==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-APR-13 4K5P . COMPND 2 MOLECULE: M1 FAMILY AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM FCB1/COLUMBIA; . AUTHOR S.MCGOWAN . 889 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 62 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 4 0 0 2 1 0 2 3 3 0 1 2 1 0 1 1 2 0 0 0 0 0 0 0 1 1 1 RESIDUES PER ALPHA HELIX . 3 1 1 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 . 2 4 1 3 2 2 1 0 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 3 2 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 1 196 A P 0 0 147 0, 0.0 2,-0.2 0, 0.0 374,-0.1 0.000 360.0 360.0 360.0 124.3 2.1 4.8 33.2 2 197 A K - 0 0 137 372,-0.1 2,-0.5 1,-0.0 371,-0.0 -0.491 360.0-138.5 -73.7 142.9 -1.0 5.5 31.1 3 198 A I - 0 0 72 -2,-0.2 2,-0.5 369,-0.0 371,-0.2 -0.932 9.3-151.0-107.8 124.9 -1.5 3.3 28.0 4 199 A H E -A 373 0A 65 369,-2.8 369,-1.8 -2,-0.5 2,-0.4 -0.832 12.3-159.6 -94.4 124.6 -2.7 5.0 24.8 5 200 A Y E > -A 372 0A 99 -2,-0.5 3,-1.5 367,-0.2 367,-0.3 -0.888 20.2-136.2-107.7 138.3 -4.7 2.8 22.5 6 201 A R G > S+ 0 0 59 365,-2.9 3,-1.2 -2,-0.4 366,-0.1 0.802 104.9 59.1 -56.1 -35.0 -5.2 3.5 18.8 7 202 A K G 3 S+ 0 0 170 364,-0.4 -1,-0.3 1,-0.2 365,-0.1 0.650 94.9 66.8 -70.4 -16.4 -8.9 2.6 19.1 8 203 A D G < + 0 0 93 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.291 68.1 135.3 -87.8 7.1 -9.4 5.4 21.7 9 204 A Y < + 0 0 69 -3,-1.2 307,-0.0 -4,-0.1 -3,-0.0 -0.358 22.3 160.4 -59.8 126.3 -8.7 8.4 19.3 10 205 A K - 0 0 80 -2,-0.1 -2,-0.0 0, 0.0 33,-0.0 -0.980 41.4-101.5-143.0 148.2 -11.2 11.2 19.7 11 206 A P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 30,-0.0 -0.182 44.2 -96.4 -63.4 153.5 -10.8 14.8 18.6 12 207 A S - 0 0 18 2,-0.2 31,-0.3 1,-0.1 32,-0.2 -0.372 17.7-135.5 -63.9 145.7 -10.0 17.6 21.2 13 208 A G S S+ 0 0 4 30,-0.2 28,-1.3 29,-0.1 2,-0.3 0.222 88.0 65.0 -85.3 16.1 -12.9 19.6 22.7 14 209 A F E -B 40 0B 12 26,-0.3 2,-0.4 29,-0.1 26,-0.2 -0.917 67.2-149.7-130.5 160.2 -10.7 22.7 22.1 15 210 A I E -B 39 0B 57 24,-2.6 24,-2.3 -2,-0.3 2,-0.5 -0.985 1.1-161.9-126.6 139.3 -9.2 24.6 19.1 16 211 A I E +B 38 0B 1 -2,-0.4 22,-0.2 125,-0.3 3,-0.1 -0.978 17.0 168.9-118.6 113.5 -5.9 26.5 19.1 17 212 A N E + 0 0 59 20,-3.0 126,-1.9 -2,-0.5 2,-0.4 0.765 61.7 22.5 -93.1 -34.5 -6.0 28.9 16.2 18 213 A Q E -Bc 37 143B 34 19,-1.4 19,-2.6 124,-0.2 2,-0.4 -0.998 54.9-165.0-143.0 134.6 -3.0 31.1 16.9 19 214 A V E -Bc 36 144B 0 124,-3.1 126,-2.4 -2,-0.4 2,-0.5 -0.979 5.9-172.6-116.4 132.2 0.2 30.9 18.9 20 215 A T E -Bc 35 145B 44 15,-2.1 15,-1.9 -2,-0.4 2,-0.4 -0.963 14.8-170.5-124.9 112.9 2.2 34.0 19.6 21 216 A L E -Bc 34 146B 0 124,-2.8 126,-3.3 -2,-0.5 2,-0.5 -0.816 21.5-173.6-111.8 144.1 5.6 33.2 21.3 22 217 A N E -Bc 33 147B 57 11,-2.6 11,-2.8 -2,-0.4 2,-0.6 -0.978 11.3-173.1-129.4 117.0 8.2 35.3 22.8 23 218 A I E -Bc 32 148B 1 124,-3.3 126,-2.4 -2,-0.5 2,-0.7 -0.942 2.0-170.2-114.5 107.7 11.3 33.3 23.7 24 219 A N E -Bc 31 149B 13 7,-2.8 7,-2.4 -2,-0.6 2,-0.6 -0.889 8.3-155.8-106.3 111.4 13.8 35.3 25.7 25 220 A I E +B 30 0B 5 124,-2.9 126,-0.3 -2,-0.7 5,-0.2 -0.754 16.9 174.3 -92.7 119.8 17.1 33.5 26.1 26 221 A H - 0 0 71 3,-3.0 3,-0.3 -2,-0.6 123,-0.0 -0.708 43.6-105.9-117.3 171.1 19.2 34.5 29.1 27 222 A D S S+ 0 0 127 -2,-0.2 77,-0.1 1,-0.2 3,-0.1 0.881 119.1 26.8 -71.2 -33.7 22.5 33.0 30.4 28 223 A Q S S+ 0 0 164 1,-0.2 2,-0.3 75,-0.0 -1,-0.2 0.386 132.5 4.8-104.0 6.7 21.0 31.2 33.4 29 224 A E - 0 0 70 -3,-0.3 -3,-3.0 73,-0.1 2,-0.5 -0.976 56.2-129.7 179.7 156.3 17.3 30.8 32.0 30 225 A T E -BD 25 101B 0 71,-2.5 71,-2.5 -2,-0.3 2,-0.5 -0.997 19.8-153.9-125.1 126.4 14.9 31.2 29.2 31 226 A I E -BD 24 100B 21 -7,-2.4 -7,-2.8 -2,-0.5 2,-0.6 -0.880 10.4-162.4 -97.5 127.3 11.6 32.9 29.8 32 227 A V E -BD 23 99B 0 67,-3.4 67,-2.1 -2,-0.5 2,-0.4 -0.947 6.2-171.4-119.8 117.0 8.9 31.8 27.4 33 228 A R E +BD 22 98B 106 -11,-2.8 -11,-2.6 -2,-0.6 2,-0.4 -0.874 12.7 178.0-100.7 132.7 5.7 34.0 27.0 34 229 A S E -BD 21 97B 2 63,-2.4 63,-2.0 -2,-0.4 2,-0.5 -0.999 18.0-167.3-140.6 132.6 3.0 32.4 25.0 35 230 A V E -BD 20 96B 55 -15,-1.9 -15,-2.1 -2,-0.4 2,-0.6 -0.989 10.6-162.5-118.4 125.1 -0.5 33.5 24.1 36 231 A L E -BD 19 95B 1 59,-3.9 59,-2.7 -2,-0.5 2,-0.8 -0.924 10.7-149.0-106.6 119.2 -2.8 31.0 22.6 37 232 A D E +BD 18 94B 64 -19,-2.6 -20,-3.0 -2,-0.6 -19,-1.4 -0.780 37.3 176.1 -85.3 114.4 -5.9 32.2 20.7 38 233 A M E -BD 16 93B 2 55,-3.3 55,-2.5 -2,-0.8 2,-0.3 -0.678 23.3-169.4-124.3 168.6 -8.3 29.4 21.4 39 234 A D E -B 15 0B 35 -24,-2.3 -24,-2.6 53,-0.2 2,-0.4 -0.893 32.6-102.8-150.5 170.3 -11.9 28.2 20.9 40 235 A I E -B 14 0B 36 -2,-0.3 -26,-0.3 -26,-0.2 2,-0.1 -0.871 41.2-138.8 -99.7 131.0 -14.3 25.5 22.0 41 236 A S > - 0 0 18 -28,-1.3 3,-1.6 -2,-0.4 -26,-0.1 -0.408 25.0-104.3 -88.8 171.7 -14.7 22.8 19.4 42 237 A K T 3 S+ 0 0 188 1,-0.3 -29,-0.1 -2,-0.1 -1,-0.1 0.472 120.4 60.5 -71.5 -4.8 -17.9 21.1 18.4 43 238 A H T 3 S+ 0 0 90 -31,-0.3 -1,-0.3 -33,-0.0 -30,-0.2 0.507 77.3 120.3 -99.7 -7.9 -16.7 18.1 20.4 44 239 A N < - 0 0 41 -3,-1.6 -30,-0.1 -31,-0.2 -4,-0.0 -0.137 37.4-176.8 -60.3 150.6 -16.5 19.9 23.7 45 240 A V - 0 0 125 -32,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.142 65.1 -84.2-142.6 31.9 -18.7 18.6 26.6 46 241 A G S S+ 0 0 44 1,-0.2 39,-0.1 -33,-0.1 42,-0.1 0.695 78.3 162.5 72.0 22.8 -17.8 21.2 29.2 47 242 A E - 0 0 64 1,-0.1 -1,-0.2 38,-0.1 41,-0.0 -0.195 47.4 -85.2 -72.0 161.4 -14.6 19.4 30.3 48 243 A D - 0 0 63 1,-0.1 2,-0.7 36,-0.1 36,-0.2 -0.287 45.6-115.4 -51.5 142.7 -11.6 20.8 32.2 49 244 A L E -I 83 0C 0 34,-2.8 34,-3.4 -3,-0.1 2,-0.5 -0.868 39.7-170.6 -88.0 121.5 -9.1 22.5 29.9 50 245 A V E -I 82 0C 61 -2,-0.7 2,-0.4 32,-0.2 32,-0.2 -0.970 5.8-171.5-123.1 114.6 -5.9 20.3 30.2 51 246 A F E -I 81 0C 0 30,-2.4 30,-2.8 -2,-0.5 2,-0.3 -0.836 23.7-123.7-102.5 144.8 -2.6 21.3 28.7 52 247 A D E +IJ 80 134C 22 82,-3.0 82,-1.9 -2,-0.4 28,-0.2 -0.639 42.5 153.8 -74.1 138.9 0.5 19.3 28.4 53 248 A G - 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0 0 14 -2,-0.4 3,-0.1 1,-0.1 -58,-0.1 -0.439 45.4 -80.6 -65.9 155.8 29.6 -13.9 5.6 633 828 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.206 61.4 -87.5 -51.6 146.5 26.0 -12.9 6.6 634 829 A Q >> - 0 0 91 1,-0.1 4,-2.4 -3,-0.1 3,-1.4 -0.211 31.9-118.0 -60.7 151.2 25.8 -10.6 9.6 635 830 A D H 3> S+ 0 0 30 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.845 115.7 53.2 -58.6 -37.9 25.6 -12.2 13.1 636 831 A R H 34 S+ 0 0 57 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.640 108.7 50.3 -77.9 -13.4 22.2 -10.6 13.7 637 832 A Y H X4 S+ 0 0 20 -3,-1.4 3,-1.5 2,-0.1 4,-0.3 0.888 109.9 50.6 -79.8 -51.7 20.9 -12.2 10.5 638 833 A I H >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.3 4,-0.4 0.871 99.2 66.3 -50.2 -40.3 22.3 -15.7 11.4 639 834 A I G >< S+ 0 0 5 -4,-1.9 3,-0.8 1,-0.3 -1,-0.3 0.765 86.1 69.3 -63.8 -21.2 20.7 -15.6 14.8 640 835 A N G < S+ 0 0 24 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.754 104.3 45.0 -67.1 -12.5 17.2 -15.7 13.2 641 836 A F G < S+ 0 0 73 -3,-2.5 2,-0.4 -4,-0.3 -1,-0.2 0.469 102.1 67.1-115.6 1.0 18.0 -19.2 12.2 642 837 A V X - 0 0 20 -3,-0.8 3,-0.6 -4,-0.4 2,-0.2 -0.978 66.4-141.0-123.7 133.3 19.6 -20.8 15.3 643 838 A S T 3 S+ 0 0 101 -2,-0.4 3,-0.2 1,-0.2 210,-0.1 -0.600 86.0 3.3 -86.0 149.2 17.9 -21.6 18.7 644 839 A N T 3 S- 0 0 87 210,-0.2 211,-0.3 208,-0.2 210,-0.3 0.914 92.5-151.6 45.8 46.6 19.8 -21.1 22.0 645 840 A L B < -b 854 0J 3 208,-2.6 210,-2.0 -3,-0.6 2,-0.7 -0.324 8.8-147.7 -58.6 124.2 22.6 -19.7 19.9 646 841 A D > - 0 0 14 208,-0.2 4,-2.2 -3,-0.2 3,-0.3 -0.812 5.2-156.5 -91.6 114.0 26.1 -20.2 21.5 647 842 A T H > S+ 0 0 2 -2,-0.7 4,-2.4 1,-0.3 -1,-0.1 0.795 90.7 53.1 -68.9 -29.9 28.1 -17.1 20.4 648 843 A D H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.853 109.4 48.3 -69.2 -37.4 31.4 -18.9 20.9 649 844 A V H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.881 112.9 48.9 -71.3 -32.9 30.4 -21.8 18.7 650 845 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.932 108.6 53.0 -70.4 -41.2 29.2 -19.2 16.1 651 846 A A H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.923 110.9 46.9 -60.0 -40.7 32.5 -17.4 16.4 652 847 A D H X S+ 0 0 50 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.865 110.6 53.1 -68.8 -33.8 34.4 -20.7 15.7 653 848 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.934 111.1 45.2 -63.0 -52.3 32.0 -21.5 12.8 654 849 A K H X S+ 0 0 47 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.941 111.9 52.6 -57.4 -45.1 32.7 -18.2 11.1 655 850 A E H X S+ 0 0 119 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.924 110.5 47.9 -56.8 -47.2 36.4 -18.5 11.8 656 851 A Y H X S+ 0 0 40 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.926 113.9 45.9 -58.1 -43.4 36.4 -22.0 10.1 657 852 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.933 113.4 48.7 -75.2 -44.6 34.5 -20.9 7.0 658 853 A Y H X S+ 0 0 56 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.891 113.4 47.2 -58.9 -38.3 36.5 -17.7 6.5 659 854 A K H X S+ 0 0 115 -4,-2.2 4,-3.1 -5,-0.3 -2,-0.2 0.891 108.7 56.3 -72.5 -36.8 39.8 -19.7 6.8 660 855 A Q H X S+ 0 0 49 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.921 114.5 37.5 -57.4 -46.5 38.5 -22.3 4.4 661 856 A I H >X S+ 0 0 2 -4,-2.1 4,-3.1 2,-0.2 3,-0.5 0.907 115.8 52.9 -76.1 -40.0 37.8 -19.8 1.7 662 857 A G H 3X S+ 0 0 7 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.897 100.7 60.8 -58.2 -44.4 40.9 -17.7 2.5 663 858 A D H 3< S+ 0 0 105 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.781 116.7 34.5 -57.0 -30.2 43.2 -20.8 2.2 664 859 A K H << S+ 0 0 115 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.831 130.6 28.4 -86.7 -39.9 41.9 -21.0 -1.4 665 860 A L H X S+ 0 0 3 -4,-3.1 4,-2.8 1,-0.1 3,-0.3 0.413 80.8 102.6-106.4 -1.7 41.6 -17.3 -2.4 666 861 A N H X S+ 0 0 22 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.869 85.9 51.8 -58.6 -35.8 44.0 -15.2 -0.4 667 862 A D H > S+ 0 0 114 -5,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 111.4 48.7 -62.7 -40.2 46.4 -14.8 -3.3 668 863 A V H > S+ 0 0 15 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.944 111.7 48.5 -61.1 -48.0 43.5 -13.7 -5.4 669 864 A Y H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.902 112.9 48.9 -59.3 -42.3 42.5 -11.2 -2.6 670 865 A Y H X S+ 0 0 65 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.967 109.8 50.2 -63.3 -52.1 46.1 -9.9 -2.4 671 866 A K H X S+ 0 0 152 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.903 114.0 45.6 -53.0 -43.5 46.4 -9.4 -6.1 672 867 A M H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.915 106.7 57.2 -69.2 -41.4 43.1 -7.5 -6.2 673 868 A F H < S+ 0 0 3 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.913 114.1 41.9 -55.4 -38.5 44.0 -5.3 -3.2 674 869 A K H >< S+ 0 0 81 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.921 115.2 46.9 -75.7 -42.6 47.1 -4.3 -5.2 675 870 A S H 3< S+ 0 0 87 -4,-2.6 4,-0.3 1,-0.2 3,-0.3 0.759 109.2 55.6 -74.7 -24.6 45.4 -3.8 -8.6 676 871 A L T 3X S+ 0 0 29 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.626 84.5 87.4 -75.3 -19.7 42.5 -1.8 -7.2 677 872 A E H <> S+ 0 0 77 -3,-0.9 4,-2.7 -4,-0.5 -1,-0.2 0.887 81.6 54.6 -51.0 -50.8 44.8 0.8 -5.5 678 873 A A H 4 S+ 0 0 84 -4,-0.4 4,-0.3 -3,-0.3 -1,-0.2 0.933 119.6 30.4 -57.4 -47.4 45.1 3.2 -8.5 679 874 A K H >4 S+ 0 0 156 -4,-0.3 3,-0.8 1,-0.2 -1,-0.2 0.898 119.7 52.4 -77.7 -43.6 41.4 3.7 -9.1 680 875 A A H 3< S+ 0 0 0 -4,-2.7 20,-0.2 1,-0.2 -2,-0.2 0.890 118.8 35.0 -59.9 -38.9 40.2 3.2 -5.6 681 876 A D T 3< S+ 0 0 28 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.262 80.9 150.3-105.1 11.2 42.6 5.8 -4.1 682 877 A D < - 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0 0 62 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.907 6.7-174.9-120.3 102.9 32.0 9.0 -6.8 694 889 A F H > S+ 0 0 27 -2,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.790 86.0 56.1 -68.0 -32.0 30.1 6.2 -5.3 695 890 A D H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 107.8 49.1 -66.3 -43.7 31.7 3.6 -7.5 696 891 A Q H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.930 109.9 50.6 -62.7 -39.5 35.2 4.7 -6.4 697 892 A M H X S+ 0 0 16 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.832 106.2 56.4 -65.6 -35.7 34.1 4.5 -2.7 698 893 A N H X S+ 0 0 23 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.862 103.7 54.0 -59.9 -38.2 32.8 1.0 -3.4 699 894 A M H X S+ 0 0 31 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.891 108.3 49.8 -58.9 -39.5 36.4 0.1 -4.7 700 895 A R H X S+ 0 0 11 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.906 107.7 53.0 -65.9 -41.9 37.7 1.4 -1.3 701 896 A T H X S+ 0 0 59 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.953 111.3 47.3 -56.1 -47.1 35.2 -0.7 0.5 702 897 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.944 112.4 47.4 -60.3 -47.7 36.4 -3.8 -1.5 703 898 A R H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.918 115.6 47.1 -61.4 -39.3 40.1 -3.0 -0.9 704 899 A N H X S+ 0 0 18 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.845 111.9 49.3 -71.5 -33.2 39.4 -2.5 2.9 705 900 A T H X S+ 0 0 28 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.929 114.0 45.6 -65.7 -49.1 37.3 -5.7 3.1 706 901 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.886 110.1 54.9 -61.2 -42.6 40.1 -7.7 1.3 707 902 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.906 107.9 49.0 -60.3 -43.8 42.7 -6.1 3.6 708 903 A S H X S+ 0 0 32 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.920 110.9 49.8 -57.5 -46.5 40.8 -7.2 6.6 709 904 A L H X S+ 0 0 19 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.959 113.4 47.2 -58.7 -46.5 40.5 -10.8 5.3 710 905 A L H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 -1,-0.2 0.855 111.7 50.1 -66.0 -35.8 44.3 -10.8 4.6 711 906 A S H ><5S+ 0 0 0 -4,-2.3 3,-1.7 2,-0.2 -1,-0.2 0.929 109.1 49.1 -71.1 -47.3 45.2 -9.4 8.0 712 907 A K H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.894 111.8 52.3 -57.4 -36.1 43.1 -11.9 10.0 713 908 A A T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.519 106.9-131.1 -79.8 0.7 44.7 -14.6 7.8 714 909 A Q T < 5 - 0 0 103 -3,-1.7 -3,-0.2 -4,-0.1 3,-0.1 0.942 33.1-163.1 44.9 50.2 48.3 -13.2 8.7 715 910 A Y > < - 0 0 38 -5,-2.4 3,-2.3 1,-0.2 4,-0.3 -0.386 36.8 -75.0 -58.9 142.1 49.0 -13.3 5.0 716 911 A P T 3 S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.153 109.2 -13.9 -52.4 120.9 52.8 -13.1 4.4 717 912 A N T >> S+ 0 0 123 -3,-0.1 3,-1.7 1,-0.1 4,-0.6 0.581 84.8 142.2 68.8 14.6 54.1 -9.6 4.9 718 913 A I H X> + 0 0 1 -3,-2.3 4,-2.0 1,-0.3 3,-0.8 0.769 59.8 75.0 -58.4 -21.9 50.6 -8.0 4.9 719 914 A L H 3> S+ 0 0 45 1,-0.3 4,-2.8 -4,-0.3 5,-0.3 0.876 88.2 60.1 -61.1 -32.8 51.9 -5.7 7.7 720 915 A N H <> S+ 0 0 108 -3,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.908 106.6 46.1 -55.2 -41.2 53.8 -3.8 5.0 721 916 A E H < S+ 0 0 114 -4,-2.1 3,-1.7 -5,-0.3 -2,-0.2 0.952 108.7 54.2 -61.3 -41.1 51.5 1.9 3.8 725 920 A H H >< S+ 0 0 8 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.845 96.2 66.5 -58.0 -35.7 47.6 2.1 4.1 726 921 A S T 3< S+ 0 0 3 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.665 96.8 57.4 -58.6 -17.2 48.0 4.2 7.3 727 922 A K T < S+ 0 0 128 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.379 79.5 119.9-100.6 -0.1 49.6 7.0 5.2 728 923 A S < - 0 0 16 -3,-2.0 6,-0.1 -4,-0.2 -3,-0.0 -0.339 66.7-134.8 -63.8 145.9 46.6 7.3 2.8 729 924 A P S S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.732 83.9 88.8 -72.1 -21.7 44.9 10.7 2.7 730 925 A Y S >> S- 0 0 8 1,-0.1 4,-2.2 -49,-0.1 3,-1.0 -0.684 70.2-148.2 -84.1 123.3 41.4 9.0 2.9 731 926 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.778 97.9 62.5 -60.6 -28.7 40.1 8.4 6.4 732 927 A S H 3> S+ 0 0 17 -445,-0.4 4,-1.2 1,-0.2 -444,-0.1 0.903 110.0 42.6 -61.1 -39.6 38.3 5.2 5.4 733 928 A N H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.934 116.3 43.8 -70.1 -50.3 41.7 3.9 4.5 734 929 A W H X S+ 0 0 12 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.820 113.7 49.9 -76.9 -22.0 43.7 5.0 7.5 735 930 A L H X S+ 0 0 7 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.829 109.0 53.4 -73.7 -35.4 41.1 4.1 10.0 736 931 A T H X S+ 0 0 26 -4,-1.2 4,-2.4 -5,-0.3 5,-0.3 0.890 102.3 59.3 -62.1 -37.0 40.9 0.6 8.3 737 932 A S H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.916 105.3 50.5 -60.3 -37.3 44.7 0.5 8.9 738 933 A L H X S+ 0 0 0 -4,-1.3 4,-0.6 2,-0.2 -2,-0.2 0.962 112.6 43.5 -58.8 -58.1 44.0 0.9 12.6 739 934 A S H >< S+ 0 0 40 -4,-2.0 3,-1.1 1,-0.2 37,-0.4 0.912 115.7 46.4 -58.7 -44.1 41.4 -1.9 12.8 740 935 A V H >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.760 102.4 65.4 -74.2 -21.2 43.3 -4.5 10.7 741 936 A S H >< S+ 0 0 0 -4,-1.4 3,-2.9 -5,-0.3 6,-0.5 0.631 75.7 91.6 -73.8 -10.9 46.6 -3.7 12.6 742 937 A A T << S+ 0 0 7 -3,-1.1 -1,-0.2 -4,-0.6 36,-0.2 0.806 79.9 59.0 -46.6 -35.4 44.9 -5.2 15.7 743 938 A Y T < S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.2 2,-0.3 0.413 105.8 60.5 -82.6 5.7 46.4 -8.6 14.7 744 939 A F S X S- 0 0 32 -3,-2.9 3,-1.4 -25,-0.0 -33,-0.0 -0.842 88.9-111.4-130.1 169.1 49.9 -7.1 14.9 745 940 A D T 3 S+ 0 0 176 -2,-0.3 3,-0.3 1,-0.3 4,-0.3 0.592 109.5 72.7 -74.6 -11.4 52.3 -5.5 17.4 746 941 A K T 3> + 0 0 77 -5,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.497 67.1 101.1 -78.9 -1.4 52.0 -2.3 15.5 747 942 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.5 -6,-0.5 -1,-0.2 0.922 82.0 43.3 -53.6 -54.8 48.4 -1.7 16.8 748 943 A F H > S+ 0 0 77 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.855 110.9 55.8 -67.2 -31.3 49.2 0.9 19.5 749 944 A E H > S+ 0 0 103 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.953 113.1 42.5 -60.9 -43.0 51.6 2.8 17.2 750 945 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.849 108.7 59.3 -73.4 -29.8 48.7 3.1 14.7 751 946 A Y H X S+ 0 0 6 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.955 110.8 41.4 -58.4 -49.4 46.3 3.9 17.6 752 947 A D H X S+ 0 0 78 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 114.6 51.0 -65.6 -43.7 48.5 6.9 18.4 753 948 A K H X S+ 0 0 81 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.949 115.4 41.4 -61.7 -48.9 49.1 7.9 14.8 754 949 A T H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.861 110.0 57.4 -71.2 -36.2 45.4 7.9 14.0 755 950 A Y H X S+ 0 0 70 -4,-2.5 4,-2.1 -5,-0.3 3,-0.4 0.942 107.7 50.1 -53.4 -47.1 44.3 9.5 17.2 756 951 A K H < S+ 0 0 142 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.881 110.7 47.9 -62.7 -36.7 46.5 12.4 16.3 757 952 A L H < S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.777 121.8 37.0 -70.1 -25.6 45.0 12.6 12.8 758 953 A S H >< S+ 0 0 0 -4,-1.6 3,-1.6 -3,-0.4 7,-0.5 0.632 91.4 86.4 -96.7 -26.9 41.5 12.5 14.3 759 954 A K T 3< S+ 0 0 78 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.712 85.5 52.4 -66.7 -18.7 41.6 14.5 17.6 760 955 A D T 3 S+ 0 0 106 -4,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.328 98.3 68.8-102.4 9.0 41.0 18.1 16.3 761 956 A D S <> S- 0 0 8 -3,-1.6 4,-3.0 1,-0.1 5,-0.3 -0.974 73.7-147.5-126.8 114.3 37.8 17.3 14.3 762 957 A E H > S+ 0 0 36 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.822 96.9 40.5 -47.8 -41.0 34.8 16.4 16.6 763 958 A L H > S+ 0 0 11 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 113.0 51.8 -84.3 -34.3 33.3 14.0 14.1 764 959 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 106.9 55.5 -67.9 -39.5 36.5 12.3 12.9 765 960 A L H X S+ 0 0 33 -4,-3.0 4,-2.8 -7,-0.5 -1,-0.2 0.920 106.2 51.7 -58.3 -42.6 37.4 11.7 16.6 766 961 A Q H X S+ 0 0 5 -4,-1.2 4,-2.2 -5,-0.3 -1,-0.2 0.894 108.8 49.6 -59.8 -41.6 34.0 9.9 16.9 767 962 A E H X S+ 0 0 16 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.859 109.9 51.7 -61.1 -37.2 34.9 7.7 13.9 768 963 A W H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.935 108.5 51.7 -65.7 -44.1 38.2 7.0 15.5 769 964 A L H X S+ 0 0 2 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.918 109.4 49.4 -55.1 -46.3 36.4 6.0 18.7 770 965 A K H X S+ 0 0 54 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.848 109.9 51.7 -59.0 -38.8 34.2 3.6 16.7 771 966 A T H < S+ 0 0 9 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.896 113.4 43.8 -68.8 -40.5 37.2 2.1 15.0 772 967 A V H >< S+ 0 0 0 -4,-2.4 3,-1.5 2,-0.2 -2,-0.2 0.956 112.5 52.2 -65.1 -50.2 38.9 1.5 18.4 773 968 A S H 3< S+ 0 0 0 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.808 114.4 43.4 -58.2 -34.8 35.7 0.2 20.0 774 969 A R T 3< S+ 0 0 127 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.518 85.1 125.4 -89.3 -8.4 35.2 -2.3 17.1 775 970 A S < - 0 0 0 -3,-1.5 2,-2.4 -4,-0.5 -35,-0.1 -0.289 69.4-122.5 -57.5 134.5 39.0 -3.4 17.0 776 971 A D + 0 0 69 -37,-0.4 2,-0.4 3,-0.0 -1,-0.1 -0.455 57.6 152.2 -79.4 76.3 39.4 -7.2 17.3 777 972 A R > - 0 0 39 -2,-2.4 3,-1.1 1,-0.1 4,-0.1 -0.885 50.0-149.3-111.8 134.4 41.7 -6.9 20.3 778 973 A K T 3 S+ 0 0 87 -2,-0.4 3,-0.4 1,-0.2 -1,-0.1 0.842 106.8 50.4 -65.8 -31.8 42.2 -9.4 23.1 779 974 A D T 3> S+ 0 0 50 1,-0.2 4,-2.1 2,-0.1 3,-0.3 -0.035 73.8 127.9 -95.8 34.0 42.8 -6.5 25.5 780 975 A I H <> + 0 0 0 -3,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.835 68.4 55.3 -58.9 -35.6 39.6 -4.7 24.3 781 976 A Y H > S+ 0 0 37 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.900 110.1 44.8 -65.6 -37.1 38.3 -4.3 27.9 782 977 A E H > S+ 0 0 141 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.885 111.7 53.7 -73.5 -35.3 41.4 -2.5 28.9 783 978 A I H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.897 106.6 51.3 -67.0 -41.4 41.3 -0.4 25.8 784 979 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.906 108.7 51.9 -59.0 -40.3 37.7 0.7 26.5 785 980 A K H X S+ 0 0 115 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.897 108.1 51.5 -67.6 -37.0 38.8 1.8 30.0 786 981 A K H X S+ 0 0 65 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.931 110.4 48.8 -62.0 -46.1 41.6 3.8 28.4 787 982 A L H X>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 4,-2.2 0.917 110.5 51.4 -57.8 -45.2 39.0 5.5 26.1 788 983 A E H <>S+ 0 0 37 -4,-2.9 5,-2.1 4,-0.2 -1,-0.2 0.938 117.7 37.9 -56.7 -46.0 36.8 6.2 29.0 789 984 A N H <5S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.855 128.3 30.0 -77.6 -31.6 39.7 7.8 31.0 790 985 A E H <5S+ 0 0 103 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.704 133.9 8.1-106.2 -23.4 41.4 9.6 28.2 791 986 A V T <5S+ 0 0 32 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.674 126.6 38.4-127.9 -50.8 38.9 10.6 25.6 792 987 A L T > > - 0 0 10 1,-0.2 4,-2.2 -536,-0.1 3,-0.9 -0.679 57.4-148.6 -77.2 120.6 27.3 13.9 23.8 798 993 A P H 3> S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.857 96.3 59.9 -62.9 -32.3 25.3 10.9 22.5 799 994 A N H 3> S+ 0 0 6 -539,-0.3 4,-1.2 1,-0.2 5,-0.1 0.868 108.4 45.0 -59.1 -37.0 27.6 10.7 19.5 800 995 A D H <> S+ 0 0 32 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.938 115.9 45.3 -70.3 -49.1 30.6 10.1 21.9 801 996 A I H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.940 116.2 44.8 -59.6 -55.1 28.8 7.6 24.1 802 997 A R H X S+ 0 0 37 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.829 112.0 53.9 -58.2 -35.1 27.4 5.6 21.2 803 998 A A H < S+ 0 0 1 -4,-1.2 5,-0.2 -5,-0.3 -30,-0.2 0.908 111.5 45.2 -70.0 -43.1 30.8 5.7 19.4 804 999 A V H < S+ 0 0 0 -4,-2.3 4,-0.3 -5,-0.1 -2,-0.2 0.908 127.2 22.8 -65.2 -42.8 32.6 4.2 22.4 805 1000 A Y H X S+ 0 0 12 -4,-2.1 4,-1.1 -5,-0.2 -3,-0.2 0.836 107.5 63.7-107.9 -31.6 30.2 1.4 23.3 806 1001 A L H >X S+ 0 0 36 -4,-1.8 3,-0.8 -5,-0.3 4,-0.5 0.931 102.1 48.3 -62.9 -46.2 28.0 0.3 20.4 807 1002 A P H >4 S+ 0 0 9 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.952 107.9 57.6 -61.0 -41.6 30.6 -1.1 17.9 808 1003 A F H >4 S+ 0 0 0 -4,-0.3 3,-2.0 1,-0.3 7,-0.3 0.807 95.4 65.5 -49.9 -37.7 32.2 -3.0 20.8 809 1004 A T H << S+ 0 0 12 -4,-1.1 -1,-0.3 -3,-0.8 -3,-0.1 0.653 93.8 60.4 -68.5 -12.6 28.8 -4.8 21.4 810 1005 A N T << S+ 0 0 78 -3,-2.3 2,-1.3 -4,-0.5 -1,-0.3 0.399 72.7 111.8 -88.9 4.5 29.1 -6.4 18.0 811 1006 A N <>> - 0 0 18 -3,-2.0 4,-2.7 1,-0.2 5,-0.8 -0.668 55.4-163.9 -83.0 101.7 32.3 -8.1 19.1 812 1007 A L H >5S+ 0 0 16 -2,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.920 80.5 36.9 -58.3 -51.2 31.0 -11.7 19.1 813 1008 A R H 45S+ 0 0 67 1,-0.1 -1,-0.2 -3,-0.1 -165,-0.1 0.881 127.2 32.4 -62.8 -43.0 33.7 -13.3 21.2 814 1009 A R H >45S+ 0 0 70 2,-0.2 3,-1.7 1,-0.1 8,-0.2 0.861 114.4 50.2 -96.2 -41.1 34.4 -10.6 23.6 815 1010 A F H 3<5S+ 0 0 1 -4,-2.7 7,-0.3 1,-0.3 8,-0.3 0.917 115.7 48.2 -64.3 -36.8 31.1 -8.7 24.2 816 1011 A H T 3< S+ 0 0 5 -3,-2.4 4,-2.4 -5,-0.1 5,-0.1 0.515 72.6 131.1 83.9 8.1 28.9 -11.6 31.7 821 1016 A K H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.791 70.5 51.8 -66.6 -36.0 31.4 -8.7 32.1 822 1017 A G H > S+ 0 0 0 -7,-0.3 4,-2.2 -5,-0.3 -1,-0.2 0.906 111.1 46.3 -62.9 -44.1 30.4 -7.2 28.7 823 1018 A Y H > S+ 0 0 0 -8,-0.3 4,-2.4 -6,-0.3 -2,-0.2 0.874 113.1 51.4 -67.7 -38.8 26.7 -7.3 29.6 824 1019 A K H X S+ 0 0 98 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.930 108.7 50.6 -59.4 -45.7 27.6 -5.7 33.0 825 1020 A L H X S+ 0 0 25 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.913 112.5 45.6 -63.3 -46.8 29.6 -2.9 31.3 826 1021 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.919 111.2 52.3 -69.2 -38.5 26.8 -2.0 28.9 827 1022 A A H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.899 108.6 51.2 -60.9 -36.7 24.2 -2.1 31.7 828 1023 A E H X S+ 0 0 109 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.912 111.6 47.7 -64.9 -42.0 26.4 0.3 33.8 829 1024 A V H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.899 111.3 50.7 -67.6 -40.8 26.6 2.6 30.8 830 1025 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.961 112.4 46.6 -58.8 -52.8 22.8 2.5 30.2 831 1026 A T H X S+ 0 0 24 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.881 113.5 47.3 -59.7 -40.2 22.0 3.3 33.8 832 1027 A K H >< S+ 0 0 115 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.915 115.8 46.2 -66.6 -46.9 24.5 6.2 33.9 833 1028 A T H >X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 3,-1.9 0.862 102.0 64.6 -61.4 -40.7 23.1 7.5 30.6 834 1029 A D H 3< S+ 0 0 12 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.753 88.5 71.0 -60.0 -25.5 19.5 7.1 31.7 835 1030 A K T << S+ 0 0 155 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.773 120.7 10.4 -60.8 -28.9 20.1 9.8 34.4 836 1031 A F T <4 S+ 0 0 32 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.633 137.5 30.6-125.3 -21.2 20.3 12.5 31.8 837 1032 A N X + 0 0 1 -4,-3.0 4,-2.5 1,-0.1 5,-0.2 -0.694 52.8 175.8-143.6 85.2 19.2 11.1 28.5 838 1033 A P H > S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.806 82.2 59.0 -60.1 -32.7 16.6 8.3 28.6 839 1034 A M H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.957 109.9 40.5 -61.7 -52.0 16.2 8.2 24.8 840 1035 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 110.5 60.2 -65.9 -34.2 19.9 7.4 24.3 841 1036 A A H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.915 106.8 47.2 -57.4 -40.5 19.8 5.0 27.3 842 1037 A T H >< S+ 0 0 10 -4,-1.9 3,-1.1 1,-0.2 4,-0.2 0.906 108.1 54.2 -67.6 -41.3 17.2 3.0 25.5 843 1038 A Q H >< S+ 0 0 53 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.879 103.2 57.8 -57.4 -37.8 19.2 3.1 22.3 844 1039 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.666 91.5 71.6 -74.4 -12.5 22.1 1.6 24.2 845 1040 A C T X< + 0 0 0 -3,-1.1 3,-2.0 -4,-0.6 4,-0.4 0.535 67.0 105.4 -68.5 -8.3 19.9 -1.4 25.2 846 1041 A E G X + 0 0 62 -3,-1.5 3,-1.9 1,-0.3 4,-0.3 0.782 69.0 58.5 -47.9 -42.1 20.1 -2.6 21.6 847 1042 A P G > S+ 0 0 16 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.797 101.3 59.5 -57.1 -31.3 22.5 -5.6 22.3 848 1043 A F G X S+ 0 0 0 -3,-2.0 3,-2.2 1,-0.2 4,-0.2 0.575 78.4 90.1 -74.6 -10.9 20.0 -7.0 24.8 849 1044 A K G < S+ 0 0 14 -3,-1.9 3,-0.3 -4,-0.4 -1,-0.2 0.814 91.5 44.0 -61.5 -25.8 17.2 -7.3 22.1 850 1045 A L G X> S+ 0 0 18 -3,-0.8 3,-2.6 -4,-0.3 4,-0.5 0.245 76.8 119.7-100.3 18.0 18.3 -10.8 21.3 851 1046 A W G X4 S+ 0 0 21 -3,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.821 73.6 51.6 -53.7 -38.1 18.7 -12.0 24.9 852 1047 A N G 34 S+ 0 0 54 -3,-0.3 -1,-0.3 1,-0.2 -208,-0.2 0.401 102.7 61.8 -87.3 5.5 16.2 -14.7 24.6 853 1048 A K G <4 S+ 0 0 30 -3,-2.6 -208,-2.6 -210,-0.1 -1,-0.2 0.490 88.4 87.4-100.6 -9.8 17.8 -16.2 21.5 854 1049 A L B << S-b 645 0J 1 -3,-1.0 -210,-0.2 -4,-0.5 -208,-0.2 -0.301 93.1 -71.2 -84.9 170.7 21.2 -17.0 23.0 855 1050 A D > - 0 0 22 -210,-2.0 4,-2.6 -211,-0.3 3,-0.4 -0.160 56.7-100.2 -51.7 150.7 22.3 -20.2 24.9 856 1051 A T H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.832 120.2 53.3 -56.6 -32.2 20.8 -20.6 28.3 857 1052 A K H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 113.1 43.1 -63.9 -45.6 23.8 -19.3 30.3 858 1053 A R H > S+ 0 0 4 -3,-0.4 4,-2.3 1,-0.2 5,-0.3 0.875 109.4 57.0 -74.9 -33.7 23.9 -16.1 28.3 859 1054 A Q H X S+ 0 0 40 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.947 110.3 47.2 -54.6 -45.0 20.1 -15.6 28.4 860 1055 A E H X S+ 0 0 104 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.914 110.7 49.4 -64.8 -44.7 20.5 -15.8 32.2 861 1056 A L H X S+ 0 0 23 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.917 114.6 44.9 -60.5 -43.4 23.4 -13.3 32.4 862 1057 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.919 112.5 50.7 -68.8 -48.6 21.6 -10.8 30.2 863 1058 A L H X S+ 0 0 49 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.886 107.0 56.0 -53.4 -40.3 18.3 -11.1 32.0 864 1059 A N H X S+ 0 0 80 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.921 110.1 45.2 -61.5 -40.0 20.2 -10.6 35.3 865 1060 A E H X S+ 0 0 35 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.887 112.7 49.5 -69.9 -44.4 21.6 -7.3 34.0 866 1061 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.891 111.6 49.8 -59.1 -42.6 18.2 -6.1 32.7 867 1062 A N H X S+ 0 0 55 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.918 109.1 52.1 -65.4 -41.0 16.6 -7.0 36.0 868 1063 A T H >< S+ 0 0 70 -4,-2.3 3,-0.6 -5,-0.2 4,-0.5 0.950 110.8 47.4 -55.7 -49.8 19.4 -5.0 37.8 869 1064 A M H >< S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.897 109.0 54.5 -57.0 -42.0 18.7 -2.0 35.6 870 1065 A L H 3< S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.791 103.4 57.5 -62.9 -26.6 14.9 -2.4 36.2 871 1066 A Q T << S+ 0 0 141 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.543 75.8 118.9 -82.5 -6.9 15.6 -2.3 40.0 872 1067 A E X - 0 0 74 -3,-1.4 3,-1.7 -4,-0.5 -3,-0.0 -0.409 62.0-144.2 -63.2 124.5 17.3 1.2 39.8 873 1068 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.869 98.2 49.7 -63.7 -27.7 15.2 3.5 42.0 874 1069 A Q T 3 S+ 0 0 161 2,-0.0 -2,-0.1 -3,-0.0 -3,-0.0 0.300 78.5 145.1 -94.6 14.6 15.9 6.4 39.6 875 1070 A I < - 0 0 26 -3,-1.7 -44,-0.0 -6,-0.1 -40,-0.0 -0.190 50.5-117.9 -55.3 133.1 15.0 4.6 36.3 876 1071 A S > - 0 0 20 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.275 18.2-119.5 -63.2 156.7 13.3 6.8 33.7 877 1072 A N H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.921 115.2 55.6 -63.5 -40.1 9.8 5.9 32.5 878 1073 A N H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.922 110.9 40.3 -53.2 -54.6 11.2 5.5 29.1 879 1074 A L H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.938 114.8 53.1 -66.2 -42.7 13.8 3.0 30.1 880 1075 A K H X S+ 0 0 101 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.922 108.9 47.6 -59.4 -47.1 11.5 1.1 32.4 881 1076 A E H X S+ 0 0 22 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.889 113.5 49.2 -62.8 -42.2 8.8 0.6 29.9 882 1077 A Y H X S+ 0 0 23 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.955 113.2 44.7 -62.1 -48.3 11.3 -0.6 27.3 883 1078 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.832 111.6 54.2 -68.8 -31.9 13.0 -3.1 29.6 884 1079 A L H <>S+ 0 0 67 -4,-2.3 5,-2.7 -5,-0.3 -1,-0.2 0.871 112.8 42.9 -65.3 -40.5 9.6 -4.4 30.9 885 1080 A R H ><5S+ 0 0 86 -4,-1.8 3,-1.0 -5,-0.2 -2,-0.2 0.907 114.5 51.3 -73.9 -40.9 8.4 -5.1 27.4 886 1081 A L H 3<5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.862 113.2 43.1 -65.3 -34.2 11.8 -6.6 26.4 887 1082 A T T 3<5S- 0 0 15 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.336 110.7-119.2 -99.1 10.4 11.9 -9.0 29.4 888 1083 A N T < 5 0 0 102 -3,-1.0 -3,-0.2 -4,-0.1 -4,-0.1 0.927 360.0 360.0 55.5 51.5 8.3 -10.0 29.0 889 1084 A K < 0 0 109 -5,-2.7 -4,-0.1 -6,-0.1 -5,-0.1 0.837 360.0 360.0-100.8 360.0 7.2 -8.8 32.5