==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUL-12 4FWP . COMPND 2 MOLECULE: PROPIONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.CHITTORI,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) . 17989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 74.6 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 . 1 0.3 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 . 28 7.1 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 . 7 1.8 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 2 0 0 2 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 2 1 1 2 0 2 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 0 113 0, 0.0 2,-0.0 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 81.7 51.9 36.0 20.5 2 5 A P - 0 0 62 0, 0.0 19,-2.1 0, 0.0 20,-0.4 -0.277 360.0-159.6 -72.2 155.0 49.5 35.3 17.5 3 6 A V E -Ab 20 77A 4 73,-3.3 75,-2.0 17,-0.2 76,-1.3 -0.912 13.4-132.9-131.4 159.0 47.9 32.0 16.7 4 7 A V E -Ab 19 79A 1 15,-3.0 15,-2.7 -2,-0.3 2,-0.7 -0.948 15.0-146.4-110.6 132.6 46.3 30.2 13.7 5 8 A L E -Ab 18 80A 8 74,-2.4 76,-2.8 -2,-0.4 2,-0.5 -0.895 14.8-160.6 -99.3 114.5 43.0 28.4 14.1 6 9 A V E -Ab 17 81A 5 11,-3.4 11,-2.1 -2,-0.7 2,-0.4 -0.840 7.3-167.4-100.5 127.5 42.8 25.3 11.9 7 10 A I E +Ab 16 82A 17 74,-3.3 76,-2.4 -2,-0.5 2,-0.4 -0.940 14.4 179.8-120.6 133.4 39.4 23.8 11.1 8 11 A N E -A 15 0A 48 7,-2.0 7,-2.9 -2,-0.4 2,-0.8 -0.857 9.6-166.2-132.2 98.8 38.5 20.5 9.5 9 12 A C E -A 14 0A 3 74,-0.4 5,-0.2 -2,-0.4 110,-0.1 -0.769 15.3-177.2 -86.2 109.8 34.7 19.9 9.1 10 13 A G - 0 0 11 3,-2.0 -1,-0.0 -2,-0.8 75,-0.0 -0.074 46.0 -82.3 -87.8-165.5 34.2 16.2 8.3 11 14 A S S S+ 0 0 77 1,-0.2 3,-0.0 -2,-0.0 -2,-0.0 0.796 126.3 7.6 -71.0 -30.7 30.9 14.4 7.5 12 15 A S S S+ 0 0 55 22,-0.0 23,-2.8 24,-0.0 22,-0.6 0.170 127.1 45.6-137.9 16.9 30.0 14.0 11.2 13 16 A S - 0 0 20 21,-0.2 -3,-2.0 20,-0.2 2,-0.4 -0.953 58.6-135.6-153.7 166.1 32.7 16.1 13.1 14 17 A I E -A 9 0A 7 18,-0.3 18,-1.8 -2,-0.3 2,-0.6 -0.881 23.2-166.9-129.7 101.6 34.7 19.3 13.4 15 18 A K E +AC 8 31A 62 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.3 -0.800 16.3 178.0 -90.1 118.7 38.3 18.7 14.1 16 19 A F E -AC 7 30A 5 14,-1.7 14,-2.3 -2,-0.6 2,-0.3 -0.871 13.9-175.3-123.4 155.8 40.1 21.9 15.1 17 20 A S E -AC 6 29A 15 -11,-2.1 -11,-3.4 -2,-0.3 2,-0.5 -0.995 16.6-145.2-147.0 146.7 43.6 22.9 16.2 18 21 A V E -AC 5 28A 2 10,-3.2 9,-3.2 -2,-0.3 10,-1.3 -0.964 23.4-173.0-114.5 120.0 45.3 26.1 17.5 19 22 A L E -AC 4 26A 1 -15,-2.7 -15,-3.0 -2,-0.5 2,-0.2 -0.917 26.2-117.3-118.3 139.9 48.9 26.6 16.4 20 23 A D E > -A 3 0A 28 5,-2.7 4,-2.2 -2,-0.4 -17,-0.2 -0.540 19.2-142.8 -70.3 134.4 51.5 29.2 17.4 21 24 A V T 4 S+ 0 0 37 -19,-2.1 -1,-0.1 -2,-0.2 -18,-0.1 0.875 95.3 51.9 -65.9 -39.6 52.5 31.4 14.5 22 25 A A T 4 S+ 0 0 88 -20,-0.4 -1,-0.2 1,-0.2 -19,-0.1 0.774 131.0 10.6 -73.1 -29.1 56.2 31.7 15.5 23 26 A T T 4 S- 0 0 74 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.517 91.0-123.5-126.9 -14.1 56.9 28.0 16.0 24 27 A C < + 0 0 13 -4,-2.2 2,-0.3 1,-0.2 -3,-0.1 0.774 56.2 157.5 63.9 31.1 53.9 26.1 14.5 25 28 A D - 0 0 95 -5,-0.2 -5,-2.7 1,-0.0 2,-0.5 -0.664 47.3-116.8 -85.5 138.8 53.4 24.4 17.9 26 29 A V E +C 19 0A 77 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.656 35.6 171.3 -75.8 119.5 49.9 23.0 18.8 27 30 A L E S+ 0 0 84 -9,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.670 70.1 12.3-100.2 -24.9 48.6 24.8 21.8 28 31 A M E -C 18 0A 2 -10,-1.3 -10,-3.2 2,-0.0 -1,-0.4 -0.958 62.5-178.2-155.2 134.5 45.1 23.4 21.8 29 32 A A E +C 17 0A 33 -2,-0.3 16,-2.5 -12,-0.2 2,-0.3 -0.970 15.1 152.1-132.2 150.2 43.5 20.5 19.9 30 33 A G E -CD 16 44A 13 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.3 -0.975 28.1-139.1-165.0 175.3 39.9 19.2 19.9 31 34 A I E -CD 15 43A 53 12,-0.6 12,-2.4 -2,-0.3 2,-0.9 -0.969 7.6-154.0-151.8 128.6 36.9 17.5 18.1 32 35 A A E - D 0 42A 3 -18,-1.8 -18,-0.3 -2,-0.3 10,-0.2 -0.737 37.3-173.3-101.7 81.7 33.2 18.2 18.0 33 36 A D + 0 0 55 8,-1.2 8,-0.4 -2,-0.9 -20,-0.2 -0.228 50.1 35.8 -81.5 162.4 32.1 14.7 17.3 34 37 A G S > S- 0 0 15 -22,-0.6 3,-1.3 6,-0.2 -21,-0.2 0.900 75.2-166.2 66.2 46.9 28.6 13.2 16.4 35 38 A M T 3 + 0 0 11 -23,-2.8 -1,-0.1 1,-0.2 21,-0.1 -0.347 67.8 12.5 -69.2 144.1 27.4 16.2 14.3 36 39 A N T 3 S+ 0 0 93 19,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.584 105.6 116.4 63.7 14.4 23.6 16.4 13.4 37 40 A T S < S- 0 0 68 -3,-1.3 17,-1.3 18,-0.2 18,-0.4 -0.736 81.4-114.8-108.4 157.8 23.0 13.7 16.1 38 41 A E S S+ 0 0 79 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.743 112.8 52.5 -60.6 -25.5 21.0 13.9 19.3 39 42 A N + 0 0 75 14,-0.2 2,-0.6 -5,-0.1 -1,-0.2 -0.857 69.1 163.1-116.7 94.8 24.3 13.3 21.1 40 43 A A E - E 0 52A 8 12,-2.6 12,-1.3 -2,-0.6 2,-0.3 -0.879 13.4-174.9-117.7 99.9 26.9 15.8 20.0 41 44 A F E - E 0 51A 78 -2,-0.6 -8,-1.2 -8,-0.4 2,-0.5 -0.729 16.2-153.4-100.2 142.9 29.9 16.1 22.3 42 45 A L E -DE 32 50A 17 8,-2.5 8,-1.0 -2,-0.3 2,-0.6 -0.962 13.3-173.5-113.8 115.7 32.9 18.5 22.1 43 46 A S E -DE 31 49A 25 -12,-2.4 -12,-0.6 -2,-0.5 2,-0.5 -0.842 4.6-165.1-118.6 95.5 36.1 17.2 23.7 44 47 A I E >> S-DE 30 48A 9 4,-0.9 3,-1.2 -2,-0.6 4,-0.8 -0.687 74.2 -30.2 -82.9 121.3 39.0 19.7 23.9 45 48 A N T 34 S- 0 0 90 -16,-2.5 -1,-0.2 -2,-0.5 -15,-0.1 0.205 103.7 -83.7 60.8 -17.7 42.4 18.1 24.6 46 49 A G T 34 S+ 0 0 55 -2,-0.7 -1,-0.3 2,-0.2 -2,-0.1 0.229 107.9 111.0 103.9 -9.8 40.5 15.4 26.6 47 50 A D T <4 S+ 0 0 121 -3,-1.2 -2,-0.1 1,-0.3 -4,-0.0 0.796 90.1 11.2 -67.7 -31.1 40.3 17.5 29.8 48 51 A K E < -E 44 0A 47 -4,-0.8 2,-1.8 2,-0.1 -4,-0.9 -0.833 60.0-155.7-153.3 109.0 36.5 18.0 29.5 49 52 A P E -E 43 0A 97 0, 0.0 -6,-0.2 0, 0.0 -4,-0.0 -0.545 30.0-168.1 -81.0 72.3 34.1 16.1 27.2 50 53 A I E -E 42 0A 47 -2,-1.8 -8,-2.5 -8,-1.0 2,-0.3 -0.225 9.3-134.1 -61.1 152.0 31.5 18.8 27.2 51 54 A N E +E 41 0A 120 -10,-0.2 2,-0.3 -8,-0.0 -10,-0.2 -0.837 25.1 174.5-120.7 148.3 28.1 17.9 25.7 52 55 A L E -E 40 0A 41 -12,-1.3 -12,-2.6 -2,-0.3 2,-0.5 -0.972 22.5-133.0-142.5 156.5 25.5 19.4 23.3 53 56 A A S S- 0 0 71 -2,-0.3 -15,-0.2 -14,-0.2 -14,-0.2 -0.957 72.4 -23.3-120.7 125.4 22.3 18.0 21.8 54 57 A H S S+ 0 0 74 -17,-1.3 2,-0.4 -2,-0.5 -1,-0.2 0.924 85.2 162.7 43.8 70.0 21.2 18.2 18.1 55 58 A S - 0 0 34 -18,-0.4 -19,-1.1 -3,-0.1 -18,-0.2 -0.921 32.9-123.2-123.3 144.3 23.3 21.2 17.1 56 59 A N > - 0 0 96 -2,-0.4 4,-1.8 -21,-0.1 3,-0.2 -0.111 37.0 -93.8 -75.7 175.0 24.4 22.5 13.7 57 60 A Y H > S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.824 126.3 50.9 -57.0 -36.4 28.0 23.1 12.3 58 61 A E H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.837 106.8 53.4 -72.2 -35.2 27.8 26.8 13.4 59 62 A D H > S+ 0 0 38 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.869 108.5 49.3 -68.5 -39.1 26.7 25.9 17.0 60 63 A A H X S+ 0 0 13 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.822 114.1 46.5 -67.8 -33.4 29.6 23.5 17.5 61 64 A L H X S+ 0 0 20 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.818 108.0 55.3 -76.0 -34.8 31.9 26.3 16.2 62 65 A K H X S+ 0 0 42 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.741 104.5 56.0 -68.4 -25.6 30.2 28.9 18.4 63 66 A A H X S+ 0 0 38 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.903 107.9 46.9 -68.1 -44.8 31.0 26.5 21.3 64 67 A I H X S+ 0 0 11 -4,-1.2 4,-2.9 1,-0.2 5,-0.2 0.909 108.3 56.3 -61.4 -44.5 34.7 26.7 20.3 65 68 A A H X S+ 0 0 15 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.824 110.3 44.5 -58.2 -36.8 34.5 30.5 20.1 66 69 A F H X S+ 0 0 58 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.867 113.3 50.9 -73.6 -40.0 33.3 30.7 23.7 67 70 A E H X S+ 0 0 86 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.870 109.7 49.7 -65.5 -40.1 35.9 28.2 24.9 68 71 A L H <>S+ 0 0 0 -4,-2.9 5,-3.7 2,-0.2 6,-0.6 0.856 112.1 48.1 -67.2 -37.3 38.7 30.1 23.2 69 72 A E H ><5S+ 0 0 126 -4,-1.2 3,-1.3 -5,-0.2 -2,-0.2 0.830 106.9 57.3 -70.0 -34.2 37.5 33.4 24.8 70 73 A K H 3<5S+ 0 0 76 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.809 110.8 43.2 -64.4 -32.3 37.3 31.5 28.2 71 74 A R T 3<5S- 0 0 132 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.169 118.4-115.1 -97.4 14.9 41.0 30.7 27.8 72 75 A D T < 5S+ 0 0 143 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.790 81.9 121.7 57.5 35.3 41.7 34.3 26.6 73 76 A L >>< + 0 0 23 -5,-3.7 3,-1.8 1,-0.1 4,-0.9 0.641 41.4 91.1 -98.5 -17.5 42.8 33.1 23.1 74 77 A T G >4 S+ 0 0 41 -6,-0.6 3,-0.9 1,-0.3 -1,-0.1 0.849 87.3 48.3 -49.3 -47.8 40.3 35.1 21.0 75 78 A D G 34 S+ 0 0 169 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.635 106.8 58.9 -70.8 -14.1 42.5 38.2 20.6 76 79 A S G <4 S+ 0 0 36 -3,-1.8 -73,-3.3 -74,-0.1 2,-1.4 0.665 74.1 106.1 -87.6 -18.2 45.4 35.9 19.5 77 80 A V E << +b 3 0A 9 -4,-0.9 -73,-0.2 -3,-0.9 3,-0.1 -0.466 35.6 158.5 -67.7 90.4 43.6 34.4 16.5 78 81 A A E + 0 0 47 -75,-2.0 56,-0.7 -2,-1.4 2,-0.3 0.788 63.2 19.4 -83.9 -32.1 45.4 36.2 13.7 79 82 A L E -bf 4 134A 14 -76,-1.3 -74,-2.4 -3,-0.2 2,-0.4 -0.966 61.7-150.2-140.4 151.3 44.6 33.7 10.9 80 83 A I E -bf 5 135A 0 54,-1.8 56,-3.1 -2,-0.3 2,-0.5 -0.993 11.5-157.5-126.7 127.7 42.1 30.9 10.3 81 84 A G E -bf 6 136A 0 -76,-2.8 -74,-3.3 -2,-0.4 2,-0.5 -0.893 5.0-162.6-107.2 131.0 42.8 27.8 8.1 82 85 A H E -bf 7 137A 4 54,-2.9 56,-3.5 -2,-0.5 2,-0.5 -0.945 12.5-141.3-115.6 127.0 40.1 25.8 6.4 83 86 A R E - f 0 138A 18 -76,-2.4 2,-0.5 -2,-0.5 -74,-0.4 -0.749 19.6-164.6 -82.7 124.0 40.6 22.2 5.1 84 87 A I E - f 0 139A 0 54,-3.3 56,-2.5 -2,-0.5 57,-0.2 -0.947 14.0-153.8-113.3 131.3 38.6 21.8 1.8 85 88 A A S S+ 0 0 16 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.862 79.3 22.4 -69.2 -38.9 38.0 18.3 0.5 86 89 A H + 0 0 0 26,-0.1 -1,-0.2 54,-0.1 22,-0.1 -0.963 45.8 171.4-143.1 119.9 37.7 19.2 -3.2 87 90 A G >> - 0 0 0 -2,-0.4 4,-1.7 1,-0.3 3,-0.6 0.227 31.2-157.0-107.7 12.3 38.9 22.1 -5.3 88 91 A G T 34 - 0 0 0 1,-0.2 -1,-0.3 20,-0.2 17,-0.0 -0.154 58.5 -47.1 48.1-134.6 38.1 20.8 -8.7 89 92 A E T 34 S+ 0 0 94 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.459 129.4 78.8-102.0 -7.8 40.1 22.4 -11.5 90 93 A L T <4 S+ 0 0 70 -3,-0.6 2,-0.5 14,-0.1 -2,-0.2 0.730 88.0 58.0 -75.2 -24.4 39.5 25.9 -10.1 91 94 A F < + 0 0 9 -4,-1.7 -4,-0.1 1,-0.1 -1,-0.1 -0.940 42.1 157.6-120.2 123.5 42.1 25.7 -7.3 92 95 A T S S+ 0 0 90 -2,-0.5 2,-0.3 1,-0.2 53,-0.1 0.471 74.0 13.1-114.4 -10.8 45.8 25.0 -7.7 93 96 A Q S S- 0 0 132 44,-0.0 2,-0.2 52,-0.0 -1,-0.2 -0.944 94.3 -69.2-156.7 170.2 47.0 26.5 -4.4 94 97 A S - 0 0 11 -2,-0.3 2,-0.3 -3,-0.1 44,-0.2 -0.504 53.9-165.5 -71.5 137.1 45.9 27.8 -1.0 95 98 A V E -G 137 0A 31 42,-1.6 42,-2.8 -2,-0.2 2,-0.4 -0.900 28.0-107.1-127.7 150.6 43.9 31.1 -1.2 96 99 A I E -G 136 0A 29 -2,-0.3 40,-0.3 40,-0.2 2,-0.2 -0.643 51.4-111.6 -68.3 127.3 42.7 33.9 1.0 97 100 A I + 0 0 4 38,-3.7 38,-0.3 -2,-0.4 2,-0.3 -0.468 50.5 155.0 -71.2 128.5 38.9 33.3 1.3 98 101 A T > - 0 0 54 -2,-0.2 4,-2.1 -3,-0.0 5,-0.2 -0.817 61.6 -88.6-134.9 178.6 36.6 35.9 -0.3 99 102 A D H > S+ 0 0 116 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.824 129.8 54.3 -59.1 -33.1 33.1 35.9 -1.7 100 103 A E H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 106.7 50.0 -64.3 -44.9 34.6 34.8 -5.0 101 104 A I H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 109.8 50.8 -64.1 -39.6 36.4 31.8 -3.3 102 105 A I H X S+ 0 0 23 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.936 109.5 50.0 -64.3 -47.5 33.1 30.7 -1.6 103 106 A D H X S+ 0 0 85 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.900 112.5 48.5 -53.9 -44.3 31.2 30.8 -5.0 104 107 A N H X S+ 0 0 27 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.847 109.5 50.1 -69.8 -37.8 34.0 28.7 -6.6 105 108 A I H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.860 110.8 51.7 -64.6 -36.9 34.0 26.1 -3.8 106 109 A R H < S+ 0 0 132 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.789 106.2 55.6 -69.3 -28.0 30.2 25.9 -4.2 107 110 A R H < S+ 0 0 165 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.864 112.3 40.1 -70.0 -39.1 30.7 25.4 -7.9 108 111 A V H >< S+ 0 0 11 -4,-1.4 3,-2.1 1,-0.2 4,-0.3 0.524 88.6 97.9 -89.2 -6.9 33.0 22.3 -7.4 109 112 A S G >< + 0 0 0 -4,-0.8 3,-1.4 1,-0.3 7,-0.3 0.730 68.8 68.3 -56.8 -30.1 30.9 20.9 -4.5 110 113 A P G 3 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.743 90.6 65.3 -61.0 -20.3 29.0 18.5 -6.8 111 114 A L G < S+ 0 0 38 -3,-2.1 -2,-0.2 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5.9 232 235 A T S S+ 0 0 37 -29,-0.4 32,-2.2 29,-0.2 2,-0.4 0.386 119.6 93.1-118.0 -3.5 37.3 -0.0 4.7 233 236 A R - 0 0 55 -30,-0.4 -3,-3.1 31,-0.2 28,-0.2 -0.794 63.4-147.4-101.7 137.3 37.8 0.7 1.0 234 237 A S - 0 0 22 26,-1.8 2,-0.2 -2,-0.4 -1,-0.1 0.818 29.6-157.8 -67.8 -35.3 38.5 -1.9 -1.7 235 238 A G + 0 0 2 -10,-0.5 -7,-0.2 25,-0.3 -1,-0.2 -0.542 60.5 17.4 82.1-156.4 40.8 0.2 -3.9 236 239 A D S S+ 0 0 45 -9,-2.8 2,-0.3 -2,-0.2 -10,-0.1 -0.203 76.2 175.9 -47.0 126.9 41.2 -0.8 -7.5 237 240 A V - 0 0 74 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.992 36.7-107.0-143.3 133.4 38.4 -3.1 -8.5 238 241 A D > - 0 0 111 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.386 21.6-152.5 -56.5 119.9 37.4 -4.7 -11.9 239 242 A F H > S+ 0 0 170 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.821 97.7 56.2 -67.2 -31.9 34.3 -2.9 -13.2 240 243 A G H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.864 106.4 50.2 -63.7 -38.7 33.4 -6.1 -15.1 241 244 A A H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.871 109.6 51.0 -66.1 -38.9 33.5 -8.0 -11.8 242 245 A M H X S+ 0 0 27 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.859 111.2 47.2 -66.7 -38.7 31.3 -5.4 -10.1 243 246 A A H X S+ 0 0 47 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.815 110.6 53.1 -70.7 -33.5 28.7 -5.7 -12.9 244 247 A W H X S+ 0 0 161 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.873 106.8 52.3 -67.0 -40.6 28.9 -9.5 -12.7 245 248 A I H X S+ 0 0 54 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.898 104.6 57.3 -60.7 -42.7 28.2 -9.2 -8.9 246 249 A A H X S+ 0 0 30 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.866 103.4 52.4 -57.5 -41.9 25.1 -7.1 -9.7 247 250 A K H < S+ 0 0 180 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 116.0 40.1 -64.5 -35.9 23.6 -9.8 -11.9 248 251 A E H < S+ 0 0 123 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.863 125.7 31.8 -82.2 -40.3 23.9 -12.4 -9.2 249 252 A T H < S- 0 0 80 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.613 95.5-128.6 -95.7 -16.7 23.0 -10.5 -6.1 250 253 A G < + 0 0 64 -4,-1.9 -4,-0.1 -5,-0.3 -3,-0.1 0.509 57.8 149.9 76.9 5.3 20.5 -8.1 -7.6 251 254 A Q - 0 0 62 -6,-0.3 -1,-0.2 -5,-0.1 2,-0.1 -0.300 38.0-134.4 -69.8 153.1 22.4 -5.2 -6.0 252 255 A T > - 0 0 73 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.374 30.1 -95.7 -98.1 179.2 22.6 -1.7 -7.6 253 256 A L H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.907 126.9 48.6 -60.3 -43.8 25.4 0.7 -8.2 254 257 A S H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 108.5 53.2 -64.1 -42.2 24.6 2.5 -4.9 255 258 A D H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.940 114.7 41.1 -57.0 -49.4 24.4 -0.8 -3.0 256 259 A L H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.718 106.3 66.2 -73.4 -23.2 27.9 -1.7 -4.2 257 260 A E H X S+ 0 0 93 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.936 105.0 42.8 -59.5 -49.1 29.0 1.9 -3.6 258 261 A R H X>S+ 0 0 44 -4,-1.9 4,-3.4 2,-0.2 5,-0.6 0.898 113.5 52.5 -64.4 -42.6 28.5 1.5 0.1 259 262 A V H X>S+ 0 0 38 -4,-1.5 4,-1.6 1,-0.2 5,-0.5 0.935 111.7 45.1 -58.3 -50.1 30.1 -2.0 0.1 260 263 A V H <5S+ 0 0 17 -4,-2.6 -26,-1.8 1,-0.2 -25,-0.3 0.824 123.2 36.9 -63.2 -34.1 33.2 -0.7 -1.7 261 264 A N H <5S+ 0 0 31 -4,-1.7 -2,-0.2 -28,-0.2 -29,-0.2 0.832 132.3 17.7 -89.2 -36.8 33.5 2.3 0.6 262 265 A K H <5S+ 0 0 129 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.601 127.4 36.7-118.1 -17.6 32.5 1.1 4.0 263 266 A E T <>< + 0 0 19 -32,-2.2 4,-1.7 -5,-0.5 3,-0.6 0.024 65.8 52.5-104.6-154.7 35.7 -3.6 2.1 265 268 A G H 3> S- 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.3 -0.257 118.9 -13.7 65.5-143.7 39.5 -3.3 2.4 266 269 A L H 3> S+ 0 0 1 -36,-2.5 4,-1.8 1,-0.2 6,-0.4 0.897 144.5 48.8 -57.8 -43.8 41.3 -4.6 5.4 267 270 A L H <> S+ 0 0 59 -36,-2.5 4,-1.6 -3,-0.6 -2,-0.2 0.898 112.2 50.4 -60.4 -43.4 37.9 -4.9 7.2 268 271 A G H < S+ 0 0 31 -4,-1.7 -2,-0.2 -37,-0.3 -1,-0.2 0.912 116.2 36.3 -64.5 -49.4 36.4 -6.7 4.2 269 272 A I H < S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.962 123.4 39.9 -72.2 -53.3 39.1 -9.4 3.7 270 273 A S H < S- 0 0 2 -4,-1.8 20,-0.2 -5,-0.3 -2,-0.2 0.805 86.9-149.7 -67.4 -31.9 40.0 -10.1 7.4 271 274 A G S < S+ 0 0 50 -4,-1.6 -3,-0.1 -5,-0.4 -4,-0.1 0.703 80.0 78.9 66.0 21.6 36.4 -9.9 8.6 272 275 A L S S- 0 0 80 -6,-0.4 2,-0.3 1,-0.3 -5,-0.1 0.720 97.6 -25.7-123.2 -64.6 37.9 -8.7 11.8 273 276 A S - 0 0 25 -7,-0.3 -1,-0.3 2,-0.1 -3,-0.2 -0.992 29.4-137.5-157.5 156.6 39.0 -5.0 11.8 274 277 A S S S+ 0 0 31 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.1 0.606 83.0 98.2 -85.1 -17.8 40.1 -2.1 9.6 275 278 A D > - 0 0 39 1,-0.1 4,-1.6 -9,-0.1 5,-0.1 -0.574 65.0-153.4 -76.5 129.7 42.7 -1.3 12.3 276 279 A L H > S+ 0 0 11 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.812 92.8 63.1 -73.0 -32.6 46.2 -2.6 11.5 277 280 A R H > S+ 0 0 192 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.905 107.9 44.8 -55.7 -43.1 47.2 -2.8 15.2 278 281 A V H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.933 115.9 45.5 -63.4 -49.0 44.5 -5.4 15.6 279 282 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.837 108.3 55.0 -70.5 -37.0 45.4 -7.3 12.4 280 283 A E H X S+ 0 0 38 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.898 112.6 43.5 -61.5 -42.7 49.1 -7.4 13.0 281 284 A K H X S+ 0 0 124 -4,-1.3 4,-1.3 -5,-0.3 -2,-0.2 0.842 111.1 55.9 -71.6 -35.2 48.6 -9.0 16.4 282 285 A A H <>S+ 0 0 8 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.893 108.2 47.9 -61.5 -41.7 46.0 -11.4 14.9 283 286 A W H ><5S+ 0 0 60 -4,-2.3 3,-2.2 3,-0.2 -2,-0.2 0.893 106.2 56.1 -67.7 -41.0 48.5 -12.6 12.3 284 287 A H H 3<5S+ 0 0 145 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.818 107.1 52.0 -58.8 -29.4 51.1 -13.1 15.0 285 288 A E T 3<5S- 0 0 136 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.214 128.3-101.8 -91.3 11.5 48.5 -15.4 16.6 286 289 A G T < 5 + 0 0 61 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.666 60.4 164.1 81.2 20.0 48.1 -17.3 13.3 287 290 A H >< - 0 0 64 -5,-2.5 4,-1.3 1,-0.1 -1,-0.2 -0.604 23.6-158.5 -71.0 121.2 44.9 -15.7 12.0 288 291 A E H > S+ 0 0 68 -2,-0.5 4,-1.8 2,-0.2 -1,-0.1 0.901 85.6 46.7 -72.5 -45.7 44.8 -16.7 8.3 289 292 A R H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.765 111.3 52.7 -71.8 -26.9 42.4 -14.0 6.9 290 293 A A H > S+ 0 0 0 2,-0.2 4,-1.8 -20,-0.2 -1,-0.2 0.858 108.4 51.5 -72.3 -37.3 44.2 -11.2 8.8 291 294 A R H X S+ 0 0 97 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.881 111.7 46.7 -64.1 -41.1 47.5 -12.4 7.2 292 295 A L H X S+ 0 0 84 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.887 108.8 53.9 -69.9 -42.3 46.0 -12.4 3.7 293 296 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.902 113.0 44.5 -57.8 -42.6 44.4 -8.9 4.2 294 297 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.907 114.2 48.3 -68.8 -44.3 47.9 -7.6 5.2 295 298 A K H X S+ 0 0 87 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.899 114.2 46.4 -63.3 -42.4 49.7 -9.4 2.3 296 299 A T H X S+ 0 0 47 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.912 113.1 50.4 -62.1 -46.4 47.1 -8.1 -0.2 297 300 A F H X S+ 0 0 1 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.932 114.3 44.1 -56.0 -50.6 47.4 -4.6 1.3 298 301 A V H X S+ 0 0 3 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.910 112.0 52.6 -62.7 -45.9 51.2 -4.8 1.0 299 302 A H H X S+ 0 0 86 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.885 110.9 46.7 -59.7 -42.5 51.1 -6.3 -2.5 300 303 A R H X S+ 0 0 77 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.803 111.4 52.0 -73.1 -29.4 48.8 -3.5 -3.8 301 304 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.920 111.5 46.5 -67.5 -45.5 51.0 -0.8 -2.1 302 305 A A H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.879 110.9 52.9 -63.7 -40.7 54.2 -2.2 -3.8 303 306 A R H X S+ 0 0 175 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.920 113.3 42.4 -63.0 -47.0 52.5 -2.4 -7.1 304 307 A H H X S+ 0 0 38 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.794 111.7 55.1 -71.9 -29.9 51.3 1.2 -7.0 305 308 A I H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.967 113.4 41.0 -65.4 -50.6 54.7 2.5 -5.7 306 309 A A H X S+ 0 0 37 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.871 115.7 52.0 -63.6 -40.2 56.6 0.8 -8.6 307 310 A G H >< S+ 0 0 41 -4,-2.1 3,-1.2 -5,-0.2 4,-0.3 0.910 107.9 49.9 -62.0 -46.4 53.9 2.0 -11.1 308 311 A H H >< S+ 0 0 5 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.753 98.8 69.0 -64.0 -26.1 54.0 5.6 -9.9 309 312 A A H >< S+ 0 0 17 -4,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.734 83.3 72.4 -65.4 -23.8 57.8 5.5 -10.3 310 313 A A T << S+ 0 0 87 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.784 88.1 62.5 -61.0 -28.8 57.3 5.3 -14.1 311 314 A S T < S+ 0 0 38 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.3 0.380 95.0 81.9 -78.6 4.0 56.3 9.0 -14.0 312 315 A L < - 0 0 17 -3,-1.8 3,-0.2 1,-0.1 -117,-0.1 -0.786 67.9-149.5-107.9 153.5 59.8 9.9 -12.7 313 316 A H S S+ 0 0 82 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.734 91.9 8.3 -85.5 -28.1 63.0 10.4 -14.6 314 317 A R S S- 0 0 94 -120,-0.1 2,-0.7 -118,-0.0 -1,-0.4 -0.965 71.9-134.0-153.9 135.6 65.0 9.2 -11.6 315 318 A L + 0 0 33 -2,-0.3 -119,-0.2 1,-0.2 3,-0.1 -0.842 33.3 158.5 -97.2 113.0 63.9 7.6 -8.3 316 319 A D + 0 0 25 -121,-2.8 54,-2.3 -2,-0.7 2,-0.3 0.812 60.3 7.9 -98.9 -40.6 65.7 9.2 -5.3 317 320 A G E -ik 196 370B 0 -122,-1.5 -120,-1.9 52,-0.2 2,-0.4 -0.989 43.4-152.5-148.5 152.0 63.4 8.4 -2.4 318 321 A I E -ik 197 371B 0 52,-2.4 54,-2.2 -2,-0.3 2,-0.5 -0.997 26.2-162.8-120.0 123.0 60.4 6.5 -1.1 319 322 A I E -ik 198 372B 0 -122,-3.2 -120,-3.4 -2,-0.4 2,-0.4 -0.923 5.1-154.9-114.7 128.1 58.7 8.2 1.9 320 323 A F E +ik 199 373B 0 52,-2.9 54,-2.5 -2,-0.5 2,-0.3 -0.804 25.6 153.3 -98.5 139.8 56.3 6.6 4.3 321 324 A T E > +i 200 0B 0 -122,-2.2 -120,-3.0 -2,-0.4 4,-0.9 -0.931 23.1 64.2-154.6 175.9 53.7 8.6 6.2 322 325 A G H > S- 0 0 4 -2,-0.3 4,-3.1 52,-0.2 5,-0.4 -0.115 98.0 -56.1 87.8 168.4 50.3 8.4 7.9 323 326 A G H > S+ 0 0 45 1,-0.2 4,-1.0 2,-0.2 -121,-0.2 0.840 142.0 36.6 -48.4 -41.2 49.2 6.4 10.9 324 327 A I H > S+ 0 0 20 -123,-2.5 4,-2.6 -3,-0.2 8,-0.2 0.912 118.0 48.7 -79.2 -47.7 50.3 3.2 9.2 325 328 A G H < S+ 0 0 0 -124,-1.4 -3,-0.2 -4,-0.9 -2,-0.2 0.786 117.0 42.8 -64.7 -29.5 53.4 4.5 7.4 326 329 A E H < S+ 0 0 23 -4,-3.1 -1,-0.2 -125,-0.3 -2,-0.2 0.842 127.3 26.2 -82.3 -35.2 54.7 6.2 10.6 327 330 A N H < S+ 0 0 96 -4,-1.0 2,-1.0 -5,-0.4 -2,-0.2 0.616 93.2 92.1-111.2 -18.5 54.0 3.4 13.1 328 331 A S X + 0 0 5 -4,-2.6 4,-1.7 1,-0.2 5,-0.2 -0.712 36.8 175.3 -93.7 99.1 54.0 0.0 11.3 329 332 A V H > S+ 0 0 53 -2,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.866 83.8 51.0 -59.4 -38.0 57.4 -1.6 11.3 330 333 A L H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 108.4 45.5 -70.5 -54.2 55.9 -4.7 9.6 331 334 A I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.915 112.8 52.4 -58.8 -44.6 54.1 -3.1 6.7 332 335 A R H X S+ 0 0 0 -4,-1.7 4,-2.5 -8,-0.2 -1,-0.2 0.921 112.8 44.1 -56.6 -48.2 57.1 -0.9 5.8 333 336 A Q H X S+ 0 0 50 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.909 113.9 49.7 -64.7 -43.7 59.5 -3.9 5.8 334 337 A L H X S+ 0 0 24 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.904 113.1 47.1 -62.6 -43.5 57.1 -6.1 3.8 335 338 A V H < S+ 0 0 0 -4,-2.9 4,-0.2 -5,-0.2 -2,-0.2 0.926 114.3 46.8 -61.1 -47.8 56.5 -3.3 1.2 336 339 A I H >< S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.876 111.1 51.0 -66.6 -37.6 60.3 -2.7 0.9 337 340 A E H >< S+ 0 0 123 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.807 106.7 56.0 -67.5 -29.1 61.1 -6.4 0.6 338 341 A H T 3< S+ 0 0 87 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.484 104.8 55.6 -77.1 -5.6 58.4 -6.5 -2.1 339 342 A L T X > + 0 0 4 -3,-1.2 3,-1.4 -4,-0.2 5,-1.1 -0.054 62.2 121.0-119.9 32.3 60.4 -3.8 -4.0 340 343 A G G X 5 + 0 0 46 -3,-0.8 3,-1.4 1,-0.3 -1,-0.1 0.743 66.4 72.6 -63.3 -23.8 63.8 -5.5 -4.2 341 344 A V G 3 5S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.775 94.7 51.1 -61.1 -29.7 63.4 -5.1 -8.0 342 345 A L G < 5S- 0 0 51 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.464 124.1-108.4 -86.4 -4.2 64.0 -1.3 -7.5 343 346 A G T < 5 + 0 0 31 -3,-1.4 25,-1.8 1,-0.2 26,-0.3 0.719 59.1 164.6 86.3 24.8 67.1 -2.2 -5.5 344 347 A L < - 0 0 14 -5,-1.1 2,-0.4 -8,-0.2 -1,-0.2 -0.581 17.8-168.5 -77.9 131.9 65.9 -1.2 -2.1 345 348 A T - 0 0 64 24,-0.4 19,-2.0 -2,-0.3 2,-0.3 -0.990 13.4-143.7-119.1 126.4 67.9 -2.4 1.0 346 349 A L B -M 363 0C 31 -2,-0.4 2,-0.8 17,-0.3 17,-0.3 -0.689 8.3-145.8 -93.0 140.3 66.3 -2.0 4.4 347 350 A D > - 0 0 56 15,-2.6 4,-2.6 -2,-0.3 5,-0.2 -0.908 17.0-167.4 -97.3 104.6 68.0 -1.2 7.7 348 351 A V H > S+ 0 0 75 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.872 83.3 53.0 -68.1 -40.5 65.9 -3.2 10.1 349 352 A E H > S+ 0 0 155 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.909 114.3 44.4 -57.9 -43.0 67.3 -1.7 13.3 350 353 A M H >4 S+ 0 0 68 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.876 113.6 50.1 -67.9 -39.2 66.4 1.8 11.8 351 354 A N H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 11,-0.3 -1,-0.2 0.742 102.2 63.6 -69.2 -24.0 63.0 0.5 10.6 352 355 A K H 3< S+ 0 0 47 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.753 79.1 108.3 -69.5 -26.8 62.4 -0.9 14.2 353 356 A Q S << S- 0 0 52 -4,-0.7 7,-0.0 -3,-0.6 -3,-0.0 -0.247 70.6-124.4 -56.9 133.4 62.5 2.7 15.6 354 357 A P > - 0 0 78 0, 0.0 3,-2.0 0, 0.0 -27,-0.1 -0.240 32.7 -92.2 -74.7 171.2 59.1 4.0 16.8 355 358 A N G > S+ 0 0 38 1,-0.3 3,-2.6 2,-0.2 -28,-0.1 0.668 113.8 82.1 -61.2 -20.1 57.5 7.3 15.5 356 359 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.709 82.0 65.7 -55.9 -22.3 59.1 9.2 18.4 357 360 A H G < S- 0 0 95 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.468 91.3-168.2 -81.5 -3.0 62.3 9.3 16.3 358 361 A G < + 0 0 20 -3,-2.6 2,-0.6 -4,-0.1 -1,-0.2 -0.191 55.1 22.5 61.9-134.7 60.4 11.5 13.8 359 362 A E S S+ 0 0 56 15,-0.1 2,-0.3 16,-0.1 15,-0.2 -0.590 86.2 156.0 -73.2 114.3 61.9 12.1 10.4 360 363 A R E -L 373 0B 9 13,-2.2 13,-2.6 -2,-0.6 2,-0.3 -0.994 46.4-119.5-148.8 143.1 64.3 9.2 9.8 361 364 A I E +L 372 0B 53 -2,-0.3 11,-0.3 11,-0.2 9,-0.0 -0.690 24.7 177.9 -80.4 135.0 66.1 7.1 7.2 362 365 A I + 0 0 0 9,-2.5 -15,-2.6 -2,-0.3 -11,-0.3 0.369 50.8 91.5-119.4 0.4 65.1 3.4 7.3 363 366 A S B S-M 346 0C 14 8,-1.2 -17,-0.3 -17,-0.3 7,-0.1 -0.697 76.6-112.5 -97.9 150.6 67.1 2.1 4.4 364 367 A A > - 0 0 21 -19,-2.0 3,-1.2 -2,-0.3 -19,-0.2 -0.285 32.3-105.9 -72.5 164.1 70.7 0.8 4.4 365 368 A N T 3 S+ 0 0 165 1,-0.2 -1,-0.1 -19,-0.1 -2,-0.0 0.896 114.9 55.5 -61.1 -46.9 73.6 2.6 2.8 366 369 A P T 3 S+ 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.364 80.8 119.8 -73.3 8.4 74.1 0.3 -0.3 367 370 A S < - 0 0 17 -3,-1.2 -23,-0.2 -22,-0.2 -24,-0.1 -0.573 63.3-143.4 -71.4 134.2 70.4 0.8 -1.2 368 371 A Q S S+ 0 0 81 -25,-1.8 2,-0.4 -2,-0.3 -24,-0.2 0.742 88.7 41.8 -69.2 -25.5 70.0 2.4 -4.7 369 372 A V S S- 0 0 7 -26,-0.3 -24,-0.4 -24,-0.0 2,-0.3 -0.971 87.2-122.7-124.9 138.4 67.0 4.4 -3.3 370 373 A I E -k 317 0B 60 -54,-2.3 -52,-2.4 -2,-0.4 2,-0.4 -0.645 23.7-159.9 -78.9 132.6 66.6 6.1 0.0 371 374 A C E +k 318 0B 0 -2,-0.3 -9,-2.5 -54,-0.2 -8,-1.2 -0.947 18.7 166.6-112.1 139.0 63.7 5.0 2.2 372 375 A A E -kL 319 361B 0 -54,-2.2 -52,-2.9 -2,-0.4 2,-0.5 -0.978 33.9-133.2-148.7 156.5 62.4 7.2 5.0 373 376 A V E +kL 320 360B 0 -13,-2.6 -13,-2.2 -2,-0.3 -52,-0.2 -0.970 24.7 178.4-109.3 127.3 59.6 7.8 7.4 374 377 A I - 0 0 0 -54,-2.5 -52,-0.2 -2,-0.5 2,-0.2 -0.957 27.3-130.1-130.3 113.4 58.3 11.4 7.7 375 378 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -54,-0.1 -0.424 27.3-129.0 -60.3 127.4 55.4 12.1 10.0 376 379 A T - 0 0 27 -2,-0.2 2,-0.2 1,-0.0 3,-0.1 -0.517 21.5-171.3 -80.9 148.3 52.7 14.2 8.2 377 380 A N > + 0 0 49 -2,-0.2 4,-2.1 -202,-0.1 5,-0.2 -0.676 12.7 168.9-141.3 80.8 51.3 17.4 9.7 378 381 A E H > S+ 0 0 44 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.844 81.8 55.4 -64.3 -35.0 48.3 18.6 7.7 379 382 A E H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 108.3 48.3 -62.1 -42.1 47.5 21.1 10.3 380 383 A K H > S+ 0 0 62 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.900 110.6 49.8 -67.4 -43.7 51.0 22.6 10.2 381 384 A M H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.906 111.1 49.7 -62.0 -44.1 51.0 22.9 6.3 382 385 A I H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.912 113.5 47.3 -57.7 -44.7 47.6 24.6 6.5 383 386 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.906 109.1 52.5 -65.1 -44.4 49.0 27.0 9.1 384 387 A L H X S+ 0 0 70 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.829 110.3 49.4 -61.5 -34.1 52.2 27.7 7.1 385 388 A D H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.916 112.0 47.9 -67.8 -44.7 50.0 28.5 4.1 386 389 A A H < S+ 0 0 0 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.891 111.7 49.8 -62.6 -42.5 47.9 30.9 6.2 387 390 A I H >< S+ 0 0 41 -4,-2.9 3,-0.9 2,-0.2 4,-0.3 0.919 110.9 49.6 -62.6 -46.0 51.0 32.5 7.7 388 391 A H H >< S+ 0 0 127 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.894 112.0 47.8 -58.4 -43.8 52.4 33.0 4.2 389 392 A L G >< S+ 0 0 20 -4,-2.2 3,-0.6 1,-0.2 -1,-0.3 0.499 94.9 78.0 -78.2 -4.1 49.1 34.6 3.0 390 393 A G G < S+ 0 0 28 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.643 88.9 55.9 -76.4 -16.9 49.1 36.8 6.1 391 394 A N G < S+ 0 0 123 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.476 88.8 105.8 -90.3 -6.2 51.7 39.1 4.5 392 395 A V < - 0 0 55 -3,-0.6 2,-0.6 -4,-0.1 -3,-0.0 -0.386 65.1-138.7 -78.6 150.5 49.5 39.7 1.5 393 396 A K 0 0 192 -2,-0.1 -2,-0.1 1,-0.1 -3,-0.0 -0.914 360.0 360.0-111.5 103.6 47.5 42.9 0.7 394 397 A A 0 0 116 -2,-0.6 -1,-0.1 0, 0.0 -2,-0.0 -0.115 360.0 360.0-104.1 360.0 44.0 42.0 -0.6