==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JAN-02 1KQF . COMPND 2 MOLECULE: FORMATE DEHYDROGENASE, NITRATE-INDUCIBLE, MAJOR S . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.JORMAKKA,S.TORNROTH,B.BYRNE,S.IWATA . 1487 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 974 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 90 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 192 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 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 9 5 4 4 3 4 1 1 1 2 1 1 0 1 1 2 0 0 0 2 0 1 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 5 1 2 4 3 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 . 13 9 9 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 11 4 1 1 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 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 34 A Q 0 0 136 0, 0.0 3,-0.1 0, 0.0 1146,-0.1 0.000 360.0 360.0 360.0 173.1 7.3 93.1 102.7 2 35 A A - 0 0 22 1,-0.1 3,-0.1 1144,-0.1 1109,-0.0 -0.058 360.0 -88.2 -56.8 157.3 6.8 89.5 103.7 3 36 A R - 0 0 107 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.372 58.0 -92.6 -64.9 149.8 4.9 88.6 106.8 4 37 A N - 0 0 120 1,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.214 48.4 -87.4 -63.3 156.3 7.2 88.4 109.9 5 38 A Y > - 0 0 30 1,-0.1 3,-1.4 -3,-0.1 -1,-0.1 -0.553 39.9-146.0 -67.5 115.3 8.8 85.1 110.8 6 39 A K T 3 S+ 0 0 44 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.489 87.9 51.3 -67.6 -6.3 6.1 83.5 113.1 7 40 A L T > + 0 0 9 1,-0.1 3,-2.0 2,-0.1 -1,-0.2 0.383 69.3 114.9-110.6 2.0 8.4 81.7 115.5 8 41 A L T < S+ 0 0 107 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.748 92.4 21.1 -45.8 -34.7 10.8 84.5 116.5 9 42 A R T 3 S+ 0 0 238 -3,-0.2 -1,-0.3 2,-0.1 23,-0.3 0.048 96.8 120.3-125.7 26.8 9.8 84.6 120.2 10 43 A A S < S- 0 0 23 -3,-2.0 2,-0.5 21,-0.1 21,-0.2 -0.473 71.1-102.4 -87.2 161.7 8.2 81.1 120.6 11 44 A K E -A 30 0A 66 19,-2.2 19,-2.3 21,-0.5 2,-0.5 -0.733 35.7-146.3 -85.4 129.8 9.4 78.5 123.1 12 45 A E E -A 29 0A 110 -2,-0.5 2,-0.4 17,-0.2 17,-0.2 -0.872 17.9-175.8-102.6 126.7 11.5 75.9 121.3 13 46 A I E -A 28 0A 11 15,-2.7 15,-3.1 -2,-0.5 2,-0.4 -0.974 19.7-135.3-126.5 135.0 11.3 72.3 122.6 14 47 A R E +A 27 0A 108 -2,-0.4 590,-2.2 13,-0.2 2,-0.3 -0.708 40.1 144.1 -88.7 134.2 13.2 69.2 121.4 15 48 A N E -A 26 0A 6 11,-1.6 11,-3.0 -2,-0.4 2,-0.3 -0.857 41.2-107.7-152.2-174.5 11.2 66.0 121.0 16 49 A T E -A 25 0A 7 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.957 40.1 -92.2-128.3 143.5 10.9 62.9 118.8 17 50 A C - 0 0 13 7,-2.5 6,-0.1 -2,-0.3 45,-0.1 -0.244 29.8-148.2 -54.4 139.7 8.4 61.8 116.1 18 51 A T S S+ 0 0 4 44,-0.1 398,-0.5 5,-0.0 399,-0.2 0.500 76.4 63.9 -89.4 -6.6 5.6 59.7 117.7 19 52 A Y S S+ 0 0 2 396,-0.1 397,-1.7 397,-0.1 398,-0.2 0.920 95.9 13.8 -87.6 -88.7 4.8 57.5 114.7 20 53 A C B > S-C 415 0B 16 395,-0.2 3,-0.9 396,-0.1 395,-0.2 -0.291 75.3-101.2 -91.6 176.4 7.4 55.1 113.2 21 54 A S T 3 S+ 0 0 1 393,-1.2 575,-2.5 392,-0.7 576,-0.3 0.312 96.1 92.8 -76.3 5.4 10.7 53.7 114.5 22 55 A V T 3 S- 0 0 3 392,-0.2 -1,-0.2 573,-0.2 575,-0.2 0.921 80.9-146.2 -64.5 -38.9 13.0 55.9 112.4 23 56 A G < - 0 0 4 -3,-0.9 31,-0.2 1,-0.1 30,-0.1 0.817 18.6-165.8 79.9 34.0 13.1 58.3 115.5 24 57 A C - 0 0 9 -4,-0.1 -7,-2.5 -8,-0.1 2,-0.2 -0.172 20.4-114.4 -54.4 139.2 13.3 61.6 113.7 25 58 A G E -A 16 0A 3 23,-0.3 23,-1.8 -9,-0.2 2,-0.3 -0.528 32.5-160.3 -79.2 141.8 14.2 64.6 115.7 26 59 A L E -AB 15 47A 0 -11,-3.0 -11,-1.6 21,-0.3 2,-0.5 -0.859 18.8-157.4-121.7 155.7 11.7 67.4 116.2 27 60 A L E -AB 14 46A 14 19,-2.6 19,-2.1 -2,-0.3 2,-0.3 -0.981 23.2-165.1-130.2 112.1 11.7 71.1 117.2 28 61 A M E -AB 13 45A 0 -15,-3.1 -15,-2.7 -2,-0.5 2,-0.5 -0.810 5.7-148.2-102.8 145.3 8.3 72.1 118.5 29 62 A Y E -AB 12 44A 18 15,-2.9 14,-2.8 -2,-0.3 15,-1.1 -0.953 12.4-168.6-120.6 126.4 7.2 75.7 118.9 30 63 A S E -AB 11 42A 0 -19,-2.3 -19,-2.2 -2,-0.5 2,-0.6 -0.869 27.1-118.4-116.6 147.0 4.8 76.9 121.6 31 64 A L E S+ B 0 41A 119 10,-2.7 10,-0.8 -2,-0.3 2,-0.1 -0.702 86.8 45.5 -78.9 119.5 3.0 80.1 122.2 32 65 A G S S- 0 0 18 -2,-0.6 -21,-0.5 -23,-0.3 -2,-0.2 -0.167 80.0-116.1 120.4 145.7 4.3 81.5 125.5 33 66 A D - 0 0 122 -2,-0.1 3,-0.1 -23,-0.1 -1,-0.1 0.240 62.8 -90.5 -99.2 15.3 7.8 81.8 127.0 34 67 A G S S+ 0 0 36 1,-0.3 -2,-0.0 4,-0.1 -3,-0.0 0.382 76.7 148.2 95.8 -4.9 7.2 79.4 129.9 35 68 A A > - 0 0 50 1,-0.1 3,-1.4 2,-0.1 -1,-0.3 -0.325 59.1-117.0 -60.6 147.9 6.0 82.0 132.3 36 69 A K T 3 S+ 0 0 207 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.816 111.6 56.7 -59.6 -31.0 3.5 80.5 134.8 37 70 A N T 3 S+ 0 0 164 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.607 94.5 75.9 -78.4 -11.6 0.7 82.8 133.6 38 71 A A S < S- 0 0 34 -3,-1.4 2,-0.9 0, 0.0 -4,-0.1 -0.892 74.2-145.1-104.1 120.9 1.0 81.7 130.0 39 72 A R - 0 0 147 -2,-0.6 -8,-0.1 1,-0.0 -3,-0.1 -0.756 28.1-124.1 -86.1 108.8 -0.5 78.3 129.1 40 73 A E - 0 0 44 -2,-0.9 568,-0.5 -5,-0.1 2,-0.4 -0.143 29.7-175.1 -52.2 140.8 1.8 76.9 126.4 41 74 A A E -B 31 0A 40 -10,-0.8 -10,-2.7 566,-0.1 2,-0.2 -0.943 23.2-131.2-143.6 116.6 0.2 75.8 123.2 42 75 A I E +B 30 0A 2 -2,-0.4 -12,-0.3 -12,-0.3 3,-0.1 -0.494 32.9 165.3 -67.2 129.1 2.2 74.1 120.4 43 76 A Y E + 0 0 65 -14,-2.8 2,-0.3 1,-0.4 -13,-0.2 0.419 60.5 22.9-126.9 -0.9 1.4 75.8 117.1 44 77 A H E -B 29 0A 6 -15,-1.1 -15,-2.9 2,-0.0 -1,-0.4 -0.944 54.6-173.2-164.3 143.5 4.2 74.6 114.8 45 78 A I E +B 28 0A 3 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.998 15.1 155.1-141.2 135.1 6.5 71.6 114.5 46 79 A E E -B 27 0A 16 -19,-2.1 -19,-2.6 -2,-0.4 11,-0.1 -0.854 43.6 -66.2-145.3-178.8 9.4 71.0 112.1 47 80 A G E -B 26 0A 2 9,-0.6 -21,-0.3 -2,-0.3 11,-0.1 -0.251 35.0-119.6 -78.0 162.6 12.5 68.9 112.0 48 81 A D > - 0 0 5 -23,-1.8 3,-1.5 9,-0.2 8,-1.3 -0.872 19.4-157.6 -98.3 109.4 15.8 69.1 114.0 49 82 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.755 88.3 57.4 -59.8 -24.5 18.6 69.8 111.6 50 83 A D T 3 S+ 0 0 85 5,-0.1 -2,-0.0 6,-0.1 -3,-0.0 0.629 75.4 111.0 -83.6 -12.2 21.2 68.4 113.9 51 84 A H <> - 0 0 4 -3,-1.5 4,-2.3 1,-0.2 5,-0.1 -0.449 64.7-143.6 -64.0 126.2 19.6 65.0 114.4 52 85 A P T 4 S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -28,-0.1 0.796 93.6 43.0 -63.7 -29.8 22.0 62.5 112.6 53 86 A V T 4 S+ 0 0 0 -30,-0.1 -29,-0.1 1,-0.1 157,-0.1 0.942 129.9 21.3 -81.4 -49.0 19.2 60.2 111.3 54 87 A S T >4 S- 0 0 0 -31,-0.2 3,-2.3 -6,-0.1 -30,-0.1 0.766 76.9-161.0 -91.8 -29.2 16.7 62.8 110.0 55 88 A R T 3< S- 0 0 142 -4,-2.3 3,-0.1 1,-0.3 -5,-0.1 0.842 79.0 -43.4 48.9 40.6 18.9 65.9 109.6 56 89 A G T 3 S+ 0 0 1 -8,-1.3 -9,-0.6 1,-0.3 -1,-0.3 0.161 109.9 124.5 95.8 -18.5 15.8 68.1 109.6 57 90 A A < + 0 0 0 -3,-2.3 -1,-0.3 -9,-0.2 2,-0.3 -0.359 32.7 179.6 -77.5 155.2 13.6 66.0 107.4 58 91 A L - 0 0 2 1102,-1.9 972,-0.1 -11,-0.1 -11,-0.1 -0.956 22.2-132.0-152.8 135.4 10.1 64.7 108.3 59 92 A C > - 0 0 13 -2,-0.3 4,-3.1 1102,-0.1 5,-0.3 -0.127 48.0 -81.2 -78.1-176.4 7.8 62.7 106.2 60 93 A P H > S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 806,-0.1 0.786 131.4 50.8 -60.8 -23.7 4.1 63.6 105.8 61 94 A K H >4 S+ 0 0 8 804,-0.3 3,-0.8 2,-0.2 4,-0.3 0.968 115.4 38.6 -76.8 -54.8 3.3 62.0 109.1 62 95 A G H >4 S+ 0 0 2 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.913 115.1 55.1 -61.1 -40.9 6.0 63.7 111.2 63 96 A A H 3< S+ 0 0 4 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.735 109.4 48.0 -65.8 -20.9 5.4 67.0 109.3 64 97 A G T X< S+ 0 0 0 -3,-0.8 3,-1.7 -4,-0.6 4,-0.4 0.313 72.2 116.4-103.3 10.8 1.8 67.0 110.2 65 98 A L T X> + 0 0 0 -3,-1.5 4,-2.8 1,-0.3 3,-1.6 0.761 65.0 69.8 -47.7 -33.6 2.1 66.2 113.9 66 99 A L H 3> S+ 0 0 16 -3,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.895 96.9 52.4 -53.4 -41.8 0.6 69.6 114.8 67 100 A D H <4 S+ 0 0 21 -3,-1.7 809,-0.4 2,-0.2 -1,-0.3 0.600 111.0 46.7 -73.9 -11.5 -2.8 68.4 113.5 68 101 A Y H X4 S+ 0 0 9 -3,-1.6 3,-2.0 -4,-0.4 -2,-0.2 0.866 111.9 48.6 -90.0 -51.8 -2.6 65.3 115.7 69 102 A V H 3< S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.891 124.3 33.4 -53.1 -41.6 -1.5 67.2 118.8 70 103 A N T 3< S+ 0 0 73 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.057 88.3 151.1-105.1 25.6 -4.4 69.6 118.2 71 104 A S X - 0 0 10 -3,-2.0 3,-1.6 1,-0.2 804,-0.1 -0.198 54.4-129.1 -57.0 144.8 -6.8 67.1 116.7 72 105 A E T 3 S+ 0 0 170 802,-0.4 -1,-0.2 1,-0.3 803,-0.1 0.715 109.7 59.9 -68.0 -16.7 -10.5 67.9 117.2 73 106 A N T 3 S+ 0 0 40 801,-0.4 480,-1.3 -5,-0.1 -1,-0.3 0.193 71.6 130.9 -97.8 17.1 -10.7 64.3 118.4 74 107 A R B < -D 552 0C 20 -3,-1.6 2,-0.3 478,-0.2 478,-0.3 -0.436 64.2-113.9 -65.1 144.0 -8.3 64.6 121.3 75 108 A L + 0 0 4 476,-1.9 538,-0.2 508,-0.2 -1,-0.1 -0.624 38.6 172.5 -82.4 140.6 -9.8 63.2 124.5 76 109 A R + 0 0 112 -2,-0.3 536,-2.7 1,-0.3 -1,-0.1 0.733 55.1 28.1-116.5 -37.2 -10.5 65.7 127.2 77 110 A Y S S- 0 0 64 534,-0.1 -1,-0.3 535,-0.1 2,-0.1 -0.932 82.3 -95.7-133.3 153.2 -12.5 64.0 130.0 78 111 A P - 0 0 0 0, 0.0 13,-2.2 0, 0.0 2,-0.4 -0.458 50.3-166.3 -62.8 135.0 -12.9 60.6 131.6 79 112 A E E -EF 90 580D 40 501,-2.2 501,-2.9 11,-0.2 2,-0.4 -0.958 11.9-158.0-130.2 148.5 -16.0 59.2 130.0 80 113 A Y E -EF 89 579D 33 9,-2.6 9,-1.8 -2,-0.4 2,-0.6 -0.978 5.2-160.1-128.2 135.8 -18.2 56.2 130.9 81 114 A R E - F 0 578D 0 497,-2.5 497,-2.1 -2,-0.4 7,-0.1 -0.971 21.8-142.3-116.6 118.3 -20.6 54.1 128.8 82 115 A A > - 0 0 33 -2,-0.6 3,-2.3 5,-0.5 5,-0.1 -0.326 36.3 -75.0 -76.8 159.6 -23.2 52.2 130.7 83 116 A P T 3 S+ 0 0 59 0, 0.0 492,-0.3 0, 0.0 -1,-0.2 -0.286 118.6 1.9 -55.3 130.5 -24.5 48.7 130.0 84 117 A G T 3 S+ 0 0 25 490,-2.4 491,-0.1 487,-0.3 2,-0.1 0.493 102.1 136.2 70.2 4.6 -26.8 48.8 127.0 85 118 A S < - 0 0 22 -3,-2.3 -1,-0.2 489,-0.2 489,-0.1 -0.391 49.4-154.4 -84.9 160.2 -26.4 52.6 126.5 86 119 A D S S+ 0 0 110 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.067 72.6 56.2-118.6 23.1 -25.8 54.5 123.3 87 120 A K S S- 0 0 126 -5,-0.1 -5,-0.5 -7,-0.0 2,-0.2 -0.988 74.7-114.4-152.9 159.4 -24.0 57.5 124.8 88 121 A W - 0 0 48 -2,-0.3 2,-0.4 -7,-0.1 -7,-0.2 -0.639 21.9-157.3 -91.1 151.7 -21.0 58.6 126.8 89 122 A Q E -E 80 0D 113 -9,-1.8 -9,-2.6 -2,-0.2 2,-0.2 -0.998 19.5-126.0-130.8 125.9 -21.4 60.2 130.3 90 123 A R E +E 79 0D 118 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.514 34.2 177.0 -72.5 135.8 -18.6 62.4 131.6 91 124 A I - 0 0 5 -13,-2.2 2,-0.1 -2,-0.2 3,-0.0 -0.854 30.3 -97.6-132.2 168.9 -17.3 61.4 135.1 92 125 A S > - 0 0 46 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.394 32.5-112.5 -83.7 164.6 -14.6 62.7 137.4 93 126 A W H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 119.3 52.3 -62.8 -42.2 -11.1 61.1 137.6 94 127 A E H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 109.0 49.9 -63.4 -35.1 -11.9 59.9 141.2 95 128 A E H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 111.8 48.6 -67.0 -44.2 -15.1 58.3 140.0 96 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.941 112.7 47.0 -61.1 -48.6 -13.3 56.5 137.2 97 130 A F H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.928 114.9 45.8 -60.5 -46.8 -10.6 55.2 139.5 98 131 A S H X S+ 0 0 56 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.917 114.3 47.5 -64.9 -42.6 -13.0 54.0 142.2 99 132 A R H X S+ 0 0 82 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.916 115.1 45.6 -63.8 -44.7 -15.3 52.3 139.7 100 133 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.927 112.1 50.5 -65.4 -45.3 -12.5 50.6 137.9 101 134 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.886 110.3 51.1 -60.5 -39.1 -10.8 49.5 141.1 102 135 A K H X S+ 0 0 154 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.922 111.6 46.6 -64.8 -44.1 -14.0 48.0 142.4 103 136 A L H X S+ 0 0 39 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.912 114.3 48.1 -64.0 -43.6 -14.6 46.1 139.2 104 137 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.921 111.1 49.1 -64.0 -46.1 -11.0 44.8 139.1 105 138 A K H X S+ 0 0 6 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.904 110.1 50.7 -62.8 -41.2 -11.0 43.7 142.7 106 139 A A H X S+ 0 0 62 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.928 115.2 43.6 -62.7 -42.9 -14.3 41.8 142.4 107 140 A D H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.900 115.1 47.7 -69.8 -41.1 -13.0 40.0 139.4 108 141 A R H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.916 111.6 50.4 -67.1 -41.6 -9.6 39.3 140.8 109 142 A D H < S+ 0 0 32 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.862 114.8 45.0 -64.6 -32.2 -11.0 38.0 144.1 110 143 A A H < S+ 0 0 70 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.879 128.6 21.7 -78.7 -37.6 -13.4 35.7 142.2 111 144 A N H < S+ 0 0 71 -4,-2.4 15,-0.3 -5,-0.1 -2,-0.2 0.492 79.7 127.4-114.5 -2.5 -10.9 34.3 139.7 112 145 A F < - 0 0 14 -4,-2.6 2,-0.7 -5,-0.2 13,-0.2 -0.300 48.7-144.5 -57.6 137.3 -7.3 34.7 141.0 113 146 A I E +K 124 0E 52 11,-3.0 11,-2.3 1,-0.2 9,-0.1 -0.898 24.2 172.6-109.8 105.0 -5.4 31.4 140.9 114 147 A E E S+ 0 0 105 -2,-0.7 8,-3.0 9,-0.2 9,-1.9 0.938 70.1 18.8 -76.1 -48.2 -3.1 30.9 143.8 115 148 A K E S-K 121 0E 122 6,-0.3 6,-0.2 7,-0.2 -1,-0.2 -0.930 72.8-133.5-126.1 148.1 -2.1 27.3 143.2 116 149 A N > - 0 0 17 4,-2.4 3,-1.8 -2,-0.3 7,-0.0 -0.307 42.0 -89.2 -89.6-179.8 -2.3 25.0 140.2 117 150 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.669 125.7 58.0 -64.2 -17.6 -3.6 21.4 140.1 118 151 A Q T 3 S- 0 0 138 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.277 120.8-105.4 -96.2 11.1 -0.1 20.1 140.9 119 152 A G S < S+ 0 0 55 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.499 73.6 138.9 82.6 6.0 0.1 22.1 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356 A H S > S- 0 0 63 1,-0.1 3,-2.1 -5,-0.1 6,-0.3 -0.386 72.6-131.6 -62.4 129.9 31.3 14.8 106.7 324 357 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.746 103.9 53.1 -54.8 -24.5 27.8 14.0 105.4 325 358 A R T 3 S+ 0 0 47 4,-0.1 -46,-3.0 5,-0.1 2,-0.1 0.336 78.5 116.8 -96.7 7.5 26.3 15.1 108.7 326 359 A C B <> S-S 278 0J 0 -3,-2.1 4,-2.1 -48,-0.2 3,-0.4 -0.500 77.2-116.1 -75.9 149.0 27.8 18.6 108.9 327 360 A V H > S+ 0 0 0 -50,-2.3 4,-2.5 -53,-0.5 5,-0.2 0.887 113.3 59.1 -47.1 -45.1 25.3 21.4 108.8 328 361 A W H > S+ 0 0 24 -53,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.919 108.1 42.0 -54.6 -49.8 26.9 22.6 105.5 329 362 A N H > S+ 0 0 36 -3,-0.4 4,-1.8 -6,-0.3 -1,-0.2 0.848 114.5 51.1 -69.7 -31.8 26.2 19.4 103.6 330 363 A L H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.839 109.8 51.2 -72.6 -31.8 22.7 19.0 105.1 331 364 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.928 107.7 52.4 -68.5 -45.0 21.9 22.6 104.1 332 365 A K H X S+ 0 0 94 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.911 112.1 46.2 -56.0 -45.1 23.1 22.0 100.5 333 366 A E H >< S+ 0 0 133 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.922 110.2 53.6 -65.0 -45.2 20.8 18.9 100.3 334 367 A H H >< S+ 0 0 11 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.910 113.5 39.7 -59.2 -46.8 17.8 20.7 101.8 335 368 A V H >< S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.516 87.6 95.4 -83.8 -2.0 17.9 23.7 99.3 336 369 A S T << S+ 0 0 45 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.1 0.771 78.3 61.9 -58.2 -25.1 18.7 21.6 96.3 337 370 A R T < S+ 0 0 70 -3,-0.7 2,-1.6 -4,-0.4 -1,-0.3 0.711 82.2 85.2 -74.6 -20.5 15.0 21.4 95.5 338 371 A Y < + 0 0 1 -3,-1.7 -1,-0.2 -86,-0.2 -82,-0.2 -0.455 59.8 162.9 -86.7 68.1 14.6 25.1 95.0 339 372 A T > - 0 0 39 -2,-1.6 4,-2.4 1,-0.1 3,-0.4 -0.324 55.7-101.4 -78.4 164.2 15.7 25.5 91.4 340 373 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.836 124.5 54.4 -56.6 -32.8 14.9 28.6 89.3 341 374 A D H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.881 107.9 48.7 -68.4 -38.1 12.0 26.7 87.7 342 375 A V H > S+ 0 0 34 -3,-0.4 4,-2.2 2,-0.2 5,-0.4 0.896 110.6 51.3 -68.0 -39.3 10.5 25.9 91.1 343 376 A V H X>S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.7 0.941 112.5 45.9 -62.6 -45.7 10.9 29.5 92.1 344 377 A E H X5S+ 0 0 73 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.912 113.1 50.4 -63.6 -41.9 9.1 30.7 88.9 345 378 A N H <5S+ 0 0 62 -4,-2.5 585,-1.8 -5,-0.1 -1,-0.2 0.848 123.5 27.4 -67.1 -35.0 6.4 28.0 89.3 346 379 A I H <5S+ 0 0 1 -4,-2.2 -2,-0.2 583,-0.2 -3,-0.2 0.863 130.3 35.0 -95.1 -42.8 5.5 28.8 93.0 347 380 A C H <5S- 0 0 0 -4,-2.7 -104,-1.6 -5,-0.4 -3,-0.2 0.740 93.1-133.1 -84.0 -27.1 6.5 32.5 93.4 348 381 A G << + 0 0 5 -4,-1.2 580,-0.4 -5,-0.7 -4,-0.2 0.405 56.9 144.5 86.7 -3.8 5.4 33.6 89.9 349 382 A T - 0 0 1 -6,-0.6 -1,-0.3 578,-0.1 -2,-0.1 -0.566 55.8-117.5 -72.2 118.8 8.7 35.5 89.6 350 383 A P >> - 0 0 51 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.272 19.5-122.3 -56.8 140.8 10.0 35.2 86.0 351 384 A K H 3> S+ 0 0 88 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.824 111.2 57.1 -53.7 -35.8 13.4 33.4 85.8 352 385 A A H 3> S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.882 110.0 44.2 -65.4 -37.6 15.0 36.4 84.1 353 386 A D H <> S+ 0 0 38 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.926 112.9 50.5 -71.8 -45.4 14.1 38.6 87.1 354 387 A F H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.877 108.8 53.4 -60.0 -38.1 15.1 36.0 89.7 355 388 A L H X S+ 0 0 80 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.906 105.2 53.6 -64.0 -42.4 18.5 35.6 87.9 356 389 A K H X S+ 0 0 89 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.927 111.5 45.8 -57.4 -46.7 19.1 39.4 88.1 357 390 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.917 112.1 50.6 -64.1 -44.3 18.5 39.3 91.8 358 391 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.930 110.8 49.2 -59.7 -47.3 20.7 36.3 92.4 359 392 A E H X S+ 0 0 100 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.910 112.4 46.7 -59.9 -44.9 23.6 37.7 90.4 360 393 A V H < S+ 0 0 27 -4,-2.1 4,-0.4 -5,-0.2 3,-0.3 0.932 114.2 46.7 -66.2 -44.5 23.5 41.0 92.3 361 394 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.929 109.6 55.8 -62.1 -42.4 23.3 39.4 95.7 362 395 A A H >< S+ 0 0 3 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.804 93.7 68.3 -59.7 -30.9 26.1 37.0 94.7 363 396 A S G >< S+ 0 0 44 -4,-1.4 3,-0.6 -3,-0.3 -1,-0.3 0.677 92.8 61.9 -64.8 -14.4 28.4 40.0 93.9 364 397 A T G < S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-0.4 7,-0.2 0.215 73.7 89.6 -97.8 18.1 28.4 40.7 97.6 365 398 A S G < + 0 0 16 -3,-1.8 -1,-0.2 5,-0.1 -2,-0.1 0.625 66.5 101.8 -82.8 -12.8 30.0 37.4 98.6 366 399 A A S X S- 0 0 31 -3,-0.6 3,-1.5 -4,-0.2 -101,-0.1 -0.411 87.4-121.0 -66.4 145.0 33.3 39.3 98.2 367 400 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 391,-0.1 0.827 109.7 48.2 -60.1 -30.4 34.7 40.4 101.5 368 401 A D T 3 S+ 0 0 83 389,-0.0 2,-0.4 391,-0.0 391,-0.1 0.114 101.9 70.2-100.4 23.3 34.7 44.0 100.6 369 402 A R < - 0 0 81 -3,-1.5 2,-0.3 -5,-0.2 -179,-0.1 -0.993 62.9-169.1-136.2 141.0 31.1 44.3 99.2 370 403 A T - 0 0 0 -2,-0.4 -179,-1.9 -181,-0.2 -178,-1.3 -0.954 17.3-155.3-135.4 153.7 27.9 44.1 101.3 371 404 A T E -n 192 0G 0 -2,-0.3 2,-0.4 -7,-0.2 -178,-0.2 -0.921 13.9-160.8-117.7 146.0 24.2 43.7 100.9 372 405 A T E -n 193 0G 0 -180,-2.0 -178,-2.6 -2,-0.4 2,-0.5 -0.992 10.6-141.6-127.6 137.9 21.9 45.0 103.6 373 406 A F E -np 194 409G 0 35,-1.3 37,-2.3 -2,-0.4 2,-0.6 -0.882 10.1-165.8-102.5 131.5 18.3 43.8 103.9 374 407 A L E +np 195 410G 1 -180,-2.9 -178,-1.0 -2,-0.5 2,-0.3 -0.966 30.4 143.7-115.7 113.1 15.5 46.1 104.8 375 408 A Y E + p 0 411G 0 35,-1.5 37,-1.8 -2,-0.6 -177,-0.3 -0.944 16.5 150.7-146.2 168.3 12.3 44.3 105.8 376 409 A A S >> S- 0 0 12 -179,-2.8 4,-1.9 -2,-0.3 3,-1.2 -0.339 71.8 -1.1-157.4-117.0 9.3 44.2 108.1 377 410 A L H 3> S+ 0 0 15 1,-0.3 4,-1.7 2,-0.2 -179,-0.2 0.713 110.6 75.6 -66.8 -26.9 5.7 42.9 107.7 378 411 A G H 34 S+ 0 0 21 -181,-1.3 -133,-0.3 1,-0.2 -1,-0.3 0.791 115.5 26.1 -56.0 -24.7 5.9 41.6 104.2 379 412 A W H <4 S+ 0 0 0 -3,-1.2 9,-0.3 -182,-1.0 -2,-0.2 0.779 121.8 51.0-106.3 -38.2 7.9 38.8 105.8 380 413 A T H < S+ 0 0 0 -4,-1.9 2,-2.1 -183,-0.3 5,-0.3 0.867 90.7 74.0 -72.3 -38.7 6.6 38.6 109.5 381 414 A Q S < S+ 0 0 10 -4,-1.7 592,-1.6 4,-0.1 2,-0.3 -0.385 80.1 90.9 -82.0 65.9 2.8 38.5 109.0 382 415 A H S > S- 0 0 2 -2,-2.1 3,-1.7 -3,-0.2 4,-0.3 -0.950 87.2-110.0-147.1 162.7 2.5 34.9 107.8 383 416 A T T 3 S+ 0 0 0 -2,-0.3 582,-1.6 1,-0.3 583,-0.1 0.661 128.8 38.8 -69.9 -13.6 2.0 31.4 109.3 384 417 A V T 3> S+ 0 0 4 580,-0.2 4,-1.7 1,-0.1 -1,-0.3 -0.019 81.7 126.9-120.8 26.1 5.7 30.9 108.2 385 418 A G H <> S+ 0 0 0 -3,-1.7 4,-1.6 -5,-0.3 3,-0.4 0.893 71.4 48.2 -50.8 -51.3 6.8 34.4 109.2 386 419 A A H > S+ 0 0 0 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.867 111.5 51.4 -61.4 -36.2 9.7 33.4 111.4 387 420 A Q H > S+ 0 0 1 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.786 101.5 61.0 -73.3 -25.9 11.0 31.0 108.7 388 421 A N H X S+ 0 0 0 -4,-1.7 4,-1.3 -3,-0.4 -1,-0.2 0.963 109.9 42.6 -60.5 -49.4 10.8 33.8 106.1 389 422 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.843 106.9 60.9 -66.2 -36.4 13.4 35.7 108.2 390 423 A R H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.938 103.7 51.7 -55.8 -47.3 15.4 32.6 108.9 391 424 A T H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.887 110.9 45.6 -59.9 -42.7 16.1 32.1 105.2 392 425 A M H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.896 110.8 53.5 -68.8 -38.8 17.3 35.7 104.7 393 426 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.874 106.6 53.0 -62.8 -37.4 19.5 35.6 107.7 394 427 A M H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.891 106.2 54.1 -64.6 -38.5 21.1 32.4 106.4 395 428 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.932 106.6 50.7 -61.4 -45.7 21.8 34.3 103.1 396 429 A Q H X>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 6,-0.6 0.796 109.5 51.4 -64.6 -27.1 23.6 37.1 105.0 397 430 A L H ><5S+ 0 0 0 -4,-1.4 3,-0.6 3,-0.2 -1,-0.2 0.908 109.3 49.3 -75.6 -40.4 25.7 34.5 106.8 398 431 A L H 3<5S+ 0 0 0 -4,-2.2 -133,-2.7 1,-0.2 -129,-0.2 0.871 113.1 47.7 -64.2 -36.5 26.8 32.8 103.6 399 432 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.2 -135,-0.2 -2,-0.2 0.586 109.5-124.7 -80.8 -11.0 27.7 36.2 102.1 400 433 A G T <<5 + 0 0 4 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.839 69.1 131.0 70.9 34.8 29.6 37.2 105.1 401 434 A N > < + 0 0 1 -5,-2.4 7,-2.1 -6,-0.1 3,-1.1 0.483 30.7 105.8 -99.9 -3.7 27.7 40.4 105.6 402 435 A M T 3 S+ 0 0 0 -6,-0.6 3,-0.1 1,-0.2 344,-0.1 -0.584 85.9 19.5 -79.0 139.4 26.7 40.3 109.3 403 436 A G T 3 S+ 0 0 0 1,-0.3 2,-0.3 342,-0.3 347,-0.2 0.385 99.5 124.7 85.9 -3.5 28.7 42.6 111.6 404 437 A M X - 0 0 2 -3,-1.1 3,-2.1 345,-0.1 2,-0.4 -0.673 70.0-114.3 -94.5 143.7 29.6 44.8 108.6 405 438 A A T 3 S+ 0 0 0 357,-0.4 3,-0.1 -2,-0.3 -218,-0.1 -0.596 111.3 20.2 -70.7 126.6 29.0 48.5 108.2 406 439 A G T 3 S+ 0 0 0 -2,-0.4 -215,-0.4 1,-0.3 -214,-0.3 0.541 122.1 70.9 89.0 5.7 26.6 48.6 105.3 407 440 A G < + 0 0 0 -3,-2.1 -1,-0.3 -217,-0.1 -5,-0.2 -0.103 55.9 87.0-123.1-138.0 25.5 45.0 105.8 408 441 A G S S- 0 0 0 -7,-2.1 -35,-1.3 -37,-0.1 2,-0.6 -0.039 81.9 -62.5 71.7-172.8 23.5 43.2 108.5 409 442 A V E -p 373 0G 0 -37,-0.2 -228,-2.1 -230,-0.1 2,-1.4 -0.927 40.1-165.2-118.6 103.8 19.8 42.6 108.9 410 443 A N E -p 374 0G 0 -37,-2.3 -35,-1.5 -2,-0.6 2,-1.3 -0.662 6.8-176.2 -94.5 82.9 17.8 45.8 109.2 411 444 A A E -p 375 0G 0 -2,-1.4 2,-0.6 -37,-0.2 -231,-0.2 -0.697 26.4-138.2 -77.5 96.5 14.5 44.5 110.5 412 445 A L - 0 0 3 -37,-1.8 -390,-0.1 -2,-1.3 -2,-0.1 -0.485 14.0-138.6 -69.9 111.9 12.7 47.8 110.5 413 446 A R - 0 0 7 -2,-0.6 -392,-0.7 -392,-0.1 183,-0.1 -0.153 8.5-145.2 -64.9 160.5 10.6 48.2 113.7 414 447 A G + 0 0 22 -394,-0.2 -393,-1.2 -393,-0.1 -392,-0.2 0.881 66.3 46.5 -92.8 -89.9 7.1 49.8 113.6 415 448 A H B > S-C 20 0B 18 -395,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.190 88.4-106.0 -56.8 152.3 5.8 51.9 116.4 416 449 A S T 3 S+ 0 0 4 -397,-1.7 -281,-0.2 -398,-0.5 -1,-0.1 0.783 117.5 19.7 -50.3 -33.9 8.0 54.6 117.8 417 450 A N T 3> S+ 0 0 0 -283,-1.9 4,-2.2 -398,-0.2 -1,-0.3 0.048 82.4 112.7-131.0 31.4 8.6 52.5 120.9 418 451 A I H <> S+ 0 0 4 -3,-1.4 4,-1.8 1,-0.2 5,-0.2 0.864 83.2 56.9 -68.6 -29.7 7.7 49.0 120.0 419 452 A Q H > S+ 0 0 1 175,-0.6 4,-2.7 -4,-0.5 -1,-0.2 0.938 107.4 47.3 -63.6 -44.3 11.4 48.3 120.5 420 453 A G H > S+ 0 0 0 174,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.904 111.6 48.6 -64.5 -43.1 11.3 49.7 124.0 421 454 A L H <>S+ 0 0 2 -4,-2.2 5,-2.5 2,-0.2 -1,-0.2 0.800 112.6 48.8 -69.3 -27.1 8.2 47.7 125.0 422 455 A T H ><5S+ 0 0 13 -4,-1.8 3,-1.4 3,-0.2 12,-0.3 0.928 111.6 50.3 -74.1 -44.0 9.7 44.5 123.7 423 456 A D H 3<5S+ 0 0 0 -4,-2.7 10,-2.7 1,-0.3 11,-0.6 0.893 111.2 48.7 -57.0 -42.5 12.9 45.3 125.6 424 457 A L T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 8,-0.2 -2,-0.2 0.485 116.4-117.5 -79.6 -3.0 10.9 45.9 128.7 425 458 A G T < 5 + 0 0 1 -3,-1.4 2,-2.0 -4,-0.2 5,-0.2 0.807 51.7 161.5 75.9 34.0 9.0 42.6 128.2 426 459 A L < + 0 0 0 -5,-2.5 -268,-0.4 3,-0.1 2,-0.3 -0.406 44.9 105.4 -84.6 62.3 5.4 43.6 127.7 427 460 A L S > S- 0 0 28 -2,-2.0 3,-2.4 -270,-0.2 -270,-0.3 -0.977 88.6 -92.4-137.5 145.3 4.6 40.3 126.1 428 461 A S T 3 S+ 0 0 0 -2,-0.3 -271,-0.1 1,-0.3 -1,-0.1 0.723 118.7 19.5 -25.7 -64.9 2.6 37.4 127.8 429 462 A T T 3 S+ 0 0 25 -3,-0.0 8,-2.9 2,-0.0 -1,-0.3 0.277 104.8 108.8-100.4 14.3 5.5 35.4 129.3 430 463 A S E < -X 436 0O 29 -3,-2.4 6,-0.2 6,-0.2 -3,-0.1 -0.487 42.8-168.7 -95.5 160.9 8.2 38.0 129.3 431 464 A L E >> -X 435 0O 0 4,-2.0 4,-0.8 -2,-0.2 3,-0.6 -0.834 48.8 -68.8-131.3 166.1 10.1 40.1 131.9 432 465 A P G >4 S+ 0 0 2 0, 0.0 3,-0.5 0, 0.0 -8,-0.2 -0.206 115.3 29.0 -59.5 150.2 12.4 43.1 131.2 433 466 A G G 34 S- 0 0 0 -10,-2.7 -9,-0.1 1,-0.2 -10,-0.1 0.772 131.8 -66.9 72.4 27.1 15.7 42.5 129.5 434 467 A Y G <4 S+ 0 0 64 -3,-0.6 -1,-0.2 -11,-0.6 2,-0.2 0.794 96.4 142.5 62.5 30.7 14.6 39.4 127.6 435 468 A L E << -X 431 0O 2 -4,-0.8 -4,-2.0 -3,-0.5 2,-0.4 -0.495 44.7-127.5 -90.5 168.7 14.2 37.5 130.8 436 469 A T E -X 430 0O 41 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.946 11.3-116.2-126.0 142.3 11.3 35.1 131.1 437 470 A L - 0 0 1 -8,-2.9 60,-0.1 -2,-0.4 2,-0.1 -0.355 50.8 -90.9 -66.6 155.0 8.5 34.6 133.8 438 471 A P - 0 0 0 0, 0.0 60,-1.8 0, 0.0 2,-0.2 -0.423 37.0-129.9 -68.2 143.5 8.8 31.3 135.6 439 472 A S B > -y 498 0P 11 58,-0.2 3,-1.7 1,-0.1 60,-0.2 -0.596 27.2-109.7 -86.4 158.9 6.8 28.4 134.0 440 473 A E T 3 S+ 0 0 31 58,-2.7 59,-0.1 1,-0.3 -324,-0.1 0.577 116.2 63.6 -67.3 -7.3 4.5 26.6 136.4 441 474 A K T 3 S+ 0 0 175 57,-0.3 2,-1.3 1,-0.1 -1,-0.3 0.622 82.5 82.9 -89.1 -15.0 6.8 23.5 136.2 442 475 A Q < + 0 0 30 -3,-1.7 -1,-0.1 1,-0.2 6,-0.1 -0.721 59.9 177.9 -91.2 87.9 9.7 25.4 137.7 443 476 A V + 0 0 81 -2,-1.3 2,-0.3 4,-0.0 -1,-0.2 0.601 58.6 25.1 -70.9 -15.3 8.8 25.0 141.4 444 477 A D S > S- 0 0 71 -3,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.961 83.7-101.0-146.5 166.2 11.8 26.8 142.8 445 478 A L H > S+ 0 0 19 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.873 118.0 54.6 -51.6 -45.0 14.4 29.5 142.1 446 479 A Q H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 109.9 45.6 -58.1 -46.4 17.1 26.9 141.4 447 480 A S H > S+ 0 0 42 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 113.4 51.5 -64.3 -39.5 15.0 25.1 138.7 448 481 A Y H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.940 111.9 44.3 -63.6 -50.1 14.0 28.4 137.2 449 482 A L H X S+ 0 0 29 -4,-2.8 4,-1.2 1,-0.2 3,-0.4 0.915 111.4 53.9 -63.9 -42.3 17.6 29.7 136.8 450 483 A E H < S+ 0 0 127 -4,-2.3 3,-0.4 -5,-0.3 -1,-0.2 0.893 108.1 50.4 -59.8 -38.7 18.8 26.3 135.5 451 484 A A H < S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 117.8 39.0 -69.8 -27.1 16.2 26.4 132.8 452 485 A N H < S+ 0 0 34 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.437 99.3 79.3-104.8 -1.3 17.1 29.9 131.7 453 486 A T S < S- 0 0 39 -4,-1.2 13,-0.1 -3,-0.4 2,-0.1 -0.900 75.4-145.7-110.1 103.4 20.9 29.8 132.1 454 487 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 14,-0.1 -0.412 5.7-132.1 -73.5 141.4 22.4 28.0 129.0 455 488 A K - 0 0 145 -2,-0.1 2,-0.1 1,-0.1 8,-0.1 -0.656 36.2-100.0 -86.8 146.9 25.4 25.8 129.1 456 489 A A - 0 0 25 -2,-0.3 341,-0.2 1,-0.1 -1,-0.1 -0.404 25.7-158.4 -66.2 143.9 28.0 26.5 126.5 457 490 A T S S+ 0 0 38 339,-1.7 -142,-2.9 1,-0.1 2,-0.3 0.419 78.1 33.1-106.1 2.4 27.9 24.1 123.5 458 491 A L S S- 0 0 13 338,-0.9 3,-0.5 -144,-0.2 -1,-0.1 -0.955 93.8-102.0-148.6 149.8 31.5 24.7 122.3 459 492 A A S S+ 0 0 39 -2,-0.3 -2,-0.1 1,-0.2 -145,-0.0 -0.348 95.9 26.4 -76.2 158.5 34.5 25.5 124.5 460 493 A D S S+ 0 0 105 1,-0.2 2,-0.3 329,-0.1 -1,-0.2 0.805 85.2 141.2 62.0 36.6 36.0 29.0 124.9 461 494 A Q - 0 0 31 -3,-0.5 -1,-0.2 328,-0.2 328,-0.1 -0.767 58.2-132.4-108.7 155.3 32.8 31.0 124.1 462 495 A V + 0 0 43 328,-0.3 4,-0.2 -2,-0.3 -1,-0.1 0.941 33.1 175.7 -66.8 -46.6 31.5 34.1 125.7 463 496 A N > - 0 0 11 332,-0.6 3,-1.9 329,-0.2 331,-0.2 0.898 9.3-172.9 38.9 58.9 28.0 32.6 126.2 464 497 A Y G > + 0 0 50 329,-2.3 3,-2.0 1,-0.3 330,-0.1 0.674 69.2 76.1 -57.1 -23.0 27.0 35.7 128.0 465 498 A W G > S+ 0 0 46 1,-0.3 3,-2.1 328,-0.2 -1,-0.3 0.573 71.4 87.2 -67.4 -3.1 23.5 34.4 129.1 466 499 A S G < S+ 0 0 54 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.692 80.5 64.9 -65.9 -14.5 25.5 32.4 131.7 467 500 A N G X> + 0 0 25 -3,-2.0 3,-1.5 1,-0.2 4,-1.2 0.333 65.2 117.1 -89.5 6.2 25.0 35.6 133.6 468 501 A Y H <> + 0 0 4 -3,-2.1 4,-2.7 1,-0.3 3,-0.2 0.822 67.9 59.2 -43.3 -45.6 21.2 35.3 133.8 469 502 A P H 3> S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.855 102.3 53.3 -57.0 -36.2 21.1 35.0 137.6 470 503 A K H <> S+ 0 0 63 -3,-1.5 4,-1.7 2,-0.2 224,-0.3 0.903 111.8 45.1 -66.0 -39.7 22.7 38.4 138.1 471 504 A F H X S+ 0 0 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G G >< S+ 0 0 26 -4,-1.8 3,-1.7 -5,-0.4 -1,-0.2 -0.284 76.2 1.5 57.4-131.0 13.6 46.1 147.4 482 515 A D G 3 S+ 0 0 146 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.702 125.9 69.1 -62.9 -20.2 14.2 45.0 151.0 483 516 A A G < S+ 0 0 30 -3,-1.9 2,-0.7 161,-0.2 -1,-0.3 0.700 87.0 75.7 -72.6 -18.6 11.3 42.5 150.7 484 517 A A < + 0 0 0 -3,-1.7 2,-0.3 6,-0.1 -1,-0.1 -0.859 64.8 150.7 -97.7 115.0 13.5 40.5 148.3 485 518 A Q > > - 0 0 74 -2,-0.7 5,-3.3 1,-0.1 3,-0.8 -0.900 60.3-104.3-137.8 166.9 16.2 38.6 150.2 486 519 A K G > 5S+ 0 0 147 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.891 116.8 63.6 -58.2 -38.8 18.1 35.3 149.8 487 520 A E G 3 5S+ 0 0 163 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.780 110.5 34.0 -57.5 -34.6 15.9 33.8 152.5 488 521 A N G X 5S- 0 0 58 -3,-0.8 3,-1.2 -5,-0.1 4,-0.4 0.036 119.8-103.4-112.0 26.0 12.7 34.1 150.5 489 522 A N G X 5 - 0 0 74 -3,-1.7 3,-1.6 1,-0.3 -3,-0.2 0.847 69.9 -64.2 56.8 40.0 14.4 33.4 147.2 490 523 A W G 3 - 0 0 2 -2,-1.0 4,-2.8 -348,-0.1 5,-0.2 -0.282 45.3-100.8 -72.7 163.3 -1.2 35.5 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C E H X S+ 0 0 70 -4,-3.4 4,-1.8 2,-0.2 5,-0.4 0.941 115.3 40.2 -53.0 -51.3 -43.5 115.2 54.6 1478 206 C K H X S+ 0 0 114 -4,-3.0 4,-2.7 -5,-0.3 5,-0.4 0.969 115.6 49.1 -64.3 -52.9 -45.1 113.0 51.9 1479 207 C A H X S+ 0 0 58 -4,-3.1 4,-2.1 -5,-0.2 5,-0.2 0.931 117.7 46.9 -48.3 -48.1 -46.3 110.3 54.4 1480 208 C E H X S+ 0 0 56 -4,-3.9 4,-1.7 -5,-0.2 3,-0.5 0.972 118.7 32.8 -52.8 -91.9 -47.7 113.2 56.4 1481 209 C A H X S+ 0 0 52 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.827 118.5 55.8 -36.1 -53.3 -49.5 115.4 53.9 1482 210 C K H X S+ 0 0 122 -4,-2.7 4,-1.7 -5,-0.4 3,-0.4 0.933 108.9 42.8 -53.4 -55.6 -50.5 112.5 51.8 1483 211 C K H X S+ 0 0 141 -4,-2.1 4,-1.1 -3,-0.5 -1,-0.2 0.782 115.5 50.7 -65.9 -22.5 -52.3 110.5 54.4 1484 212 C E H X>S+ 0 0 108 -4,-1.7 5,-0.8 -3,-0.3 4,-0.7 0.747 112.5 46.9 -82.1 -23.2 -53.9 113.7 55.7 1485 213 C S H <5S+ 0 0 78 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.674 107.7 58.4 -85.5 -21.5 -55.0 114.4 52.1 1486 214 C E H <5S+ 0 0 125 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.824 93.7 65.7 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