==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-NOV-06 2E1Z . COMPND 2 MOLECULE: PROPIONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR D.K.SIMANSHU,H.S.SAVITHRI,M.R.N.MURTHY . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 11.9 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 2 2 0 0 2 2 1 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 . 1 3 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 4 A F 0 0 102 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.6 -4.7 62.0 65.1 2 5 A P - 0 0 63 0, 0.0 19,-2.4 0, 0.0 20,-0.4 -0.299 360.0-158.6 -64.7 149.7 -5.6 59.8 62.1 3 6 A V E -Ab 20 77A 1 73,-2.8 75,-2.3 17,-0.2 76,-1.1 -0.863 13.1-131.9-122.9 160.7 -3.4 56.7 61.4 4 7 A V E -Ab 19 79A 0 15,-3.0 15,-2.9 -2,-0.3 2,-0.6 -0.965 14.7-148.3-108.6 129.3 -2.7 54.6 58.4 5 8 A L E -Ab 18 80A 1 74,-2.5 76,-2.8 -2,-0.5 2,-0.5 -0.900 15.9-163.0 -93.8 122.5 -2.8 50.8 58.8 6 9 A V E -Ab 17 81A 6 11,-3.0 11,-1.9 -2,-0.6 2,-0.4 -0.923 6.2-169.4-112.4 129.6 -0.3 49.1 56.4 7 10 A I E -Ab 16 82A 2 74,-3.1 76,-2.7 -2,-0.5 2,-0.5 -0.954 19.2-176.3-125.4 133.4 -0.6 45.4 55.6 8 11 A N E -A 15 0A 44 7,-2.8 7,-2.7 -2,-0.4 2,-0.8 -0.921 15.7-171.0-126.6 104.2 1.7 43.0 53.9 9 12 A C E +A 14 0A 2 74,-0.5 5,-0.2 -2,-0.5 113,-0.2 -0.834 14.3 176.1-107.9 98.8 -0.1 39.7 53.8 10 13 A G - 0 0 13 3,-2.4 -2,-0.0 -2,-0.8 105,-0.0 -0.240 46.9 -82.7 -99.0-174.9 2.2 37.0 52.5 11 14 A S S S+ 0 0 61 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.836 125.7 9.3 -55.9 -38.8 2.2 33.2 51.9 12 15 A S S S+ 0 0 60 1,-0.1 23,-2.6 22,-0.1 22,-0.7 0.334 128.0 34.1-127.7 2.8 3.0 32.4 55.6 13 16 A S E - C 0 33A 20 20,-0.2 -3,-2.4 21,-0.2 2,-0.4 -0.957 54.9-138.9-152.1 166.2 2.7 35.8 57.5 14 17 A I E -AC 9 32A 0 18,-2.5 18,-2.2 -2,-0.3 2,-0.4 -0.917 21.3-167.1-130.0 106.1 1.0 39.2 57.8 15 18 A K E +AC 8 31A 119 -7,-2.7 -7,-2.8 -2,-0.4 2,-0.3 -0.779 15.0 177.9 -87.8 136.5 3.3 42.1 58.6 16 19 A F E -AC 7 30A 3 14,-1.9 14,-2.0 -2,-0.4 2,-0.3 -0.980 16.4-175.5-139.2 154.1 1.6 45.2 59.7 17 20 A S E -AC 6 29A 14 -11,-1.9 -11,-3.0 -2,-0.3 2,-0.5 -0.985 17.2-144.8-141.0 146.1 2.5 48.7 60.8 18 21 A V E -AC 5 28A 0 10,-2.9 9,-3.4 -2,-0.3 10,-1.1 -0.976 23.4-166.7-111.7 121.4 0.3 51.6 62.1 19 22 A L E -AC 4 26A 0 -15,-2.9 -15,-3.0 -2,-0.5 2,-0.2 -0.902 23.0-121.0-113.3 135.5 1.7 55.0 60.9 20 23 A D E > -A 3 0A 21 5,-2.3 4,-2.3 -2,-0.4 -17,-0.2 -0.549 19.2-141.3 -67.5 133.1 0.7 58.4 62.2 21 24 A V T 4 S+ 0 0 39 -19,-2.4 -1,-0.1 -2,-0.2 -18,-0.1 0.846 97.4 52.1 -66.1 -33.4 -0.7 60.4 59.3 22 25 A A T 4 S+ 0 0 87 -20,-0.4 -1,-0.2 1,-0.2 -19,-0.1 0.844 129.5 12.5 -75.3 -36.8 1.0 63.6 60.5 23 26 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.496 87.0-130.5-119.4 -9.7 4.6 62.3 61.0 24 27 A C < + 0 0 14 -4,-2.3 2,-0.2 1,-0.2 -3,-0.1 0.669 58.7 146.2 56.7 20.7 4.6 58.9 59.2 25 28 A D - 0 0 100 -5,-0.1 -5,-2.3 1,-0.1 2,-0.4 -0.562 56.7-105.9 -80.3 147.8 6.2 57.5 62.4 26 29 A V E +C 19 0A 79 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.642 35.4 175.9 -76.6 126.4 5.3 53.9 63.4 27 30 A L E S+ 0 0 93 -9,-3.4 2,-0.3 1,-0.4 -1,-0.2 0.658 73.4 2.7 -97.2 -26.3 3.0 53.8 66.4 28 31 A M E +C 18 0A 3 -10,-1.1 -10,-2.9 2,-0.0 -1,-0.4 -0.974 64.3 177.3-158.9 144.9 2.7 50.0 66.4 29 32 A A E +C 17 0A 29 -2,-0.3 16,-2.0 -12,-0.2 2,-0.3 -0.972 13.6 137.7-147.0 162.1 4.1 47.1 64.4 30 33 A G E -CD 16 44A 14 -14,-2.0 -14,-1.9 -2,-0.3 2,-0.3 -0.973 33.4-120.1-178.5-170.3 3.9 43.3 64.4 31 34 A I E -CD 15 43A 41 12,-0.9 12,-2.0 -2,-0.3 2,-0.5 -0.865 6.4-148.5-162.1 118.6 3.5 40.1 62.5 32 35 A A E -CD 14 42A 3 -18,-2.2 -18,-2.5 -2,-0.3 2,-0.3 -0.815 39.4-173.6 -80.4 128.1 1.1 37.2 62.4 33 36 A D E +CD 13 41A 56 8,-3.1 8,-2.0 -2,-0.5 -20,-0.2 -0.834 48.8 38.4-132.2 162.1 3.3 34.2 61.6 34 37 A G S > S- 0 0 20 -22,-0.7 3,-1.1 -2,-0.3 -21,-0.2 0.883 77.7-172.9 63.9 41.2 3.0 30.5 60.8 35 38 A M T 3 + 0 0 11 -23,-2.6 -1,-0.2 1,-0.2 21,-0.1 -0.358 62.4 15.3 -74.0 147.1 -0.1 31.2 58.7 36 39 A N T 3 S+ 0 0 93 19,-0.9 2,-0.2 1,-0.3 -1,-0.2 0.695 110.6 107.2 59.7 23.4 -2.2 28.4 57.3 37 40 A T S < S- 0 0 47 -3,-1.1 17,-0.9 18,-0.2 18,-0.4 -0.767 85.6-107.7-124.1 167.3 -0.3 26.1 59.7 38 41 A E S S+ 0 0 84 -2,-0.2 2,-0.8 1,-0.2 16,-0.6 0.907 111.7 47.6 -62.7 -44.4 -1.2 24.3 63.0 39 42 A N S S+ 0 0 75 14,-0.2 2,-0.3 -4,-0.1 -1,-0.2 -0.729 73.2 163.0-105.7 82.9 0.8 26.7 65.1 40 43 A A + 0 0 4 -2,-0.8 12,-3.5 -3,-0.3 2,-0.3 -0.720 10.3 176.5 -94.8 150.2 0.0 30.3 64.2 41 44 A F E -DE 33 51A 74 -8,-2.0 -8,-3.1 -2,-0.3 2,-0.5 -0.994 25.8-135.8-155.5 157.1 0.9 33.3 66.4 42 45 A L E -DE 32 50A 12 8,-3.1 8,-1.9 -2,-0.3 2,-0.6 -0.958 17.5-175.8-122.5 115.3 0.8 37.1 66.7 43 46 A S E -D 31 0A 18 -12,-2.0 -12,-0.9 -2,-0.5 2,-0.4 -0.914 6.1-165.0-117.7 107.7 3.8 39.1 68.0 44 47 A I E > S-D 30 0A 4 -2,-0.6 3,-1.6 -14,-0.2 4,-0.3 -0.766 76.9 -19.7 -90.8 128.2 3.4 42.9 68.4 45 48 A N T 3 S- 0 0 91 -16,-2.0 -1,-0.2 -2,-0.4 -15,-0.1 0.710 115.2 -73.9 51.4 25.0 6.6 44.9 68.9 46 49 A G T 3 S+ 0 0 71 -3,-0.3 -1,-0.3 -17,-0.1 -16,-0.1 0.954 107.9 123.6 47.9 57.1 8.2 41.6 70.0 47 50 A D S < S- 0 0 87 -3,-1.6 -2,-0.1 1,-0.0 -4,-0.1 0.708 75.9 -3.3-119.4 -31.6 6.3 41.8 73.3 48 51 A K - 0 0 56 -4,-0.3 2,-1.2 -6,-0.1 -6,-0.2 -0.261 62.2-142.8-167.2 72.8 4.1 38.7 73.8 49 52 A P - 0 0 91 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.080 30.3-160.9 -41.3 78.0 4.0 36.0 71.0 50 53 A I E -E 42 0A 53 -8,-1.9 -8,-3.1 -2,-1.2 -2,-0.1 -0.486 14.1-118.5 -75.6 131.0 0.3 35.2 71.5 51 54 A N E +E 41 0A 93 -10,-0.2 -10,-0.3 -2,-0.2 -1,-0.1 -0.320 33.3 171.4 -71.7 148.3 -0.9 31.9 70.1 52 55 A L - 0 0 31 -12,-3.5 -11,-0.1 -14,-0.1 3,-0.1 -0.295 18.4-169.0-150.8 52.7 -3.5 31.7 67.3 53 56 A A + 0 0 70 1,-0.2 -14,-0.2 -14,-0.1 -15,-0.2 -0.201 68.2 6.9 -57.6 133.5 -3.5 28.0 66.3 54 57 A H S S+ 0 0 85 -17,-0.9 2,-0.4 -16,-0.6 -1,-0.2 0.993 88.5 156.9 55.7 73.4 -5.5 27.2 63.1 55 58 A S - 0 0 15 -18,-0.4 -19,-0.9 -3,-0.1 -18,-0.2 -0.995 32.9-142.1-131.6 131.4 -6.3 30.7 62.0 56 59 A N > - 0 0 90 -2,-0.4 4,-2.8 -21,-0.1 5,-0.2 -0.242 40.8 -91.8 -78.1 175.0 -7.2 32.0 58.5 57 60 A Y H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.837 129.4 48.8 -59.7 -35.7 -6.1 35.4 57.1 58 61 A E H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.819 110.8 51.1 -73.3 -30.6 -9.3 37.1 58.3 59 62 A D H > S+ 0 0 80 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.936 111.0 48.1 -68.7 -47.0 -8.8 35.5 61.8 60 63 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.903 114.9 44.8 -57.0 -45.3 -5.2 36.8 61.9 61 64 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.783 110.4 54.5 -73.9 -28.3 -6.2 40.3 60.9 62 65 A K H X S+ 0 0 38 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.873 108.4 50.2 -68.2 -38.9 -9.2 40.2 63.3 63 66 A A H X S+ 0 0 33 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.934 112.4 46.5 -58.6 -49.6 -6.6 39.3 66.0 64 67 A I H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.916 110.7 52.5 -59.7 -45.3 -4.5 42.3 64.8 65 68 A A H X S+ 0 0 15 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.820 105.4 56.5 -60.7 -32.7 -7.6 44.5 64.8 66 69 A F H X S+ 0 0 37 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.916 105.3 49.9 -64.4 -45.4 -8.3 43.5 68.4 67 70 A E H < S+ 0 0 73 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.766 109.6 53.1 -65.6 -27.5 -4.9 44.7 69.5 68 71 A L H ><>S+ 0 0 0 -4,-1.4 5,-3.2 2,-0.2 6,-0.7 0.888 109.9 46.1 -72.0 -42.2 -5.6 48.0 67.7 69 72 A E H ><5S+ 0 0 124 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.790 106.2 59.2 -74.0 -28.3 -9.0 48.5 69.5 70 73 A K T 3<5S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.699 110.1 44.3 -68.6 -22.1 -7.5 47.6 72.9 71 74 A R T < 5S- 0 0 94 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.127 117.7-115.5-106.7 17.2 -5.1 50.5 72.3 72 75 A D T < 5S+ 0 0 126 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.800 84.1 120.2 49.6 36.8 -7.9 52.8 71.1 73 76 A L >>< + 0 0 28 -5,-3.2 3,-1.3 2,-0.1 4,-0.7 0.676 49.9 80.5 -95.6 -22.9 -6.3 53.0 67.6 74 77 A T G >4 S+ 0 0 39 -6,-0.7 3,-0.8 1,-0.3 -5,-0.1 0.852 90.3 50.7 -52.8 -42.8 -9.3 51.5 65.8 75 78 A D G 34 S+ 0 0 145 1,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.632 108.1 53.5 -78.6 -12.4 -11.3 54.7 65.6 76 79 A S G <4 S+ 0 0 40 -3,-1.3 -73,-2.8 -74,-0.1 2,-0.9 0.503 74.3 114.9 -97.3 -7.1 -8.3 56.7 64.2 77 80 A V E << +b 3 0A 10 -3,-0.8 -73,-0.2 -4,-0.7 3,-0.1 -0.543 31.1 162.3 -66.5 103.5 -7.6 54.3 61.3 78 81 A A E + 0 0 49 -75,-2.3 56,-0.6 -2,-0.9 2,-0.3 0.587 62.5 20.5 -97.1 -19.2 -8.4 56.7 58.4 79 82 A L E -bf 4 134A 12 -76,-1.1 -74,-2.5 54,-0.1 2,-0.4 -0.992 59.9-152.8-150.5 146.5 -6.7 54.7 55.6 80 83 A I E -bf 5 135A 0 54,-1.7 56,-2.8 -2,-0.3 2,-0.5 -0.997 11.7-160.1-123.4 129.2 -5.5 51.1 55.0 81 84 A G E -bf 6 136A 0 -76,-2.8 -74,-3.1 -2,-0.4 2,-0.5 -0.929 4.0-162.5-109.0 128.3 -2.6 50.4 52.6 82 85 A H E -bf 7 137A 3 54,-3.1 56,-2.8 -2,-0.5 2,-0.5 -0.943 13.9-138.7-111.0 127.6 -2.1 46.9 51.1 83 86 A R E - f 0 138A 43 -76,-2.7 -74,-0.5 -2,-0.5 2,-0.4 -0.724 20.6-161.6 -80.8 124.7 1.2 45.8 49.6 84 87 A I E - f 0 139A 0 54,-3.1 56,-2.6 -2,-0.5 57,-0.3 -0.940 12.5-150.4-112.2 131.2 0.5 43.8 46.4 85 88 A A S S+ 0 0 20 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.862 79.1 19.9 -67.4 -38.1 3.3 41.5 45.0 86 89 A H + 0 0 1 54,-0.1 -1,-0.2 26,-0.1 26,-0.1 -0.972 44.5 170.4-145.6 120.0 2.4 41.7 41.3 87 90 A G >> - 0 0 0 -2,-0.4 4,-1.4 1,-0.3 3,-0.9 0.253 32.2-158.2-107.2 10.1 0.3 44.2 39.3 88 91 A G T 34 - 0 0 0 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 -0.132 60.3 -42.0 45.9-140.1 1.2 42.9 35.9 89 92 A E T 34 S+ 0 0 86 1,-0.1 -1,-0.2 3,-0.0 3,-0.0 0.476 130.2 77.8 -93.1 -5.3 0.8 45.5 33.1 90 93 A L T <4 S+ 0 0 83 -3,-0.9 2,-0.5 1,-0.1 -2,-0.2 0.726 86.9 60.2 -77.5 -24.1 -2.5 46.7 34.6 91 94 A F < + 0 0 9 -4,-1.4 -4,-0.1 -3,-0.2 -1,-0.1 -0.927 40.4 154.8-118.9 120.3 -1.1 48.8 37.4 92 95 A T S S+ 0 0 93 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.375 74.6 16.2-113.9 -5.2 1.2 51.8 36.9 93 96 A Q S S- 0 0 131 44,-0.0 -1,-0.2 52,-0.0 2,-0.1 -0.968 92.7 -75.7-159.6 167.1 0.4 53.6 40.1 94 97 A S - 0 0 12 -2,-0.3 2,-0.3 44,-0.1 44,-0.2 -0.472 52.6-164.9 -70.6 146.1 -1.2 53.1 43.5 95 98 A V E -G 137 0A 29 42,-1.8 42,-2.8 -2,-0.1 2,-0.4 -0.944 27.8-105.6-136.5 151.8 -5.0 52.9 43.5 96 99 A I E -G 136 0A 29 -2,-0.3 2,-0.3 40,-0.2 40,-0.3 -0.633 51.4-111.7 -69.4 129.8 -8.0 53.2 45.8 97 100 A I + 0 0 7 38,-3.1 38,-0.3 -2,-0.4 2,-0.3 -0.530 51.9 153.1 -76.1 128.6 -9.4 49.6 46.1 98 101 A T > - 0 0 54 -2,-0.3 4,-2.3 -3,-0.0 5,-0.2 -0.815 63.0 -85.7-137.1 176.6 -12.8 49.0 44.4 99 102 A D H > S+ 0 0 117 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.857 129.0 54.7 -55.7 -36.6 -14.5 46.0 42.9 100 103 A E H > S+ 0 0 127 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 106.8 49.0 -63.3 -45.6 -12.7 46.7 39.7 101 104 A I H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.928 110.5 51.4 -63.6 -43.8 -9.2 46.7 41.3 102 105 A I H X S+ 0 0 10 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.931 110.5 48.3 -57.6 -46.5 -10.0 43.4 43.0 103 106 A D H X S+ 0 0 84 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.904 113.5 48.0 -59.6 -42.9 -11.0 41.8 39.7 104 107 A N H X S+ 0 0 42 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.854 108.9 51.6 -70.5 -36.2 -7.8 43.2 38.1 105 108 A I H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.905 111.1 50.3 -63.8 -39.6 -5.5 41.9 40.9 106 109 A R H < S+ 0 0 119 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.905 106.5 55.3 -64.5 -39.0 -7.2 38.5 40.4 107 110 A R H < S+ 0 0 178 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 114.5 38.3 -59.4 -38.6 -6.6 38.7 36.6 108 111 A V H >< S+ 0 0 10 -4,-1.5 3,-2.0 1,-0.2 4,-0.4 0.503 89.9 96.0 -92.5 -6.2 -2.8 39.2 37.1 109 112 A S G >< + 0 0 0 -4,-0.8 3,-1.7 -3,-0.5 7,-0.3 0.774 68.5 70.3 -61.1 -31.0 -2.5 36.8 40.0 110 113 A P G 3 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.765 91.5 63.1 -55.1 -23.7 -1.4 33.9 37.8 111 114 A L G < S+ 0 0 36 -3,-2.0 -2,-0.2 1,-0.3 -24,-0.1 0.732 123.3 16.8 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31,-0.1 4,-0.3 0.623 88.0 84.5 -98.5 -18.5 5.8 46.1 40.1 142 145 A S G X4 S+ 0 0 9 -3,-0.6 3,-1.8 1,-0.3 4,-0.2 0.854 81.2 59.1 -66.6 -37.7 4.2 49.4 39.3 143 146 A F G >< S+ 0 0 20 -4,-0.5 72,-0.7 1,-0.3 3,-0.6 0.822 105.1 54.2 -56.0 -31.0 7.3 51.7 39.5 144 147 A H G X S+ 0 0 0 -3,-1.1 3,-1.8 1,-0.2 -1,-0.3 0.402 77.4 95.0 -88.7 0.9 8.9 49.5 36.7 145 148 A Q G < S+ 0 0 34 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.576 71.5 71.4 -71.9 -6.9 6.0 49.9 34.2 146 149 A T G < S+ 0 0 65 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.422 72.1 121.4 -82.4 -0.3 7.8 52.8 32.6 147 150 A L < - 0 0 8 -3,-1.8 69,-0.1 22,-0.1 70,-0.1 -0.425 65.6-122.0 -62.8 137.6 10.4 50.3 31.2 148 151 A A >> - 0 0 40 68,-0.4 3,-1.5 -2,-0.1 4,-1.4 -0.425 24.7-107.4 -74.4 154.8 10.7 50.3 27.4 149 152 A P H 3> S+ 0 0 59 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.861 120.1 57.9 -50.0 -42.9 10.0 47.1 25.4 150 153 A E H 34 S+ 0 0 164 1,-0.2 -3,-0.0 2,-0.2 -2,-0.0 0.779 111.8 43.0 -60.8 -25.8 13.7 46.6 24.6 151 154 A A H <4 S+ 0 0 23 -3,-1.5 67,-0.2 1,-0.1 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145.8 54.3 22.8 11.0 46.2 45.1 173 176 A G H > + 0 0 1 -33,-2.0 4,-2.2 1,-0.2 5,-0.2 0.840 64.3 52.7 -61.5 -33.9 9.3 49.0 43.1 174 177 A T H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 112.9 44.9 -68.6 -39.3 8.0 50.6 46.3 175 178 A S H > S+ 0 0 0 2,-0.2 4,-3.0 -3,-0.2 5,-0.3 0.934 113.6 48.7 -66.9 -47.8 11.5 50.7 47.8 176 179 A H H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.881 113.8 48.1 -61.3 -37.4 13.1 51.9 44.5 177 180 A R H X S+ 0 0 57 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.966 114.7 43.8 -66.7 -53.3 10.5 54.6 44.2 178 181 A Y H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.939 116.5 46.7 -57.3 -49.8 10.8 55.8 47.8 179 182 A V H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.894 110.2 51.8 -68.2 -39.6 14.6 55.8 47.8 180 183 A S H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.904 110.2 50.1 -60.8 -40.8 15.0 57.5 44.5 181 184 A R H X S+ 0 0 65 -4,-2.1 4,-1.0 1,-0.2 3,-0.3 0.916 110.9 48.6 -62.6 -45.2 12.7 60.3 45.7 182 185 A R H X S+ 0 0 67 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.854 106.4 59.2 -62.0 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215 A N T 3 S- 0 0 49 -18,-3.2 -1,-0.2 -2,-0.5 -17,-0.1 0.851 131.4 -48.2 50.7 39.6 14.7 61.5 35.1 213 216 A G T 3 S+ 0 0 6 1,-0.2 2,-0.4 -19,-0.2 -1,-0.3 0.290 118.7 105.7 88.8 -9.7 12.5 60.0 37.9 214 217 A Q E < S-J 211 0B 104 -3,-2.2 -3,-2.7 -68,-0.1 2,-0.3 -0.872 74.3-117.5-111.9 137.1 11.4 56.9 36.0 215 218 A S E +J 210 0B 0 -72,-0.7 -5,-0.2 -2,-0.4 3,-0.1 -0.544 37.8 166.6 -63.5 124.0 12.5 53.3 36.3 216 219 A V E + 0 0 14 -7,-2.6 -68,-0.4 1,-0.4 2,-0.3 0.507 64.4 14.5-119.4 -13.3 14.2 52.4 33.0 217 220 A D E +J 209 0B 30 -8,-1.1 -8,-2.2 -70,-0.1 -1,-0.4 -0.975 60.2 178.5-155.4 149.3 15.9 49.1 33.9 218 221 A T E -J 208 0B 1 -2,-0.3 -10,-0.2 -67,-0.2 -48,-0.1 -0.978 26.5-134.9-150.8 159.5 15.6 46.7 36.8 219 222 A S S S+ 0 0 2 -12,-1.7 -11,-0.1 -2,-0.3 -49,-0.1 0.757 77.9 80.5 -96.9 -28.0 17.3 43.4 37.6 220 223 A M - 0 0 2 -13,-0.3 7,-0.1 -49,-0.2 -2,-0.1 -0.375 66.8-155.0 -72.2 162.0 14.5 41.1 38.7 221 224 A G - 0 0 0 2,-2.1 -51,-2.5 -53,-0.2 -52,-2.1 0.230 52.9 -40.9-109.8-138.1 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35.1 50.4 232 235 A T S S+ 0 0 34 -29,-0.4 32,-2.3 34,-0.2 2,-0.4 0.413 118.1 92.9-122.4 -3.5 18.8 31.9 49.1 233 236 A R - 0 0 52 -30,-0.3 -3,-2.7 31,-0.1 28,-0.2 -0.777 64.9-143.1-100.0 138.7 18.1 32.7 45.4 234 237 A S - 0 0 20 26,-2.1 2,-0.2 -2,-0.4 -1,-0.1 0.810 28.5-157.7 -61.7 -35.4 20.6 32.0 42.7 235 238 A G + 0 0 2 -10,-0.5 -7,-0.2 25,-0.3 -1,-0.2 -0.481 61.7 12.9 72.9-159.0 20.1 35.1 40.6 236 239 A D S S+ 0 0 48 -9,-2.6 2,-0.3 -2,-0.2 -10,-0.1 -0.175 75.0 175.4 -46.9 127.9 21.0 34.9 36.9 237 240 A V - 0 0 71 4,-0.0 -2,-0.1 0, 0.0 2,-0.1 -0.980 37.4-107.0-144.9 128.1 21.7 31.3 35.9 238 241 A D > - 0 0 113 -2,-0.3 4,-1.9 1,-0.2 3,-0.3 -0.310 22.0-147.0 -46.7 119.0 22.5 29.8 32.4 239 242 A F H > S+ 0 0 146 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.844 100.6 58.2 -64.8 -30.2 19.4 28.0 31.2 240 243 A G H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 104.7 50.5 -62.3 -37.8 21.7 25.6 29.5 241 244 A A H > S+ 0 0 35 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.913 110.5 49.1 -64.4 -44.9 23.3 24.8 32.8 242 245 A M H X S+ 0 0 23 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.906 113.0 46.1 -63.8 -43.5 19.9 24.2 34.4 243 246 A A H X S+ 0 0 26 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.857 112.3 51.8 -65.8 -37.0 18.9 21.9 31.6 244 247 A W H X S+ 0 0 155 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.922 109.6 49.4 -64.2 -45.0 22.2 20.1 31.8 245 248 A I H X S+ 0 0 55 -4,-2.8 4,-2.6 2,-0.2 6,-0.4 0.923 107.8 55.1 -58.5 -46.3 21.7 19.6 35.5 246 249 A A H X S+ 0 0 28 -4,-2.2 4,-1.6 1,-0.2 5,-0.3 0.924 111.2 43.5 -53.2 -49.6 18.2 18.2 34.9 247 250 A K H < S+ 0 0 167 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.825 117.2 47.1 -65.5 -34.3 19.5 15.5 32.5 248 251 A E H < S+ 0 0 130 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.850 124.6 26.4 -79.7 -38.0 22.5 14.7 34.8 249 252 A T H < S- 0 0 78 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.474 99.4-122.4-105.7 -9.2 20.7 14.4 38.2 250 253 A G < + 0 0 63 -4,-1.6 2,-0.2 -5,-0.4 -3,-0.1 0.655 60.5 145.8 73.0 18.0 17.2 13.4 37.0 251 254 A Q - 0 0 56 -6,-0.4 -1,-0.2 -5,-0.3 2,-0.1 -0.526 41.1-131.8 -83.7 154.8 15.6 16.4 38.7 252 255 A T > - 0 0 74 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.426 29.1 -98.3 -97.1 174.3 12.5 18.2 37.2 253 256 A L H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.878 125.8 52.4 -58.5 -41.6 11.9 21.9 36.7 254 257 A S H > S+ 0 0 93 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.820 109.6 49.2 -65.2 -34.5 9.9 22.0 39.9 255 258 A D H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.928 114.9 43.8 -66.3 -46.1 12.8 20.4 41.8 256 259 A L H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.801 106.6 61.3 -73.1 -30.2 15.2 22.9 40.3 257 260 A E H X S+ 0 0 105 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.907 108.0 44.8 -57.0 -45.1 12.8 25.8 41.0 258 261 A R H X>S+ 0 0 117 -4,-1.3 4,-3.0 2,-0.2 5,-0.6 0.920 113.3 49.4 -66.8 -46.1 13.0 25.0 44.7 259 262 A V H X5S+ 0 0 33 -4,-2.0 4,-1.8 1,-0.2 5,-0.4 0.939 114.8 45.1 -54.9 -48.9 16.8 24.6 44.6 260 263 A V H <5S+ 0 0 16 -4,-2.8 -26,-2.1 1,-0.2 -25,-0.3 0.772 122.1 36.6 -70.3 -28.4 17.2 27.9 42.8 261 264 A N H <5S+ 0 0 37 -4,-1.6 -2,-0.2 -28,-0.2 -1,-0.2 0.818 132.4 19.4 -92.9 -35.9 14.7 29.8 45.1 262 265 A K H <5S+ 0 0 124 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.621 127.8 34.9-118.6 -17.9 15.4 28.2 48.5 263 266 A E S <> + 0 0 19 -32,-2.3 4,-1.8 -5,-0.4 3,-0.7 -0.037 66.5 42.7-108.2-163.1 20.9 28.7 46.4 265 268 A G H 3> S- 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.3 -0.220 121.2 -8.7 65.5-143.5 22.7 32.1 46.7 266 269 A L H 3> S+ 0 0 1 -36,-2.9 4,-2.2 1,-0.2 6,-0.4 0.908 143.6 47.2 -57.0 -44.1 24.6 33.0 49.8 267 270 A L H <> S+ 0 0 54 -36,-2.8 4,-2.8 -3,-0.7 5,-0.4 0.957 113.4 48.4 -57.5 -52.9 23.2 29.9 51.5 268 271 A G H < S+ 0 0 35 -4,-1.8 -2,-0.2 -37,-0.3 -1,-0.2 0.870 117.1 38.3 -61.5 -45.3 24.0 27.7 48.6 269 272 A I H < S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.938 122.7 41.2 -72.1 -46.2 27.6 28.8 48.0 270 273 A S H < S- 0 0 1 -4,-2.2 -2,-0.2 -5,-0.3 20,-0.2 0.845 85.5-148.9 -71.1 -34.6 28.6 29.1 51.7 271 274 A G S < S+ 0 0 53 -4,-2.8 -3,-0.1 -5,-0.3 -4,-0.1 0.646 82.1 76.1 67.5 17.5 26.8 26.0 52.9 272 275 A L S S- 0 0 85 -6,-0.4 2,-0.3 -5,-0.4 -5,-0.1 0.742 98.3 -28.2-120.1 -59.8 26.4 28.0 56.2 273 276 A S - 0 0 23 -7,-0.3 -1,-0.3 -6,-0.1 -3,-0.2 -0.988 30.5-131.7-164.9 152.9 23.7 30.7 56.1 274 277 A S S S+ 0 0 38 -2,-0.3 2,-0.4 -8,-0.1 -8,-0.1 0.537 82.8 103.6 -80.7 -13.8 21.7 33.1 54.0 275 278 A D > - 0 0 43 1,-0.2 4,-2.1 -9,-0.1 5,-0.1 -0.601 62.9-154.6 -81.3 122.7 22.6 35.7 56.6 276 279 A L H > S+ 0 0 12 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.880 94.1 56.1 -64.2 -37.6 25.3 38.2 55.6 277 280 A R H > S+ 0 0 187 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 108.1 48.3 -60.7 -44.1 26.3 38.9 59.2 278 281 A V H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.945 115.8 44.7 -57.4 -47.7 26.9 35.2 59.8 279 282 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.864 109.0 55.1 -70.0 -37.6 28.9 35.0 56.6 280 283 A E H X S+ 0 0 54 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.912 113.2 43.2 -58.0 -44.7 30.9 38.2 57.3 281 284 A K H X S+ 0 0 49 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.910 111.4 54.7 -67.7 -42.7 31.9 36.8 60.7 282 285 A A H <>S+ 0 0 12 -4,-2.5 5,-2.6 2,-0.2 -2,-0.2 0.905 109.8 46.5 -56.7 -45.3 32.7 33.3 59.1 283 286 A W H ><5S+ 0 0 63 -4,-2.6 3,-2.7 3,-0.2 -1,-0.2 0.949 107.9 56.2 -61.1 -49.4 35.0 35.0 56.6 284 287 A H H 3<5S+ 0 0 171 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.864 107.2 51.3 -47.2 -39.8 36.6 37.0 59.4 285 288 A E T 3<5S- 0 0 163 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.247 129.8 -95.8 -85.9 11.1 37.3 33.5 61.0 286 289 A G T < 5 + 0 0 62 -3,-2.7 2,-0.6 1,-0.2 -3,-0.2 0.589 66.9 157.3 88.9 14.0 38.9 32.1 57.8 287 290 A H >< - 0 0 69 -5,-2.6 4,-1.6 1,-0.2 -1,-0.2 -0.619 24.9-163.4 -76.1 115.4 35.9 30.3 56.2 288 291 A E H > S+ 0 0 105 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.885 84.4 49.0 -72.6 -41.9 36.8 30.1 52.5 289 292 A R H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.826 109.3 53.8 -69.2 -30.3 33.3 29.3 51.1 290 293 A A H > S+ 0 0 0 2,-0.2 4,-2.0 -20,-0.2 -1,-0.2 0.914 110.4 47.5 -64.9 -44.5 31.8 32.2 53.1 291 294 A R H X S+ 0 0 82 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.917 112.0 49.9 -60.9 -44.9 34.4 34.5 51.5 292 295 A L H X S+ 0 0 75 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.872 109.5 51.6 -62.8 -38.5 33.6 33.0 48.0 293 296 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.910 113.4 44.1 -64.3 -43.1 29.8 33.6 48.6 294 297 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.911 114.2 48.5 -70.1 -44.1 30.4 37.2 49.6 295 298 A K H X S+ 0 0 87 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.891 113.9 47.4 -61.9 -41.7 32.9 37.9 46.7 296 299 A T H X S+ 0 0 44 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.925 112.2 50.5 -62.5 -46.6 30.5 36.3 44.2 297 300 A F H X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.909 113.9 44.5 -54.9 -49.4 27.6 38.4 45.8 298 301 A V H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.894 110.6 54.3 -65.6 -43.9 29.6 41.6 45.4 299 302 A H H X S+ 0 0 85 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.899 109.2 47.2 -58.4 -44.3 30.8 40.8 41.9 300 303 A R H X S+ 0 0 81 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.802 111.5 51.9 -71.4 -30.4 27.2 40.3 40.6 301 304 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.922 110.5 47.2 -66.8 -46.9 26.1 43.5 42.3 302 305 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.920 112.1 51.7 -60.5 -43.3 28.9 45.5 40.7 303 306 A R H X S+ 0 0 174 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.883 113.2 43.1 -63.8 -44.3 28.2 44.0 37.3 304 307 A H H X S+ 0 0 38 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.875 112.3 53.0 -71.8 -34.6 24.4 44.8 37.5 305 308 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.964 114.2 42.1 -63.0 -50.2 25.0 48.3 38.8 306 309 A A H X S+ 0 0 36 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.916 115.7 50.4 -61.7 -43.9 27.4 49.1 35.9 307 310 A G H >< S+ 0 0 39 -4,-2.1 3,-0.9 -5,-0.2 4,-0.2 0.884 109.0 50.3 -61.5 -41.6 25.1 47.4 33.4 308 311 A H H >< S+ 0 0 5 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.797 98.3 68.2 -68.3 -29.1 22.0 49.3 34.6 309 312 A A H >< S+ 0 0 16 -4,-1.6 3,-2.3 1,-0.3 -1,-0.2 0.766 83.1 74.5 -59.3 -27.3 23.9 52.5 34.3 310 313 A A T << S+ 0 0 85 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.766 89.1 59.4 -57.6 -26.8 23.9 51.9 30.5 311 314 A S T < S+ 0 0 32 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.387 95.7 80.8 -84.8 5.5 20.2 52.9 30.6 312 315 A L < - 0 0 16 -3,-2.3 3,-0.2 1,-0.1 -117,-0.1 -0.802 68.0-149.7-104.6 151.9 21.2 56.4 32.0 313 316 A H S S+ 0 0 155 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.760 92.7 9.3 -80.2 -32.1 22.4 59.3 30.0 314 317 A R S S- 0 0 107 -3,-0.1 2,-0.7 -120,-0.1 -1,-0.4 -0.979 73.0-135.1-150.0 135.0 24.5 60.5 33.0 315 318 A L + 0 0 31 -2,-0.3 -119,-0.2 -3,-0.2 3,-0.1 -0.855 32.4 161.4 -95.7 111.7 25.2 58.7 36.3 316 319 A D + 0 0 24 -121,-3.0 54,-2.3 -2,-0.7 2,-0.3 0.778 60.3 6.5 -97.7 -34.5 24.7 61.1 39.2 317 320 A G E -ik 196 370B 0 -122,-1.5 -120,-1.9 52,-0.2 2,-0.4 -0.998 45.6-151.3-154.4 149.0 24.4 58.8 42.1 318 321 A I E -ik 197 371B 0 52,-2.4 54,-2.1 -2,-0.3 2,-0.5 -0.997 25.0-163.7-120.5 124.2 24.5 55.2 43.4 319 322 A I E -ik 198 372B 0 -122,-3.0 -120,-3.3 -2,-0.4 2,-0.4 -0.925 4.8-155.5-118.0 125.2 22.2 54.6 46.4 320 323 A F E +ik 199 373B 0 52,-2.6 54,-2.2 -2,-0.5 2,-0.3 -0.813 25.9 152.8 -98.5 140.0 22.4 51.6 48.7 321 324 A T E > +i 200 0B 0 -122,-2.4 -120,-2.9 -2,-0.4 4,-0.8 -0.906 22.3 66.2-155.5 179.2 19.4 50.4 50.7 322 325 A G H > S- 0 0 4 -2,-0.3 4,-3.2 -122,-0.2 5,-0.3 -0.131 98.1 -56.1 84.3 172.3 17.8 47.4 52.3 323 326 A G H > S+ 0 0 47 1,-0.2 4,-1.1 2,-0.2 -121,-0.2 0.849 141.3 35.3 -55.6 -40.0 19.1 45.5 55.3 324 327 A I H > S+ 0 0 19 -123,-2.4 4,-2.8 -3,-0.2 8,-0.2 0.893 118.9 49.2 -80.1 -45.4 22.4 44.8 53.6 325 328 A G H < S+ 0 0 0 -124,-1.5 -3,-0.2 -4,-0.8 -2,-0.2 0.840 117.1 43.1 -63.4 -34.0 22.8 48.1 51.8 326 329 A E H < S+ 0 0 23 -4,-3.2 -1,-0.2 -125,-0.3 -2,-0.2 0.807 128.7 23.6 -78.5 -34.3 21.9 50.0 55.0 327 330 A N H < S+ 0 0 99 -4,-1.1 2,-1.2 -5,-0.3 -2,-0.2 0.653 93.2 92.8-114.0 -20.0 24.1 48.0 57.4 328 331 A S X + 0 0 5 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 -0.655 39.0 175.9 -88.7 98.7 26.9 46.2 55.6 329 332 A V H > S+ 0 0 50 -2,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.921 82.7 49.1 -58.5 -45.1 30.0 48.5 55.7 330 333 A L H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.941 109.9 47.8 -64.4 -52.1 32.0 45.8 54.0 331 334 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 111.9 50.8 -60.0 -42.2 29.7 45.0 51.1 332 335 A R H X S+ 0 0 0 -4,-2.0 4,-2.4 -8,-0.2 -1,-0.2 0.939 113.4 45.8 -60.9 -45.1 29.2 48.6 50.3 333 336 A Q H X S+ 0 0 43 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.940 113.0 48.6 -64.1 -47.5 33.0 49.2 50.2 334 337 A L H X S+ 0 0 25 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.870 113.1 48.4 -60.5 -38.6 33.7 46.1 48.2 335 338 A V H < S+ 0 0 0 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.956 112.8 47.1 -65.6 -48.1 31.0 47.0 45.6 336 339 A I H >< S+ 0 0 3 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.908 111.3 51.1 -62.5 -40.2 32.2 50.5 45.3 337 340 A E H >< S+ 0 0 121 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.820 104.9 57.6 -66.8 -29.0 35.8 49.4 44.9 338 341 A H T 3< S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.507 103.8 56.6 -73.4 -4.5 34.6 47.0 42.2 339 342 A L T X > + 0 0 2 -3,-1.6 3,-1.8 -4,-0.3 5,-0.9 0.015 61.5 120.2-119.6 28.2 33.3 50.1 40.4 340 343 A G G X 5 + 0 0 46 -3,-1.0 3,-1.9 1,-0.3 -1,-0.1 0.768 65.8 73.6 -60.2 -24.8 36.4 52.2 40.1 341 344 A V G 3 5S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.756 94.6 52.1 -60.3 -25.7 35.9 52.0 36.3 342 345 A L G < 5S- 0 0 49 -3,-1.8 -1,-0.3 27,-0.0 -2,-0.2 0.376 123.1-107.4 -88.9 1.2 33.0 54.5 36.9 343 346 A G T < 5 + 0 0 19 -3,-1.9 25,-2.4 1,-0.2 26,-0.3 0.740 59.1 166.8 81.6 24.5 35.3 56.9 38.8 344 347 A L < - 0 0 16 -5,-0.9 2,-0.4 23,-0.2 -1,-0.2 -0.465 17.6-167.7 -72.6 138.9 33.9 56.2 42.3 345 348 A T - 0 0 57 24,-0.4 19,-2.6 19,-0.2 2,-0.3 -0.982 10.8-147.3-128.9 121.7 35.8 57.4 45.4 346 349 A L B -M 363 0C 26 -2,-0.4 2,-0.8 17,-0.3 17,-0.3 -0.657 8.5-147.9 -86.8 136.9 34.7 56.1 48.8 347 350 A D > - 0 0 61 15,-2.9 4,-2.5 -2,-0.3 3,-0.2 -0.922 18.4-165.2 -97.7 102.1 35.0 58.2 52.0 348 351 A V H > S+ 0 0 66 -2,-0.8 4,-1.8 1,-0.2 -1,-0.1 0.801 82.5 55.4 -65.7 -34.6 35.7 55.3 54.3 349 352 A E H > S+ 0 0 135 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.926 112.3 44.2 -63.4 -42.2 35.0 57.2 57.6 350 353 A M H >4 S+ 0 0 72 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.901 112.6 52.8 -67.3 -38.0 31.6 58.1 56.2 351 354 A N H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 11,-0.3 -1,-0.2 0.804 102.8 59.1 -65.5 -27.9 31.1 54.5 55.0 352 355 A K H 3< S+ 0 0 46 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.722 79.7 110.5 -73.5 -21.7 31.9 53.2 58.5 353 356 A Q S << S- 0 0 54 -3,-0.8 7,-0.0 -4,-0.7 -3,-0.0 -0.264 72.1-119.1 -57.8 134.0 29.0 55.1 60.1 354 357 A P > - 0 0 73 0, 0.0 3,-2.0 0, 0.0 -27,-0.1 -0.228 29.9 -97.5 -70.8 168.6 26.2 52.9 61.3 355 358 A N G > S+ 0 0 33 1,-0.3 3,-2.3 2,-0.2 -28,-0.1 0.597 112.3 82.7 -68.1 -14.9 22.7 53.1 60.0 356 359 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.706 81.3 68.7 -55.1 -23.2 21.6 55.3 63.0 357 360 A H G < S- 0 0 105 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.493 90.5-168.1 -79.0 -3.9 23.1 58.1 60.9 358 361 A G < + 0 0 19 -3,-2.3 2,-0.4 -4,-0.1 -1,-0.2 -0.149 54.5 23.9 62.0-139.6 20.2 57.7 58.4 359 362 A E S S+ 0 0 60 15,-0.1 2,-0.3 16,-0.1 15,-0.2 -0.493 85.1 159.6 -69.9 116.6 20.3 59.3 55.0 360 363 A R E -L 373 0B 12 13,-2.5 13,-2.9 -2,-0.4 2,-0.4 -0.999 43.4-127.2-150.6 138.9 24.1 59.8 54.3 361 364 A I E +L 372 0B 64 -2,-0.3 11,-0.3 11,-0.3 -42,-0.0 -0.712 21.8 179.1 -86.4 134.7 26.6 60.4 51.6 362 365 A I + 0 0 0 9,-3.2 -15,-2.9 -2,-0.4 -11,-0.3 0.372 48.5 96.6-119.3 -0.3 29.5 57.9 51.6 363 366 A S B S-M 346 0C 13 8,-1.3 -17,-0.3 -17,-0.3 2,-0.1 -0.600 74.3-116.5 -89.3 152.3 31.5 59.1 48.6 364 367 A A > - 0 0 18 -19,-2.6 3,-1.4 -2,-0.2 -19,-0.2 -0.454 33.8-104.9 -77.2 162.0 34.6 61.4 48.8 365 368 A N T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.873 117.7 57.9 -61.5 -42.0 34.3 64.8 47.1 366 369 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.585 79.8 120.4 -63.2 -11.0 36.5 63.8 44.1 367 370 A S < - 0 0 16 -3,-1.4 -23,-0.2 -22,-0.2 -24,-0.1 -0.308 61.7-146.2 -55.4 133.9 34.1 61.0 43.3 368 371 A Q S S+ 0 0 158 -25,-2.4 2,-0.4 1,-0.1 -24,-0.2 0.761 89.3 39.5 -73.9 -24.5 32.6 61.3 39.8 369 372 A V S S- 0 0 8 -26,-0.3 -24,-0.4 -24,-0.0 2,-0.3 -0.980 89.2-122.6-124.6 136.4 29.4 59.8 41.1 370 373 A I E -k 317 0B 56 -54,-2.3 -52,-2.4 -2,-0.4 2,-0.4 -0.615 24.6-159.5 -76.7 134.6 27.9 60.4 44.5 371 374 A C E +k 318 0B 0 -2,-0.3 -9,-3.2 -54,-0.2 -8,-1.3 -0.971 18.9 165.9-114.6 138.0 27.4 57.3 46.6 372 375 A A E -kL 319 361B 0 -54,-2.1 -52,-2.6 -2,-0.4 2,-0.5 -0.923 34.4-132.2-144.8 159.0 24.9 57.4 49.5 373 376 A V E +kL 320 360B 0 -13,-2.9 -13,-2.5 -2,-0.3 -52,-0.2 -0.990 25.1 178.7-112.3 130.2 23.0 55.2 51.9 374 377 A I - 0 0 0 -54,-2.2 -52,-0.2 -2,-0.5 -15,-0.1 -0.945 27.6-129.9-133.3 108.6 19.3 55.9 52.2 375 378 A P - 0 0 27 0, 0.0 2,-0.1 0, 0.0 -54,-0.1 -0.394 26.8-127.2 -59.0 130.6 17.3 53.7 54.5 376 379 A T - 0 0 27 -2,-0.1 2,-0.1 1,-0.0 -201,-0.1 -0.395 23.8-174.2 -78.5 156.5 14.2 52.4 52.8 377 380 A N > + 0 0 47 -203,-0.1 4,-1.9 -202,-0.1 5,-0.1 -0.612 10.4 170.0-152.5 83.3 10.7 52.8 54.3 378 381 A E H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.855 80.2 55.8 -69.7 -35.7 8.2 50.9 52.2 379 382 A E H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 107.9 48.9 -63.1 -41.3 5.4 51.4 54.9 380 383 A K H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.911 110.6 50.8 -65.0 -42.1 6.0 55.2 54.8 381 384 A M H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.921 112.1 47.0 -60.4 -46.2 5.8 55.2 50.9 382 385 A I H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.922 112.4 50.2 -59.6 -45.4 2.5 53.2 51.1 383 386 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.908 109.9 50.0 -61.4 -44.2 1.2 55.6 53.7 384 387 A L H X S+ 0 0 70 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.879 110.6 49.5 -61.6 -41.8 2.1 58.6 51.6 385 388 A D H X S+ 0 0 15 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 113.5 47.5 -59.5 -43.6 0.3 57.1 48.5 386 389 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.900 109.4 52.6 -66.4 -43.1 -2.7 56.4 50.7 387 390 A I H < S+ 0 0 43 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.916 110.7 47.2 -60.5 -45.6 -2.7 59.9 52.2 388 391 A H H >< S+ 0 0 127 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.931 113.9 48.3 -58.2 -45.9 -2.6 61.5 48.7 389 392 A L H >< S+ 0 0 18 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.760 95.9 73.6 -68.9 -24.8 -5.5 59.2 47.6 390 393 A G T 3< S+ 0 0 32 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.688 91.9 57.5 -60.1 -20.8 -7.4 60.0 50.8 391 394 A N T < S+ 0 0 123 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.544 85.6 108.3 -83.8 -10.2 -8.2 63.4 49.2 392 395 A V < - 0 0 55 -3,-1.8 2,-0.8 -4,-0.2 -3,-0.0 -0.387 66.8-136.2 -74.2 143.1 -9.8 61.8 46.1 393 396 A K 0 0 199 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.876 360.0 360.0 -95.6 100.8 -13.6 62.0 45.5 394 397 A A 0 0 110 -2,-0.8 -1,-0.2 0, 0.0 -2,-0.0 0.604 360.0 360.0 -94.4 360.0 -14.4 58.4 44.3