==== 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 HYDROLASE 08-FEB-05 1YSJ . COMPND 2 MOLECULE: PROTEIN YXEP; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.MINASOV,L.SHUVALOVA,J.S.BRUNZELLE,F.R.COLLART,W.F.ANDERSON . 715 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 14.8 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 . 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 . 52 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 2 0 2 0 1 2 0 2 1 0 1 3 0 0 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 3 1 0 3 1 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 . 2 4 3 0 0 2 1 2 1 2 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 2 0 0 0 0 3 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 A 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.9 49.8 18.5 57.6 2 3 A D > + 0 0 127 3,-0.1 4,-1.7 2,-0.0 5,-0.1 0.813 360.0 19.7-103.2 -69.2 46.6 20.5 58.0 3 4 A K H > S+ 0 0 164 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.844 127.2 53.5 -73.5 -34.8 46.4 23.1 55.2 4 5 A A H > S+ 0 0 78 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.887 111.7 44.7 -65.9 -41.6 48.9 21.2 53.0 5 6 A F H > S+ 0 0 32 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.862 113.5 50.6 -70.5 -38.0 46.8 18.0 53.3 6 7 A H H X S+ 0 0 28 -4,-1.7 4,-2.6 2,-0.2 3,-0.5 0.937 109.3 49.3 -66.3 -48.8 43.5 19.8 52.7 7 8 A T H X S+ 0 0 67 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.850 108.3 56.2 -55.6 -37.5 44.8 21.6 49.6 8 9 A R H X S+ 0 0 75 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.829 109.2 45.8 -64.4 -34.5 46.0 18.2 48.4 9 10 A L H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.5 -2,-0.2 0.891 112.9 49.6 -73.1 -43.3 42.4 16.9 48.8 10 11 A I H X S+ 0 0 27 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.932 109.6 51.6 -60.2 -48.1 41.0 20.0 47.0 11 12 A N H X S+ 0 0 95 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.833 110.7 47.8 -61.2 -35.6 43.4 19.6 44.1 12 13 A X H X S+ 0 0 9 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.917 111.6 50.3 -69.5 -45.2 42.5 15.9 43.6 13 14 A R H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.908 113.9 45.5 -54.5 -46.2 38.7 16.7 43.7 14 15 A R H X S+ 0 0 83 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.827 107.3 56.4 -74.1 -34.2 39.2 19.5 41.2 15 16 A D H X S+ 0 0 37 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.894 113.6 42.0 -61.0 -41.8 41.4 17.5 38.8 16 17 A L H < S+ 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.909 114.0 50.6 -70.1 -44.8 38.6 14.8 38.7 17 18 A H H < S+ 0 0 1 -4,-2.3 78,-0.4 1,-0.2 -2,-0.2 0.849 111.8 49.5 -60.4 -37.7 35.8 17.4 38.4 18 19 A E H < S+ 0 0 44 -4,-2.3 71,-3.0 1,-0.3 72,-0.3 0.778 119.9 36.5 -72.0 -31.6 37.7 19.1 35.6 19 20 A H S < S+ 0 0 66 -4,-1.1 -1,-0.3 69,-0.2 -2,-0.1 -0.589 83.6 177.1-122.7 68.1 38.2 15.8 33.7 20 21 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.420 10.0-160.3 -78.1 149.9 35.0 13.8 34.3 21 22 A E - 0 0 30 52,-0.3 54,-3.4 -2,-0.1 5,-0.2 -0.950 15.6-117.5-129.0 149.4 34.4 10.4 32.7 22 23 A L > - 0 0 47 -2,-0.3 3,-2.5 3,-0.2 54,-0.1 -0.316 53.6 -60.5 -80.8 163.7 31.2 8.4 32.1 23 24 A S T 3 S+ 0 0 19 52,-0.5 -1,-0.2 1,-0.3 53,-0.0 -0.167 124.5 1.8 -44.5 127.9 30.2 5.0 33.6 24 25 A F T 3 S+ 0 0 69 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.486 117.4 85.2 65.5 8.2 32.8 2.3 32.6 25 26 A Q < + 0 0 122 -3,-2.5 2,-1.9 1,-0.1 3,-0.4 0.100 47.5 122.0-120.6 18.0 34.8 4.9 30.7 26 27 A E > + 0 0 0 1,-0.2 4,-1.8 -5,-0.2 27,-0.4 -0.356 25.0 136.2 -84.0 57.9 36.8 6.1 33.8 27 28 A V H > S+ 0 0 87 -2,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.946 75.0 37.1 -70.0 -51.1 40.2 5.3 32.2 28 29 A E H > S+ 0 0 85 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.836 115.7 54.3 -73.4 -35.2 42.0 8.5 33.3 29 30 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 109.5 47.9 -62.3 -47.6 40.2 8.7 36.6 30 31 A T H X S+ 0 0 15 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.881 111.8 51.6 -58.0 -41.5 41.4 5.1 37.4 31 32 A K H X S+ 0 0 114 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.915 111.4 46.0 -62.8 -45.0 44.9 6.2 36.3 32 33 A K H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 112.1 50.0 -66.8 -45.9 44.9 9.2 38.6 33 34 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.926 111.3 49.6 -56.8 -50.0 43.5 7.3 41.7 34 35 A R H X S+ 0 0 89 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.945 112.8 46.8 -52.9 -54.6 46.2 4.6 41.2 35 36 A R H X S+ 0 0 114 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.888 110.2 52.7 -55.8 -45.4 49.0 7.1 41.0 36 37 A W H X S+ 0 0 18 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.834 111.9 44.7 -64.7 -35.6 47.8 9.1 44.0 37 38 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.5 -3,-0.2 3,-0.6 0.859 111.3 52.8 -76.0 -38.1 47.7 6.1 46.3 38 39 A E H ><5S+ 0 0 99 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.718 97.9 67.8 -70.7 -21.0 51.1 4.8 45.1 39 40 A E H 3<5S+ 0 0 81 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 108.1 37.6 -60.7 -38.4 52.5 8.2 45.9 40 41 A E T <<5S- 0 0 55 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.126 120.2-109.6-103.1 18.9 51.9 7.4 49.6 41 42 A Q T < 5 + 0 0 148 -3,-1.0 2,-0.6 1,-0.2 -3,-0.2 0.822 60.2 159.7 57.4 38.3 52.9 3.7 49.2 42 43 A I < - 0 0 2 -5,-2.5 -1,-0.2 -6,-0.1 16,-0.1 -0.824 45.7-113.0 -89.0 124.0 49.3 2.4 49.7 43 44 A E E -A 57 0A 109 14,-0.6 14,-2.2 -2,-0.6 2,-0.5 -0.330 26.0-150.9 -60.1 131.1 49.1 -1.1 48.3 44 45 A I E -A 56 0A 23 12,-0.2 12,-0.3 -2,-0.1 2,-0.2 -0.929 14.8-129.4-105.9 126.4 46.9 -1.5 45.2 45 46 A L - 0 0 33 10,-2.7 2,-0.8 -2,-0.5 10,-0.5 -0.496 18.8-120.9 -74.7 141.2 45.2 -4.8 44.7 46 47 A D + 0 0 131 -2,-0.2 -1,-0.1 8,-0.1 8,-0.0 -0.755 42.6 159.9 -87.9 108.2 45.5 -6.5 41.3 47 48 A V > + 0 0 29 -2,-0.8 3,-1.6 3,-0.2 -1,-0.1 -0.744 10.4 177.2-130.1 82.0 42.0 -7.0 39.9 48 49 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 96,-0.0 0.787 76.2 65.7 -62.1 -30.7 42.4 -7.4 36.1 49 50 A Q T 3 S+ 0 0 128 1,-0.2 2,-1.1 95,-0.1 3,-0.2 0.750 89.0 74.5 -63.2 -25.7 38.7 -8.0 35.5 50 51 A L < + 0 0 12 -3,-1.6 -3,-0.2 1,-0.2 -1,-0.2 -0.771 59.7 178.3 -90.2 95.6 38.1 -4.4 36.6 51 52 A K S S+ 0 0 129 -2,-1.1 2,-0.3 1,-0.1 -1,-0.2 0.928 76.9 26.3 -61.2 -48.3 39.2 -2.4 33.6 52 53 A T S S+ 0 0 6 -3,-0.2 -25,-0.1 -22,-0.0 -1,-0.1 -0.885 101.6 58.8-114.3 151.7 38.2 0.8 35.4 53 54 A G - 0 0 5 -27,-0.4 2,-0.4 -2,-0.3 76,-0.2 -0.141 67.7-117.9 106.5 151.5 38.1 1.2 39.2 54 55 A V E - B 0 128A 0 74,-1.4 74,-2.8 -2,-0.1 2,-0.5 -0.987 13.8-162.7-132.3 132.7 40.7 0.8 41.8 55 56 A I E + B 0 127A 5 -10,-0.5 -10,-2.7 -2,-0.4 2,-0.3 -0.978 19.4 174.0-115.1 121.8 41.0 -1.6 44.8 56 57 A A E -AB 44 126A 0 70,-2.2 70,-3.0 -2,-0.5 2,-0.3 -0.800 12.6-155.4-123.4 166.2 43.5 -0.7 47.5 57 58 A E E -AB 43 125A 15 -14,-2.2 -14,-0.6 -2,-0.3 2,-0.5 -0.993 10.4-168.0-149.4 133.7 44.3 -2.1 50.9 58 59 A I E - B 0 124A 0 66,-2.6 66,-2.6 -2,-0.3 2,-0.4 -0.979 17.2-156.7-123.2 117.2 45.8 -1.0 54.2 59 60 A K E - B 0 123A 98 -2,-0.5 64,-0.2 64,-0.2 61,-0.1 -0.738 7.5-139.5 -93.8 137.2 46.7 -3.7 56.7 60 61 A G - 0 0 9 62,-2.7 58,-0.2 -2,-0.4 61,-0.1 -0.144 32.5-102.1 -75.0-176.5 47.0 -3.0 60.4 61 62 A R S S+ 0 0 202 56,-1.1 2,-0.3 59,-0.6 60,-0.1 0.424 102.7 64.5 -93.9 0.3 49.8 -4.6 62.5 62 63 A E S S- 0 0 115 58,-0.7 -2,-0.3 60,-0.2 2,-0.2 -0.916 91.3-108.9-116.0 147.7 47.5 -7.3 63.9 63 64 A D + 0 0 170 -2,-0.3 -2,-0.1 -4,-0.1 -4,-0.0 -0.557 63.5 130.4 -64.8 138.0 45.7 -10.1 62.1 64 65 A G - 0 0 38 -2,-0.2 58,-0.2 -4,-0.1 294,-0.0 -0.970 53.8 -44.7-172.2-178.2 42.0 -9.2 62.1 65 66 A P - 0 0 42 0, 0.0 58,-2.3 0, 0.0 2,-0.5 -0.207 50.7-124.4 -61.5 156.9 38.7 -8.8 60.1 66 67 A V E -cd 123 150A 23 83,-0.8 85,-3.6 56,-0.2 86,-0.7 -0.929 28.7-176.8-105.6 127.6 38.7 -7.1 56.7 67 68 A I E -cd 124 152A 0 56,-3.0 58,-3.4 -2,-0.5 2,-0.3 -0.862 13.4-137.8-119.2 160.7 36.3 -4.1 56.3 68 69 A A E -cd 125 153A 0 84,-2.8 86,-2.2 -2,-0.3 2,-0.4 -0.894 9.0-162.1-123.4 147.0 35.6 -2.1 53.1 69 70 A I E -cd 126 154A 2 56,-2.5 58,-2.8 -2,-0.3 2,-0.4 -0.997 20.6-154.7-127.0 127.2 35.2 1.6 52.4 70 71 A R E +cd 127 155A 2 84,-3.0 86,-0.6 -2,-0.4 2,-0.3 -0.844 18.5 173.6-115.0 135.2 33.5 2.5 49.1 71 72 A A E -c 128 0A 1 56,-3.1 58,-3.0 -2,-0.4 2,-0.3 -0.981 25.5-133.1-127.7 146.9 33.6 5.6 46.8 72 73 A D E -c 129 0A 0 -2,-0.3 31,-0.4 56,-0.2 30,-0.1 -0.798 15.3-171.2 -98.4 142.9 32.0 5.9 43.3 73 74 A I + 0 0 1 56,-2.5 -52,-0.3 -2,-0.3 2,-0.2 0.458 44.7 103.4-116.3 -3.0 34.1 7.4 40.5 74 75 A D - 0 0 0 55,-0.4 25,-0.2 -54,-0.1 -52,-0.2 -0.554 48.0-154.6 -92.3 149.7 31.8 8.0 37.5 75 76 A A - 0 0 3 -54,-3.4 -52,-0.5 -2,-0.2 20,-0.2 -0.242 20.2-101.0-104.3-164.7 30.3 11.3 36.1 76 77 A L B -H 94 0B 14 18,-2.4 2,-2.4 2,-0.2 18,-2.3 -0.906 21.1-113.4-130.4 149.7 27.2 12.1 34.1 77 78 A P S S+ 0 0 97 0, 0.0 2,-0.4 0, 0.0 16,-0.3 -0.350 77.4 117.1 -75.8 60.3 26.2 13.0 30.5 78 79 A I - 0 0 41 -2,-2.4 2,-0.5 16,-0.2 -2,-0.2 -0.983 69.0-117.7-130.3 140.2 25.2 16.6 31.5 79 80 A Q - 0 0 91 -2,-0.4 2,-0.2 13,-0.2 15,-0.1 -0.657 36.1-120.5 -75.9 124.3 26.6 19.9 30.4 80 81 A E + 0 0 14 -2,-0.5 255,-0.2 13,-0.4 12,-0.1 -0.449 30.8 178.5 -68.6 134.3 28.1 21.8 33.3 81 82 A Q + 0 0 128 253,-2.6 254,-0.1 -2,-0.2 -1,-0.1 -0.082 52.1 100.2-125.7 32.6 26.6 25.2 34.1 82 83 A T - 0 0 28 252,-0.3 253,-0.1 2,-0.1 -1,-0.1 0.763 69.6-145.3 -88.9 -28.2 28.5 26.3 37.2 83 84 A N + 0 0 157 1,-0.2 252,-0.0 -3,-0.1 -2,-0.0 0.752 42.6 157.5 59.7 29.4 31.1 28.6 35.6 84 85 A L > - 0 0 56 1,-0.1 3,-1.6 2,-0.0 -1,-0.2 -0.469 55.2-118.3 -77.9 154.0 33.6 27.5 38.1 85 86 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.770 117.1 42.8 -65.3 -23.7 37.4 27.8 37.3 86 87 A F T 3 S+ 0 0 15 3,-0.0 3,-0.1 2,-0.0 -2,-0.0 -0.000 85.8 143.2-110.4 24.0 37.7 24.0 37.5 87 88 A A < - 0 0 21 -3,-1.6 -69,-0.1 1,-0.2 7,-0.1 -0.248 66.9 -66.7 -63.3 153.1 34.5 23.2 35.6 88 89 A S - 0 0 14 1,-0.2 -69,-0.2 -71,-0.1 -70,-0.2 -0.098 35.9-159.7 -42.0 127.9 34.5 20.2 33.3 89 90 A K S S+ 0 0 130 -71,-3.0 2,-0.7 -3,-0.1 -1,-0.2 0.385 78.3 83.0 -89.5 -0.3 36.7 20.7 30.3 90 91 A V S > S- 0 0 63 -72,-0.3 3,-1.9 3,-0.3 -10,-0.2 -0.901 84.4-135.6-105.8 102.5 34.7 17.9 28.6 91 92 A D T 3 S+ 0 0 131 -2,-0.7 -12,-0.1 1,-0.3 3,-0.1 -0.344 88.0 19.5 -60.2 128.9 31.5 19.5 27.2 92 93 A G T 3 S+ 0 0 28 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.363 109.3 91.0 91.0 -4.7 28.4 17.5 27.9 93 94 A T < + 0 0 15 -3,-1.9 -13,-0.4 -16,-0.3 2,-0.3 -0.975 49.2 160.6-122.9 139.3 30.0 15.6 30.8 94 95 A X B -H 76 0B 0 -18,-2.3 -18,-2.4 -2,-0.4 2,-1.9 -0.975 48.4-123.3-157.7 141.2 30.0 16.6 34.4 95 96 A H > + 0 0 2 -78,-0.4 3,-0.8 -2,-0.3 6,-0.1 -0.562 50.6 155.1 -77.3 71.9 30.4 15.4 38.0 96 97 A A T 3 + 0 0 0 -2,-1.9 236,-2.8 1,-0.2 237,-0.4 0.296 65.7 52.8 -88.3 8.6 26.9 16.6 38.9 97 98 A C T 3 S- 0 0 5 234,-0.2 61,-0.3 235,-0.1 -1,-0.2 0.288 111.3-111.5-125.1 5.6 26.5 14.1 41.7 98 99 A G S <> S+ 0 0 0 -3,-0.8 4,-2.1 59,-0.1 5,-0.1 0.667 70.2 138.9 74.5 20.6 29.7 14.8 43.7 99 100 A H H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.760 71.1 60.3 -69.3 -25.8 31.5 11.5 42.9 100 101 A D H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 107.0 47.2 -59.9 -47.4 34.7 13.5 42.5 101 102 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 110.8 50.5 -56.9 -48.9 34.2 14.6 46.1 102 103 A H H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.927 113.1 47.1 -56.7 -47.0 33.5 11.1 47.3 103 104 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 -31,-0.4 -2,-0.2 0.945 113.1 45.8 -60.7 -54.6 36.7 9.8 45.5 104 105 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.880 112.9 52.4 -58.6 -41.0 39.0 12.6 46.9 105 106 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.922 110.4 45.9 -58.3 -49.7 37.6 12.2 50.4 106 107 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.725 109.6 54.4 -73.5 -22.8 38.2 8.4 50.5 107 108 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.905 108.2 51.5 -69.8 -42.8 41.7 8.9 49.1 108 109 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 107.5 51.9 -52.1 -51.1 42.1 11.2 52.0 109 110 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.908 109.3 49.6 -52.6 -48.0 40.9 8.5 54.4 110 111 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.899 110.8 50.3 -60.5 -42.2 43.4 6.1 52.9 111 112 A X H X S+ 0 0 8 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.882 112.8 45.7 -64.3 -41.2 46.2 8.6 53.4 112 113 A L H >< S+ 0 0 48 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.868 114.4 47.8 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127.1-143.9 164.1 6.3 0.6 31.5 233 251 A G E -LM 181 213D 0 -52,-1.8 -52,-2.5 -2,-0.3 2,-0.3 -0.967 44.4 -72.1 176.1-163.3 7.7 2.2 34.6 234 252 A T E -LM 180 212D 4 -22,-2.4 -22,-2.7 -2,-0.3 2,-0.4 -0.895 19.7-149.2-125.6 150.0 9.3 1.8 38.0 235 253 A V E -LM 179 211D 0 -56,-2.3 -56,-1.5 -2,-0.3 2,-0.4 -0.958 14.2-165.8-113.0 136.4 8.3 0.6 41.5 236 254 A R E + M 0 210D 85 -26,-1.6 -26,-2.3 -2,-0.4 2,-0.3 -0.988 14.1 165.5-126.6 122.4 10.0 2.1 44.6 237 255 A T - 0 0 1 -60,-0.5 -60,-2.7 -2,-0.4 -28,-0.1 -0.849 30.3-156.6-127.4 165.3 9.8 0.5 48.0 238 256 A F S S+ 0 0 54 -2,-0.3 2,-0.3 -62,-0.2 -63,-0.1 0.611 77.6 62.2-114.9 -23.6 11.6 0.9 51.4 239 257 A Q S > S- 0 0 86 1,-0.1 4,-1.6 -66,-0.1 -1,-0.1 -0.810 77.6-129.9-107.4 151.3 10.8 -2.5 52.9 240 258 A K H > S+ 0 0 82 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.847 107.1 47.9 -65.3 -40.2 11.8 -5.9 51.6 241 259 A E H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.882 106.9 56.4 -70.2 -40.8 8.4 -7.5 51.8 242 260 A A H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 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-74,-0.3 1,-0.3 -3,-0.2 0.678 89.1 110.5 71.0 18.7 -12.2 -9.0 26.9 263 281 A A < - 0 0 1 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.636 60.9-129.7-115.6 172.1 -8.4 -8.5 26.8 264 282 A Q E -K 186 0D 84 -78,-3.5 -78,-2.2 -2,-0.2 2,-0.4 -0.952 13.4-137.6-126.4 150.4 -5.4 -10.1 28.5 265 283 A A E -K 185 0D 19 -2,-0.3 2,-0.5 -80,-0.2 -80,-0.2 -0.861 3.9-158.0-108.3 137.9 -2.5 -8.6 30.3 266 284 A E E -K 184 0D 67 -82,-2.7 -82,-2.2 -2,-0.4 2,-0.5 -0.979 15.1-164.8-107.7 121.5 1.2 -9.6 30.1 267 285 A F E -K 183 0D 20 -2,-0.5 2,-0.4 -84,-0.2 -84,-0.2 -0.938 6.1-174.9-111.2 124.5 3.1 -8.5 33.2 268 286 A K E -K 182 0D 104 -86,-3.0 -86,-2.3 -2,-0.5 2,-0.4 -0.959 6.2-161.4-120.7 138.7 6.9 -8.4 33.2 269 287 A W E -K 181 0D 63 -2,-0.4 -88,-0.2 -88,-0.2 -2,-0.0 -0.972 6.5-175.8-124.5 126.5 9.1 -7.6 36.2 270 288 A F E -K 180 0D 64 -90,-3.4 -90,-2.8 -2,-0.4 -2,-0.0 -0.869 19.1-142.3-127.8 98.0 12.8 -6.6 36.0 271 289 A P E +K 179 0D 90 0, 0.0 -92,-0.2 0, 0.0 -2,-0.0 -0.324 29.1 162.8 -59.8 134.9 14.7 -6.1 39.2 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28.8-106.7 -80.9 143.5 16.1 11.5 55.9 302 320 A Q - 0 0 94 -2,-0.3 -127,-0.2 -127,-0.0 -128,-0.1 -0.325 27.4-142.3 -70.5 151.6 15.2 8.9 53.3 303 321 A S B -j 175 0C 8 -129,-2.6 -127,-1.7 2,-0.2 -1,-0.0 -0.951 10.4-146.3-116.7 137.5 15.9 9.3 49.6 304 322 A P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -129,-0.1 0.641 75.9 93.9 -71.8 -14.9 13.7 8.2 46.7 305 323 A G S S- 0 0 24 1,-0.1 -129,-0.6 -69,-0.0 2,-0.4 -0.243 73.8-123.5 -76.6 165.4 16.8 7.5 44.6 306 324 A G - 0 0 24 -131,-0.1 2,-0.4 -31,-0.1 -129,-0.1 -0.869 18.3-165.6-112.3 144.9 18.6 4.2 44.2 307 325 A E > - 0 0 2 -2,-0.4 3,-1.8 -33,-0.3 4,-0.2 -0.996 22.6-140.6-130.8 134.1 22.2 3.4 45.0 308 326 A D T >> S+ 0 0 0 -2,-0.4 3,-1.3 1,-0.3 4,-0.6 0.581 93.4 85.7 -75.5 -4.4 24.1 0.3 43.8 309 327 A F H >> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.785 77.2 71.7 -55.2 -29.1 25.8 0.3 47.2 310 328 A A H <> S+ 0 0 1 -3,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.796 85.5 63.8 -58.8 -32.7 22.6 -1.6 48.2 311 329 A L H X4 S+ 0 0 11 -3,-1.3 3,-0.5 1,-0.2 4,-0.4 0.859 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-17.9 10.6 1.4 668 327 B F H >> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.804 75.3 74.0 -54.4 -30.3 -21.2 10.6 -0.5 669 328 B A H <> S+ 0 0 1 -3,-1.8 4,-0.7 1,-0.2 -1,-0.3 0.777 84.5 62.9 -54.7 -32.5 -22.3 12.6 2.6 670 329 B L H X4 S+ 0 0 9 -3,-1.6 3,-0.5 1,-0.2 4,-0.3 0.848 101.3 50.3 -65.1 -35.9 -20.4 15.6 1.3 671 330 B Y H XX S+ 0 0 0 -3,-0.9 4,-2.3 -4,-0.6 3,-1.7 0.909 105.5 59.3 -62.7 -41.4 -22.7 15.8 -1.7 672 331 B Q H 3< S+ 0 0 25 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.590 96.1 58.9 -70.1 -15.2 -25.7 15.6 0.7 673 332 B E T << S+ 0 0 96 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.525 114.1 39.2 -87.3 -5.4 -24.7 18.8 2.6 674 333 B K T <4 S+ 0 0 139 -3,-1.7 -2,-0.2 1,-0.4 -3,-0.1 0.789 128.4 9.5-104.0 -46.9 -24.9 20.7 -0.7 675 334 B I S < S- 0 0 24 -4,-2.3 -1,-0.4 -161,-0.0 -162,-0.1 -0.906 88.6 -84.2-132.3 159.4 -28.0 19.1 -2.4 676 335 B P + 0 0 52 0, 0.0 -162,-1.5 0, 0.0 2,-0.3 -0.405 58.0 172.4 -59.3 136.4 -30.8 16.7 -1.5 677 336 B G E -v 514 0E 2 -41,-0.4 -39,-2.3 -164,-0.2 2,-0.4 -0.978 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T S S+ 0 0 113 1,-0.3 2,-0.3 9,-0.2 8,-0.1 0.566 76.4 48.4-129.6 -40.1 -20.3 -13.8 3.3 688 347 B E S S- 0 0 69 6,-0.2 -1,-0.3 1,-0.1 8,-0.3 -0.803 83.2-106.7-113.2 151.4 -17.7 -11.5 4.6 689 348 B E > - 0 0 117 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 -0.089 54.1 -67.6 -66.7 166.3 -17.9 -7.8 5.6 690 349 B W T 3 S+ 0 0 58 1,-0.2 -232,-0.2 -232,-0.1 -1,-0.2 -0.265 121.1 20.8 -51.1 140.8 -16.5 -4.8 3.7 691 350 B H T 3 S+ 0 0 80 -234,-2.6 -1,-0.2 1,-0.3 -233,-0.2 0.273 87.1 134.5 80.9 -7.2 -12.7 -4.8 3.5 692 351 B H X - 0 0 76 -3,-1.7 3,-2.0 -235,-0.4 -1,-0.3 -0.515 62.6-128.0 -71.6 138.1 -12.2 -8.5 4.2 693 352 B P T 3 S+ 0 0 29 0, 0.0 -251,-2.5 0, 0.0 -250,-0.2 0.743 111.4 47.9 -55.9 -26.5 -9.7 -10.3 1.9 694 353 B A T 3 S+ 0 0 26 -253,-0.2 -6,-0.2 -252,-0.1 -7,-0.1 0.149 80.9 147.9-102.6 16.4 -12.3 -13.0 1.2 695 354 B F < - 0 0 4 -3,-2.0 2,-0.2 -8,-0.1 -6,-0.1 -0.280 24.9-176.3 -51.6 128.2 -15.1 -10.4 0.5 696 355 B T - 0 0 46 -8,-0.3 2,-0.3 -239,-0.1 -9,-0.2 -0.727 15.0-155.2-125.1 177.5 -17.5 -11.7 -2.2 697 356 B L - 0 0 17 -2,-0.2 2,-0.7 -11,-0.1 -12,-0.2 -0.962 21.8-122.9-158.7 133.0 -20.5 -10.5 -4.1 698 357 B D > - 0 0 56 -14,-2.4 3,-1.7 -2,-0.3 4,-0.1 -0.729 20.5-154.7 -82.4 114.8 -23.5 -12.2 -5.8 699 358 B E T > S+ 0 0 27 -2,-0.7 3,-2.3 1,-0.3 4,-0.4 0.686 84.6 77.5 -68.6 -20.5 -23.4 -11.0 -9.4 700 359 B E T >> S+ 0 0 98 1,-0.3 3,-1.0 2,-0.2 4,-1.0 0.755 82.8 70.8 -58.0 -22.6 -27.1 -11.5 -10.0 701 360 B A H <> S+ 0 0 0 -3,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.573 79.6 75.1 -71.3 -10.7 -27.4 -8.2 -8.0 702 361 B L H <> S+ 0 0 0 -3,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.832 96.4 48.0 -67.4 -35.9 -25.9 -6.4 -11.1 703 362 B T H <> S+ 0 0 29 -3,-1.0 4,-2.1 -4,-0.4 5,-0.2 0.917 113.7 47.8 -65.9 -46.4 -29.3 -6.8 -12.8 704 363 B V H X S+ 0 0 6 -4,-1.0 4,-3.0 2,-0.2 -2,-0.2 0.955 115.5 42.1 -60.7 -54.8 -31.1 -5.5 -9.7 705 364 B A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.889 115.8 47.8 -64.3 -45.2 -28.9 -2.4 -9.1 706 365 B S H X S+ 0 0 2 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.894 118.3 41.6 -63.0 -42.8 -28.7 -1.4 -12.8 707 366 B Q H X S+ 0 0 74 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.900 112.4 55.0 -69.4 -43.6 -32.5 -1.8 -13.3 708 367 B Y H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.898 110.5 43.9 -57.3 -47.1 -33.3 -0.2 -9.9 709 368 B F H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.752 109.9 56.7 -75.5 -25.8 -31.4 3.0 -10.6 710 369 B A H X S+ 0 0 1 -4,-1.1 4,-1.7 -5,-0.2 -2,-0.2 0.965 113.1 40.4 -62.8 -52.9 -32.8 3.3 -14.1 711 370 B E H X S+ 0 0 24 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.852 112.1 56.0 -65.2 -39.1 -36.4 3.3 -12.8 712 371 B L H X S+ 0 0 4 -4,-2.2 4,-3.6 -5,-0.2 5,-0.2 0.909 106.5 51.0 -59.7 -44.5 -35.5 5.5 -9.9 713 372 B A H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.921 111.2 47.3 -58.7 -47.1 -34.2 8.2 -12.2 714 373 B V H X S+ 0 0 3 -4,-1.7 4,-0.9 2,-0.2 -232,-0.3 0.902 116.8 44.0 -62.1 -42.7 -37.3 8.1 -14.4 715 374 B I H X S+ 0 0 11 -4,-2.5 4,-1.1 2,-0.2 3,-0.4 0.933 114.6 48.6 -68.5 -47.0 -39.5 8.3 -11.3 716 375 B V H >X S+ 0 0 0 -4,-3.6 4,-3.3 1,-0.2 3,-0.9 0.936 107.8 54.1 -58.9 -49.5 -37.4 11.0 -9.6 717 376 B L H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.755 113.2 42.9 -60.6 -26.5 -37.3 13.3 -12.7 718 377 B E H 3< S+ 0 0 101 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.627 123.0 36.7 -93.5 -13.0 -41.1 13.2 -13.0 719 378 B T H << 0 0 96 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.2 0.725 360.0 360.0-110.3 -29.4 -41.8 13.7 -9.3 720 379 B I < 0 0 86 -4,-3.3 -3,-0.1 -5,-0.2 -2,-0.1 0.923 360.0 360.0 -61.1 360.0 -39.1 16.1 -8.1