135.6 18.6 -88.9 -42.7 34.7 66.1 -2.7 88 88 A H H < S- 0 0 8 -2,-0.9 3,-0.6 -11,-0.3 7,-0.1 -0.016 91.4 -56.2 62.8-173.5 25.7 59.0 -7.1 93 93 A Y T 3 S+ 0 0 28 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.821 137.6 43.2 -75.4 -26.2 27.4 56.5 -9.4 94 94 A D T 3 S- 0 0 50 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.415 108.5-118.6 -92.2 -11.5 25.7 57.7 -12.6 95 95 A G S < S+ 0 0 36 -3,-0.6 -4,-0.2 -4,-0.5 -3,-0.2 0.546 101.3 82.8 85.7 7.3 26.0 61.4 -11.8 96 96 A N S S- 0 0 127 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.030 113.1 -94.9-129.4 27.5 22.2 61.7 -11.9 97 97 A N - 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0 0 70 -4,-0.4 15,-2.0 15,-0.3 2,-1.1 -0.638 24.4-157.0 -88.2 116.7 30.3 33.4 1.4 111 111 A N + 0 0 54 -2,-0.7 2,-0.3 13,-0.1 -1,-0.1 -0.330 61.1 57.6 -87.4 52.4 33.7 35.0 1.5 112 112 A N - 0 0 83 -2,-1.1 11,-2.1 2,-0.0 2,-0.3 -0.984 54.3-150.7-166.2 172.4 33.2 38.0 -0.9 113 113 A A E +I 122 0B 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.960 24.9 171.9-147.5 145.7 31.3 41.1 -1.8 114 114 A F E -I 121 0B 49 7,-2.4 7,-2.1 -2,-0.3 2,-0.5 -0.997 38.9-120.0-159.0 158.4 30.7 42.6 -5.3 115 115 A W E -I 120 0B 23 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.855 26.7-165.3 -91.6 126.8 29.0 45.1 -7.5 116 116 A N - 0 0 72 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.263 52.1 -91.5-101.9 10.7 27.0 43.1 -10.0 117 117 A G S S+ 0 0 36 2,-0.2 3,-0.1 1,-0.0 -2,-0.1 0.236 123.0 40.2 97.8 -15.9 26.3 45.9 -12.5 118 118 A S S S- 0 0 87 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.539 121.5 -3.4-133.2 -26.8 23.0 46.8 -10.8 119 119 A E S S- 0 0 13 -19,-0.1 -3,-2.5 -5,-0.0 -1,-0.4 -0.968 71.1 -89.7-160.1 172.0 23.5 46.6 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.8 -17,-2.2 -2,-0.3 2,-0.4 -0.673 34.0-166.8 -93.2 146.3 25.9 45.8 -4.2 121 121 A V E -hI 103 114B 0 -7,-2.1 -7,-2.4 -2,-0.3 2,-0.4 -0.998 2.8-170.5-133.4 127.7 26.0 42.2 -2.8 122 122 A Y E - 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0 0 26 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.703 60.6 -95.1 -99.6 153.8 51.6 41.1 -5.4 214 214 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.306 30.3-175.7 -64.7 142.5 53.9 42.8 -7.9 215 215 A D S S+ 0 0 16 1,-0.1 2,-0.3 -7,-0.1 3,-0.1 0.097 72.2 45.9-123.7 19.9 55.2 46.3 -7.1 216 216 A H S > S- 0 0 38 1,-0.1 3,-1.9 98,-0.1 98,-0.2 -0.974 81.6-120.7-160.4 142.8 57.0 46.8 -10.5 217 217 A Y G > S+ 0 0 58 96,-2.9 3,-1.6 -2,-0.3 97,-0.1 0.815 110.8 64.9 -58.6 -31.2 55.9 46.2 -14.1 218 218 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 95,-0.2 96,-0.1 0.729 103.0 48.8 -66.2 -19.4 58.8 43.8 -14.6 219 219 A K G < S+ 0 0 120 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.172 82.1 137.4-102.4 10.4 57.1 41.5 -12.1 220 220 A R < - 0 0 96 -3,-1.6 2,-0.3 1,-0.1 9,-0.1 -0.305 59.1-112.0 -62.0 141.8 53.6 41.5 -13.6 221 221 A Y - 0 0 80 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.617 31.1-177.6 -73.4 130.7 51.6 38.3 -13.8 222 222 A T + 0 0 118 -2,-0.3 -1,-0.1 -63,-0.0 -2,-0.0 0.427 46.5 95.1-112.9 2.7 51.1 37.2 -17.4 223 223 A G S S- 0 0 29 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.124 81.0-104.1 -79.0-158.0 48.9 34.1 -17.1 224 224 A T S >> S+ 0 0 128 4,-0.1 4,-0.6 3,-0.1 3,-0.5 0.512 75.9 112.4-108.2 -11.1 45.1 33.6 -17.3 225 225 A Q H >> S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 3,-0.8 -0.317 81.3 18.1 -64.1 155.7 44.1 33.1 -13.7 226 226 A D H 3> S- 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.894 137.9 -58.0 51.5 47.0 42.0 35.8 -12.1 227 227 A N H <4 S- 0 0 89 -3,-0.5 -68,-2.2 1,-0.2 -1,-0.2 0.845 113.8 -37.5 51.9 39.0 40.9 37.3 -15.4 228 228 A G H << S- 0 0 8 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.799 115.4 -55.8 87.1 24.5 44.6 37.9 -16.4 229 229 A G H >X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.1 3,-0.9 0.759 79.1 157.8 84.2 31.8 45.7 38.9 -12.9 230 230 A V T 3< S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.3 -64,-0.1 0.861 80.3 38.9 -59.9 -32.8 43.2 41.8 -12.2 231 231 A H T 34 S+ 0 0 61 -5,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.540 122.3 44.8 -89.9 -10.7 43.6 41.5 -8.4 232 232 A I T X4 S+ 0 0 46 -3,-0.9 3,-2.0 -6,-0.2 4,-0.2 0.869 111.7 45.5 -96.5 -54.1 47.4 40.8 -8.7 233 233 A N T >X S+ 0 0 8 -4,-2.6 3,-1.4 1,-0.3 4,-0.7 0.671 93.2 80.3 -73.0 -8.6 48.6 43.4 -11.2 234 234 A S H 3> S+ 0 0 0 -4,-0.5 4,-2.8 -5,-0.4 -1,-0.3 0.780 77.5 76.1 -64.0 -22.5 46.6 46.2 -9.5 235 235 A G H <> S+ 0 0 2 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.829 87.8 57.2 -56.4 -35.2 49.5 46.2 -7.0 236 236 A I H <> S+ 0 0 0 -3,-1.4 4,-1.6 -4,-0.2 -1,-0.2 0.927 113.1 38.2 -65.9 -42.5 51.7 48.0 -9.6 237 237 A I H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.2 -2,-0.2 0.881 113.1 56.5 -76.4 -34.1 49.2 50.9 -9.9 238 238 A N H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.914 107.5 49.4 -64.0 -39.3 48.4 50.9 -6.2 239 239 A K H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.925 109.7 51.8 -67.1 -38.3 52.1 51.4 -5.4 240 240 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.919 110.3 48.6 -60.1 -44.3 52.3 54.3 -7.9 241 241 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.927 110.0 51.1 -64.9 -41.8 49.3 55.9 -6.2 242 242 A Y H X>S+ 0 0 57 -4,-2.4 4,-3.2 -37,-0.3 5,-0.5 0.906 111.1 48.9 -59.5 -41.9 50.8 55.5 -2.8 243 243 A L H X5S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.917 108.3 53.3 -67.9 -38.3 54.0 57.1 -4.0 244 244 A I H <5S+ 0 0 0 -4,-2.5 14,-2.7 -5,-0.2 15,-0.4 0.949 119.0 35.6 -60.9 -41.4 52.2 60.0 -5.6 245 245 A S H <5S+ 0 0 3 -4,-2.1 14,-2.2 12,-0.2 -2,-0.2 0.948 135.4 18.2 -76.9 -49.8 50.4 60.7 -2.3 246 246 A Q H <5S- 0 0 91 -4,-3.2 11,-0.4 -5,-0.2 -3,-0.2 0.664 94.0-141.4-101.0 -21.5 53.0 59.9 0.3 247 247 A G << + 0 0 11 -4,-1.9 2,-0.3 -5,-0.5 9,-0.2 0.083 32.0 148.6 83.7-178.1 56.4 59.9 -1.6 248 248 A G E -L 255 0E 34 7,-2.0 7,-2.6 -5,-0.1 2,-0.5 -0.851 49.0 -83.2 139.1 175.4 59.3 57.6 -1.1 249 249 A T E -L 254 0E 93 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.952 42.4-179.5-114.7 126.2 62.2 56.0 -3.0 250 250 A H E > -L 253 0E 17 3,-2.6 3,-2.2 -2,-0.5 -2,-0.0 -0.990 69.5 -14.0-136.2 120.9 61.3 52.8 -4.8 251 251 A Y T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.887 131.0 -53.1 51.3 41.9 63.8 50.7 -6.9 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.486 113.4 118.2 80.2 1.7 66.2 53.7 -6.6 253 253 A V E < -L 250 0E 39 -3,-2.2 -3,-2.6 59,-0.1 2,-0.4 -0.890 54.2-145.2-104.4 125.1 63.7 56.3 -8.0 254 254 A S E -L 249 0E 68 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.734 14.5-171.8 -95.9 134.8 62.7 59.1 -5.6 255 255 A V E -L 248 0E 9 -7,-2.6 -7,-2.0 -2,-0.4 2,-0.6 -0.980 18.1-140.5-125.2 126.7 59.2 60.7 -5.5 256 256 A V - 0 0 88 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.788 29.9-124.8 -83.0 123.2 58.1 63.8 -3.6 257 257 A G - 0 0 29 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.353 22.0-170.7 -70.0 141.5 54.6 63.2 -2.2 258 258 A I - 0 0 27 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.396 45.8-107.4-112.1 -0.8 51.8 65.7 -3.0 259 259 A G > - 0 0 27 -14,-2.2 4,-1.8 -15,-0.4 -1,-0.2 0.122 28.5 -78.6 97.6 165.1 49.1 64.4 -0.6 260 260 A R H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.785 119.3 58.1 -74.0 -40.0 45.8 62.5 -0.7 261 261 A D H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 111.0 41.8 -59.1 -47.4 43.6 65.3 -1.8 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.871 111.2 57.2 -70.5 -32.6 45.6 66.0 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.949 109.3 46.6 -57.6 -47.3 45.9 62.2 -5.6 264 264 A G H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.886 112.4 49.0 -61.6 -43.4 42.1 62.0 -5.5 265 265 A K H X S+ 0 0 108 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.916 112.6 48.1 -66.1 -42.0 41.7 65.0 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.950 116.1 41.6 -62.9 -51.0 44.2 63.7 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.833 112.5 53.4 -70.2 -31.1 42.7 60.2 -10.6 268 268 A Y H X S+ 0 0 33 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.937 111.9 46.2 -68.6 -39.4 39.1 61.2 -10.6 269 269 A R H X>S+ 0 0 77 -4,-1.9 4,-2.1 -5,-0.2 5,-0.6 0.912 112.4 50.5 -65.6 -43.0 39.8 63.5 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.0 5,-2.1 -5,-0.2 4,-1.8 0.949 113.3 46.2 -61.0 -44.7 41.7 60.8 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.5 -118,-0.3 1,-0.2 -2,-0.2 0.888 119.7 37.8 -66.1 -40.0 38.9 58.3 -14.8 272 272 A T H <5S+ 0 0 43 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.649 129.4 25.6 -91.4 -15.5 36.1 60.6 -15.9 273 273 A Q H <5S+ 0 0 116 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.700 128.7 21.3-120.4 -27.9 37.7 62.5 -18.7 274 274 A Y T < - 0 0 63 -2,-0.0 3,-1.7 -122,-0.0 -122,-0.1 -0.866 40.2 -90.4-127.6 172.4 38.4 54.4 -22.1 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.732 123.4 37.2 -57.5 -33.1 37.3 50.7 -21.8 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -117,-0.0 -118,-0.1 0.084 80.4 144.7-112.3 24.4 40.5 49.2 -23.2 279 279 A S < - 0 0 4 -3,-1.7 -115,-0.2 -126,-0.1 2,-0.1 -0.340 33.5-154.3 -61.8 141.3 43.1 51.6 -21.7 280 280 A N > - 0 0 63 -120,-0.1 4,-2.1 -119,-0.1 5,-0.1 -0.430 35.4 -87.8-107.5-175.4 46.4 49.9 -20.7 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.851 126.9 54.0 -64.4 -39.4 48.9 50.9 -18.0 282 282 A S H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 108.8 48.9 -58.4 -40.7 50.8 53.2 -20.4 283 283 A Q H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.905 107.5 55.8 -70.0 -31.0 47.6 55.0 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.929 105.6 51.6 -65.4 -41.8 46.8 55.4 -17.6 285 285 A R H X S+ 0 0 36 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.950 111.9 46.9 -57.7 -48.2 50.2 57.1 -17.1 286 286 A A H X S+ 0 0 61 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.909 112.2 50.0 -59.4 -43.8 49.4 59.5 -20.0 287 287 A A H X S+ 0 0 8 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.887 112.0 47.2 -63.8 -39.7 45.9 60.2 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.905 112.6 49.1 -71.5 -38.1 47.3 61.0 -15.1 289 289 A V H X S+ 0 0 26 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.945 113.5 46.3 -63.1 -46.5 50.0 63.2 -16.5 290 290 A Q H X S+ 0 0 83 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.912 111.7 52.3 -62.8 -40.6 47.5 65.1 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.906 111.1 45.8 -62.1 -44.6 45.1 65.4 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.5 0.869 111.2 54.1 -66.8 -36.9 47.8 66.8 -13.4 293 293 A T H X S+ 0 0 39 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.943 108.5 49.3 -60.3 -46.8 48.7 69.2 -16.3 294 294 A D H < S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 120.3 35.0 -55.5 -44.8 45.1 70.4 -16.5 295 295 A L H < S+ 0 0 69 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.786 134.7 16.7 -84.0 -35.6 44.8 71.1 -12.8 296 296 A Y H < S- 0 0 61 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.468 107.5 -94.8-121.2 -9.9 48.3 72.3 -11.8 297 297 A G >< - 0 0 32 -4,-2.1 3,-1.8 -5,-0.5 6,-0.4 0.192 34.5 -92.3 101.8 142.7 50.3 73.3 -14.9 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.682 124.9 47.3 -65.7 -17.2 52.8 71.4 -17.1 299 299 A T T 3 S+ 0 0 137 -6,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.156 88.5 122.9-113.5 35.4 55.7 72.6 -15.0 300 300 A S S <> S- 0 0 19 -3,-1.8 4,-1.9 1,-0.1 3,-0.2 -0.426 73.2-121.4 -89.6 160.3 54.2 71.9 -11.6 301 301 A Q H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 113.6 63.3 -63.6 -33.2 55.7 69.7 -8.8 302 302 A E H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 103.6 44.1 -59.4 -47.0 52.4 67.7 -9.2 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.910 113.0 53.6 -62.5 -41.6 53.1 66.7 -12.8 304 304 A A H X S+ 0 0 40 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.912 108.0 49.5 -59.3 -45.3 56.7 65.9 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.865 108.4 52.7 -65.6 -38.4 55.6 63.6 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 5,-0.2 0.948 111.2 46.8 -62.1 -42.3 53.2 61.7 -11.2 307 307 A K H X S+ 0 0 89 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.935 112.5 49.4 -63.0 -44.4 55.9 61.0 -13.8 308 308 A Q H X S+ 0 0 76 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.868 108.8 53.2 -64.2 -40.4 58.4 59.9 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.894 110.6 45.2 -63.5 -46.7 55.9 57.6 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 4,-0.5 0.891 112.6 53.1 -64.3 -33.8 55.1 55.7 -12.8 311 311 A D H ><5S+ 0 0 49 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.925 104.0 56.4 -62.3 -41.4 58.9 55.6 -13.5 312 312 A A H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 111.2 42.7 -60.7 -34.7 59.5 54.0 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.2 -96,-2.9 -3,-0.3 -1,-0.3 0.363 118.8-110.7 -99.4 11.7 57.1 51.2 -10.9 314 314 A G T < 5 + 0 0 12 -3,-1.2 2,-0.7 -4,-0.5 -3,-0.2 0.705 69.1 140.5 75.3 25.5 58.4 50.8 -14.5 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 1,-0.1 -2,-0.1 -0.882 360.0 360.0-103.3 114.2 55.4 52.1 -16.4 316 316 A K 0 0 153 -2,-0.7 -1,-0.1 -5,-0.1 -5,-0.1 0.483 360.0 360.0-109.5 360.0 56.3 54.2 -19.4