==== 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 2E20 . 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) . 17826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.6 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 32.0 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 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 112 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 67.5 -5.5 62.3 65.1 2 5 A P - 0 0 59 0, 0.0 19,-2.2 0, 0.0 20,-0.4 -0.245 360.0-164.0 -67.8 150.6 -6.0 59.9 62.1 3 6 A V E -Ab 20 77A 2 73,-3.2 75,-1.9 17,-0.2 76,-1.2 -0.824 14.4-130.6-126.2 166.4 -3.7 56.9 61.4 4 7 A V E -Ab 19 79A 0 15,-2.9 15,-2.5 -2,-0.3 2,-0.6 -0.980 12.6-146.4-118.7 132.2 -3.0 54.6 58.4 5 8 A L E -Ab 18 80A 2 74,-2.2 76,-2.7 -2,-0.4 2,-0.4 -0.914 17.2-162.6 -96.5 116.6 -2.9 50.8 58.8 6 9 A V E -Ab 17 81A 5 11,-3.2 11,-2.0 -2,-0.6 2,-0.4 -0.852 7.6-170.5-102.3 137.1 -0.3 49.3 56.4 7 10 A I E -Ab 16 82A 1 74,-2.5 76,-2.5 -2,-0.4 2,-0.5 -0.988 21.6-176.5-132.4 131.7 -0.5 45.6 55.6 8 11 A N E -Ab 15 83A 44 7,-2.7 7,-2.2 -2,-0.4 2,-1.1 -0.949 14.5-169.7-121.4 109.1 1.8 43.2 53.8 9 12 A C E -A 14 0A 2 74,-0.5 5,-0.2 -2,-0.5 113,-0.2 -0.632 16.6-178.0-105.6 75.8 -0.0 39.9 53.7 10 13 A G - 0 0 13 -2,-1.1 3,-0.2 3,-0.6 112,-0.0 0.227 44.3 -84.4 -68.8-172.4 2.6 37.5 52.5 11 14 A S S S+ 0 0 65 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.800 125.7 10.9 -66.4 -30.0 2.5 33.7 51.8 12 15 A S S S+ 0 0 58 1,-0.1 23,-1.6 20,-0.1 22,-1.3 0.129 127.6 35.3-134.7 18.0 3.1 32.8 55.4 13 16 A S E - C 0 33A 19 -3,-0.2 -3,-0.6 20,-0.2 2,-0.4 -0.992 56.5-136.2-164.3 160.2 2.7 36.0 57.4 14 17 A I E -AC 9 32A 0 18,-2.7 18,-2.6 -2,-0.3 2,-0.4 -0.899 22.1-169.9-125.6 101.6 1.0 39.4 57.9 15 18 A K E +AC 8 31A 115 -7,-2.2 -7,-2.7 -2,-0.4 2,-0.3 -0.750 17.2 177.0 -81.8 136.5 3.4 42.2 58.6 16 19 A F E -AC 7 30A 3 14,-2.2 14,-1.7 -2,-0.4 2,-0.3 -0.966 17.1-174.7-140.1 159.9 1.6 45.3 59.7 17 20 A S E -AC 6 29A 15 -11,-2.0 -11,-3.2 -2,-0.3 2,-0.6 -0.991 17.7-143.8-150.1 148.8 2.2 48.9 60.9 18 21 A V E -AC 5 28A 0 10,-3.1 9,-3.3 -2,-0.3 10,-1.2 -0.958 24.1-172.0-115.7 113.0 0.2 51.8 62.1 19 22 A L E -AC 4 26A 1 -15,-2.5 -15,-2.9 -2,-0.6 2,-0.3 -0.836 25.4-118.7-107.5 142.4 1.5 55.2 61.0 20 23 A D E > -A 3 0A 28 5,-2.4 4,-2.4 -2,-0.4 -17,-0.2 -0.608 18.5-142.6 -76.0 136.2 0.3 58.6 62.1 21 24 A V T 4 S+ 0 0 37 -19,-2.2 -1,-0.1 -2,-0.3 -18,-0.1 0.884 95.4 51.2 -69.4 -39.3 -1.0 60.7 59.2 22 25 A A T 4 S+ 0 0 90 -20,-0.4 -1,-0.2 1,-0.2 -19,-0.1 0.824 132.2 12.1 -71.3 -33.1 0.3 64.0 60.3 23 26 A T T 4 S- 0 0 79 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.507 89.6-130.0-121.1 -12.6 3.9 62.9 60.9 24 27 A C < + 0 0 15 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.621 55.4 150.4 66.4 17.6 4.1 59.4 59.2 25 28 A D - 0 0 96 -5,-0.1 -5,-2.4 1,-0.1 2,-0.5 -0.496 53.3-108.7 -78.6 145.5 5.7 57.9 62.4 26 29 A V E +C 19 0A 83 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.652 37.5 171.2 -75.2 121.4 5.1 54.3 63.5 27 30 A L E S+ 0 0 98 -9,-3.3 2,-0.3 -2,-0.5 -1,-0.2 0.671 72.2 8.8 -96.8 -27.3 2.8 54.0 66.5 28 31 A M E +C 18 0A 1 -10,-1.2 -10,-3.1 2,-0.0 -1,-0.4 -0.987 64.3 173.3-153.2 146.6 2.4 50.2 66.3 29 32 A A E +C 17 0A 29 -2,-0.3 16,-0.7 -12,-0.3 2,-0.3 -0.933 11.1 143.5-146.7 168.3 4.0 47.4 64.4 30 33 A G E -CD 16 44A 15 -14,-1.7 -14,-2.2 -2,-0.3 2,-0.3 -0.980 33.9-121.3 174.3 177.9 3.9 43.6 64.4 31 34 A I E -CD 15 43A 44 12,-0.7 12,-1.8 -2,-0.3 2,-0.4 -0.862 6.6-155.0-150.6 110.0 3.9 40.3 62.5 32 35 A A E -CD 14 42A 2 -18,-2.6 -18,-2.7 -2,-0.3 2,-0.3 -0.744 36.3-176.3 -73.3 132.1 1.3 37.5 62.4 33 36 A D E +CD 13 41A 52 8,-2.9 8,-2.1 -2,-0.4 -20,-0.2 -0.937 45.9 41.5-142.5 155.0 3.4 34.5 61.5 34 37 A G S > S- 0 0 20 -22,-1.3 3,-1.1 -2,-0.3 -21,-0.2 0.865 76.3-168.9 73.9 40.2 3.1 30.7 60.7 35 38 A M T 3 + 0 0 14 -23,-1.6 -1,-0.1 1,-0.2 21,-0.1 -0.278 63.2 14.7 -70.8 147.6 -0.1 31.4 58.6 36 39 A N T 3 S+ 0 0 92 19,-1.2 -1,-0.2 1,-0.2 2,-0.2 0.692 111.5 108.7 61.1 24.1 -2.3 28.5 57.4 37 40 A T S < S- 0 0 44 -3,-1.1 17,-1.0 18,-0.3 18,-0.6 -0.754 82.4-113.1-127.9 167.7 -0.4 26.3 60.0 38 41 A E S S+ 0 0 81 1,-0.2 2,-1.0 -2,-0.2 16,-0.6 0.895 110.7 51.3 -67.3 -43.6 -1.0 24.6 63.4 39 42 A N S S+ 0 0 81 14,-0.2 2,-0.4 -4,-0.1 -1,-0.2 -0.698 75.4 159.2 -99.6 80.4 1.4 26.9 65.3 40 43 A A + 0 0 4 -2,-1.0 12,-3.9 -3,-0.3 2,-0.3 -0.887 11.1 172.3-107.1 132.5 0.3 30.4 64.3 41 44 A F E -DE 33 51A 80 -8,-2.1 -8,-2.9 -2,-0.4 2,-0.4 -0.881 28.5-138.2-139.8 168.8 1.2 33.4 66.5 42 45 A L E -DE 32 50A 12 8,-2.1 8,-1.5 -2,-0.3 2,-0.9 -0.900 15.7-173.7-136.0 99.7 1.0 37.3 66.6 43 46 A S E > -D 31 0A 20 -12,-1.8 -12,-0.7 -2,-0.4 3,-0.6 -0.778 5.5-166.8-103.0 93.6 4.1 39.2 68.0 44 47 A I E > S-D 30 0A 6 -2,-0.9 3,-1.5 4,-0.3 4,-0.4 -0.671 79.9 -18.2 -77.1 121.9 3.4 42.9 68.3 45 48 A N T 3 S- 0 0 98 -16,-0.7 -1,-0.2 -2,-0.5 -15,-0.1 0.683 114.6 -76.4 56.8 20.6 6.6 44.9 68.9 46 49 A G T < S+ 0 0 68 -3,-0.6 -1,-0.3 -15,-0.1 -2,-0.1 0.920 110.0 116.7 53.3 49.0 8.2 41.5 69.9 47 50 A D S < S+ 0 0 92 -3,-1.5 -2,-0.1 1,-0.1 -4,-0.1 0.745 75.8 8.9-118.0 -37.2 6.4 41.8 73.2 48 51 A K - 0 0 54 -4,-0.4 2,-1.9 -6,-0.1 -4,-0.3 -0.492 63.1-149.0-152.8 76.2 3.9 39.0 73.7 49 52 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.188 27.0-160.2 -46.0 77.3 4.0 36.2 71.1 50 53 A I E -E 42 0A 53 -2,-1.9 -8,-2.1 -8,-1.5 2,-0.1 -0.519 13.7-123.9 -73.0 122.4 0.3 35.5 71.5 51 54 A N E +E 41 0A 91 -2,-0.4 -10,-0.3 -10,-0.2 -1,-0.1 -0.413 33.0 171.8 -69.4 139.2 -0.7 32.0 70.2 52 55 A L - 0 0 32 -12,-3.9 -11,-0.1 -2,-0.1 3,-0.1 -0.330 21.8-165.2-140.7 49.0 -3.4 31.9 67.5 53 56 A A + 0 0 70 1,-0.2 -14,-0.2 -14,-0.1 -15,-0.2 -0.038 65.9 4.9 -50.1 135.9 -3.2 28.2 66.6 54 57 A H S S+ 0 0 79 -17,-1.0 2,-0.4 -16,-0.6 -1,-0.2 0.973 90.3 157.3 52.5 70.1 -4.9 27.1 63.3 55 58 A S - 0 0 11 -18,-0.6 -19,-1.2 -3,-0.1 -18,-0.3 -0.983 32.6-141.1-130.5 135.0 -5.9 30.6 62.1 56 59 A N > - 0 0 84 -2,-0.4 4,-2.0 -21,-0.1 5,-0.2 -0.116 41.5 -87.9 -79.9-177.2 -6.7 31.9 58.5 57 60 A Y H > S+ 0 0 36 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.803 129.2 48.3 -63.9 -32.1 -5.7 35.2 57.0 58 61 A E H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.808 107.7 54.9 -78.0 -31.2 -8.9 36.9 58.4 59 62 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.927 107.0 51.0 -63.8 -47.3 -8.4 35.4 61.9 60 63 A A H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.896 114.3 42.9 -56.1 -45.0 -4.9 37.0 62.0 61 64 A L H X S+ 0 0 2 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.807 110.8 54.8 -75.1 -31.3 -6.3 40.4 61.0 62 65 A K H X S+ 0 0 40 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.825 109.4 49.8 -67.7 -33.6 -9.3 40.1 63.4 63 66 A A H >X S+ 0 0 36 -4,-2.2 4,-1.8 2,-0.2 3,-0.7 0.976 114.2 43.6 -60.3 -57.6 -6.7 39.4 66.1 64 67 A I H 3X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.861 108.5 59.2 -56.7 -40.8 -4.8 42.5 65.0 65 68 A A H 3X S+ 0 0 15 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.859 106.6 47.7 -58.1 -38.0 -8.0 44.5 64.7 66 69 A F H S+ 0 0 0 -4,-1.8 5,-3.8 2,-0.2 6,-0.7 0.862 112.7 48.1 -67.6 -37.2 -5.8 48.3 67.8 69 72 A E H ><5S+ 0 0 128 -4,-1.2 3,-1.4 3,-0.2 -2,-0.2 0.821 104.1 58.7 -73.7 -33.1 -9.2 48.5 69.6 70 73 A K T 3<5S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.692 112.7 42.4 -64.2 -20.1 -7.5 47.5 72.9 71 74 A R T 3 5S- 0 0 93 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.086 116.0-115.0-112.8 19.7 -5.3 50.6 72.3 72 75 A D T < 5S+ 0 0 131 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.778 85.7 117.6 49.2 31.7 -8.2 52.8 71.1 73 76 A L >>< + 0 0 28 -5,-3.8 3,-3.1 -6,-0.1 4,-0.7 0.813 48.7 80.3 -91.4 -34.8 -6.6 53.0 67.7 74 77 A T G >4 S+ 0 0 34 -6,-0.7 3,-0.6 1,-0.3 -5,-0.1 0.763 91.7 52.2 -43.4 -36.8 -9.4 51.3 65.7 75 78 A D G 34 S+ 0 0 138 1,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.476 105.7 53.7 -87.5 -2.1 -11.4 54.5 65.5 76 79 A S G <4 S+ 0 0 42 -3,-3.1 -73,-3.2 -74,-0.1 2,-1.4 0.448 73.3 116.4-105.7 -3.1 -8.5 56.6 64.2 77 80 A V E << +b 3 0A 11 -4,-0.7 -73,-0.2 -3,-0.6 3,-0.1 -0.510 30.7 162.3 -65.0 91.8 -7.9 54.3 61.2 78 81 A A E + 0 0 49 -75,-1.9 56,-0.6 -2,-1.4 2,-0.3 0.690 63.8 20.5 -83.1 -23.0 -8.7 56.8 58.4 79 82 A L E -bf 4 134A 10 -76,-1.2 -74,-2.2 -3,-0.1 2,-0.4 -0.991 60.8-152.4-148.8 145.4 -6.9 54.8 55.7 80 83 A I E -bf 5 135A 0 54,-1.7 56,-2.7 -2,-0.3 2,-0.5 -0.995 12.0-159.1-124.3 130.0 -5.7 51.2 55.0 81 84 A G E -bf 6 136A 0 -76,-2.7 -74,-2.5 -2,-0.4 2,-0.5 -0.913 4.3-162.1-108.8 130.6 -2.7 50.5 52.7 82 85 A H E -bf 7 137A 4 54,-3.0 56,-3.0 -2,-0.5 2,-0.5 -0.949 12.8-140.6-113.7 130.6 -2.2 47.1 51.1 83 86 A R E -bf 8 138A 38 -76,-2.5 -74,-0.5 -2,-0.5 2,-0.4 -0.783 20.1-160.6 -85.0 124.1 1.1 45.9 49.6 84 87 A I E - f 0 139A 0 54,-3.0 56,-2.2 -2,-0.5 57,-0.2 -0.907 12.6-150.6-109.6 135.1 0.5 43.9 46.4 85 88 A A S S+ 0 0 21 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.936 79.0 16.5 -66.3 -49.0 3.1 41.5 45.1 86 89 A H + 0 0 0 26,-0.1 -1,-0.2 54,-0.1 26,-0.1 -0.990 45.2 174.2-138.8 125.3 2.3 41.7 41.4 87 90 A G >> - 0 0 0 -2,-0.4 4,-1.7 1,-0.3 3,-1.1 0.229 30.5-155.8-110.2 14.8 0.3 44.2 39.3 88 91 A G T 34 - 0 0 0 1,-0.2 -1,-0.3 20,-0.2 3,-0.1 -0.127 61.3 -44.5 40.9-137.9 1.1 42.8 35.8 89 92 A E T 34 S+ 0 0 88 1,-0.1 -1,-0.2 3,-0.0 3,-0.0 0.418 129.5 78.9 -95.1 -0.8 0.7 45.5 33.2 90 93 A L T <4 S+ 0 0 72 -3,-1.1 2,-0.5 14,-0.1 -2,-0.2 0.813 85.9 59.9 -80.2 -29.3 -2.7 46.7 34.6 91 94 A F < + 0 0 9 -4,-1.7 -4,-0.1 1,-0.1 -1,-0.1 -0.887 41.8 155.2-112.7 121.6 -1.2 48.8 37.5 92 95 A T S S+ 0 0 90 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.346 74.8 12.0-118.3 -2.6 1.2 51.7 36.9 93 96 A Q S S- 0 0 133 44,-0.0 2,-0.2 52,-0.0 -1,-0.2 -0.950 94.2 -69.3-161.2 174.4 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 -0.511 51.6-163.9 -77.8 146.6 -1.4 53.2 43.5 95 98 A V E -G 137 0A 29 42,-1.8 42,-3.0 -2,-0.2 2,-0.4 -0.949 28.1-107.6-135.9 147.0 -5.2 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 -0.625 52.0-112.6 -66.4 125.0 -8.2 53.2 45.7 97 100 A I + 0 0 4 38,-2.5 38,-0.3 -2,-0.4 2,-0.2 -0.512 52.7 153.2 -72.2 125.0 -9.4 49.6 46.1 98 101 A T > - 0 0 52 -2,-0.3 4,-2.2 0, 0.0 5,-0.2 -0.791 62.5 -85.3-135.0 176.5 -12.8 49.0 44.5 99 102 A D H > S+ 0 0 121 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.837 129.2 53.7 -55.0 -36.7 -14.6 45.9 42.9 100 103 A E H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 107.4 49.2 -63.4 -46.3 -12.8 46.7 39.6 101 104 A I H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.902 110.0 52.0 -62.2 -40.4 -9.3 46.7 41.3 102 105 A I H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.956 110.4 47.4 -61.4 -50.0 -10.1 43.4 43.0 103 106 A D H X S+ 0 0 73 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.869 114.0 48.6 -54.4 -43.3 -11.1 41.8 39.7 104 107 A N H X S+ 0 0 36 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.850 109.9 49.0 -70.6 -41.0 -7.9 43.2 38.1 105 108 A I H X S+ 0 0 0 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.863 112.3 51.6 -61.2 -37.4 -5.6 42.1 40.9 106 109 A R H < S+ 0 0 136 -4,-2.3 3,-0.4 -5,-0.3 -2,-0.2 0.866 107.1 52.9 -67.9 -36.4 -7.3 38.7 40.5 107 110 A R H < S+ 0 0 167 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 112.4 43.4 -65.0 -39.6 -6.7 38.8 36.7 108 111 A V H >< S+ 0 0 10 -4,-1.8 3,-1.8 1,-0.2 4,-0.3 0.528 89.0 96.1 -83.1 -6.6 -2.9 39.4 37.2 109 112 A S G >< + 0 0 0 -4,-0.6 3,-1.7 -3,-0.4 7,-0.3 0.772 67.2 68.9 -60.0 -34.1 -2.7 36.8 40.0 110 113 A P G 3 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.779 92.6 63.6 -54.4 -24.7 -1.5 33.9 37.8 111 114 A L G < S+ 0 0 42 -3,-1.8 -2,-0.2 1,-0.2 -24,-0.1 0.715 126.6 9.3 -71.1 -24.1 1.8 35.9 37.4 112 115 A A S <> S+ 0 0 15 -3,-1.7 4,-3.2 -4,-0.3 5,-0.3 -0.400 79.8 166.9-150.8 69.1 2.5 35.5 41.2 113 116 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.869 71.5 47.7 -65.0 -48.6 -0.1 33.0 42.5 114 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142.7 11.3 41.8 26.5 154 157 A Y - 0 0 61 12,-0.4 7,-0.1 -2,-0.2 -2,-0.1 -0.670 27.7-112.6 -89.4 160.6 13.0 38.5 26.8 155 158 A G S S+ 0 0 91 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 0.148 80.1 119.5 -80.3 19.4 14.6 37.0 23.7 156 159 A L S S- 0 0 91 1,-0.2 5,-0.1 10,-0.1 -2,-0.1 -0.321 82.5 -69.5 -71.2 164.2 11.9 34.2 23.6 157 160 A P >> - 0 0 80 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.299 48.0-115.5 -52.1 141.7 9.6 33.8 20.6 158 161 A W H >> S+ 0 0 171 1,-0.3 4,-2.0 2,-0.2 3,-0.9 0.781 110.6 71.7 -52.2 -33.0 7.2 36.7 20.4 159 162 A E H 3>>S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.9 0.896 91.2 56.9 -50.1 -45.8 4.3 34.3 21.1 160 163 A Y H <45S+ 0 0 114 -3,-1.3 6,-2.1 3,-0.2 4,-0.3 0.808 111.9 43.2 -61.6 -29.6 5.3 33.9 24.7 161 164 A F H + 0 0 22 -2,-0.2 4,-3.2 3,-0.1 5,-0.2 0.771 62.0 147.8 55.7 27.7 11.0 46.3 45.1 173 176 A G H > + 0 0 2 -33,-1.6 4,-2.3 1,-0.2 5,-0.2 0.868 64.6 49.5 -62.6 -40.9 9.1 49.0 43.2 174 177 A T H > S+ 0 0 1 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.902 115.2 44.4 -65.1 -43.3 7.9 50.8 46.4 175 178 A S H > S+ 0 0 0 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.965 114.5 48.2 -63.2 -52.8 11.4 50.8 47.9 176 179 A H H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.857 115.9 45.4 -56.5 -39.2 13.1 51.9 44.6 177 180 A R H X S+ 0 0 55 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.963 115.6 45.1 -67.6 -56.5 10.5 54.6 44.2 178 181 A Y H X S+ 0 0 17 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.955 116.3 45.9 -50.6 -55.8 10.7 55.8 47.8 179 182 A V H X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.865 112.1 50.4 -63.0 -39.9 14.5 55.7 47.9 180 183 A S H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.923 108.6 52.3 -64.8 -43.0 14.9 57.5 44.6 181 184 A R H X S+ 0 0 71 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.915 111.8 47.5 -56.6 -43.0 12.5 60.3 45.7 182 185 A R H X S+ 0 0 60 -4,-2.1 4,-2.2 -5,-0.2 3,-0.4 0.819 104.8 60.4 -67.5 -32.1 14.6 60.7 48.8 183 186 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.824 94.3 62.5 -65.5 -33.6 17.9 60.8 46.8 184 187 A Y H <>S+ 0 0 16 -4,-1.4 5,-2.3 -3,-0.3 4,-0.3 0.859 110.5 40.8 -62.6 -32.8 16.9 63.8 44.8 185 188 A E H 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103 -3,-2.1 -3,-2.5 -23,-0.2 2,-0.3 -0.918 75.5-116.1-118.5 135.5 11.4 57.0 36.0 215 218 A S E +J 210 0B 0 -72,-0.7 -5,-0.2 -2,-0.4 3,-0.1 -0.506 36.3 167.6 -62.6 125.0 12.5 53.4 36.2 216 219 A V E + 0 0 14 -7,-2.9 -68,-0.3 1,-0.4 2,-0.3 0.422 65.8 8.2-120.3 -4.5 14.2 52.5 32.9 217 220 A D E -J 209 0B 29 -8,-0.9 -8,-2.6 -70,-0.1 -1,-0.4 -0.902 59.7-179.8-169.7 147.8 15.8 49.1 33.9 218 221 A T E -J 208 0B 1 -2,-0.3 -10,-0.2 -10,-0.2 9,-0.0 -0.960 27.8-129.8-152.8 159.2 15.6 46.8 36.9 219 222 A S S S+ 0 0 2 -12,-2.0 -11,-0.1 -2,-0.3 -49,-0.1 0.818 79.1 81.1 -91.8 -34.1 17.3 43.4 37.7 220 223 A M - 0 0 2 -13,-0.3 -2,-0.2 -49,-0.2 7,-0.1 -0.256 65.9-154.7 -67.1 163.3 14.4 41.1 38.7 221 224 A G - 0 0 0 2,-2.3 -51,-2.8 -53,-0.1 -52,-2.1 0.245 52.0 -43.1-111.1-136.2 12.4 39.5 36.0 222 225 A M S S+ 0 0 44 -54,-0.3 -54,-0.1 -53,-0.2 -2,-0.1 0.801 136.4 23.5 -64.1 -34.4 8.9 38.1 35.5 223 226 A T S > S- 0 0 62 -54,-0.0 -2,-2.3 -52,-0.0 3,-1.0 -0.779 97.1-100.2-121.1 166.5 9.7 36.6 38.9 224 227 A P T 3 S+ 0 0 43 0, 0.0 -19,-0.2 0, 0.0 11,-0.1 0.423 104.5 87.6 -60.4 -0.8 12.1 37.6 41.8 225 228 A L T 3 S+ 0 0 31 9,-0.1 10,-0.3 10,-0.0 2,-0.2 0.589 70.1 87.4 -81.8 -11.0 14.5 34.9 40.5 226 229 A E S < S+ 0 0 50 -3,-1.0 2,-0.5 10,-0.1 -5,-0.1 -0.567 80.7 5.2 -92.1 153.1 16.4 37.0 37.9 227 230 A G S S+ 0 0 0 -2,-0.2 9,-3.0 -7,-0.1 -21,-0.1 -0.717 99.9 43.9 98.1-121.4 19.4 39.3 38.4 228 231 A L S S- 0 0 0 -2,-0.5 2,-0.3 -23,-0.3 -23,-0.2 -0.200 76.6-113.7 -64.7 147.5 21.4 39.5 41.6 229 232 A M + 0 0 6 68,-0.2 5,-0.2 67,-0.2 2,-0.2 -0.622 48.2 177.4 -68.9 142.3 22.4 36.6 43.7 230 233 A M - 0 0 0 3,-2.7 36,-2.4 -2,-0.3 37,-0.2 -0.545 42.9 -60.3-134.9-161.4 20.6 37.0 47.0 231 234 A G S S- 0 0 5 -28,-2.2 36,-2.9 -29,-0.3 37,-0.3 0.935 127.1 -8.1 -55.5 -59.4 20.0 35.2 50.4 232 235 A T S S+ 0 0 41 -29,-0.4 32,-2.4 33,-0.2 2,-0.4 0.383 117.8 92.4-118.9 -2.5 18.6 31.9 49.1 233 236 A R - 0 0 55 -30,-0.3 -3,-2.7 30,-0.2 28,-0.2 -0.813 64.6-144.5-102.5 136.7 18.2 32.8 45.4 234 237 A S - 0 0 20 26,-1.9 2,-0.2 -2,-0.4 -1,-0.1 0.735 30.3-150.8 -63.9 -30.4 20.9 32.1 42.8 235 238 A G + 0 0 1 -10,-0.3 -7,-0.2 25,-0.3 -1,-0.2 -0.497 62.7 10.5 78.8-158.7 20.2 35.1 40.6 236 239 A D S S- 0 0 47 -9,-3.0 2,-0.4 -2,-0.2 -10,-0.1 -0.258 74.9-179.7 -50.5 128.6 21.0 34.9 36.9 237 240 A V - 0 0 67 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.986 34.7-108.8-139.8 124.5 21.7 31.3 35.9 238 241 A D > - 0 0 115 -2,-0.4 4,-1.8 1,-0.2 3,-0.3 -0.317 21.8-148.3 -43.3 116.9 22.5 29.9 32.5 239 242 A F H > S+ 0 0 156 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.810 99.9 58.5 -63.9 -30.9 19.4 28.0 31.3 240 243 A G H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.849 104.5 51.0 -64.9 -35.4 21.8 25.6 29.5 241 244 A A H > S+ 0 0 36 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.908 110.2 48.7 -64.0 -45.8 23.4 24.9 32.8 242 245 A M H X S+ 0 0 27 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.866 112.2 48.2 -65.2 -38.7 20.0 24.1 34.4 243 246 A A H X S+ 0 0 42 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.842 110.8 51.7 -67.8 -36.0 19.1 21.8 31.5 244 247 A W H X S+ 0 0 156 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.854 109.1 50.0 -67.4 -40.2 22.5 20.0 31.8 245 248 A I H X S+ 0 0 53 -4,-2.2 4,-2.6 2,-0.2 6,-0.4 0.923 105.2 58.5 -62.1 -46.8 21.9 19.5 35.5 246 249 A A H X S+ 0 0 31 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.911 108.4 44.5 -48.7 -51.9 18.4 18.1 34.8 247 250 A K H < S+ 0 0 178 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 116.5 47.5 -59.7 -39.5 19.9 15.3 32.6 248 251 A E H < S+ 0 0 129 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.852 124.2 25.5 -77.5 -38.6 22.7 14.5 35.0 249 252 A T H < S- 0 0 81 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.412 98.5-120.0-108.1 -5.0 20.7 14.3 38.3 250 253 A G < + 0 0 64 -4,-1.5 -4,-0.1 -5,-0.3 -3,-0.1 0.399 61.6 150.5 77.9 -2.1 17.2 13.3 37.1 251 254 A Q - 0 0 60 -6,-0.4 -1,-0.2 -5,-0.1 2,-0.1 -0.244 37.9-133.9 -66.2 148.7 15.8 16.5 38.6 252 255 A T > - 0 0 70 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.408 28.0-101.6 -93.1 173.1 12.7 18.2 37.1 253 256 A L H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.934 125.4 51.5 -58.7 -46.7 12.1 21.9 36.3 254 257 A S H > S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 110.0 48.4 -54.5 -50.3 10.0 22.0 39.5 255 258 A D H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 113.8 46.0 -55.5 -50.0 12.8 20.5 41.6 256 259 A L H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.750 106.0 60.9 -70.2 -25.9 15.3 22.9 40.2 257 260 A E H X S+ 0 0 87 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.924 106.0 46.8 -61.9 -45.7 12.9 25.8 40.7 258 261 A R H X>S+ 0 0 42 -4,-1.7 4,-3.1 2,-0.2 5,-0.5 0.909 112.5 49.5 -64.0 -45.4 13.0 25.0 44.5 259 262 A V H X5S+ 0 0 37 -4,-1.8 4,-1.8 1,-0.2 5,-0.4 0.934 113.1 46.5 -55.6 -50.5 16.8 24.8 44.5 260 263 A V H <5S+ 0 0 14 -4,-2.4 -26,-1.9 1,-0.2 -25,-0.3 0.796 122.9 35.0 -64.6 -31.8 17.2 28.1 42.7 261 264 A N H <5S+ 0 0 29 -4,-1.7 -2,-0.2 -28,-0.2 -1,-0.2 0.775 131.8 20.9 -95.1 -32.5 14.7 29.9 44.9 262 265 A K H <5S+ 0 0 132 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.600 127.5 33.3-120.1 -17.0 15.2 28.3 48.4 263 266 A E S <> + 0 0 22 -32,-2.4 4,-1.8 -5,-0.4 3,-0.6 -0.102 66.2 50.0-107.5-164.1 20.9 28.8 46.5 265 268 A G H 3> S- 0 0 5 2,-0.3 4,-3.0 1,-0.2 5,-0.3 -0.340 119.4 -13.9 77.1-147.4 22.5 32.2 46.9 266 269 A L H 3> S+ 0 0 0 -36,-2.4 4,-2.1 2,-0.2 6,-0.4 0.924 145.4 47.6 -57.0 -45.6 24.5 33.2 50.0 267 270 A L H <> S+ 0 0 58 -36,-2.9 4,-2.6 -3,-0.6 5,-0.3 0.968 113.4 48.9 -55.5 -54.9 23.1 30.1 51.7 268 271 A G H < S+ 0 0 32 -4,-1.8 -2,-0.2 -37,-0.3 -1,-0.2 0.888 117.1 37.0 -57.6 -51.1 23.9 27.9 48.7 269 272 A I H < S+ 0 0 55 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.947 122.0 42.6 -70.0 -47.7 27.5 28.9 48.1 270 273 A S H < S- 0 0 1 -4,-2.1 20,-0.2 -5,-0.3 19,-0.2 0.850 85.5-147.0 -67.9 -40.3 28.5 29.3 51.8 271 274 A G S < S+ 0 0 50 -4,-2.6 -3,-0.1 -5,-0.3 -4,-0.1 0.535 82.4 74.0 77.0 10.6 26.8 26.2 53.2 272 275 A L S S- 0 0 85 -6,-0.4 2,-0.3 1,-0.3 -5,-0.1 0.780 98.7 -24.7-116.0 -60.4 26.3 28.2 56.4 273 276 A S - 0 0 23 -7,-0.3 -1,-0.3 -6,-0.1 -3,-0.2 -0.994 30.0-133.5-161.5 150.6 23.6 30.8 56.2 274 277 A S S S+ 0 0 38 -2,-0.3 2,-0.4 -8,-0.1 -8,-0.1 0.566 84.2 102.7 -76.8 -14.0 21.6 33.2 54.1 275 278 A D > - 0 0 45 1,-0.1 4,-1.5 -9,-0.1 5,-0.1 -0.583 63.0-155.5 -79.0 126.0 22.4 35.8 56.8 276 279 A L H > S+ 0 0 12 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.840 93.1 57.3 -71.3 -34.0 25.1 38.3 55.8 277 280 A R H > S+ 0 0 191 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 107.8 49.1 -60.2 -41.9 26.1 39.1 59.4 278 281 A V H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 115.1 44.4 -61.7 -41.3 26.8 35.4 60.0 279 282 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.816 107.4 56.8 -77.5 -34.9 28.9 35.2 56.8 280 283 A E H X S+ 0 0 57 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.911 113.4 42.5 -58.7 -43.3 30.8 38.4 57.5 281 284 A K H X S+ 0 0 44 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.906 111.1 55.2 -70.8 -43.1 31.9 36.9 60.8 282 285 A A H <>S+ 0 0 10 -4,-2.2 5,-2.9 2,-0.2 -2,-0.2 0.927 110.3 45.9 -53.8 -47.9 32.5 33.5 59.1 283 286 A W H ><5S+ 0 0 62 -4,-2.6 3,-2.3 1,-0.2 -1,-0.2 0.945 110.1 53.8 -60.2 -48.2 34.9 35.2 56.6 284 287 A H H 3<5S+ 0 0 167 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.860 106.7 53.4 -52.3 -38.2 36.5 37.1 59.5 285 288 A E T 3<5S- 0 0 160 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.218 129.7 -96.0 -84.4 14.8 37.1 33.6 61.1 286 289 A G T < 5 + 0 0 63 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.555 68.6 157.4 84.9 10.2 38.8 32.3 58.0 287 290 A H >< - 0 0 65 -5,-2.9 4,-1.0 -6,-0.2 -1,-0.2 -0.543 24.8-164.2 -72.4 125.0 35.8 30.5 56.4 288 291 A E H > S+ 0 0 108 -2,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.875 83.6 48.1 -82.6 -40.0 36.5 30.2 52.7 289 292 A R H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.808 110.6 53.7 -74.5 -27.9 33.1 29.4 51.3 290 293 A A H > S+ 0 0 0 -20,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 109.6 49.0 -64.8 -40.9 31.6 32.3 53.3 291 294 A R H X S+ 0 0 83 -4,-1.0 4,-1.7 1,-0.2 -2,-0.2 0.855 112.3 48.0 -68.2 -37.3 34.3 34.5 51.6 292 295 A L H X S+ 0 0 70 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.908 108.5 53.0 -68.6 -46.4 33.4 33.2 48.2 293 296 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.941 113.2 44.5 -54.5 -48.1 29.7 33.6 48.6 294 297 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.854 114.7 47.9 -66.1 -37.8 30.2 37.3 49.6 295 298 A K H X S+ 0 0 92 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.885 115.1 45.0 -71.3 -42.9 32.7 37.9 46.8 296 299 A T H X S+ 0 0 44 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.932 113.8 51.2 -60.1 -48.6 30.4 36.3 44.2 297 300 A F H X S+ 0 0 0 -4,-3.1 4,-1.6 -5,-0.3 -68,-0.2 0.924 113.3 44.5 -54.6 -51.5 27.5 38.3 45.8 298 301 A V H X S+ 0 0 5 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.851 110.9 54.4 -61.2 -41.3 29.5 41.6 45.5 299 302 A H H X S+ 0 0 87 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.843 108.3 47.8 -66.8 -37.6 30.7 40.8 41.9 300 303 A R H X S+ 0 0 75 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.821 112.4 50.1 -74.8 -32.4 27.2 40.3 40.6 301 304 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.935 111.4 47.9 -64.5 -50.5 26.0 43.5 42.3 302 305 A A H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.877 112.0 51.4 -55.0 -41.0 28.9 45.5 40.8 303 306 A R H X S+ 0 0 176 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.871 113.7 41.8 -71.0 -41.8 28.2 44.0 37.4 304 307 A H H X S+ 0 0 38 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.818 110.7 56.5 -73.3 -34.9 24.5 44.8 37.4 305 308 A I H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.980 113.5 40.8 -60.3 -51.0 25.0 48.3 38.8 306 309 A A H < S+ 0 0 35 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.874 116.0 51.3 -61.2 -41.4 27.3 49.1 35.9 307 310 A G H >< S+ 0 0 40 -4,-1.7 3,-0.8 1,-0.2 4,-0.2 0.852 108.9 48.7 -66.8 -39.2 25.1 47.4 33.5 308 311 A H H >< S+ 0 0 5 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.696 99.8 69.9 -70.8 -22.2 21.9 49.3 34.6 309 312 A A G >< S+ 0 0 19 -4,-1.2 3,-1.7 -5,-0.2 -1,-0.2 0.746 83.3 71.3 -63.5 -25.6 24.0 52.4 34.3 310 313 A A G < S+ 0 0 84 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.752 89.3 60.9 -64.1 -26.3 23.9 51.9 30.5 311 314 A S G < S+ 0 0 34 -3,-1.0 2,-0.3 -4,-0.2 -1,-0.3 0.380 93.8 83.4 -81.6 3.4 20.2 52.9 30.5 312 315 A L S < S- 0 0 19 -3,-1.7 3,-0.1 1,-0.1 -117,-0.1 -0.805 70.2-146.7-103.7 150.4 21.1 56.4 31.9 313 316 A H S S+ 0 0 100 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.712 92.4 3.4 -77.5 -25.4 22.3 59.4 29.9 314 317 A R S S- 0 0 93 -120,-0.1 2,-0.7 -3,-0.0 -1,-0.3 -0.959 72.1-128.7-159.4 143.8 24.5 60.4 32.9 315 318 A L + 0 0 32 -2,-0.3 -119,-0.2 1,-0.2 3,-0.1 -0.872 34.1 158.8-103.4 108.6 25.2 58.7 36.3 316 319 A D + 0 0 24 -121,-2.9 54,-2.1 -2,-0.7 2,-0.3 0.776 62.7 8.5 -94.4 -33.8 24.7 61.1 39.3 317 320 A G E -ik 196 370B 0 -122,-1.6 -120,-2.0 52,-0.2 2,-0.4 -0.999 42.4-155.0-155.0 148.2 24.3 58.6 42.1 318 321 A I E -ik 197 371B 0 52,-2.1 54,-2.1 -2,-0.3 2,-0.5 -1.000 26.4-164.7-117.8 125.4 24.4 55.1 43.4 319 322 A I E -ik 198 372B 0 -122,-3.0 -120,-3.3 -2,-0.4 2,-0.4 -0.960 5.4-153.8-116.9 128.1 22.1 54.6 46.4 320 323 A F E +ik 199 373B 0 52,-2.8 54,-2.2 -2,-0.5 2,-0.3 -0.813 26.1 154.8 -99.1 140.3 22.4 51.5 48.7 321 324 A T E > +i 200 0B 0 -122,-2.3 -120,-3.5 -2,-0.4 4,-0.7 -0.939 22.2 64.5-157.2 174.0 19.3 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 -0.215 97.3 -56.6 89.5 172.2 17.7 47.4 52.3 323 326 A G H > S+ 0 0 48 1,-0.2 4,-1.0 2,-0.2 -121,-0.2 0.887 141.6 36.4 -53.0 -45.0 18.9 45.4 55.4 324 327 A I H > S+ 0 0 19 -123,-2.1 4,-2.3 2,-0.2 8,-0.2 0.897 119.5 47.9 -75.2 -42.7 22.3 44.6 53.7 325 328 A G H < S+ 0 0 0 -124,-1.7 -2,-0.2 -4,-0.7 -3,-0.2 0.803 115.7 43.7 -72.9 -30.6 22.6 48.0 51.9 326 329 A E H < S+ 0 0 23 -4,-3.2 -1,-0.2 -125,-0.3 -2,-0.2 0.778 126.9 28.3 -77.8 -29.6 21.8 50.0 55.0 327 330 A N H < S+ 0 0 98 -4,-1.0 2,-1.1 -5,-0.3 -2,-0.2 0.598 91.2 92.1-115.4 -14.8 24.0 48.0 57.4 328 331 A S X + 0 0 4 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 -0.707 36.6 176.0 -95.9 95.8 27.0 46.4 55.7 329 332 A V H > S+ 0 0 47 -2,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.896 84.7 49.4 -54.9 -41.2 30.1 48.6 55.8 330 333 A L H > S+ 0 0 54 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.979 110.6 44.0 -66.7 -61.6 32.0 45.7 54.1 331 334 A I H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.928 113.3 52.5 -55.8 -46.6 29.7 44.9 51.2 332 335 A R H X S+ 0 0 1 -4,-2.0 4,-2.6 -8,-0.2 -1,-0.2 0.951 113.6 44.0 -51.6 -51.5 29.2 48.6 50.4 333 336 A Q H X S+ 0 0 42 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.887 113.6 49.9 -61.2 -42.8 32.9 49.1 50.3 334 337 A L H X S+ 0 0 27 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.956 112.8 46.7 -61.1 -51.0 33.7 46.0 48.3 335 338 A V H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.929 113.8 47.8 -56.2 -50.0 31.0 46.8 45.7 336 339 A I H >< S+ 0 0 4 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.851 110.4 51.3 -64.5 -34.3 32.2 50.4 45.3 337 340 A E H >< S+ 0 0 122 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.852 104.4 58.3 -70.8 -30.9 35.8 49.3 45.0 338 341 A H T 3< S+ 0 0 83 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.460 103.5 56.2 -70.8 -2.3 34.6 46.9 42.3 339 342 A L T X > + 0 0 2 -3,-1.2 3,-1.4 -4,-0.2 5,-1.0 -0.033 61.1 121.1-123.1 31.3 33.3 50.1 40.4 340 343 A G G X 5 + 0 0 46 -3,-1.0 3,-1.8 1,-0.3 -1,-0.1 0.773 66.6 72.2 -63.5 -25.9 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 0.804 95.1 52.1 -56.9 -31.7 35.9 52.0 36.4 342 345 A L G < 5S- 0 0 48 -3,-1.4 -1,-0.3 2,-0.0 -2,-0.2 0.395 123.8-105.7 -85.3 -0.5 33.0 54.4 36.9 343 346 A G T < 5 + 0 0 16 -3,-1.8 25,-2.1 1,-0.2 26,-0.3 0.651 61.9 162.0 86.9 19.7 35.2 56.8 38.9 344 347 A L < - 0 0 15 -5,-1.0 2,-0.4 23,-0.2 -1,-0.2 -0.473 19.6-170.4 -76.5 141.3 33.8 56.1 42.4 345 348 A T - 0 0 57 24,-0.4 19,-2.8 19,-0.2 22,-0.2 -0.977 13.9-145.7-131.7 115.8 35.8 57.1 45.5 346 349 A L B -M 363 0C 25 -2,-0.4 2,-0.7 17,-0.3 17,-0.3 -0.526 5.3-145.3 -79.4 145.5 34.6 55.8 48.9 347 350 A D > - 0 0 60 15,-2.3 4,-3.0 -2,-0.2 5,-0.2 -0.947 14.6-165.5-106.8 107.3 35.0 57.8 52.1 348 351 A V H > S+ 0 0 65 -2,-0.7 4,-2.1 2,-0.2 -1,-0.1 0.823 84.7 55.1 -72.8 -32.5 35.6 55.1 54.6 349 352 A E H > S+ 0 0 136 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.924 115.1 42.2 -60.1 -42.9 35.0 57.2 57.7 350 353 A M H >4 S+ 0 0 74 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.899 115.0 49.9 -69.0 -40.3 31.6 58.0 56.1 351 354 A N H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 11,-0.2 -1,-0.2 0.781 103.5 61.4 -68.4 -25.3 31.1 54.4 55.1 352 355 A K H 3< S+ 0 0 47 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.785 80.0 107.1 -69.1 -29.1 32.0 53.1 58.6 353 356 A Q S << S- 0 0 58 -4,-0.8 -3,-0.0 -3,-0.6 -4,-0.0 -0.185 72.1-119.2 -56.8 136.1 29.0 55.0 60.2 354 357 A P > - 0 0 73 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.149 32.0 -95.1 -69.7 174.3 26.1 52.8 61.4 355 358 A N G > S+ 0 0 35 1,-0.3 3,-2.5 2,-0.2 -28,-0.1 0.684 112.4 83.4 -68.7 -17.9 22.5 53.0 60.0 356 359 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.718 80.7 66.6 -53.2 -25.2 21.6 55.3 63.0 357 360 A H G < S- 0 0 101 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.471 92.1-165.2 -80.7 -3.6 23.1 58.1 60.9 358 361 A G < + 0 0 20 -3,-2.5 -1,-0.2 -4,-0.1 15,-0.2 -0.108 54.2 20.3 65.8-147.2 20.3 57.7 58.4 359 362 A E S S+ 0 0 61 15,-0.1 2,-0.3 16,-0.1 15,-0.2 -0.398 85.5 156.4 -59.8 124.2 20.3 59.2 54.9 360 363 A R E -L 373 0B 12 13,-2.5 13,-2.8 -2,-0.2 2,-0.3 -0.993 44.8-121.2-159.8 140.5 24.0 59.8 54.3 361 364 A I E -L 372 0B 64 -2,-0.3 11,-0.3 11,-0.2 -42,-0.0 -0.638 21.7-177.2 -85.1 142.5 26.6 60.3 51.6 362 365 A I + 0 0 0 9,-3.0 -15,-2.3 -2,-0.3 2,-0.3 0.125 49.2 92.4-129.8 20.1 29.5 57.8 51.7 363 366 A S B S-M 346 0C 14 8,-0.6 -17,-0.3 -17,-0.3 7,-0.1 -0.840 71.2-114.0-117.3 154.1 31.8 59.0 48.8 364 367 A A - 0 0 22 -19,-2.8 -19,-0.2 -2,-0.3 7,-0.1 -0.149 33.3-104.5 -73.6 175.1 34.7 61.3 48.7 365 368 A N S S+ 0 0 163 1,-0.2 -1,-0.1 5,-0.1 -18,-0.0 0.901 117.8 55.9 -70.2 -46.0 34.7 64.7 46.8 366 369 A P S S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.740 81.5 116.7 -55.8 -26.4 36.9 63.5 43.8 367 370 A S - 0 0 15 -22,-0.2 -23,-0.2 1,-0.2 -24,-0.1 -0.221 61.4-149.8 -47.7 126.7 34.3 60.8 43.3 368 371 A Q S S+ 0 0 156 -25,-2.1 2,-0.4 1,-0.1 -24,-0.2 0.666 85.3 44.7 -75.9 -19.3 32.6 61.3 39.9 369 372 A V S S- 0 0 8 -26,-0.3 -24,-0.4 -24,-0.0 2,-0.3 -0.989 87.2-125.1-124.4 136.1 29.4 59.7 41.2 370 373 A I E -k 317 0B 55 -54,-2.1 -52,-2.1 -2,-0.4 2,-0.4 -0.634 24.9-160.5 -73.9 134.1 27.8 60.4 44.6 371 374 A C E +k 318 0B 0 -2,-0.3 -9,-3.0 -54,-0.2 -8,-0.6 -0.965 17.8 168.0-113.6 140.8 27.3 57.3 46.6 372 375 A A E -kL 319 361B 0 -54,-2.1 -52,-2.8 -2,-0.4 2,-0.5 -0.966 34.1-132.6-147.7 158.5 24.8 57.2 49.5 373 376 A V E +kL 320 360B 0 -13,-2.8 -13,-2.5 -2,-0.3 -52,-0.2 -0.967 25.5 178.3-109.5 133.8 23.0 55.1 51.9 374 377 A I - 0 0 0 -54,-2.2 -52,-0.2 -2,-0.5 2,-0.2 -0.931 27.6-130.5-137.1 106.3 19.2 55.8 52.2 375 378 A P - 0 0 28 0, 0.0 -16,-0.1 0, 0.0 -54,-0.1 -0.409 27.9-128.3 -54.6 125.5 17.2 53.7 54.5 376 379 A T - 0 0 27 -2,-0.2 2,-0.1 1,-0.0 -201,-0.1 -0.328 21.5-169.9 -74.5 159.5 14.1 52.5 52.7 377 380 A N > + 0 0 50 -203,-0.1 4,-2.0 -202,-0.1 3,-0.3 -0.542 13.9 167.1-151.4 78.2 10.6 52.9 54.2 378 381 A E H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 79.2 55.1 -66.0 -37.8 8.0 51.0 52.2 379 382 A E H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.825 109.9 47.4 -64.3 -34.7 5.3 51.4 54.8 380 383 A K H > S+ 0 0 63 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.855 110.1 51.7 -75.2 -38.4 5.8 55.1 54.7 381 384 A M H X S+ 0 0 15 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.914 111.2 48.5 -62.9 -43.0 5.7 55.2 51.0 382 385 A I H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.915 112.7 48.1 -61.7 -43.9 2.4 53.2 51.1 383 386 A A H X S+ 0 0 0 -4,-1.8 4,-3.5 2,-0.2 -2,-0.2 0.892 108.6 52.8 -66.0 -42.6 1.0 55.6 53.7 384 387 A L H X S+ 0 0 70 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.863 110.9 48.0 -59.8 -38.0 2.0 58.7 51.7 385 388 A D H X S+ 0 0 18 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.890 113.2 48.5 -65.5 -42.3 0.2 57.2 48.7 386 389 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.937 109.9 51.3 -62.9 -49.3 -2.8 56.5 50.9 387 390 A I H >< S+ 0 0 40 -4,-3.5 3,-0.7 1,-0.2 4,-0.4 0.938 111.3 47.3 -53.9 -53.7 -2.8 60.0 52.4 388 391 A H H >< S+ 0 0 127 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.909 112.3 50.0 -51.4 -48.4 -2.8 61.6 48.9 389 392 A L H >< S+ 0 0 23 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.671 95.3 72.9 -70.0 -18.0 -5.6 59.2 47.8 390 393 A G T << S+ 0 0 30 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.661 93.3 56.1 -66.5 -17.3 -7.6 60.2 50.9 391 394 A N T < S+ 0 0 125 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.443 90.9 100.4 -89.8 -2.2 -8.2 63.6 49.2 392 395 A V < - 0 0 52 -3,-1.2 2,-0.6 -4,-0.1 -3,-0.0 -0.433 68.9-130.6 -86.7 155.5 -9.7 62.0 46.1 393 396 A K 0 0 187 1,-0.1 -2,-0.1 -2,-0.1 -3,-0.0 -0.932 360.0 360.0-108.0 112.6 -13.5 61.6 45.2 394 397 A A 0 0 112 -2,-0.6 -1,-0.1 0, 0.0 0, 0.0 0.700 360.0 360.0-109.0 360.0 -14.6 58.1 44.1