==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-OCT-08 3EZX . COMPND 2 MOLECULE: MONOMETHYLAMINE CORRINOID PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR R.JAIN . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 2 0 0 2 2 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.1 11.3 29.2 19.7 2 3 A N > + 0 0 74 1,-0.1 4,-1.5 3,-0.1 3,-0.5 0.516 360.0 141.7 67.2 7.2 10.9 28.1 23.4 3 4 A Q H > + 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.821 64.2 59.4 -50.0 -36.2 7.1 28.4 23.2 4 5 A E H > S+ 0 0 138 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 106.7 43.6 -61.0 -50.4 6.5 25.3 25.3 5 6 A I H > S+ 0 0 13 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.756 110.5 58.1 -68.5 -21.5 8.4 26.6 28.3 6 7 A F H X S+ 0 0 7 -4,-1.5 4,-3.3 2,-0.2 -1,-0.2 0.949 106.9 46.6 -69.2 -48.4 6.7 30.0 27.9 7 8 A D H X S+ 0 0 47 -4,-2.2 4,-3.4 1,-0.2 -2,-0.2 0.891 111.4 52.5 -59.4 -40.8 3.3 28.4 28.2 8 9 A K H X S+ 0 0 87 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.888 112.3 44.8 -62.9 -40.0 4.5 26.4 31.3 9 10 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.930 114.3 49.7 -68.2 -46.3 5.7 29.6 32.9 10 11 A R H X S+ 0 0 70 -4,-3.3 4,-2.0 1,-0.2 3,-0.5 0.934 114.0 45.3 -56.9 -48.5 2.4 31.3 31.9 11 12 A D H X S+ 0 0 58 -4,-3.4 4,-3.0 1,-0.2 -1,-0.2 0.805 102.0 64.5 -67.8 -31.9 0.3 28.4 33.3 12 13 A A H <>S+ 0 0 6 -4,-1.9 5,-3.1 -5,-0.2 -1,-0.2 0.865 109.5 41.3 -60.3 -34.9 2.3 28.2 36.6 13 14 A I H ><5S+ 0 0 0 -4,-1.3 3,-1.7 -3,-0.5 -2,-0.2 0.932 114.0 51.1 -76.3 -49.0 1.1 31.7 37.4 14 15 A V H 3<5S+ 0 0 16 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.860 115.0 44.2 -57.1 -37.4 -2.5 31.1 36.2 15 16 A N T 3<5S- 0 0 106 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.055 111.0-116.9 -99.4 26.8 -2.7 27.9 38.3 16 17 A Q T < 5 + 0 0 39 -3,-1.7 2,-1.4 1,-0.2 3,-0.2 0.835 51.9 164.3 42.2 47.0 -1.1 29.3 41.4 17 18 A N >< + 0 0 73 -5,-3.1 4,-2.3 1,-0.2 -1,-0.2 -0.597 0.8 164.8 -93.0 75.3 1.8 26.9 41.3 18 19 A V T 4 S+ 0 0 26 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.913 72.3 46.5 -57.3 -50.8 4.1 28.8 43.8 19 20 A A T > S+ 0 0 81 -3,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.884 116.0 46.2 -62.1 -39.7 6.5 25.9 44.4 20 21 A G H >> S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.878 91.1 75.3 -73.9 -41.6 6.9 25.2 40.7 21 22 A T H 3X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.826 96.6 51.6 -41.1 -43.4 7.4 28.6 39.1 22 23 A P H 3> S+ 0 0 17 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.934 106.9 52.6 -63.6 -44.1 11.0 28.8 40.4 23 24 A E H <>S+ 0 0 1 -4,-3.1 5,-1.9 2,-0.2 3,-0.8 0.922 116.1 52.1 -66.5 -44.6 14.1 27.9 30.9 29 30 A L H ><5S+ 0 0 34 -4,-2.1 3,-1.5 -5,-0.3 -2,-0.2 0.931 108.4 49.7 -57.1 -49.2 17.1 29.8 32.1 30 31 A A H 3<5S+ 0 0 93 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.653 100.4 67.9 -65.6 -15.0 19.3 26.7 31.7 31 32 A A T <<5S- 0 0 66 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.123 124.6-102.1 -90.8 19.5 17.9 26.3 28.2 32 33 A G T < 5S+ 0 0 67 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.2 0.646 74.6 148.1 71.4 14.5 19.7 29.5 27.2 33 34 A V < - 0 0 5 -5,-1.9 2,-0.3 -6,-0.1 -1,-0.2 -0.696 51.9-114.0 -86.4 131.9 16.5 31.5 27.5 34 35 A P >> - 0 0 69 0, 0.0 3,-2.0 0, 0.0 4,-1.6 -0.469 18.4-127.1 -68.2 126.9 17.0 35.2 28.6 35 36 A A H 3> S+ 0 0 8 1,-0.3 4,-1.5 -2,-0.3 5,-0.1 0.782 108.1 55.0 -38.8 -44.8 15.5 36.1 31.9 36 37 A L H 3> S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.823 106.2 51.1 -66.0 -30.2 13.6 39.0 30.5 37 38 A D H <> S+ 0 0 50 -3,-2.0 4,-2.5 2,-0.2 5,-0.3 0.851 104.7 57.5 -73.7 -33.3 11.9 36.8 27.9 38 39 A I H X>S+ 0 0 0 -4,-1.6 5,-2.3 3,-0.2 4,-0.5 0.881 114.2 40.1 -61.0 -38.8 10.9 34.4 30.7 39 40 A I H <>S+ 0 0 2 -4,-1.5 5,-3.7 3,-0.2 6,-0.6 0.984 122.4 35.8 -74.0 -62.8 9.1 37.4 32.3 40 41 A T H <5S+ 0 0 65 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.801 127.9 35.6 -65.6 -32.2 7.6 39.2 29.3 41 42 A K H <5S+ 0 0 110 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.2 0.540 136.0 12.7-100.0 -5.8 6.7 36.1 27.3 42 43 A G T X5S+ 0 0 0 -4,-0.5 4,-2.0 -5,-0.3 -3,-0.2 0.612 127.2 32.6-129.0 -71.8 5.8 33.8 30.2 43 44 A L H > S+ 0 0 56 -6,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.923 112.3 44.0 -58.1 -45.0 1.5 36.7 30.1 46 47 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.904 108.9 55.3 -67.5 -43.6 0.2 34.6 32.9 47 48 A M H X S+ 0 0 53 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.851 107.2 52.4 -59.2 -33.5 -0.2 37.5 35.3 48 49 A K H X S+ 0 0 149 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.935 109.4 47.4 -67.1 -47.1 -2.3 39.3 32.7 49 50 A I H X S+ 0 0 56 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.912 111.9 50.4 -59.9 -43.2 -4.6 36.3 32.3 50 51 A V H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.794 108.5 54.6 -64.9 -28.8 -4.9 35.9 36.1 51 52 A G H X S+ 0 0 33 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.923 110.1 44.4 -70.4 -44.4 -5.7 39.6 36.2 52 53 A D H X S+ 0 0 87 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.939 109.7 55.5 -64.7 -48.5 -8.6 39.2 33.7 53 54 A K H <>S+ 0 0 70 -4,-2.8 5,-2.9 1,-0.2 6,-0.8 0.886 110.9 46.1 -50.7 -42.7 -9.9 36.1 35.4 54 55 A F H ><5S+ 0 0 86 -4,-1.5 3,-2.4 1,-0.2 -1,-0.2 0.941 109.5 52.2 -67.6 -48.0 -10.1 38.1 38.7 55 56 A E H 3<5S+ 0 0 173 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.665 109.7 52.0 -63.8 -14.3 -11.8 41.2 37.0 56 57 A A T 3<5S- 0 0 59 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.235 115.4-117.8-103.7 10.2 -14.3 38.7 35.6 57 58 A A T < 5S+ 0 0 66 -3,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.764 81.5 121.1 58.6 29.8 -15.0 37.3 39.1 58 59 A E S - 0 0 113 -2,-0.2 4,-1.9 -3,-0.1 3,-0.4 -0.566 39.2 -58.4-137.0-159.2 -10.5 35.6 43.8 61 62 A L H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.781 122.2 56.7 -62.9 -29.3 -8.1 36.8 46.4 62 63 A P H > S+ 0 0 79 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.920 112.2 44.4 -69.3 -34.6 -6.8 33.5 47.5 63 64 A Q H > S+ 0 0 60 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.829 112.5 50.8 -72.5 -37.4 -5.8 32.7 43.9 64 65 A I H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.853 107.2 54.3 -70.3 -35.4 -4.3 36.2 43.3 65 66 A M H X S+ 0 0 133 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.946 111.3 44.8 -63.6 -46.5 -2.2 35.9 46.5 66 67 A M H X S+ 0 0 95 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.831 112.5 50.8 -67.5 -32.8 -0.7 32.6 45.4 67 68 A S H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.854 111.1 50.7 -72.2 -32.4 -0.1 33.9 41.8 68 69 A G H X S+ 0 0 19 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.938 112.7 43.8 -68.4 -46.2 1.6 36.9 43.4 69 70 A K H X S+ 0 0 108 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.846 109.0 60.3 -66.8 -32.3 3.8 34.8 45.5 70 71 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.900 110.0 40.8 -61.9 -41.0 4.4 32.6 42.5 71 72 A M H X S+ 0 0 10 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.812 111.0 56.0 -78.6 -30.1 5.9 35.5 40.6 72 73 A S H X S+ 0 0 40 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.902 108.6 48.4 -67.2 -39.0 7.8 36.9 43.6 73 74 A N H X S+ 0 0 26 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.860 109.4 53.4 -67.3 -34.3 9.6 33.5 43.9 74 75 A A H >X S+ 0 0 0 -4,-1.1 4,-1.6 1,-0.2 3,-0.7 0.880 105.2 55.0 -66.6 -37.3 10.3 33.5 40.2 75 76 A M H 3X S+ 0 0 16 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.781 97.1 63.1 -67.3 -28.4 11.9 37.0 40.6 76 77 A E H 3< S+ 0 0 127 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.803 109.5 41.9 -67.1 -27.0 14.3 35.7 43.2 77 78 A V H << S+ 0 0 30 -3,-0.7 4,-0.5 -4,-0.7 -2,-0.2 0.809 122.3 37.9 -88.3 -31.9 15.7 33.4 40.6 78 79 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.1 5,-0.2 0.807 99.9 72.4 -89.8 -33.1 15.7 35.9 37.7 79 80 A T H X S+ 0 0 33 -4,-3.1 4,-2.2 1,-0.2 3,-0.4 0.930 100.8 45.6 -48.8 -54.4 16.7 39.1 39.5 80 81 A P H 4 S+ 0 0 62 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.894 112.0 53.1 -58.5 -35.9 20.3 38.0 40.0 81 82 A E H >4 S+ 0 0 66 -4,-0.5 3,-0.6 1,-0.2 -2,-0.2 0.848 111.1 47.2 -65.6 -33.0 20.3 36.9 36.4 82 83 A L H 3< S+ 0 0 18 -4,-2.3 -1,-0.2 -3,-0.4 -3,-0.2 0.782 100.4 64.7 -78.4 -30.2 19.1 40.4 35.4 83 84 A E T 3< S+ 0 0 91 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.2 0.505 84.0 100.1 -73.0 -2.6 21.7 42.2 37.6 84 85 A K S < S+ 0 0 112 -3,-0.6 3,-0.2 -4,-0.3 -3,-0.0 -0.398 70.4 39.8 -77.7 161.9 24.4 40.7 35.3 85 86 A N S S- 0 0 133 1,-0.2 2,-3.4 -2,-0.1 -1,-0.2 0.919 74.2-165.6 64.4 42.7 25.9 42.9 32.6 86 87 A K 0 0 114 -3,-0.3 -1,-0.2 1,-0.1 31,-0.2 -0.316 360.0 360.0 -61.6 71.8 25.9 45.9 35.0 87 88 A K 0 0 178 -2,-3.4 -1,-0.1 29,-1.2 28,-0.1 -0.294 360.0 360.0 -55.5 360.0 26.5 48.2 32.0 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 92 A E 0 0 162 0, 0.0 30,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 89.2 26.4 55.8 36.6 90 93 A A - 0 0 47 28,-3.2 2,-0.3 1,-0.2 29,-0.2 0.430 360.0 -66.9 -65.1 3.7 23.9 57.7 34.4 91 94 A G - 0 0 10 27,-0.4 29,-2.3 2,-0.0 2,-0.5 -0.842 62.3 -57.1 140.1-176.8 22.6 59.0 37.7 92 95 A L E -ab 120 145A 3 52,-2.6 54,-2.9 -2,-0.3 2,-0.5 -0.911 39.6-159.8-108.3 125.2 20.8 58.2 41.0 93 96 A A E -ab 121 146A 0 27,-2.7 29,-1.7 -2,-0.5 2,-0.7 -0.909 3.4-162.1-108.4 125.5 17.4 56.6 40.9 94 97 A I E -ab 122 147A 0 52,-2.8 54,-1.9 -2,-0.5 2,-0.3 -0.918 19.2-165.6-105.8 105.1 15.1 56.8 44.0 95 98 A T E +ab 123 148A 0 27,-1.9 29,-2.9 -2,-0.7 30,-0.4 -0.740 16.8 150.0 -98.9 142.8 12.5 54.1 43.6 96 99 A F E - b 0 149A 2 52,-2.2 54,-2.4 -2,-0.3 2,-0.4 -0.992 39.4-124.5-162.5 162.7 9.3 53.7 45.5 97 100 A V E - b 0 150A 0 28,-1.1 31,-1.9 -2,-0.3 54,-0.2 -0.954 48.4 -96.5-114.1 134.7 5.7 52.5 45.6 98 101 A A > - 0 0 4 52,-3.5 3,-1.8 -2,-0.4 29,-0.8 0.084 53.0 -75.3 -46.9 158.2 3.0 55.1 46.5 99 102 A E T 3 S+ 0 0 98 29,-0.4 60,-0.1 1,-0.3 -1,-0.1 -0.294 118.5 15.4 -59.5 135.4 1.6 55.4 50.0 100 103 A G T 3 S+ 0 0 49 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.420 102.9 111.9 80.8 -1.5 -0.9 52.6 51.0 101 104 A D < + 0 0 0 -3,-1.8 26,-1.4 -4,-0.2 -1,-0.3 -0.873 36.1 172.9-107.0 134.9 0.3 50.5 48.1 102 105 A I + 0 0 123 -2,-0.4 2,-0.5 24,-0.2 -1,-0.1 0.346 37.9 123.1-121.3 4.5 2.2 47.2 48.6 103 106 A H + 0 0 88 1,-0.2 4,-0.1 2,-0.1 49,-0.1 -0.562 26.9 157.2 -65.7 119.1 2.3 45.9 45.1 104 107 A D > + 0 0 46 -2,-0.5 4,-4.0 3,-0.1 5,-0.3 0.514 41.0 91.2-125.9 -8.2 6.1 45.6 44.6 105 108 A I H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.952 99.6 36.4 -53.8 -53.7 6.6 43.0 41.8 106 109 A G H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 117.8 52.9 -66.3 -38.6 6.7 45.6 39.1 107 110 A H H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.948 110.8 46.6 -61.1 -48.9 8.4 48.1 41.3 108 111 A R H X S+ 0 0 146 -4,-4.0 4,-1.4 1,-0.2 -1,-0.2 0.827 111.3 53.0 -63.2 -33.7 11.2 45.6 42.1 109 112 A L H X S+ 0 0 22 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.927 111.0 44.0 -68.7 -46.6 11.5 44.7 38.4 110 113 A V H X S+ 0 0 25 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.917 112.4 53.1 -63.7 -44.7 12.0 48.3 37.2 111 114 A T H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 109.2 50.8 -58.9 -35.2 14.4 49.0 40.1 112 115 A T H X S+ 0 0 17 -4,-1.4 4,-1.1 -5,-0.2 -1,-0.2 0.941 110.8 46.8 -70.8 -46.7 16.4 46.0 39.0 113 116 A M H >X S+ 0 0 14 -4,-2.3 4,-1.1 2,-0.2 3,-1.0 0.971 104.4 66.5 -59.4 -54.2 16.6 47.1 35.4 114 117 A L H 3< S+ 0 0 1 -4,-3.1 2,-0.4 1,-0.3 4,-0.1 -0.461 108.7 30.3 -60.8 141.7 17.6 50.6 36.4 115 118 A G H >4 S+ 0 0 4 -28,-0.1 3,-1.1 1,-0.1 -1,-0.3 -0.268 111.1 67.1 98.4 -48.7 21.0 50.1 38.0 116 119 A A H << S+ 0 0 6 -4,-1.1 -29,-1.2 -3,-1.0 -2,-0.2 0.674 103.0 51.2 -74.9 -16.5 21.6 47.1 35.6 117 120 A N T 3< S- 0 0 41 -4,-1.1 -1,-0.3 -31,-0.2 -27,-0.2 -0.266 141.4 -73.7-113.0 42.5 21.5 49.9 33.1 118 121 A G S < S+ 0 0 6 -3,-1.1 -28,-3.2 1,-0.2 -27,-0.4 0.871 90.9 129.2 72.7 41.5 24.1 52.2 34.8 119 122 A F - 0 0 7 -30,-0.2 2,-0.4 -4,-0.2 -1,-0.2 -0.964 54.6-132.1-128.5 145.0 22.1 53.6 37.7 120 123 A Q E -a 92 0A 105 -29,-2.3 -27,-2.7 -2,-0.4 2,-0.3 -0.791 35.8-132.8 -90.6 136.6 22.8 53.8 41.4 121 124 A I E +a 93 0A 57 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.728 31.0 176.3-103.0 143.7 19.8 52.6 43.4 122 125 A V E -a 94 0A 28 -29,-1.7 -27,-1.9 -2,-0.3 2,-0.8 -0.814 17.0-169.6-138.3 89.2 17.9 54.0 46.3 123 126 A D E -a 95 0A 75 -2,-0.3 -27,-0.2 -29,-0.2 3,-0.1 -0.760 10.2-175.2 -88.3 105.8 15.0 51.6 47.0 124 127 A L - 0 0 54 -29,-2.9 2,-0.3 -2,-0.8 -28,-0.2 0.589 34.6-136.4 -76.9 -9.8 12.6 53.2 49.5 125 128 A G - 0 0 27 -30,-0.4 -28,-1.1 3,-0.1 -1,-0.3 -0.662 38.2 -42.8 92.2-148.5 10.4 50.1 49.6 126 129 A V S S+ 0 0 51 -2,-0.3 -24,-0.2 -30,-0.2 -28,-0.1 -0.729 112.4 33.0-118.3 168.0 6.5 50.2 49.5 127 130 A D S S+ 0 0 87 -26,-1.4 2,-0.4 -29,-0.8 -28,-0.3 0.871 79.1 175.2 56.0 37.9 3.9 52.4 51.2 128 131 A V - 0 0 11 -31,-1.9 -29,-0.4 -3,-0.2 -1,-0.2 -0.632 30.0-123.6 -81.4 128.3 6.3 55.3 51.1 129 132 A L > - 0 0 83 -2,-0.4 4,-1.0 1,-0.1 3,-0.3 -0.355 18.3-123.2 -66.9 148.6 5.0 58.7 52.3 130 133 A N H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.846 111.6 55.8 -62.9 -32.1 5.3 61.5 49.8 131 134 A E H > S+ 0 0 139 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.838 102.0 54.5 -69.9 -33.4 7.4 63.5 52.3 132 135 A N H > S+ 0 0 69 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.766 109.1 49.2 -71.0 -24.0 10.0 60.8 52.7 133 136 A V H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.2 -2,-0.2 0.879 113.0 47.1 -78.0 -39.8 10.5 60.8 49.0 134 137 A V H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.884 111.5 51.0 -66.3 -39.8 10.8 64.6 49.1 135 138 A E H X S+ 0 0 102 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.883 110.6 49.2 -65.4 -37.2 13.2 64.2 52.0 136 139 A E H X S+ 0 0 32 -4,-1.4 4,-0.7 1,-0.2 -2,-0.2 0.901 110.7 49.8 -68.1 -41.1 15.2 61.7 50.1 137 140 A A H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.838 107.8 55.2 -66.1 -34.0 15.3 64.0 47.0 138 141 A A H >< S+ 0 0 49 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.907 100.7 56.8 -65.8 -44.2 16.4 66.9 49.2 139 142 A K H 3< S+ 0 0 142 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.749 114.6 41.6 -59.3 -23.5 19.4 65.0 50.6 140 143 A H T >< S+ 0 0 39 -4,-0.7 3,-1.5 -3,-0.4 -1,-0.3 0.017 82.9 149.2-113.6 26.1 20.5 64.7 46.9 141 144 A K T < + 0 0 125 -3,-2.1 3,-0.1 1,-0.2 -3,-0.1 -0.373 65.5 22.8 -63.7 134.4 19.6 68.2 45.7 142 145 A G T 3 S+ 0 0 71 1,-0.4 -1,-0.2 33,-0.1 2,-0.1 0.084 104.1 93.5 99.6 -24.1 21.8 69.4 42.9 143 146 A E S < S- 0 0 90 -3,-1.5 2,-1.0 1,-0.1 -1,-0.4 -0.299 93.9 -71.4 -95.4-178.2 23.0 66.0 41.6 144 147 A K + 0 0 118 -3,-0.1 -52,-2.6 -2,-0.1 2,-0.4 -0.634 65.9 170.7 -75.8 104.1 21.6 63.7 38.9 145 148 A V E -b 92 0A 2 -2,-1.0 32,-2.3 30,-0.5 2,-0.4 -0.966 22.3-173.4-128.3 134.3 18.4 62.4 40.4 146 149 A L E -bc 93 177A 1 -54,-2.9 -52,-2.8 -2,-0.4 2,-0.8 -0.985 15.0-149.5-122.7 123.3 15.5 60.4 38.9 147 150 A L E -bc 94 178A 0 30,-3.0 32,-3.0 -2,-0.4 2,-0.7 -0.834 14.4-171.0 -96.4 108.3 12.3 59.8 40.9 148 151 A V E -bc 95 179A 9 -54,-1.9 -52,-2.2 -2,-0.8 2,-0.4 -0.870 10.9-175.9-101.6 108.0 10.8 56.4 39.9 149 152 A G E -bc 96 180A 1 30,-2.4 32,-2.4 -2,-0.7 2,-0.3 -0.842 10.7-160.3-112.9 144.2 7.4 55.9 41.4 150 153 A S E +bc 97 181A 11 -54,-2.4 -52,-3.5 -2,-0.4 2,-0.2 -0.830 15.8 161.7-116.9 156.6 4.9 53.0 41.4 151 154 A A + 0 0 0 30,-0.5 34,-0.3 -2,-0.3 32,-0.2 -0.724 12.7 177.9-172.3 115.3 1.2 52.7 42.0 152 155 A L S S+ 0 0 62 -2,-0.2 2,-0.4 31,-0.1 30,-0.1 0.359 71.4 67.8-104.1 3.5 -1.1 49.8 40.9 153 156 A M S >> S- 0 0 75 1,-0.1 4,-2.3 -50,-0.1 3,-0.6 -0.988 74.7-139.3-127.0 133.5 -4.2 51.3 42.6 154 157 A T H 3> S+ 0 0 86 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.892 104.9 58.5 -53.8 -43.8 -6.0 54.4 41.5 155 158 A T H 34 S+ 0 0 117 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.858 114.0 37.3 -55.8 -38.6 -6.5 55.4 45.1 156 159 A S H <4 S+ 0 0 10 -3,-0.6 3,-0.4 1,-0.2 -1,-0.2 0.751 110.2 62.0 -85.4 -26.7 -2.7 55.4 45.6 157 160 A M H >< S+ 0 0 16 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 0.803 93.3 64.3 -68.2 -30.5 -1.9 56.8 42.2 158 161 A L T >X S+ 0 0 97 -4,-1.9 3,-1.7 1,-0.3 4,-0.7 0.839 90.4 66.4 -62.5 -33.5 -3.8 60.0 43.0 159 162 A G H 3> S+ 0 0 26 -3,-0.4 4,-1.9 -4,-0.4 -1,-0.3 0.592 82.5 76.0 -65.1 -9.8 -1.2 60.8 45.7 160 163 A Q H <> S+ 0 0 3 -3,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.806 89.3 58.2 -71.1 -27.7 1.4 61.2 43.0 161 164 A K H <> S+ 0 0 94 -3,-1.7 4,-2.8 -4,-0.3 5,-0.2 0.981 104.9 48.9 -62.7 -55.3 -0.2 64.5 42.3 162 165 A D H X S+ 0 0 64 -4,-0.7 4,-2.8 1,-0.2 5,-0.2 0.898 108.4 55.3 -49.3 -46.8 0.4 65.6 45.8 163 166 A L H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.962 109.6 44.7 -53.0 -56.7 4.0 64.4 45.6 164 167 A M H X S+ 0 0 4 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.906 113.6 51.6 -55.2 -42.3 4.7 66.6 42.5 165 168 A D H X S+ 0 0 67 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.865 109.7 49.4 -63.6 -35.4 2.9 69.5 44.2 166 169 A R H X S+ 0 0 91 -4,-2.8 4,-0.9 -3,-0.3 -1,-0.2 0.762 103.7 59.1 -75.5 -25.2 5.1 69.0 47.3 167 170 A L H <>S+ 0 0 0 -4,-1.9 5,-2.9 -5,-0.2 6,-1.2 0.821 110.3 43.7 -71.4 -30.0 8.3 69.0 45.2 168 171 A N H ><5S+ 0 0 90 -4,-1.2 3,-3.3 3,-0.2 -2,-0.2 0.894 105.6 58.5 -79.9 -43.8 7.4 72.4 43.9 169 172 A E H 3<5S+ 0 0 117 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.775 112.9 43.9 -55.6 -25.3 6.4 73.9 47.3 170 173 A E T 3<5S- 0 0 105 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.091 110.9-128.1-106.0 19.3 9.9 72.9 48.3 171 174 A K T < 5S+ 0 0 185 -3,-3.3 -3,-0.2 1,-0.2 -2,-0.1 0.849 78.0 116.6 30.3 62.1 11.3 74.3 45.0 172 175 A L > < + 0 0 9 -5,-2.9 3,-1.0 -6,-0.0 4,-0.3 0.469 44.5 90.2-125.8 -18.9 13.1 71.0 44.4 173 176 A R G > S+ 0 0 32 -6,-1.2 3,-4.0 1,-0.2 -5,-0.1 0.937 78.8 50.9 -43.9 -81.2 11.3 70.0 41.2 174 177 A D G 3 S+ 0 0 161 1,-0.3 -1,-0.2 -7,-0.1 -6,-0.0 0.577 104.4 62.5 -41.8 -15.9 13.3 71.4 38.3 175 178 A S G < S+ 0 0 47 -3,-1.0 -30,-0.5 1,-0.0 2,-0.3 0.569 106.2 48.1 -89.9 -9.4 16.5 69.8 39.8 176 179 A V S < S- 0 0 9 -3,-4.0 2,-0.4 -4,-0.3 -30,-0.2 -0.962 75.5-130.0-133.2 150.6 15.1 66.3 39.4 177 180 A K E -c 146 0A 15 -32,-2.3 -30,-3.0 -2,-0.3 2,-0.5 -0.790 23.5-149.3 -97.7 138.7 13.4 64.2 36.7 178 181 A C E +c 147 0A 1 -2,-0.4 18,-2.8 -32,-0.2 19,-1.0 -0.939 17.5 175.8-118.7 123.5 10.2 62.4 37.6 179 182 A M E -cd 148 197A 9 -32,-3.0 -30,-2.4 -2,-0.5 2,-0.3 -0.976 7.8-174.6-125.2 117.8 8.9 59.1 36.1 180 183 A F E +c 149 0A 2 17,-1.1 19,-0.3 -2,-0.5 2,-0.2 -0.809 11.6 157.8-109.5 152.7 5.8 57.4 37.4 181 184 A G E +c 150 0A 13 -32,-2.4 -30,-0.5 -2,-0.3 19,-0.1 -0.848 20.5 118.5-153.7-170.5 4.4 54.0 36.4 182 185 A G S S- 0 0 37 17,-0.4 -30,-0.1 -2,-0.2 -32,-0.1 -0.364 78.5 -85.7 142.6 -64.1 2.1 51.2 37.4 183 186 A A S S+ 0 0 84 -32,-0.2 -31,-0.1 -30,-0.0 -1,-0.1 -0.325 121.9 66.0 151.7 -52.1 -0.8 50.6 35.1 184 187 A P S S+ 0 0 37 0, 0.0 2,-0.6 0, 0.0 -32,-0.1 0.650 85.6 97.4 -68.9 -8.8 -3.5 53.0 36.4 185 188 A V - 0 0 15 -34,-0.3 2,-0.2 3,-0.1 -3,-0.1 -0.710 60.2-171.8 -83.8 120.7 -0.9 55.6 35.3 186 189 A S > - 0 0 44 -2,-0.6 4,-1.6 -5,-0.1 -3,-0.0 -0.715 39.9-112.4-110.6 161.2 -1.8 57.0 31.8 187 190 A D H > S+ 0 0 113 -2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.687 120.8 56.5 -63.8 -15.4 0.1 59.3 29.5 188 191 A K H >> S+ 0 0 166 2,-0.2 4,-1.9 1,-0.1 3,-1.1 0.954 103.2 48.8 -77.4 -57.1 -2.7 61.8 30.3 189 192 A W H 3> S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.779 100.5 68.4 -54.7 -30.8 -2.2 61.7 34.1 190 193 A I H 3X>S+ 0 0 4 -4,-1.6 5,-3.1 1,-0.2 4,-2.0 0.885 109.7 32.8 -59.0 -41.7 1.5 62.3 33.7 191 194 A E H <<5S+ 0 0 130 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.785 107.4 68.7 -86.2 -29.1 1.0 65.8 32.4 192 195 A E H <5S+ 0 0 131 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 117.0 27.2 -54.5 -42.3 -2.1 66.6 34.4 193 196 A I H <5S- 0 0 23 -4,-1.8 -2,-0.2 -29,-0.0 -1,-0.2 0.936 119.0-105.9 -84.2 -54.9 0.3 66.5 37.4 194 197 A G T <5 + 0 0 29 -4,-2.0 -3,-0.2 -5,-0.3 -16,-0.1 0.574 59.4 153.4 133.6 27.2 3.5 67.5 35.8 195 198 A A < - 0 0 15 -5,-3.1 -16,-0.2 -6,-0.2 3,-0.1 -0.124 44.8-130.9 -76.1 175.5 5.8 64.5 35.5 196 199 A D - 0 0 67 -18,-2.8 2,-0.3 1,-0.1 -17,-0.2 0.603 69.6 -41.6-103.7 -16.6 8.5 63.8 32.9 197 200 A A B -d 179 0A 17 -19,-1.0 -17,-1.1 -7,-0.1 2,-0.2 -0.897 41.5-146.8-174.3-156.0 7.6 60.3 31.7 198 201 A T - 0 0 23 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.858 11.9-145.7 169.4 163.2 6.4 56.7 32.3 199 202 A A - 0 0 20 -19,-0.3 -17,-0.4 -2,-0.2 3,-0.1 -0.869 15.6-140.1-139.9 172.5 6.9 53.3 30.9 200 203 A E S S+ 0 0 169 -2,-0.3 2,-0.3 1,-0.3 3,-0.1 0.505 83.9 11.0-113.4 -10.8 4.9 50.1 30.4 201 204 A N S > S- 0 0 75 1,-0.1 4,-2.7 -91,-0.0 -1,-0.3 -0.976 82.4 -94.4-159.5 167.0 7.5 47.6 31.3 202 205 A A H > S+ 0 0 6 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.924 119.5 53.8 -50.8 -51.3 10.9 47.2 32.9 203 206 A A H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.944 113.6 37.9 -49.3 -63.4 12.6 47.2 29.5 204 207 A E H > S+ 0 0 78 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.871 110.5 63.2 -59.6 -38.0 11.1 50.5 28.2 205 208 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.922 104.0 47.9 -52.4 -47.1 11.5 52.0 31.7 206 209 A A H X S+ 0 0 5 -4,-2.2 4,-2.0 -3,-0.4 -1,-0.2 0.934 113.3 47.0 -60.6 -48.9 15.2 51.6 31.5 207 210 A K H X S+ 0 0 141 -4,-1.8 4,-2.7 1,-0.2 3,-0.3 0.969 114.1 46.3 -57.9 -55.8 15.3 53.2 28.0 208 211 A V H X S+ 0 0 24 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.893 108.4 57.6 -54.6 -42.0 13.1 56.1 29.0 209 212 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.921 111.3 42.5 -54.6 -45.9 15.2 56.5 32.2 210 213 A L H >< S+ 0 0 66 -4,-2.0 3,-2.1 -3,-0.3 -2,-0.2 0.959 112.8 50.9 -66.3 -53.3 18.3 57.0 30.1 211 214 A E H 3< S+ 0 0 138 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.891 100.6 62.2 -52.6 -44.7 16.8 59.2 27.4 212 215 A V T 3< 0 0 46 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.391 360.0 360.0 -66.0 11.5 15.4 61.5 30.1 213 216 A M < 0 0 133 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.968 360.0 360.0 54.3 360.0 19.1 62.0 30.8