==== 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 HYDROLASE 24-DEC-08 2ZXG . COMPND 2 MOLECULE: AMINOPEPTIDASE N; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR Y.NAKAJIMA,K.ITO,T.YOSHIMOTO . 866 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 63 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 2 2 0 1 2 0 2 1 4 1 3 2 2 1 3 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 3 5 0 5 1 3 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 A P 0 0 114 0, 0.0 2,-0.2 0, 0.0 366,-0.0 0.000 360.0 360.0 360.0 157.0 68.7 56.6 29.7 2 6 A Q - 0 0 171 1,-0.1 2,-0.1 364,-0.1 363,-0.0 -0.479 360.0 -97.2 -83.2 155.7 72.0 55.4 31.2 3 7 A A - 0 0 21 -2,-0.2 2,-0.4 361,-0.0 363,-0.3 -0.402 33.7-140.4 -65.2 146.7 74.9 54.0 29.3 4 8 A K E -A 365 0A 86 361,-3.0 361,-2.5 -2,-0.1 2,-0.4 -0.890 14.6-143.4-110.4 147.2 75.2 50.3 29.0 5 9 A Y E > -A 364 0A 87 -2,-0.4 3,-2.0 359,-0.2 359,-0.2 -0.910 16.3-138.9-122.6 136.0 78.5 48.5 29.2 6 10 A R G > S+ 0 0 65 357,-1.9 3,-1.7 -2,-0.4 -1,-0.1 0.856 104.2 62.1 -55.5 -37.3 79.9 45.5 27.4 7 11 A H G 3 S+ 0 0 147 356,-0.4 -1,-0.3 1,-0.3 357,-0.1 0.605 92.7 66.9 -70.1 -8.8 81.6 44.3 30.6 8 12 A D G < + 0 0 110 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.373 69.0 139.1 -90.1 4.5 78.1 44.0 32.2 9 13 A Y < + 0 0 74 -3,-1.7 2,-0.3 -4,-0.1 299,-0.0 -0.231 24.7 173.6 -53.1 131.3 77.0 41.1 29.9 10 14 A R - 0 0 154 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.994 36.4-106.1-140.1 136.9 75.1 38.5 31.8 11 15 A A - 0 0 60 -2,-0.3 2,-0.1 1,-0.1 30,-0.0 -0.205 52.4 -90.9 -55.0 146.1 73.3 35.4 30.4 12 16 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.355 19.2-139.5 -68.1 142.1 69.5 35.8 30.5 13 17 A D S S+ 0 0 36 28,-0.1 28,-3.1 1,-0.1 29,-2.4 0.789 91.3 29.1 -65.6 -29.0 67.5 34.6 33.5 14 18 A Y E -B 40 0B 4 26,-0.3 2,-0.3 27,-0.2 26,-0.2 -0.984 67.8-157.0-133.3 144.5 64.9 33.3 31.1 15 19 A Q E -B 39 0B 39 24,-2.8 24,-2.6 -2,-0.4 2,-0.5 -0.853 9.9-147.3-108.2 152.1 64.8 31.9 27.6 16 20 A I E -B 38 0B 0 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.996 15.8-179.9-115.8 121.9 61.9 31.8 25.2 17 21 A T E + 0 0 44 20,-2.4 119,-2.3 -2,-0.5 2,-0.3 0.710 66.6 17.0 -93.5 -25.9 62.1 28.8 23.0 18 22 A D E -Bc 37 136B 51 19,-0.8 19,-2.7 117,-0.3 2,-0.4 -0.994 60.5-169.7-151.4 138.2 59.0 29.2 20.9 19 23 A I E -Bc 36 137B 3 117,-2.6 119,-2.2 -2,-0.3 2,-0.6 -0.994 7.0-162.2-138.2 130.1 56.6 32.1 20.2 20 24 A D E -Bc 35 138B 56 15,-2.6 15,-2.7 -2,-0.4 2,-0.4 -0.960 18.2-167.0-109.0 115.1 53.2 32.1 18.5 21 25 A L E -Bc 34 139B 0 117,-3.2 119,-3.2 -2,-0.6 2,-0.4 -0.825 11.4-170.6-105.5 142.0 52.2 35.6 17.3 22 26 A T E -Bc 33 140B 28 11,-2.5 11,-2.6 -2,-0.4 2,-0.5 -0.999 5.2-165.7-125.9 129.3 48.8 36.7 16.1 23 27 A F E -Bc 32 141B 0 117,-2.7 119,-3.0 -2,-0.4 2,-1.1 -0.963 12.5-164.2-112.7 117.3 48.3 40.2 14.6 24 28 A D E -Bc 31 142B 68 7,-3.0 7,-2.0 -2,-0.5 2,-0.3 -0.858 36.7-146.9 -91.5 95.9 44.9 41.6 14.1 25 29 A L + 0 0 1 117,-2.8 119,-0.4 -2,-1.1 2,-0.3 -0.513 38.5 141.0 -81.3 134.1 46.1 44.2 11.7 26 30 A D - 0 0 68 -2,-0.3 71,-0.1 117,-0.1 -2,-0.1 -0.922 49.7-127.1-161.4 141.3 44.8 47.7 11.3 27 31 A A S S+ 0 0 3 -2,-0.3 70,-3.1 1,-0.2 71,-0.3 0.847 110.3 37.8 -61.2 -35.8 46.7 50.9 10.6 28 32 A Q S S+ 0 0 131 1,-0.3 2,-0.4 68,-0.2 -1,-0.2 0.885 133.2 12.4 -82.1 -42.2 45.0 52.7 13.6 29 33 A K - 0 0 117 66,-0.1 2,-0.4 68,-0.0 -1,-0.3 -0.881 64.3-176.1-145.2 107.0 44.9 49.9 16.1 30 34 A T E - D 0 94B 0 64,-2.8 64,-2.1 -2,-0.4 2,-0.6 -0.883 15.1-149.3-101.9 133.0 46.7 46.6 15.8 31 35 A V E -BD 24 93B 38 -7,-2.0 -7,-3.0 -2,-0.4 2,-0.5 -0.920 11.6-163.0-105.2 123.1 46.1 43.9 18.4 32 36 A V E -BD 23 92B 0 60,-3.0 60,-2.3 -2,-0.6 2,-0.5 -0.910 7.5-170.9-108.2 127.6 49.0 41.6 19.1 33 37 A T E -BD 22 91B 31 -11,-2.6 -11,-2.5 -2,-0.5 2,-0.5 -0.983 9.7-173.3-115.1 123.9 48.6 38.3 20.9 34 38 A A E -BD 21 90B 3 56,-3.0 56,-2.4 -2,-0.5 2,-0.6 -0.961 9.9-171.2-125.9 118.4 51.9 36.7 21.8 35 39 A V E -BD 20 89B 33 -15,-2.7 -15,-2.6 -2,-0.5 2,-0.4 -0.923 15.5-175.9-112.8 108.1 52.1 33.2 23.3 36 40 A S E -BD 19 88B 3 52,-2.9 52,-3.0 -2,-0.6 2,-0.7 -0.865 24.7-142.0-110.8 137.3 55.7 32.3 24.4 37 41 A Q E -BD 18 87B 71 -19,-2.7 -20,-2.4 -2,-0.4 -19,-0.8 -0.891 32.5-166.6 -95.4 113.2 57.1 29.1 25.8 38 42 A A E -BD 16 86B 2 48,-2.8 48,-1.8 -2,-0.7 2,-0.4 -0.736 16.1-168.6-109.0 149.5 59.5 30.2 28.5 39 43 A V E -BD 15 85B 18 -24,-2.6 -24,-2.8 -2,-0.3 2,-0.3 -0.988 20.5-131.9-138.4 123.4 62.2 28.4 30.4 40 44 A R E +B 14 0B 33 44,-3.1 -26,-0.3 -2,-0.4 -27,-0.1 -0.602 30.0 165.4 -77.8 131.8 64.0 29.7 33.5 41 45 A H + 0 0 127 -28,-3.1 -27,-0.2 -2,-0.3 -1,-0.2 0.604 60.3 60.8-111.6 -26.7 67.8 29.4 33.5 42 46 A G S S- 0 0 29 -29,-2.4 -29,-0.1 1,-0.2 -2,-0.0 0.105 104.0 -32.1 -88.2-158.6 68.7 31.8 36.4 43 47 A A > - 0 0 57 1,-0.1 3,-2.1 2,-0.1 -1,-0.2 -0.250 55.9-122.6 -62.9 144.2 67.8 31.9 40.1 44 48 A S T 3 S+ 0 0 96 1,-0.3 38,-0.2 -3,-0.1 -1,-0.1 0.734 112.2 51.7 -64.5 -20.7 64.4 30.5 41.0 45 49 A D T 3 S+ 0 0 142 36,-0.1 -1,-0.3 2,-0.1 36,-0.2 0.333 83.6 119.9 -92.5 4.8 63.4 33.8 42.6 46 50 A A < - 0 0 9 -3,-2.1 36,-0.3 -33,-0.1 2,-0.1 -0.518 59.3-134.0 -75.0 133.7 64.3 35.8 39.5 47 51 A P - 0 0 29 0, 0.0 2,-0.6 0, 0.0 33,-0.2 -0.467 21.3-111.0 -78.9 158.7 61.5 37.8 37.9 48 52 A L E -I 79 0C 1 31,-2.8 31,-3.1 -2,-0.1 2,-0.6 -0.840 31.8-159.4 -86.6 121.3 61.0 37.8 34.1 49 53 A R E -I 78 0C 137 -2,-0.6 2,-0.4 29,-0.2 29,-0.2 -0.914 8.7-170.6-109.1 110.3 61.8 41.2 32.8 50 54 A L E -I 77 0C 1 27,-2.8 27,-2.3 -2,-0.6 2,-0.3 -0.863 17.9-130.3-103.3 136.6 60.3 42.0 29.4 51 55 A N E +IJ 76 127C 40 76,-2.7 76,-2.1 -2,-0.4 2,-0.3 -0.605 34.0 164.9 -80.6 140.3 61.2 45.0 27.3 52 56 A G - 0 0 4 23,-2.0 2,-0.4 -2,-0.3 71,-0.2 -0.958 17.5-169.6-157.1 141.1 58.4 47.1 25.9 53 57 A E S S- 0 0 62 69,-2.6 21,-0.0 -2,-0.3 -2,-0.0 -0.989 72.8 -12.2-135.4 124.8 58.0 50.6 24.4 54 58 A D S S+ 0 0 156 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.906 89.9 147.3 56.7 50.8 54.8 52.5 23.6 55 59 A L - 0 0 25 39,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.891 47.2-140.4-113.6 145.4 52.5 49.4 24.1 56 60 A K E -E 93 0B 137 37,-2.3 37,-2.4 -2,-0.4 2,-0.2 -0.904 26.4-143.0-104.0 103.6 49.0 49.4 25.5 57 61 A L E +E 92 0B 31 -2,-0.8 35,-0.3 35,-0.2 3,-0.1 -0.499 26.3 173.0 -69.8 129.2 48.9 46.3 27.7 58 62 A V E - 0 0 75 33,-3.1 2,-0.3 1,-0.4 34,-0.2 0.793 60.4 -19.6-101.6 -48.1 45.5 44.4 27.5 59 63 A S E -E 91 0B 30 32,-1.7 32,-2.0 2,-0.0 2,-0.4 -0.995 43.6-149.0-162.3 159.5 46.3 41.3 29.5 60 64 A V E +E 90 0B 7 -2,-0.3 7,-2.7 30,-0.2 2,-0.4 -0.995 20.5 175.9-132.8 122.9 48.9 38.9 31.0 61 65 A H E -EF 89 66B 42 28,-2.4 28,-2.8 -2,-0.4 2,-0.5 -0.971 17.7-159.3-126.2 147.3 48.3 35.1 31.5 62 66 A I E > S-EF 88 65B 3 3,-2.3 3,-2.2 -2,-0.4 26,-0.2 -0.992 89.6 -14.6-121.8 118.3 50.6 32.4 32.7 63 67 A N T 3 S- 0 0 89 24,-3.0 -1,-0.1 -2,-0.5 25,-0.1 0.891 130.3 -56.6 52.0 42.2 49.4 28.9 31.6 64 68 A D T 3 S+ 0 0 126 23,-0.4 -1,-0.3 1,-0.2 24,-0.1 0.370 111.5 126.1 68.9 1.0 46.0 30.6 30.8 65 69 A E E < S-F 62 0B 119 -3,-2.2 -3,-2.3 1,-0.0 -1,-0.2 -0.765 70.9-115.5 -87.5 122.2 45.8 31.9 34.4 66 70 A P E -F 61 0B 73 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.397 38.6-131.9 -54.5 125.1 45.2 35.7 34.6 67 71 A W + 0 0 51 -7,-2.7 -7,-0.2 1,-0.1 3,-0.1 -0.711 33.5 174.1 -95.4 131.5 48.4 36.9 36.3 68 72 A T + 0 0 136 -2,-0.4 2,-1.4 1,-0.1 -1,-0.1 0.593 63.7 83.2-104.8 -15.7 48.4 39.3 39.3 69 73 A A S S+ 0 0 24 11,-0.2 11,-2.7 12,-0.1 2,-0.3 -0.529 73.2 95.3 -92.5 68.4 52.1 39.2 40.2 70 74 A W E -K 79 0C 95 -2,-1.4 2,-0.3 9,-0.2 9,-0.2 -0.987 47.1-165.1-149.3 158.2 53.4 41.8 37.7 71 75 A K E -K 78 0C 140 7,-2.2 7,-3.1 -2,-0.3 2,-0.4 -0.992 17.2-135.2-144.1 141.5 54.2 45.5 37.4 72 76 A E E +K 77 0C 75 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.813 32.1 167.6 -90.2 137.2 54.9 47.9 34.5 73 77 A E E > -K 76 0C 99 3,-2.5 3,-2.4 -2,-0.4 2,-0.1 -0.811 51.6 -47.0-135.3 178.0 57.8 50.2 34.8 74 78 A E T 3 S- 0 0 170 1,-0.3 3,-0.1 -2,-0.3 -21,-0.1 -0.308 126.3 -13.1 -53.3 117.0 59.7 52.5 32.5 75 79 A G T 3 S+ 0 0 16 1,-0.1 -23,-2.0 -2,-0.1 2,-0.3 0.580 125.8 80.0 71.7 11.4 60.4 50.4 29.3 76 80 A A E < -IK 51 73C 11 -3,-2.4 -3,-2.5 -25,-0.3 2,-0.4 -0.983 59.4-149.8-153.0 155.0 59.4 47.1 31.0 77 81 A L E -IK 50 72C 0 -27,-2.3 -27,-2.8 -2,-0.3 2,-0.6 -0.993 26.8-160.1-122.3 119.6 56.9 44.6 32.2 78 82 A V E -IK 49 71C 15 -7,-3.1 -7,-2.2 -2,-0.4 2,-0.5 -0.907 4.3-165.6-110.2 120.2 58.3 42.7 35.3 79 83 A I E -IK 48 70C 0 -31,-3.1 -31,-2.8 -2,-0.6 -9,-0.2 -0.920 9.9-163.8-113.7 120.6 56.6 39.4 36.0 80 84 A S + 0 0 43 -11,-2.7 -11,-0.2 -2,-0.5 -34,-0.1 -0.596 54.0 24.9-103.7 161.2 57.2 37.7 39.4 81 85 A N S S+ 0 0 129 -2,-0.2 -1,-0.2 -36,-0.2 -12,-0.1 0.883 76.3 168.9 64.5 51.2 56.8 34.4 41.1 82 86 A L - 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0 0 8 203,-3.0 205,-0.4 -2,-0.5 3,-0.1 -0.646 17.6-171.1 -82.9 125.9 89.7 72.1 8.5 629 633 A D > - 0 0 35 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.893 8.5-176.6-108.0 95.5 89.1 75.2 6.4 630 634 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 161,-0.3 0.778 78.4 52.5 -72.9 -22.8 86.2 74.1 4.3 631 635 A I H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 111.5 46.2 -74.2 -47.4 85.9 77.2 2.2 632 636 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 113.0 51.5 -55.7 -46.0 89.6 77.0 1.2 633 637 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.940 111.5 45.8 -58.7 -48.4 89.2 73.2 0.5 634 638 A A H X S+ 0 0 31 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.910 115.8 45.4 -62.5 -42.7 86.2 73.8 -1.8 635 639 A E H X S+ 0 0 102 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.881 112.9 49.8 -73.2 -35.1 87.8 76.6 -3.7 636 640 A V H X S+ 0 0 6 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.892 107.9 54.7 -66.6 -39.7 91.1 74.8 -4.1 637 641 A R H X S+ 0 0 68 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.936 112.3 43.2 -60.4 -43.7 89.3 71.7 -5.4 638 642 A E H X S+ 0 0 57 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.915 113.4 51.5 -66.4 -42.3 87.6 73.9 -8.0 639 643 A A H X S+ 0 0 31 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 110.3 48.9 -62.8 -39.9 90.9 75.7 -8.8 640 644 A L H X S+ 0 0 8 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.906 111.3 50.2 -64.0 -42.2 92.7 72.3 -9.2 641 645 A T H X S+ 0 0 12 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.924 112.4 47.4 -59.7 -47.2 89.9 71.1 -11.5 642 646 A R H X S+ 0 0 103 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.886 111.0 50.8 -62.8 -42.9 90.1 74.3 -13.6 643 647 A T H X S+ 0 0 43 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.931 113.9 43.3 -63.4 -44.8 93.9 74.1 -13.9 644 648 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.888 111.3 56.2 -69.4 -36.3 93.9 70.5 -15.0 645 649 A A H < S+ 0 0 3 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.909 113.3 41.4 -57.4 -44.0 91.0 71.3 -17.4 646 650 A T H >< S+ 0 0 96 -4,-2.3 3,-0.9 1,-0.2 4,-0.2 0.945 117.1 45.3 -71.4 -49.2 93.1 74.1 -19.0 647 651 A E H 3< S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.737 124.8 33.6 -67.9 -25.7 96.4 72.2 -19.1 648 652 A L T 3X S+ 0 0 1 -4,-2.0 4,-3.2 -5,-0.2 5,-0.3 0.189 77.8 125.2-116.8 16.9 94.8 69.0 -20.5 649 653 A A H <> S+ 0 0 41 -3,-0.9 4,-1.7 -4,-0.3 5,-0.1 0.827 78.4 41.7 -47.5 -47.2 92.0 70.4 -22.6 650 654 A D H > S+ 0 0 136 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 116.9 46.7 -70.3 -45.9 92.9 68.6 -25.9 651 655 A E H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.896 110.9 53.3 -64.0 -42.2 93.8 65.3 -24.2 652 656 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.904 110.9 46.0 -60.1 -42.3 90.6 65.3 -22.2 653 657 A L H X S+ 0 0 68 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.888 111.1 52.9 -69.6 -38.4 88.4 65.9 -25.2 654 658 A A H X S+ 0 0 52 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.932 114.0 42.1 -60.9 -45.8 90.3 63.1 -27.2 655 659 A I H X S+ 0 0 30 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.867 111.3 55.9 -73.1 -37.6 89.7 60.6 -24.4 656 660 A Y H < S+ 0 0 8 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.945 113.8 40.9 -53.7 -51.1 86.1 61.8 -23.9 657 661 A N H >< S+ 0 0 91 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.876 109.7 58.1 -67.2 -39.0 85.4 61.1 -27.6 658 662 A A H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.788 106.0 51.1 -62.3 -28.7 87.3 57.8 -27.7 659 663 A N T 3< S+ 0 0 19 -4,-1.4 -1,-0.3 -3,-0.3 18,-0.2 0.292 76.6 131.9 -99.2 10.2 85.1 56.3 -24.9 660 664 A Y < - 0 0 140 -3,-1.4 2,-0.4 -4,-0.1 -3,-0.0 -0.362 37.0-166.8 -57.0 137.1 81.8 57.1 -26.5 661 665 A Q - 0 0 26 1,-0.1 -2,-0.1 13,-0.0 -1,-0.0 -0.971 17.7-168.8-134.2 116.2 79.5 54.1 -26.5 662 666 A S S S+ 0 0 75 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.886 77.5 65.2 -71.4 -39.0 76.3 54.0 -28.5 663 667 A E S S- 0 0 115 2,-0.0 2,-0.6 1,-0.0 41,-0.0 -0.679 79.7-140.8 -81.3 137.5 75.0 50.9 -26.8 664 668 A Y + 0 0 32 -2,-0.3 2,-0.4 40,-0.1 -388,-0.1 -0.906 29.5 169.3 -99.4 121.4 74.2 51.1 -23.0 665 669 A R - 0 0 95 -2,-0.6 2,-1.6 2,-0.1 -2,-0.0 -0.997 39.6-140.6-132.6 136.0 75.3 48.0 -21.0 666 670 A V + 0 0 38 -2,-0.4 2,-0.3 4,-0.1 3,-0.0 -0.631 66.0 124.4 -87.7 72.4 75.5 47.4 -17.3 667 671 A E S > S- 0 0 111 -2,-1.6 4,-2.8 1,-0.1 3,-0.4 -0.989 71.0-118.6-139.2 140.1 78.7 45.5 -17.9 668 672 A H H > S+ 0 0 69 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.814 110.7 49.3 -59.2 -37.1 82.0 46.2 -16.2 669 673 A E H > S+ 0 0 163 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.921 116.0 44.5 -67.3 -40.9 84.1 47.0 -19.3 670 674 A D H > S+ 0 0 16 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.881 111.8 52.6 -66.6 -40.8 81.4 49.4 -20.5 671 675 A I H X S+ 0 0 13 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.902 108.4 51.9 -62.2 -40.1 81.0 50.9 -17.1 672 676 A A H X S+ 0 0 10 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.929 110.4 46.6 -61.9 -49.0 84.7 51.5 -16.9 673 677 A K H X S+ 0 0 73 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.900 114.9 47.3 -59.6 -42.2 84.8 53.3 -20.3 674 678 A R H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.865 109.7 52.4 -68.7 -39.0 81.8 55.4 -19.3 675 679 A T H X S+ 0 0 44 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.910 112.5 46.5 -64.5 -40.6 83.3 56.3 -15.9 676 680 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 111.6 50.8 -63.8 -48.0 86.4 57.4 -17.7 677 681 A R H X S+ 0 0 24 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.932 114.0 44.1 -55.4 -46.8 84.4 59.4 -20.3 678 682 A N H X S+ 0 0 14 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.778 107.5 58.6 -74.6 -24.8 82.5 61.2 -17.5 679 683 A A H X S+ 0 0 1 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.917 108.9 46.9 -63.3 -42.9 85.7 61.8 -15.4 680 684 A C H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.6 0.902 105.9 59.3 -62.2 -42.3 86.9 63.7 -18.5 681 685 A L H 3X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.860 95.6 62.5 -55.4 -39.3 83.6 65.5 -18.7 682 686 A R H 3< S+ 0 0 117 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.897 111.6 37.8 -54.1 -43.7 84.1 66.9 -15.1 683 687 A F H X< S+ 0 0 7 -4,-0.9 3,-2.1 -3,-0.6 -1,-0.2 0.892 111.3 58.0 -74.6 -42.0 87.2 68.8 -16.3 684 688 A L H >< S+ 0 0 21 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.791 94.3 67.8 -61.0 -27.2 85.7 69.6 -19.8 685 689 A A T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.707 98.1 53.5 -61.8 -23.2 82.9 71.4 -17.9 686 690 A F T < S+ 0 0 21 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.137 89.7 103.7-100.5 16.8 85.5 74.0 -16.8 687 691 A G S < S- 0 0 31 -3,-1.8 -41,-0.1 1,-0.2 6,-0.1 -0.030 93.2 -34.5 -77.4-169.1 86.8 74.7 -20.3 688 692 A E S > S- 0 0 120 1,-0.1 4,-3.0 4,-0.1 5,-0.3 -0.299 71.7-118.2 -51.2 132.5 85.9 77.8 -22.3 689 693 A T H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.834 107.6 41.9 -50.8 -51.5 82.4 78.7 -21.3 690 694 A H H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 116.9 48.9 -66.0 -42.2 80.6 78.4 -24.6 691 695 A L H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 115.4 44.5 -59.0 -47.6 82.5 75.2 -25.6 692 696 A A H X S+ 0 0 2 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.905 111.5 53.0 -63.6 -45.1 81.7 73.6 -22.2 693 697 A D H X S+ 0 0 27 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.896 111.1 46.5 -60.3 -42.4 78.1 74.7 -22.2 694 698 A V H X S+ 0 0 69 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.936 114.0 47.2 -66.7 -46.7 77.5 73.1 -25.6 695 699 A L H X S+ 0 0 34 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.914 115.3 45.1 -61.8 -46.3 79.3 69.9 -24.7 696 700 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.934 114.6 46.0 -66.9 -47.6 77.4 69.5 -21.4 697 701 A S H X S+ 0 0 26 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.877 110.9 55.2 -64.5 -36.5 74.0 70.3 -22.7 698 702 A K H X S+ 0 0 109 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.939 108.7 47.2 -59.9 -48.5 74.5 68.0 -25.7 699 703 A Q H X S+ 0 0 7 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.904 111.2 51.3 -61.9 -41.9 75.3 65.1 -23.4 700 704 A F H < S+ 0 0 29 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.929 117.7 38.4 -59.8 -45.1 72.3 65.8 -21.2 701 705 A H H < S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.828 120.7 43.1 -78.1 -32.5 69.9 65.9 -24.2 702 706 A E H < S+ 0 0 122 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.548 83.1 123.8 -90.8 -10.4 71.5 63.0 -26.2 703 707 A A < - 0 0 30 -4,-1.5 3,-0.0 -5,-0.2 -3,-0.0 -0.246 43.3-166.4 -54.8 133.9 72.0 60.6 -23.3 704 708 A N S S+ 0 0 89 -42,-0.0 2,-0.3 -41,-0.0 -1,-0.1 0.120 74.3 36.8-105.0 19.9 70.4 57.2 -23.7 705 709 A N S > S- 0 0 7 -428,-0.1 4,-1.7 1,-0.1 -428,-0.2 -0.972 84.7-112.0-162.9 157.9 70.8 56.3 -20.0 706 710 A M H > S+ 0 0 5 -430,-2.8 4,-3.0 -427,-0.5 5,-0.3 0.773 108.6 65.8 -72.2 -25.9 70.6 58.1 -16.7 707 711 A T H > S+ 0 0 19 -428,-0.4 4,-2.1 -431,-0.3 -1,-0.2 0.958 109.1 38.3 -57.6 -50.9 74.4 57.7 -15.9 708 712 A D H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 116.4 51.6 -71.2 -36.3 75.3 60.0 -18.8 709 713 A A H X S+ 0 0 14 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.950 112.7 45.3 -64.0 -48.3 72.3 62.4 -18.2 710 714 A L H X S+ 0 0 28 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.888 109.1 56.1 -64.3 -37.1 73.2 62.8 -14.5 711 715 A A H X S+ 0 0 22 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.925 111.1 44.6 -60.2 -43.4 76.9 63.3 -15.3 712 716 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.941 113.4 49.0 -66.9 -46.9 76.0 66.2 -17.6 713 717 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.915 110.5 52.0 -58.1 -43.0 73.6 67.7 -15.2 714 718 A S H X S+ 0 0 39 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.878 109.0 50.1 -60.8 -39.6 76.2 67.4 -12.4 715 719 A A H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 6,-0.2 0.886 106.7 54.3 -67.4 -40.4 78.8 69.2 -14.5 716 720 A A H <>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 4,-0.4 0.900 114.6 41.8 -60.5 -40.0 76.3 72.0 -15.3 717 721 A V H ><5S+ 0 0 5 -4,-1.9 3,-0.9 3,-0.2 -2,-0.2 0.937 114.2 50.9 -71.3 -47.0 75.8 72.6 -11.6 718 722 A A H 3<5S+ 0 0 43 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.892 120.0 34.5 -59.0 -42.3 79.5 72.1 -10.7 719 723 A A T 3<5S- 0 0 11 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.367 103.7-126.7 -97.3 3.5 80.7 74.7 -13.3 720 724 A Q T < 5 - 0 0 93 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.904 43.1-172.4 51.0 47.6 77.7 77.0 -13.0 721 725 A L > < - 0 0 11 -5,-2.0 3,-1.9 -6,-0.2 4,-0.3 -0.281 36.3-110.8 -72.7 153.7 77.2 76.8 -16.7 722 726 A P T 3 S+ 0 0 89 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.871 117.4 54.9 -49.2 -38.6 74.7 78.9 -18.6 723 727 A C T 3> S+ 0 0 15 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.591 81.7 97.3 -73.8 -8.8 72.6 75.8 -19.4 724 728 A R H <> S+ 0 0 54 -3,-1.9 4,-2.9 -8,-0.2 5,-0.2 0.878 81.2 45.5 -50.7 -55.3 72.3 74.8 -15.7 725 729 A D H > S+ 0 0 106 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.878 114.9 48.9 -61.8 -39.1 68.9 76.4 -14.9 726 730 A A H > S+ 0 0 50 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.940 113.3 46.0 -63.0 -50.1 67.3 75.0 -18.0 727 731 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.919 112.3 51.1 -61.7 -43.7 68.6 71.5 -17.5 728 732 A M H X S+ 0 0 10 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.893 112.4 46.1 -62.2 -38.7 67.6 71.5 -13.8 729 733 A Q H X S+ 0 0 98 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.901 110.3 53.2 -70.5 -39.4 64.0 72.5 -14.7 730 734 A E H X S+ 0 0 80 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.903 110.3 48.4 -60.6 -42.2 63.8 70.0 -17.5 731 735 A Y H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.928 111.5 49.0 -64.8 -47.1 64.8 67.2 -15.1 732 736 A D H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.952 112.0 49.3 -54.3 -51.7 62.2 68.4 -12.5 733 737 A D H < S+ 0 0 93 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 117.7 40.4 -58.2 -39.3 59.5 68.5 -15.1 734 738 A K H < S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.829 129.5 24.7 -77.1 -34.6 60.3 65.0 -16.3 735 739 A W H >< S+ 0 0 13 -4,-2.6 3,-2.8 -5,-0.2 7,-0.3 0.418 76.9 111.9-120.4 0.6 61.0 63.4 -13.0 736 740 A H T 3< S+ 0 0 70 -4,-2.3 -1,-0.1 1,-0.3 -3,-0.1 0.739 79.9 58.6 -52.3 -27.4 59.1 65.1 -10.1 737 741 A Q T 3 S+ 0 0 120 -5,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.565 94.4 75.2 -78.1 -10.0 56.8 62.1 -9.6 738 742 A N <> - 0 0 17 -3,-2.8 4,-2.7 1,-0.2 3,-0.2 -0.878 60.7-169.8-113.3 102.0 59.8 59.8 -8.9 739 743 A G H > S+ 0 0 19 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.889 86.1 51.7 -57.7 -46.9 61.3 60.3 -5.5 740 744 A L H > S+ 0 0 24 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.875 114.1 44.3 -58.9 -40.0 64.4 58.1 -6.1 741 745 A V H >> S+ 0 0 1 -3,-0.2 3,-1.0 1,-0.2 4,-0.8 0.903 111.6 53.3 -72.2 -40.1 65.2 60.0 -9.3 742 746 A M H 3X S+ 0 0 0 -4,-2.7 4,-2.9 -7,-0.3 3,-0.3 0.805 94.7 71.1 -65.5 -27.9 64.5 63.4 -7.6 743 747 A D H 3X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.872 94.8 53.6 -54.1 -36.2 67.0 62.5 -4.8 744 748 A K H < S+ 0 0 36 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.932 113.5 47.8 -62.9 -44.5 70.9 71.4 -5.3 750 754 A A H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 30,-0.3 -1,-0.2 0.764 116.1 42.3 -69.1 -29.7 72.4 70.8 -1.8 751 755 A T T 3< S+ 0 0 46 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.205 84.5 134.7-103.3 12.3 76.0 70.5 -3.0 752 756 A S < - 0 0 8 -3,-1.0 5,-0.1 -4,-0.2 -34,-0.1 -0.342 55.4-141.6 -64.3 140.6 75.8 73.4 -5.5 753 757 A P + 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.490 62.8 125.8 -77.5 -2.9 78.7 75.9 -5.5 754 758 A A > - 0 0 9 1,-0.1 3,-1.5 -37,-0.1 -37,-0.0 -0.222 69.6-127.1 -58.3 142.5 76.2 78.8 -6.1 755 759 A A T 3 S+ 0 0 112 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.821 108.4 52.7 -57.9 -32.6 76.3 81.6 -3.6 756 760 A N T 3> S+ 0 0 79 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.122 71.0 122.9 -93.6 20.9 72.6 81.3 -2.9 757 761 A V H <> S+ 0 0 9 -3,-1.5 4,-3.1 1,-0.2 5,-0.2 0.882 72.4 48.8 -53.5 -46.0 72.7 77.5 -2.1 758 762 A L H > S+ 0 0 28 -3,-0.4 4,-3.1 1,-0.2 5,-0.3 0.934 110.6 51.3 -62.6 -43.4 71.1 77.8 1.4 759 763 A E H > S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 113.0 46.7 -55.4 -43.7 68.3 80.0 0.2 760 764 A T H X S+ 0 0 40 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.943 112.2 49.2 -65.5 -48.9 67.6 77.4 -2.6 761 765 A V H X S+ 0 0 0 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.924 111.0 49.6 -57.3 -48.2 67.8 74.4 -0.1 762 766 A R H >< S+ 0 0 84 -4,-3.1 3,-1.3 1,-0.2 4,-0.2 0.916 110.0 52.1 -56.7 -43.4 65.4 76.1 2.3 763 767 A G H >< S+ 0 0 45 -4,-2.1 3,-1.9 -5,-0.3 -1,-0.2 0.870 100.0 63.3 -60.7 -36.6 63.0 76.8 -0.6 764 768 A L H >< S+ 0 0 17 -4,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.617 79.7 80.5 -70.6 -10.1 63.1 73.2 -1.6 765 769 A L T << S+ 0 0 33 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.756 97.9 47.0 -59.9 -20.7 61.5 72.2 1.7 766 770 A Q T < S+ 0 0 164 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.319 85.9 125.3-101.7 4.1 58.3 73.3 -0.1 767 771 A H X - 0 0 24 -3,-1.6 3,-1.9 1,-0.1 -3,-0.0 -0.390 69.2-124.2 -70.4 143.4 59.1 71.4 -3.3 768 772 A R T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.746 111.3 50.2 -58.7 -25.8 56.4 69.0 -4.5 769 773 A S T 3 S+ 0 0 15 -5,-0.1 2,-0.3 -31,-0.1 -1,-0.3 0.445 98.7 84.0 -93.7 -3.5 58.9 66.1 -4.5 770 774 A F < + 0 0 16 -3,-1.9 2,-0.3 -6,-0.2 3,-0.0 -0.797 48.1 167.4-101.4 144.6 60.2 66.7 -1.0 771 775 A T > - 0 0 56 -2,-0.3 3,-1.4 3,-0.2 7,-0.3 -0.949 36.6-142.9-152.7 139.5 58.8 65.6 2.3 772 776 A M T 3 S+ 0 0 28 -2,-0.3 -1,-0.1 1,-0.2 6,-0.0 0.591 99.9 70.1 -67.5 -12.6 60.0 65.5 5.9 773 777 A S T 3 S+ 0 0 48 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.563 87.8 73.5 -80.9 -10.5 58.2 62.1 6.3 774 778 A N <> - 0 0 0 -3,-1.4 4,-2.3 1,-0.1 3,-0.5 -0.911 65.7-155.6-115.7 113.3 60.7 60.3 4.0 775 779 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.821 96.0 55.6 -52.9 -35.3 64.2 59.5 5.2 776 780 A N H > S+ 0 0 15 -524,-0.3 4,-2.1 2,-0.2 5,-0.1 0.916 108.9 46.5 -65.5 -42.5 65.5 59.4 1.6 777 781 A R H > S+ 0 0 13 -3,-0.5 4,-1.9 2,-0.2 5,-0.4 0.927 112.5 51.2 -62.5 -45.6 64.3 62.9 0.9 778 782 A I H X>S+ 0 0 1 -4,-2.3 5,-2.2 -7,-0.3 4,-1.3 0.936 112.9 44.7 -57.2 -48.5 65.7 64.1 4.2 779 783 A R H <>S+ 0 0 96 -4,-2.6 5,-1.1 3,-0.2 -1,-0.2 0.869 112.8 51.2 -65.9 -36.2 69.1 62.6 3.4 780 784 A S H <5S+ 0 0 7 -4,-2.1 -30,-0.3 3,-0.2 -1,-0.2 0.775 125.9 21.5 -76.5 -27.7 69.2 63.8 -0.2 781 785 A L H X5S+ 0 0 0 -4,-1.9 4,-1.4 -3,-0.2 -3,-0.2 0.849 136.4 24.6-101.6 -60.8 68.4 67.5 0.6 782 786 A I H X5S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.4 5,-0.2 0.930 126.0 45.9 -78.0 -46.0 69.2 68.2 4.2 783 787 A G H >XS+ 0 0 18 -5,-2.2 4,-2.7 1,-0.2 5,-0.6 0.890 112.0 52.0 -62.7 -41.2 71.9 65.6 4.8 784 788 A A H >XS+ 0 0 6 -5,-1.1 4,-1.9 -6,-0.3 5,-0.5 0.910 111.3 48.5 -63.2 -39.8 73.6 66.3 1.5 785 789 A F H X5S+ 0 0 1 -4,-1.4 4,-1.1 3,-0.2 8,-0.4 0.973 118.5 37.1 -63.2 -53.8 73.8 70.0 2.4 786 790 A A H <5S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.873 131.2 27.6 -69.6 -38.0 75.2 69.5 5.9 787 791 A G H <5S+ 0 0 24 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.782 128.9 34.7 -97.1 -32.5 77.5 66.6 5.2 788 792 A S H <X< + 0 0 19 -4,-1.1 4,-3.1 -5,-0.5 3,-0.7 -0.485 60.0 156.2-121.9 60.7 78.6 70.8 1.3 790 794 A P H 3> S+ 0 0 12 0, 0.0 4,-2.6 0, 0.0 -159,-0.1 0.830 70.5 63.3 -57.7 -29.6 80.8 71.6 4.3 791 795 A A H 34 S+ 0 0 22 -161,-0.3 -160,-0.1 2,-0.2 -2,-0.1 0.925 114.6 31.4 -59.0 -43.5 81.8 74.9 2.6 792 796 A A H X4 S+ 0 0 18 -3,-0.7 3,-1.8 -7,-0.2 8,-0.3 0.872 117.5 55.0 -79.4 -40.1 78.2 76.1 2.7 793 797 A F H 3< S+ 0 0 0 -4,-3.1 8,-0.3 -8,-0.4 7,-0.2 0.888 112.6 46.0 -59.6 -36.8 77.3 74.3 5.9 794 798 A H T 3< S+ 0 0 3 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.015 80.5 157.6 -96.5 26.4 80.2 76.1 7.5 795 799 A A X - 0 0 25 -3,-1.8 3,-2.1 1,-0.1 5,-0.2 -0.224 52.5-119.4 -48.7 139.8 79.4 79.5 6.1 796 800 A E T 3 S+ 0 0 146 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.786 109.8 63.4 -61.7 -28.7 81.1 82.1 8.4 797 801 A D T 3 S- 0 0 118 1,-0.1 -1,-0.3 42,-0.0 -2,-0.1 0.543 108.3-121.7 -73.0 -9.0 77.7 83.7 9.3 798 802 A G S <> S+ 0 0 4 -3,-2.1 4,-1.9 3,-0.0 3,-0.2 0.540 71.9 132.7 82.8 6.5 76.6 80.5 11.0 799 803 A S H > + 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.824 67.3 57.1 -61.3 -33.3 73.5 80.2 8.8 800 804 A G H > S+ 0 0 0 -8,-0.3 4,-2.4 -5,-0.2 -1,-0.2 0.921 107.3 47.5 -64.6 -43.5 74.2 76.5 8.0 801 805 A Y H > S+ 0 0 2 -8,-0.3 4,-2.3 -6,-0.2 -2,-0.2 0.907 111.1 50.8 -63.3 -42.3 74.2 75.6 11.7 802 806 A L H X S+ 0 0 99 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.903 109.8 50.9 -64.1 -41.6 71.0 77.5 12.3 803 807 A F H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.943 110.2 48.9 -58.5 -50.0 69.3 75.7 9.4 804 808 A L H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.883 107.4 55.6 -60.5 -38.4 70.4 72.3 10.7 805 809 A V H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.923 107.1 50.1 -59.6 -44.4 69.1 73.2 14.2 806 810 A E H X S+ 0 0 89 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.936 113.4 45.9 -56.8 -47.2 65.6 73.9 12.7 807 811 A M H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.908 113.4 48.5 -66.6 -40.6 65.6 70.6 10.9 808 812 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.787 102.9 61.9 -70.5 -27.4 66.8 68.6 13.9 809 813 A T H X S+ 0 0 55 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.897 112.0 39.1 -63.7 -39.3 64.2 70.2 16.1 810 814 A D H >X S+ 0 0 54 -4,-1.4 4,-2.1 -3,-0.2 3,-1.3 0.969 118.3 46.8 -68.6 -54.7 61.6 68.7 13.9 811 815 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 8,-0.4 0.769 97.7 69.3 -70.1 -26.1 63.3 65.4 13.3 812 816 A N H 3< S+ 0 0 5 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 0.871 113.7 31.2 -54.4 -37.7 64.2 64.8 17.0 813 817 A S H << S+ 0 0 82 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.860 125.6 43.9 -85.5 -40.8 60.4 64.3 17.6 814 818 A R H < S- 0 0 77 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.934 134.7 -6.7 -72.8 -50.3 59.5 62.8 14.2 815 819 A N X - 0 0 5 -4,-2.3 4,-2.4 -5,-0.1 3,-0.3 -0.692 57.8-174.1-156.5 84.2 62.3 60.3 13.6 816 820 A P H > S+ 0 0 25 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.819 84.7 58.7 -58.8 -32.3 65.3 60.3 16.0 817 821 A Q H > S+ 0 0 27 -716,-0.2 4,-1.6 2,-0.2 5,-0.1 0.935 110.5 41.8 -63.5 -45.3 67.3 57.8 14.0 818 822 A V H > S+ 0 0 4 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.907 113.4 54.9 -68.0 -39.1 67.3 60.0 10.9 819 823 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 -8,-0.4 -2,-0.2 0.917 106.6 50.9 -56.3 -44.5 67.9 63.0 13.2 820 824 A S H X S+ 0 0 2 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.849 108.1 51.0 -68.7 -33.3 71.0 61.3 14.6 821 825 A R H >< S+ 0 0 131 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.922 112.3 49.4 -62.4 -41.6 72.4 60.6 11.2 822 826 A L H 3< S+ 0 0 6 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.738 101.0 61.4 -72.6 -25.4 71.9 64.3 10.3 823 827 A I H >X S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 4,-0.9 0.698 76.8 95.2 -74.8 -16.8 73.5 65.7 13.4 824 828 A E G X< S+ 0 0 27 -3,-0.8 3,-1.0 -4,-0.6 4,-0.5 0.827 76.4 57.4 -47.7 -46.6 77.0 64.2 12.6 825 829 A P G >4 S+ 0 0 25 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.833 104.7 53.8 -57.1 -28.6 78.4 67.3 10.9 826 830 A L G X4 S+ 0 0 0 -3,-1.9 3,-1.0 -4,-0.2 -2,-0.2 0.750 98.4 62.1 -75.3 -25.5 77.8 69.4 14.0 827 831 A I G << S+ 0 0 1 -3,-1.0 3,-0.4 -4,-0.9 -1,-0.2 0.558 88.6 71.5 -81.4 -2.8 79.7 67.0 16.3 828 832 A R G X + 0 0 45 -3,-0.7 3,-2.3 -4,-0.5 -1,-0.2 0.206 62.3 123.4 -90.2 14.6 83.0 67.6 14.3 829 833 A L G X + 0 0 1 -3,-1.0 3,-2.2 1,-0.3 -1,-0.2 0.778 59.9 63.8 -52.4 -37.0 83.2 71.1 15.8 830 834 A K G 3 S+ 0 0 113 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.636 92.3 65.8 -69.2 -10.1 86.7 70.8 17.3 831 835 A R G < S+ 0 0 35 -3,-2.3 -203,-3.0 -204,-0.1 -1,-0.3 0.514 97.7 72.4 -80.4 -6.7 88.2 70.2 13.8 832 836 A Y S < S- 0 0 15 -3,-2.2 -203,-0.1 -205,-0.2 5,-0.0 -0.567 93.3 -81.4-111.4 168.5 87.2 73.9 13.0 833 837 A D > - 0 0 54 -205,-0.4 4,-2.7 -2,-0.2 5,-0.2 -0.142 48.9 -99.5 -66.2 166.2 88.5 77.4 13.9 834 838 A A H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.833 120.0 52.3 -60.6 -39.6 87.4 79.0 17.2 835 839 A K H > S+ 0 0 145 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 112.6 46.3 -64.5 -43.2 84.7 81.2 15.7 836 840 A R H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 109.8 54.2 -63.2 -44.8 83.1 78.2 14.1 837 841 A Q H X S+ 0 0 40 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.892 106.1 53.4 -55.2 -42.1 83.4 76.1 17.3 838 842 A E H X S+ 0 0 135 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.932 112.1 43.2 -59.7 -46.8 81.6 78.8 19.2 839 843 A K H X S+ 0 0 66 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.885 115.0 49.4 -68.3 -38.8 78.6 78.9 16.8 840 844 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.908 110.4 50.7 -69.3 -39.6 78.5 75.1 16.6 841 845 A R H X S+ 0 0 80 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.920 108.9 51.8 -60.5 -41.9 78.6 74.8 20.4 842 846 A A H X S+ 0 0 61 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.904 110.1 49.4 -61.6 -40.6 75.7 77.3 20.6 843 847 A A H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.923 112.2 47.6 -62.1 -46.5 73.7 75.2 18.1 844 848 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.869 109.5 53.2 -64.5 -39.1 74.4 72.0 20.1 845 849 A E H X S+ 0 0 103 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.869 107.1 52.6 -64.4 -35.5 73.4 73.7 23.4 846 850 A Q H >< S+ 0 0 113 -4,-1.9 3,-0.5 2,-0.2 -2,-0.2 0.936 111.8 45.6 -62.3 -45.4 70.1 74.8 21.8 847 851 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.899 105.6 60.8 -65.0 -38.9 69.5 71.2 20.8 848 852 A K H 3< S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 102.7 53.5 -57.5 -30.6 70.5 69.9 24.3 849 853 A G T << S+ 0 0 65 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.385 80.4 130.2 -87.9 4.3 67.7 72.0 25.8 850 854 A L X - 0 0 39 -3,-1.9 3,-0.9 -4,-0.1 2,-0.1 -0.305 65.1-113.5 -60.8 137.1 64.9 70.5 23.6 851 855 A E T 3 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 -0.483 103.8 12.4 -60.4 138.9 61.8 69.2 25.3 852 856 A N T 3 S- 0 0 124 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.900 87.2-166.9 55.5 46.9 61.6 65.5 24.8 853 857 A L < - 0 0 41 -3,-0.9 -1,-0.2 -5,-0.1 -40,-0.0 -0.492 20.9-120.1 -64.5 127.5 65.2 65.2 23.6 854 858 A S > - 0 0 14 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.340 8.6-125.5 -68.3 150.4 65.8 61.8 22.1 855 859 A G H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 111.0 63.0 -58.6 -36.6 68.4 59.4 23.5 856 860 A D H > S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.932 112.3 32.9 -53.5 -52.1 69.8 59.2 20.0 857 861 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.871 112.8 62.1 -76.0 -37.5 70.6 62.9 19.9 858 862 A Y H X S+ 0 0 93 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.910 102.0 51.9 -53.0 -47.1 71.4 63.1 23.6 859 863 A E H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.916 115.8 39.5 -59.4 -45.2 74.3 60.7 23.3 860 864 A K H X S+ 0 0 14 -4,-1.0 4,-2.4 -5,-0.2 -2,-0.2 0.888 115.0 51.3 -72.8 -40.9 75.9 62.6 20.4 861 865 A I H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.931 109.6 51.3 -61.1 -46.9 75.3 66.1 21.8 862 866 A T H X S+ 0 0 56 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.926 112.5 45.1 -56.2 -51.0 76.8 65.1 25.2 863 867 A K H >< S+ 0 0 55 -4,-1.7 3,-0.6 -5,-0.3 -1,-0.2 0.912 113.2 50.9 -61.8 -40.5 80.0 63.8 23.6 864 868 A A H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 113.1 45.1 -67.8 -30.1 80.3 66.8 21.3 865 869 A L H 3< 0 0 34 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.509 360.0 360.0 -93.9 -6.6 79.9 69.3 24.2 866 870 A A << 0 0 112 -4,-0.9 -3,-0.0 -3,-0.6 -4,-0.0 -0.312 360.0 360.0 -67.0 360.0 82.3 67.5 26.5