==== 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 25-JUL-03 1Q2L . COMPND 2 MOLECULE: PROTEASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI STR. K12 SUBSTR.; . AUTHOR K.MASKOS,D.JOZIC,C.FERNANDEZ-CATALAN . 937 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 14.3 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 60 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 3 2 0 3 1 0 4 4 3 1 2 3 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 2 1 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 1 2 0 4 2 4 3 2 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 . 1 0 0 0 2 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 24 A E 0 0 229 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.5 54.2 2.7 10.3 2 25 A T - 0 0 85 224,-0.0 3,-0.1 221,-0.0 224,-0.1 0.653 360.0-159.6-113.5 -86.1 53.7 5.8 12.5 3 26 A G + 0 0 20 1,-0.1 24,-1.8 22,-0.1 2,-0.3 0.399 66.5 57.8 112.3 1.2 56.1 6.2 15.5 4 27 A W E -A 26 0A 42 22,-0.3 22,-0.2 23,-0.1 -1,-0.1 -0.979 61.8-142.1-162.6 147.1 54.0 8.6 17.5 5 28 A Q E -A 25 0A 111 20,-2.2 20,-2.5 -2,-0.3 -3,-0.0 -0.942 34.3-117.2-112.0 129.0 50.6 9.1 19.2 6 29 A P E -A 24 0A 82 0, 0.0 18,-0.2 0, 0.0 16,-0.0 -0.235 26.2-178.0 -63.8 152.5 48.9 12.6 19.1 7 30 A I + 0 0 38 16,-1.6 2,-1.0 1,-0.1 17,-0.2 0.690 14.2 163.3-115.9 -45.3 48.2 14.5 22.2 8 31 A Q + 0 0 100 15,-1.3 15,-0.3 1,-0.2 -1,-0.1 -0.451 7.4 157.7 61.1 -99.1 46.5 17.7 20.9 9 32 A E S S- 0 0 112 -2,-1.0 3,-0.2 1,-0.1 -1,-0.2 0.490 72.9 -94.5 59.1 -1.2 45.0 18.9 24.2 10 33 A T - 0 0 98 1,-0.2 2,-1.1 13,-0.1 -1,-0.1 0.918 33.7-119.4 57.6 102.2 45.0 22.2 22.3 11 34 A I - 0 0 8 10,-0.4 -1,-0.2 1,-0.1 392,-0.2 -0.600 34.5-121.5 -72.5 103.4 48.1 24.2 23.1 12 35 A R + 0 0 102 390,-1.7 393,-0.3 -2,-1.1 2,-0.2 -0.249 46.7 166.5 -50.4 112.4 46.5 27.3 24.5 13 36 A K - 0 0 77 -2,-0.1 4,-0.1 1,-0.1 365,-0.1 -0.757 38.5 -84.0-124.1 172.8 47.7 30.2 22.4 14 37 A S > - 0 0 12 -2,-0.2 3,-0.6 363,-0.2 4,-0.4 -0.310 39.5-109.3 -75.1 161.9 46.6 33.9 22.0 15 38 A D T 3 S+ 0 0 134 1,-0.3 2,-1.1 2,-0.1 3,-0.3 0.936 115.8 43.1 -54.9 -52.6 43.7 34.9 19.7 16 39 A K T 3 S+ 0 0 113 362,-0.2 -1,-0.3 1,-0.2 -2,-0.1 -0.604 86.9 97.1 -98.7 72.6 46.0 36.6 17.2 17 40 A D < + 0 0 31 -2,-1.1 -1,-0.2 -3,-0.6 -2,-0.1 0.673 45.6 179.8-118.5 -55.5 48.8 34.0 16.9 18 41 A N + 0 0 121 -4,-0.4 2,-0.1 -3,-0.3 -2,-0.0 0.189 36.8 125.5 70.4 -17.7 48.0 31.9 13.8 19 42 A R - 0 0 30 18,-0.1 2,-0.4 -2,-0.1 18,-0.2 -0.486 65.6-117.5 -70.5 145.0 51.0 29.6 14.1 20 43 A Q E - B 0 36A 105 16,-2.8 16,-3.0 -2,-0.1 2,-0.4 -0.712 33.9-171.3 -86.9 134.7 50.0 25.9 14.2 21 44 A Y E + B 0 35A 21 -2,-0.4 -10,-0.4 14,-0.2 2,-0.3 -0.988 13.5 161.4-130.7 136.7 50.8 24.0 17.4 22 45 A Q E - B 0 34A 16 12,-2.3 12,-2.9 -2,-0.4 2,-0.4 -0.950 22.0-151.3-153.6 129.6 50.6 20.3 18.2 23 46 A A E - B 0 33A 0 -15,-0.3 -16,-1.6 -2,-0.3 -15,-1.3 -0.856 19.6-174.0-101.9 136.3 52.3 18.3 21.0 24 47 A I E -AB 6 32A 0 8,-2.3 8,-2.7 -2,-0.4 2,-0.7 -0.943 23.3-134.4-130.6 152.5 52.9 14.6 20.3 25 48 A R E -AB 5 31A 93 -20,-2.5 -20,-2.2 -2,-0.3 6,-0.2 -0.910 24.9-145.1-109.3 105.6 54.2 11.7 22.4 26 49 A L E > -A 4 0A 1 4,-2.4 3,-2.4 -2,-0.7 -22,-0.3 -0.166 31.7-100.7 -60.9 161.5 56.8 9.7 20.5 27 50 A D T 3 S+ 0 0 122 -24,-1.8 -1,-0.1 1,-0.3 -23,-0.1 0.790 123.4 60.3 -57.7 -28.4 56.9 5.9 21.1 28 51 A N T 3 S- 0 0 13 -25,-0.2 -1,-0.3 2,-0.1 208,-0.2 0.463 122.4-105.9 -79.9 1.9 59.8 6.4 23.4 29 52 A G S < S+ 0 0 13 -3,-2.4 2,-0.5 1,-0.3 -2,-0.1 0.509 73.0 142.4 89.3 4.8 57.7 8.6 25.6 30 53 A M - 0 0 0 202,-0.1 -4,-2.4 199,-0.1 2,-0.6 -0.692 45.0-141.1 -83.8 125.3 59.3 11.9 24.7 31 54 A V E -Bc 25 209A 5 177,-1.1 179,-1.6 -2,-0.5 2,-0.4 -0.763 21.9-169.3 -87.9 123.0 56.8 14.7 24.4 32 55 A V E -Bc 24 210A 0 -8,-2.7 -8,-2.3 -2,-0.6 2,-0.7 -0.933 16.6-140.9-116.4 137.4 57.7 17.0 21.5 33 56 A L E -Bc 23 211A 0 177,-3.0 179,-2.1 -2,-0.4 2,-0.6 -0.862 16.1-160.3-100.1 112.8 56.2 20.4 20.7 34 57 A L E -Bc 22 212A 0 -12,-2.9 -12,-2.3 -2,-0.7 2,-0.6 -0.821 7.8-174.0 -95.1 123.5 55.6 20.9 17.0 35 58 A V E -Bc 21 213A 0 177,-2.4 179,-2.0 -2,-0.6 2,-0.7 -0.956 5.0-165.1-120.9 111.6 55.3 24.5 16.0 36 59 A S E +Bc 20 214A 6 -16,-3.0 -16,-2.8 -2,-0.6 179,-0.2 -0.867 15.5 166.8-101.4 111.7 54.4 25.1 12.3 37 60 A D > - 0 0 13 177,-2.7 3,-3.2 -2,-0.7 -18,-0.1 -0.826 18.3-167.4-125.7 89.8 54.9 28.6 11.2 38 61 A P T 3 S+ 0 0 91 0, 0.0 177,-0.1 0, 0.0 -1,-0.1 0.780 91.6 54.4 -45.5 -30.7 54.8 28.9 7.4 39 62 A Q T 3 S+ 0 0 163 175,-0.1 2,-0.1 -3,-0.1 176,-0.1 0.208 78.2 139.3 -92.0 15.0 56.2 32.4 7.8 40 63 A A < - 0 0 8 -3,-3.2 3,-0.1 1,-0.2 175,-0.1 -0.389 41.9-158.5 -63.8 132.1 59.2 31.2 9.8 41 64 A V S S+ 0 0 109 1,-0.3 71,-0.4 343,-0.1 2,-0.3 0.906 79.4 4.1 -75.9 -44.8 62.4 33.0 8.8 42 65 A K S S- 0 0 73 342,-0.2 -1,-0.3 69,-0.1 2,-0.3 -0.960 78.9-117.7-138.5 154.1 64.6 30.3 10.2 43 66 A S E -D 110 0A 0 67,-2.4 67,-2.6 -2,-0.3 2,-0.3 -0.673 29.3-166.3 -94.9 150.7 63.9 26.9 11.8 44 67 A L E -DE 109 213A 0 169,-2.3 169,-3.3 -2,-0.3 2,-0.3 -0.899 8.3-174.8-133.3 161.6 64.8 26.1 15.4 45 68 A S E +DE 108 212A 0 63,-1.8 63,-2.9 -2,-0.3 2,-0.3 -0.988 2.5 178.3-155.8 149.5 65.0 23.1 17.7 46 69 A A E -DE 107 211A 0 165,-1.7 165,-2.6 -2,-0.3 2,-0.4 -0.993 10.2-164.3-152.5 152.8 65.7 22.3 21.3 47 70 A L E -DE 106 210A 0 59,-2.6 59,-2.5 -2,-0.3 2,-0.4 -0.995 11.1-166.9-140.5 128.9 65.9 19.3 23.6 48 71 A V E -DE 105 209A 0 161,-3.4 161,-2.0 -2,-0.4 57,-0.2 -0.963 10.5-159.6-123.7 140.2 65.8 19.4 27.4 49 72 A V E -D 104 0A 0 55,-2.9 55,-2.3 -2,-0.4 2,-1.7 -0.970 24.3-132.7-112.8 123.9 66.6 16.7 30.0 50 73 A P S S+ 0 0 9 0, 0.0 2,-0.4 0, 0.0 53,-0.1 0.005 80.3 90.6 -69.2 35.8 65.1 17.5 33.4 51 74 A V + 0 0 2 -2,-1.7 -2,-0.2 53,-0.2 51,-0.2 -0.998 49.4 160.2-132.2 136.3 68.4 16.7 35.1 52 75 A G > - 0 0 1 49,-0.7 3,-1.9 -2,-0.4 50,-0.1 -0.548 58.8 -53.5-134.2-159.1 71.2 19.2 35.9 53 76 A S G > S+ 0 0 7 47,-1.5 3,-2.5 50,-0.3 9,-0.2 0.743 116.0 78.6 -57.0 -26.6 74.2 19.8 38.1 54 77 A L G 3 S+ 0 0 11 47,-1.8 -1,-0.3 1,-0.3 48,-0.1 0.809 93.6 50.7 -53.0 -31.6 72.2 19.0 41.2 55 78 A E G < S+ 0 0 49 -3,-1.9 -1,-0.3 46,-0.3 -2,-0.2 0.358 82.2 129.7 -90.8 7.4 72.5 15.3 40.4 56 79 A D < - 0 0 4 -3,-2.5 5,-0.1 -4,-0.1 2,-0.1 -0.280 67.6-108.4 -60.3 142.3 76.3 15.5 39.9 57 80 A P > - 0 0 53 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.443 27.9-118.5 -68.7 149.1 78.3 12.8 41.9 58 81 A E G > S+ 0 0 137 1,-0.3 3,-0.6 2,-0.1 -2,-0.1 0.879 115.5 55.0 -56.1 -37.7 80.2 14.4 44.8 59 82 A A G 3 S+ 0 0 42 1,-0.3 -1,-0.3 124,-0.0 2,-0.0 0.642 115.5 38.9 -71.8 -14.7 83.5 13.3 43.2 60 83 A Y G X S+ 0 0 1 -3,-1.5 3,-2.1 123,-0.0 2,-0.4 -0.458 70.7 179.4-136.0 65.7 82.6 15.1 39.9 61 84 A Q T < S+ 0 0 32 -3,-0.6 118,-0.4 1,-0.3 115,-0.1 -0.547 79.6 34.4 -68.2 118.1 80.9 18.4 40.6 62 85 A G T 3> S+ 0 0 0 -2,-0.4 4,-2.7 -9,-0.2 -1,-0.3 0.321 79.5 124.9 114.6 -1.1 80.2 19.8 37.1 63 86 A L H <> + 0 0 0 -3,-2.1 4,-3.2 -6,-0.2 5,-0.3 0.893 69.4 54.9 -56.9 -45.8 79.6 16.4 35.5 64 87 A A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.924 113.8 43.2 -55.4 -42.8 76.2 17.3 34.1 65 88 A H H > S+ 0 0 14 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.900 111.3 54.4 -68.5 -41.0 77.8 20.3 32.4 66 89 A Y H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 3,-0.3 0.916 109.4 48.3 -58.5 -44.8 80.8 18.1 31.3 67 90 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.821 101.7 62.6 -65.6 -33.6 78.4 15.7 29.7 68 91 A E H < S+ 0 0 10 -4,-1.5 4,-0.3 -5,-0.3 -1,-0.2 0.895 113.5 37.6 -58.1 -37.6 76.6 18.5 27.9 69 92 A H H >< S+ 0 0 16 -4,-1.4 3,-1.9 -3,-0.3 -2,-0.2 0.959 115.4 50.1 -77.5 -54.6 79.9 19.1 26.2 70 93 A M H >< S+ 0 0 3 -4,-2.8 3,-1.8 1,-0.3 61,-0.4 0.752 97.1 70.7 -57.8 -27.7 81.1 15.5 25.7 71 94 A S T 3< S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.760 98.6 51.3 -60.7 -25.0 77.7 14.5 24.2 72 95 A L T < S+ 0 0 27 -3,-1.9 10,-2.2 -4,-0.3 11,-0.4 0.369 84.5 87.7 -93.3 0.9 78.7 16.6 21.2 73 96 A M S < S- 0 0 17 -3,-1.8 8,-0.2 1,-0.3 -1,-0.2 0.202 108.7 -47.0 -87.3 17.8 82.2 15.0 20.6 74 97 A G - 0 0 5 -3,-0.4 56,-3.0 6,-0.1 57,-0.6 -0.206 54.4-157.9 126.9 141.2 80.8 12.3 18.4 75 98 A S B -G 129 0B 4 3,-2.0 50,-0.1 54,-0.3 3,-0.1 -0.892 40.2 -89.6-141.1 170.0 78.0 9.7 18.3 76 99 A K S S+ 0 0 126 52,-2.0 -1,-0.1 48,-0.3 49,-0.1 0.900 125.4 37.0 -48.5 -54.2 77.2 6.4 16.6 77 100 A K S S+ 0 0 96 1,-0.3 -1,-0.2 47,-0.1 44,-0.1 0.788 132.4 29.6 -73.2 -27.8 75.6 7.9 13.5 78 101 A Y S S+ 0 0 46 1,-0.1 -3,-2.0 43,-0.1 -1,-0.3 -0.676 70.8 177.6-134.8 79.2 78.0 10.8 13.4 79 102 A P + 0 0 83 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.652 52.1 94.0 -55.1 -25.1 81.4 9.6 14.9 80 103 A Q S > S- 0 0 163 -6,-0.1 3,-0.9 1,-0.1 -5,-0.2 -0.474 81.7-110.8 -77.3 146.9 83.3 12.9 14.3 81 104 A A T 3 S+ 0 0 13 1,-0.2 -8,-0.2 -8,-0.2 -1,-0.1 -0.406 97.4 18.4 -73.2 150.9 83.4 15.5 17.0 82 105 A D T 3> S+ 0 0 46 -10,-2.2 4,-2.8 -2,-0.1 5,-0.3 0.716 78.0 146.8 62.8 22.3 81.6 18.8 16.6 83 106 A S H <> + 0 0 23 -3,-0.9 4,-2.1 -11,-0.4 5,-0.2 0.913 69.8 46.5 -55.6 -46.6 79.4 17.2 13.9 84 107 A L H > S+ 0 0 14 -12,-0.2 4,-2.8 1,-0.2 5,-0.2 0.935 114.9 46.3 -62.7 -46.1 76.3 19.3 14.8 85 108 A A H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.872 111.8 50.5 -65.2 -40.1 78.3 22.6 15.0 86 109 A E H X S+ 0 0 103 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.902 113.9 46.8 -64.6 -40.3 80.1 22.0 11.7 87 110 A Y H >< S+ 0 0 35 -4,-2.1 3,-0.7 -5,-0.3 4,-0.4 0.963 112.3 47.1 -65.2 -55.2 76.8 21.2 10.0 88 111 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.3 3,-0.9 0.833 108.5 58.3 -56.2 -34.9 74.9 24.2 11.4 89 112 A K H ><5S+ 0 0 147 -4,-1.8 3,-0.6 1,-0.2 -1,-0.3 0.854 106.2 47.6 -64.6 -35.9 77.9 26.4 10.4 90 113 A M T <<5S+ 0 0 147 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.421 112.4 50.4 -87.5 1.2 77.6 25.4 6.8 91 114 A H T < 5S- 0 0 50 -3,-0.9 20,-1.8 -4,-0.4 -1,-0.2 -0.238 120.7 -94.9-132.1 45.0 73.9 26.0 6.7 92 115 A G T < 5S+ 0 0 35 -3,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.889 90.2 101.7 43.5 56.3 73.6 29.5 8.1 93 116 A G < - 0 0 17 -5,-2.1 2,-0.3 17,-0.2 17,-0.2 -0.847 46.3-163.8-149.6-174.3 72.9 28.4 11.7 94 117 A S E -F 109 0A 49 15,-2.0 15,-2.1 -2,-0.3 2,-0.3 -0.971 5.5-151.0-166.2 173.7 74.3 27.8 15.2 95 118 A H E -F 108 0A 59 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.912 6.9-175.4-147.8 174.0 73.7 26.1 18.5 96 119 A N E -F 107 0A 86 11,-2.2 11,-2.4 -2,-0.3 2,-0.3 -0.946 10.9-148.5-163.6 168.1 74.3 26.4 22.2 97 120 A A E -F 106 0A 14 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.971 6.5-163.3-145.1 156.9 73.7 24.4 25.3 98 121 A S E -F 105 0A 35 7,-2.4 7,-3.1 -2,-0.3 2,-0.6 -0.984 7.2-159.7-148.7 132.7 73.1 25.2 28.9 99 122 A T E +F 104 0A 32 -2,-0.3 5,-0.2 5,-0.2 -47,-0.1 -0.958 17.2 177.2-116.1 119.5 73.2 23.2 32.1 100 123 A A - 0 0 15 3,-3.5 -47,-1.5 -2,-0.6 3,-0.3 -0.559 48.4 -95.5-108.0 175.3 71.3 24.6 35.1 101 124 A P S S+ 0 0 32 0, 0.0 -47,-1.8 0, 0.0 -49,-0.7 0.884 124.8 32.1 -61.2 -33.6 71.0 22.9 38.5 102 125 A Y S S+ 0 0 53 -51,-0.2 2,-0.3 219,-0.2 -50,-0.1 0.464 124.9 15.6-105.3 -3.2 67.7 21.3 37.5 103 126 A R - 0 0 14 -3,-0.3 -3,-3.5 -52,-0.2 2,-0.4 -0.994 52.9-136.8-164.6 164.6 68.1 20.7 33.7 104 127 A T E -DF 49 99A 0 -55,-2.3 -55,-2.9 -2,-0.3 2,-0.4 -0.998 27.5-169.6-127.6 127.7 70.3 20.4 30.7 105 128 A A E -DF 48 98A 0 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.4 -0.940 13.6-169.7-126.3 144.6 69.3 21.9 27.4 106 129 A F E +DF 47 97A 5 -59,-2.5 -59,-2.6 -2,-0.4 2,-0.3 -0.985 19.1 169.5-126.4 137.5 70.5 21.8 23.9 107 130 A Y E +DF 46 96A 19 -11,-2.4 -11,-2.2 -2,-0.4 2,-0.3 -0.998 8.2 174.5-151.4 154.8 69.2 24.2 21.2 108 131 A L E -DF 45 95A 0 -63,-2.9 -63,-1.8 -2,-0.3 2,-0.3 -0.908 17.1-150.6-149.4 174.8 69.9 25.3 17.7 109 132 A E E +DF 44 94A 41 -15,-2.1 -15,-2.0 -2,-0.3 2,-0.3 -0.972 27.4 154.8-149.2 142.9 68.7 27.4 14.7 110 133 A V E -D 43 0A 0 -67,-2.6 -67,-2.4 -2,-0.3 -17,-0.2 -0.981 49.3 -57.4-163.3 168.5 69.3 26.8 11.0 111 134 A E >> - 0 0 89 -20,-1.8 3,-1.1 -2,-0.3 4,-0.6 -0.233 56.3-114.0 -52.5 141.2 68.0 27.4 7.5 112 135 A N G >4 S+ 0 0 25 -71,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.844 113.8 42.0 -47.4 -44.6 64.5 26.1 7.1 113 136 A D G 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.660 109.0 56.9 -82.6 -15.6 65.4 23.3 4.6 114 137 A A G <> S+ 0 0 8 -3,-1.1 4,-1.1 1,-0.2 3,-0.4 0.401 80.0 100.6 -92.6 3.0 68.6 22.2 6.4 115 138 A L H S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.914 107.3 44.6 -61.3 -43.6 66.2 17.7 9.2 117 140 A G H > S+ 0 0 14 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.756 112.9 53.2 -71.7 -25.2 70.0 17.1 9.3 118 141 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.943 111.5 44.1 -73.0 -49.2 70.3 19.5 12.2 119 142 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.872 111.7 54.3 -63.0 -38.6 67.7 17.7 14.2 120 143 A D H X S+ 0 0 17 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.888 109.8 46.5 -64.5 -39.4 69.1 14.3 13.3 121 144 A R H X S+ 0 0 54 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.852 114.0 48.3 -72.1 -33.1 72.6 15.2 14.5 122 145 A L H X S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 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0.629 82.5 94.9 -83.9 -13.4 83.8 37.8 37.4 153 176 A R S <> S- 0 0 142 -3,-1.9 4,-2.4 1,-0.1 3,-0.4 -0.550 77.5-131.0 -80.7 142.6 80.0 38.4 37.1 154 177 A D H > S+ 0 0 15 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.818 105.3 63.0 -61.2 -30.3 78.1 39.1 40.3 155 178 A G H > S+ 0 0 48 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.918 109.7 37.6 -60.8 -45.0 75.5 36.5 39.3 156 179 A M H > S+ 0 0 58 -3,-0.4 4,-1.9 -6,-0.4 5,-0.2 0.910 115.2 54.2 -72.8 -44.3 78.0 33.7 39.4 157 180 A R H X S+ 0 0 30 -4,-2.4 4,-2.0 -7,-0.2 3,-0.2 0.942 112.7 43.5 -55.2 -48.9 79.8 35.1 42.5 158 181 A M H X S+ 0 0 28 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.818 107.5 59.7 -68.3 -32.0 76.5 35.2 44.4 159 182 A A H X S+ 0 0 60 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.882 108.5 45.3 -64.1 -36.4 75.4 31.8 43.2 160 183 A Q H X S+ 0 0 17 -4,-1.9 4,-1.8 -3,-0.2 -2,-0.2 0.925 110.5 50.9 -74.2 -43.0 78.5 30.3 44.8 161 184 A V H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.903 109.8 53.3 -60.8 -35.9 78.2 32.2 48.1 162 185 A S H >< S+ 0 0 24 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.935 105.8 53.3 -60.9 -45.3 74.6 30.9 48.1 163 186 A A H 3< S+ 0 0 9 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.829 111.9 44.8 -59.3 -34.5 75.9 27.3 47.7 164 187 A E H 3< S+ 0 0 63 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.494 113.6 49.0 -90.0 -3.9 78.2 27.7 50.7 165 188 A T S << S+ 0 0 10 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.268 97.3 83.1-118.4 11.6 75.7 29.4 53.0 166 189 A I S S- 0 0 7 -4,-0.4 81,-0.2 -3,-0.4 80,-0.1 -0.346 102.8 -55.0-102.1-178.3 72.8 26.9 52.4 167 190 A N > - 0 0 17 79,-3.2 3,-2.3 1,-0.2 6,-0.2 -0.489 47.0-145.4 -64.1 118.5 72.2 23.5 54.1 168 191 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.731 97.3 60.8 -57.7 -23.0 75.4 21.5 53.5 169 192 A A T 3 S+ 0 0 71 76,-0.1 75,-0.1 3,-0.1 -2,-0.1 0.530 88.8 89.8 -81.7 -7.2 73.3 18.3 53.3 170 193 A H S X S- 0 0 1 -3,-2.3 3,-2.1 76,-0.2 4,-0.2 -0.734 84.5-125.6 -93.1 139.1 71.5 19.7 50.2 171 194 A P G > S+ 0 0 24 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.680 103.4 77.9 -56.4 -17.1 72.9 19.2 46.7 172 195 A G G 3 S+ 0 0 17 1,-0.3 4,-0.1 150,-0.1 -6,-0.1 0.511 78.9 71.6 -71.5 -2.3 72.8 22.9 46.1 173 196 A S G < S+ 0 0 39 -3,-2.1 -1,-0.3 -6,-0.2 -10,-0.0 0.652 81.3 98.0 -85.5 -15.0 76.0 23.1 48.2 174 197 A K S < S- 0 0 30 -3,-1.6 2,-0.7 -4,-0.2 -116,-0.0 -0.268 85.8-104.8 -72.2 159.5 77.9 21.5 45.4 175 198 A F - 0 0 11 -122,-0.0 2,-0.2 -12,-0.0 -1,-0.1 -0.760 37.6-161.9 -85.8 116.0 79.9 23.4 42.8 176 199 A S + 0 0 56 -2,-0.7 2,-0.8 1,-0.1 -115,-0.1 -0.570 68.7 40.4 -92.9 162.9 78.0 23.5 39.5 177 200 A G S S- 0 0 12 -2,-0.2 -1,-0.1 -77,-0.1 -30,-0.1 -0.342 94.4-135.7 98.9 -57.3 79.8 24.3 36.3 178 201 A G - 0 0 0 -2,-0.8 2,-0.2 -113,-0.1 -31,-0.2 0.122 21.0-159.4 83.0 158.6 82.9 22.3 37.0 179 202 A N > - 0 0 6 -118,-0.4 4,-2.5 -32,-0.1 5,-0.3 -0.881 43.9 -66.5-156.5-173.0 86.6 23.2 36.5 180 203 A L H > S+ 0 0 68 -2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.923 128.3 47.3 -51.2 -49.7 90.1 21.7 36.2 181 204 A E H 4 S+ 0 0 131 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.964 117.1 37.5 -58.6 -59.5 90.1 20.4 39.8 182 205 A T H 4 S+ 0 0 14 1,-0.2 -1,-0.2 -121,-0.1 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-1,-0.2 0.933 106.9 42.4 -57.8 -46.9 84.8 8.6 31.3 193 216 A Q H > S+ 0 0 88 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.840 110.7 56.6 -70.0 -31.1 82.8 5.9 33.1 194 217 A A H X S+ 0 0 10 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.921 107.4 49.6 -64.3 -42.0 81.2 8.5 35.3 195 218 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.946 112.6 46.6 -59.8 -49.4 80.0 10.3 32.2 196 219 A K H X S+ 0 0 67 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.897 112.8 49.3 -61.1 -42.9 78.6 7.1 30.8 197 220 A D H X S+ 0 0 91 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.906 111.5 48.6 -64.9 -42.0 76.9 6.2 34.1 198 221 A F H X S+ 0 0 8 -4,-2.6 4,-3.0 1,-0.2 5,-0.5 0.953 113.4 47.9 -61.8 -48.6 75.3 9.6 34.4 199 222 A H H X S+ 0 0 16 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.898 113.3 46.8 -57.9 -45.5 74.0 9.4 30.8 200 223 A E H < S+ 0 0 117 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.883 116.2 46.6 -65.0 -38.9 72.6 5.9 31.3 201 224 A K H < S+ 0 0 123 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 129.6 15.0 -71.5 -43.2 71.0 6.9 34.5 202 225 A Y H < S+ 0 0 19 -4,-3.0 2,-2.1 -5,-0.2 -3,-0.2 0.720 98.3 84.1-111.4 -24.8 69.4 10.2 33.4 203 226 A Y < + 0 0 1 -4,-1.9 2,-0.5 -5,-0.5 -1,-0.1 -0.440 58.6 146.4 -83.6 71.3 69.2 10.7 29.6 204 227 A S >> - 0 0 0 -2,-2.1 3,-1.9 -3,-0.1 4,-0.8 -0.908 51.5-134.4-108.3 130.5 66.0 8.7 29.2 205 228 A A T 34 S+ 0 0 0 28,-2.5 3,-0.3 -2,-0.5 -174,-0.2 0.742 99.4 66.9 -54.5 -30.0 63.6 9.7 26.4 206 229 A N T 34 S+ 0 0 39 1,-0.2 -1,-0.3 -176,-0.1 -175,-0.1 0.720 105.7 43.0 -67.0 -20.3 60.5 9.5 28.7 207 230 A L T <4 S+ 0 0 20 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.620 97.9 96.8 -98.6 -16.8 61.7 12.4 30.7 208 231 A M < - 0 0 0 -4,-0.8 -177,-1.1 -3,-0.3 2,-0.4 -0.296 52.8-159.8 -77.9 157.3 62.8 14.6 27.8 209 232 A K E -cE 31 48A 42 -161,-2.0 -161,-3.4 -179,-0.2 2,-0.3 -0.992 13.4-178.8-133.6 140.1 61.0 17.4 26.1 210 233 A A E -cE 32 47A 0 -179,-1.6 -177,-3.0 -2,-0.4 2,-0.4 -0.935 13.1-151.6-138.7 162.9 61.9 18.8 22.6 211 234 A V E -cE 33 46A 0 -165,-2.6 -165,-1.7 -2,-0.3 2,-0.4 -0.994 4.0-168.2-137.2 141.7 60.7 21.4 20.2 212 235 A I E -cE 34 45A 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4,-2.7 1,-0.2 5,-0.3 0.913 107.5 56.4 -61.7 -42.4 47.4 41.1 37.9 370 393 A A H X S+ 0 0 25 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.883 109.9 47.1 -57.1 -37.4 45.5 38.6 35.6 371 394 A N H X S+ 0 0 53 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.911 110.8 48.8 -72.9 -42.2 44.7 41.6 33.3 372 395 A V H X S+ 0 0 28 -4,-2.3 4,-1.1 1,-0.2 3,-0.4 0.917 112.2 49.5 -64.3 -40.3 48.3 42.9 33.2 373 396 A L H X S+ 0 0 35 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.842 105.3 58.7 -66.1 -32.3 49.7 39.5 32.4 374 397 A D H X S+ 0 0 44 -4,-1.3 4,-2.7 -5,-0.3 5,-0.2 0.806 96.8 60.6 -67.7 -30.0 47.1 39.0 29.7 375 398 A I H X S+ 0 0 18 -4,-1.2 4,-2.3 -3,-0.4 -1,-0.2 0.940 107.6 45.6 -60.6 -46.1 48.4 42.1 27.9 376 399 A D H < S+ 0 0 81 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.841 112.8 50.9 -65.3 -35.3 51.7 40.3 27.6 377 400 A F H < S+ 0 0 37 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.878 114.9 41.8 -71.3 -37.9 50.1 37.1 26.5 378 401 A R H < S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.797 129.6 27.4 -79.7 -28.5 48.0 38.8 23.8 379 402 A Y S < S+ 0 0 48 -4,-2.3 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-1,-0.2 0.859 112.6 57.3 -67.5 -32.3 62.9 27.5 21.6 390 413 A E H X S+ 0 0 20 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.951 108.5 47.5 -58.8 -47.6 65.2 27.3 24.6 391 414 A W H X S+ 0 0 97 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.918 110.7 51.0 -59.1 -47.4 62.5 29.0 26.6 392 415 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.932 110.2 48.3 -58.6 -47.8 59.7 26.7 25.2 393 416 A A H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.881 109.7 52.6 -63.0 -38.3 61.6 23.5 26.1 394 417 A D H >< S+ 0 0 23 -4,-2.1 3,-0.9 -5,-0.2 4,-0.2 0.900 108.4 51.2 -64.3 -39.0 62.4 24.8 29.7 395 418 A T H >X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 3,-2.0 0.872 99.2 65.9 -66.4 -34.5 58.6 25.5 30.2 396 419 A M H 3< S+ 0 0 8 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.744 100.1 50.0 -61.0 -23.2 57.8 21.9 29.0 397 420 A I T << S+ 0 0 25 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.468 114.4 46.6 -93.5 -0.1 59.5 20.5 32.1 398 421 A R T <4 S+ 0 0 62 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.717 118.0 17.2-108.3 -29.9 57.6 22.8 34.3 399 422 A V S < S- 0 0 12 -4,-2.1 -1,-0.2 -119,-0.0 5,-0.1 -0.924 91.9 -72.8-141.9 165.8 54.0 22.6 33.1 400 423 A P > - 0 0 63 0, 0.0 3,-2.7 0, 0.0 7,-0.1 -0.306 51.2-116.4 -56.4 141.3 51.5 20.5 31.1 401 424 A V G > S+ 0 0 18 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.758 112.8 68.2 -54.7 -26.7 52.4 20.9 27.4 402 425 A E G 3 S+ 0 0 36 1,-0.3 -390,-1.7 -391,-0.1 -1,-0.3 0.676 104.4 46.6 -67.4 -13.0 49.0 22.5 26.7 403 426 A H G <> S+ 0 0 7 -3,-2.7 4,-1.8 -392,-0.2 -1,-0.3 0.176 74.2 112.3-111.2 14.7 50.3 25.4 28.8 404 427 A T T <4 S+ 0 0 0 -3,-1.8 4,-0.2 1,-0.2 -1,-0.1 0.803 89.8 34.3 -58.2 -28.9 53.7 25.8 27.2 405 428 A L T 4 S+ 0 0 15 -393,-0.3 3,-0.2 -4,-0.2 -1,-0.2 0.802 123.3 40.1 -95.8 -35.4 52.7 29.1 25.8 406 429 A D T >> S+ 0 0 7 -394,-0.2 4,-3.2 -4,-0.2 3,-1.7 0.436 81.8 111.0 -95.8 -0.5 50.4 30.5 28.6 407 430 A A T 3< S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.1 0.833 82.7 35.7 -39.2 -57.7 52.4 29.4 31.5 408 431 A V T 34 S+ 0 0 61 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.495 124.6 43.4 -83.4 -1.1 53.7 32.7 32.8 409 432 A N T <4 S+ 0 0 12 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-173,-0.1 0.811 116.9 48.9 -58.5 -32.4 82.0 47.7 48.4 439 462 A K T 3 S+ 0 0 199 -3,-0.1 -180,-0.1 2,-0.0 -3,-0.0 0.152 77.6 135.6 -98.5 21.5 82.8 48.2 52.1 440 463 A E < - 0 0 7 -3,-1.4 2,-0.1 -182,-0.1 -181,-0.1 -0.367 59.6-110.8 -68.3 144.5 81.0 45.2 53.5 441 464 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.418 40.5-177.3 -72.7 154.0 82.9 43.2 56.2 442 465 A H + 0 0 103 -2,-0.1 12,-0.2 -184,-0.1 3,-0.1 -0.987 29.9 169.6-154.4 145.9 84.0 39.7 55.1 443 466 A N + 0 0 110 10,-1.7 2,-0.3 -2,-0.3 11,-0.2 0.085 69.5 61.0-141.7 18.0 85.8 36.7 56.7 444 467 A K E -N 453 0D 105 9,-1.3 9,-1.9 2,-0.0 2,-0.5 -0.984 62.6-146.8-145.7 153.1 85.2 34.1 54.0 445 468 A T E -N 452 0D 90 -2,-0.3 5,-0.1 7,-0.2 3,-0.1 -0.970 24.6-124.6-128.5 117.7 86.1 33.6 50.3 446 469 A A > - 0 0 0 5,-2.8 4,-1.8 -2,-0.5 5,-0.3 -0.323 39.0 -95.6 -60.5 134.6 83.8 31.8 48.0 447 470 A Y T 4 S- 0 0 71 1,-0.2 2,-2.8 2,-0.2 -1,-0.1 -0.189 92.8 -15.1 -54.9 135.5 85.3 28.9 46.1 448 471 A F T 4 S+ 0 0 37 1,-0.2 -1,-0.2 -3,-0.1 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76.0 3.2 811 834 A A H X S+ 0 0 43 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.877 111.1 46.8 -68.7 -34.6 90.6 73.7 1.8 812 835 A F H >X S+ 0 0 12 -4,-1.7 4,-1.8 -3,-0.2 3,-0.6 0.914 96.6 70.4 -72.0 -47.3 88.0 70.9 1.6 813 836 A F H 3X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.837 96.4 49.2 -40.2 -56.4 85.1 72.8 -0.0 814 837 A P H 3> S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.888 110.9 50.2 -55.9 -42.7 86.5 73.2 -3.5 815 838 A T H < S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.934 108.5 50.1 -64.6 -44.7 80.2 66.4 -7.1 821 844 A R H 3< S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.6 48.6 -64.3 -28.3 80.5 67.6 -10.7 822 845 A A T 3< S+ 0 0 75 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.436 78.3 132.7 -92.8 0.1 82.4 64.5 -11.8 823 846 A M < - 0 0 17 -3,-1.2 -3,-0.1 -4,-0.5 -4,-0.0 -0.274 58.0-122.8 -56.2 130.2 80.1 62.0 -10.2 824 847 A K > - 0 0 124 1,-0.1 4,-2.1 55,-0.1 5,-0.2 -0.348 19.6-114.0 -71.3 154.5 79.3 59.2 -12.6 825 848 A P H > S+ 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.905 113.3 53.4 -55.9 -42.5 75.6 58.5 -13.5 826 849 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.956 110.7 42.4 -59.0 -56.7 75.6 55.1 -11.8 827 850 A E H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.872 115.1 52.3 -61.0 -35.6 76.9 56.2 -8.4 828 851 A F H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.920 107.5 50.6 -66.6 -43.6 74.7 59.3 -8.5 829 852 A A H X S+ 0 0 30 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.895 109.1 52.6 -60.7 -39.9 71.6 57.2 -9.2 830 853 A Q H X S+ 0 0 52 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.853 108.2 51.2 -65.0 -35.0 72.5 54.9 -6.3 831 854 A I H X S+ 0 0 38 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.965 110.4 48.1 -65.6 -51.5 72.7 57.9 -4.1 832 855 A Q H X S+ 0 0 32 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.933 113.0 48.5 -52.8 -51.4 69.3 59.2 -5.1 833 856 A Q H X S+ 0 0 122 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.905 109.9 51.2 -57.5 -45.0 67.8 55.7 -4.6 834 857 A A H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 113.6 44.3 -61.1 -43.4 69.3 55.3 -1.2 835 858 A V H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.920 114.0 48.6 -68.2 -45.7 68.0 58.7 0.1 836 859 A I H X S+ 0 0 25 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.921 112.1 50.9 -60.1 -42.5 64.6 58.2 -1.4 837 860 A T H < S+ 0 0 96 -4,-2.8 4,-0.4 -5,-0.3 -2,-0.2 0.924 111.0 47.2 -61.6 -45.4 64.5 54.7 0.2 838 861 A Q H >< S+ 0 0 101 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.907 111.5 51.8 -62.5 -42.5 65.5 56.1 3.6 839 862 A M H 3< S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.818 114.1 42.3 -64.5 -32.5 62.9 58.9 3.3 840 863 A L T 3< S+ 0 0 94 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.331 83.6 137.4 -96.4 5.8 60.1 56.5 2.5 841 864 A Q < - 0 0 127 -3,-1.0 -3,-0.1 -4,-0.4 -4,-0.0 -0.258 60.5-109.4 -57.4 135.3 61.1 53.9 5.1 842 865 A A - 0 0 50 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.357 32.7-109.4 -66.7 141.1 58.2 52.5 7.0 843 866 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.397 18.1-146.8 -68.4 151.1 57.8 53.5 10.7 844 867 A Q S S+ 0 0 166 -2,-0.0 2,-0.3 1,-0.0 3,-0.1 0.543 77.4 27.9 -97.4 -7.7 58.6 50.7 13.1 845 868 A T S > S- 0 0 76 1,-0.1 4,-1.8 0, 0.0 5,-0.1 -0.936 81.6-111.0-144.1 165.6 56.1 51.8 15.8 846 869 A L H > S+ 0 0 11 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.930 119.4 55.8 -63.8 -43.5 52.8 53.7 16.0 847 870 A G H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 107.1 49.0 -55.7 -39.9 54.7 56.5 17.8 848 871 A E H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 108.0 53.8 -69.4 -35.7 57.1 56.7 14.9 849 872 A E H X S+ 0 0 9 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.936 112.3 44.5 -63.0 -44.4 54.2 56.8 12.4 850 873 A A H >X S+ 0 0 4 -4,-2.6 4,-1.1 1,-0.2 3,-0.9 0.900 110.9 54.9 -65.5 -39.9 52.6 59.7 14.3 851 874 A S H 3X S+ 0 0 77 -4,-2.5 4,-0.5 1,-0.3 3,-0.4 0.871 103.1 55.3 -61.6 -37.9 56.0 61.4 14.5 852 875 A K H 3< S+ 0 0 49 -4,-2.2 4,-0.3 1,-0.2 -1,-0.3 0.704 113.2 43.7 -68.2 -18.0 56.4 61.2 10.7 853 876 A L H >S+ 0 0 6 -4,-0.3 5,-2.6 2,-0.2 4,-0.5 0.853 117.9 51.1 -64.9 -33.7 52.8 68.5 8.4 857 880 A F H ><5S+ 0 0 4 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.950 110.7 48.2 -66.4 -48.9 50.2 68.5 11.2 858 881 A D H 3<5S+ 0 0 38 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.881 115.4 44.4 -58.1 -41.1 52.0 71.2 13.1 859 882 A R H 3<5S- 0 0 49 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.484 114.1-115.9 -85.7 -1.9 52.3 73.3 10.0 860 883 A G T <<5 + 0 0 47 -3,-1.0 2,-1.3 -4,-0.5 -3,-0.2 0.713 61.4 149.9 77.4 20.6 48.7 72.8 8.9 861 884 A N > < - 0 0 33 -5,-2.6 3,-1.6 -6,-0.2 -1,-0.2 -0.724 19.9-179.3 -88.6 93.1 49.5 70.9 5.7 862 885 A M T 3 S+ 0 0 48 -2,-1.3 -1,-0.2 1,-0.3 -360,-0.1 0.513 76.2 66.6 -72.2 -4.5 46.5 68.7 5.4 863 886 A R T 3 S- 0 0 161 -7,-0.1 -1,-0.3 -362,-0.1 -2,-0.1 0.511 88.6-153.5 -91.3 -3.9 47.7 67.1 2.2 864 887 A F < + 0 0 19 -3,-1.6 3,-0.2 1,-0.2 4,-0.2 0.780 51.2 131.6 33.3 43.7 50.5 65.6 4.3 865 888 A D > + 0 0 33 1,-0.1 4,-2.8 2,-0.1 5,-0.2 0.262 20.9 112.4-105.1 10.9 52.6 65.6 1.1 866 889 A S H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.903 82.4 45.4 -50.0 -49.3 55.9 67.2 2.3 867 890 A R H > S+ 0 0 78 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.916 113.1 48.6 -61.6 -48.0 57.9 63.9 1.9 868 891 A D H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 110.4 52.9 -60.4 -40.7 56.5 63.1 -1.5 869 892 A K H X S+ 0 0 89 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.880 110.5 46.4 -62.2 -39.8 57.2 66.6 -2.6 870 893 A I H X S+ 0 0 14 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.913 111.5 51.6 -69.3 -41.9 60.9 66.3 -1.5 871 894 A V H X S+ 0 0 13 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.888 107.0 54.3 -60.4 -39.8 61.2 62.9 -3.2 872 895 A A H X S+ 0 0 48 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.895 110.9 45.3 -63.3 -39.3 59.9 64.4 -6.4 873 896 A Q H >< S+ 0 0 61 -4,-1.5 3,-0.7 1,-0.2 4,-0.4 0.857 106.5 59.4 -72.4 -34.8 62.5 67.1 -6.3 874 897 A I H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.893 102.0 55.0 -59.8 -37.8 65.3 64.5 -5.4 875 898 A K H 3< S+ 0 0 142 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.751 104.4 53.6 -67.4 -25.1 64.5 62.7 -8.7 876 899 A L T << S+ 0 0 112 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.428 88.8 109.6 -89.3 -0.5 65.0 65.9 -10.7 877 900 A L < - 0 0 8 -3,-1.2 -45,-0.1 -4,-0.4 3,-0.1 -0.414 44.5-175.2 -79.2 153.1 68.5 66.5 -9.2 878 901 A T > - 0 0 54 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.944 41.2-105.5-141.3 159.7 71.8 66.1 -11.1 879 902 A P H > S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.926 121.9 51.7 -54.1 -43.5 75.4 66.3 -10.2 880 903 A Q H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.930 110.5 47.1 -58.6 -48.1 75.7 69.7 -11.9 881 904 A K H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.927 111.4 51.3 -59.6 -47.6 72.7 71.1 -10.0 882 905 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.924 110.6 48.6 -56.2 -46.4 74.0 69.8 -6.7 883 906 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.870 109.4 52.0 -63.5 -38.6 77.4 71.4 -7.3 884 907 A D H X S+ 0 0 49 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.883 112.9 45.1 -65.1 -39.6 75.8 74.8 -8.2 885 908 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.931 113.7 50.0 -68.0 -46.7 73.8 74.7 -5.0 886 909 A F H X>S+ 0 0 0 -4,-2.9 4,-3.3 -5,-0.2 5,-1.3 0.905 112.6 47.7 -57.5 -42.8 76.9 73.7 -3.0 887 910 A H H <>S+ 0 0 42 -4,-2.8 5,-3.2 3,-0.2 -2,-0.2 0.948 114.8 44.7 -63.3 -50.5 78.8 76.5 -4.7 888 911 A Q H <5S+ 0 0 59 -4,-2.5 6,-2.0 3,-0.2 7,-0.4 0.818 123.6 36.8 -63.8 -33.7 76.1 79.1 -4.0 889 912 A A H <5S+ 0 0 2 -4,-2.8 6,-0.2 4,-0.2 -2,-0.2 0.930 135.9 7.5 -85.6 -50.1 75.7 77.8 -0.4 890 913 A V T <5S+ 0 0 4 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.892 124.8 45.0-102.2 -56.3 79.2 76.9 0.7 891 914 A V T S+ 0 0 164 1,-0.1 4,-0.7 2,-0.1 -176,-0.0 -0.298 70.7 123.6 60.1-143.9 94.9 77.1 27.0 907 930 A N H >> S- 0 0 48 2,-0.1 3,-0.8 3,-0.1 4,-0.5 0.979 97.7 -53.7 53.7 64.7 96.3 76.9 23.4 908 931 A G H 34 S- 0 0 64 1,-0.2 -2,-0.1 2,-0.1 -1,-0.0 -0.598 111.1 -29.2 77.5-129.6 97.8 80.3 23.4 909 932 A K H 34 S- 0 0 201 -2,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 -0.099 96.7 -91.0-114.7 33.2 95.4 83.1 24.2 910 933 A A H << - 0 0 37 -3,-0.8 2,-0.2 -4,-0.7 -2,-0.1 0.990 56.6-157.3 55.9 78.1 92.3 81.4 23.0 911 934 A E < - 0 0 101 -4,-0.5 -108,-0.3 -8,-0.2 2,-0.2 -0.510 12.6-168.5 -88.1 154.6 92.1 82.6 19.4 912 935 A Y - 0 0 37 -2,-0.2 2,-0.4 -110,-0.1 -187,-0.1 -0.649 37.5 -77.1-125.6-177.6 89.1 82.8 17.1 913 936 A V - 0 0 14 -2,-0.2 -12,-0.1 -14,-0.1 -14,-0.0 -0.731 34.3-165.2 -89.7 133.0 88.7 83.4 13.3 914 937 A H + 0 0 156 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.642 21.7 166.2-116.2 72.7 89.0 87.0 12.1 915 938 A P > - 0 0 26 0, 0.0 3,-1.0 0, 0.0 2,-0.2 -0.691 39.0-109.3 -94.1 144.4 87.6 87.1 8.6 916 939 A E T 3 S+ 0 0 177 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.433 100.9 23.9 -68.6 133.7 86.7 90.2 6.7 917 940 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -2,-0.2 -196,-0.2 0.716 94.4 117.3 85.7 21.3 83.0 90.8 6.1 918 941 A W < - 0 0 57 -3,-1.0 2,-0.5 -198,-0.1 -1,-0.3 -0.985 52.3-147.8-124.6 130.9 81.9 88.7 9.1 919 942 A K E -v 722 0G 116 -198,-2.2 -196,-1.8 -2,-0.4 2,-0.6 -0.859 9.6-141.1-102.5 127.1 80.0 90.1 12.1 920 943 A V E -v 723 0G 65 -2,-0.5 2,-0.4 -198,-0.2 -196,-0.2 -0.737 20.2-154.4 -84.3 119.1 80.5 88.6 15.6 921 944 A W - 0 0 40 -198,-2.3 -196,-0.4 -2,-0.6 3,-0.1 -0.785 15.8-138.6 -98.4 141.1 77.2 88.5 17.4 922 945 A E S S- 0 0 183 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.913 84.0 -9.9 -58.9 -46.9 77.0 88.5 21.2 923 946 A N > - 0 0 39 1,-0.1 4,-1.3 -3,-0.1 3,-0.3 -0.973 65.1-112.8-151.1 159.8 74.2 85.9 21.3 924 947 A V H > S+ 0 0 7 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.888 115.0 63.5 -62.4 -38.1 71.9 84.2 18.8 925 948 A S H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 101.1 50.2 -52.1 -45.8 69.0 85.9 20.5 926 949 A A H 4 S+ 0 0 23 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.872 114.0 45.1 -62.8 -38.0 70.4 89.3 19.3 927 950 A L H >X S+ 0 0 0 -4,-1.3 3,-1.4 -3,-0.2 4,-0.7 0.914 110.2 53.0 -71.9 -44.7 70.8 88.0 15.8 928 951 A Q H >< S+ 0 0 13 -4,-3.4 3,-1.5 1,-0.3 -2,-0.2 0.914 100.6 62.8 -57.4 -42.5 67.4 86.4 15.6 929 952 A Q T 3< S+ 0 0 144 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.711 105.0 47.7 -56.7 -21.2 65.8 89.7 16.7 930 953 A T T <4 S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.569 91.3 97.8 -98.5 -10.1 67.1 91.3 13.5 931 954 A M S << S- 0 0 7 -3,-1.5 -215,-0.1 -4,-0.7 2,-0.0 -0.481 78.8-103.8 -83.6 150.3 66.0 88.7 11.0 932 955 A P - 0 0 42 0, 0.0 -217,-1.9 0, 0.0 2,-0.3 -0.356 35.0-147.7 -67.4 148.8 62.8 88.9 8.8 933 956 A L E -T 714 0F 86 -219,-0.2 2,-0.3 -147,-0.0 -219,-0.2 -0.887 8.6-160.2-119.5 151.2 59.9 86.6 9.8 934 957 A M E -T 713 0F 42 -221,-2.0 -221,-1.5 -2,-0.3 2,-0.2 -0.903 13.4-125.7-128.2 158.2 57.3 84.9 7.7 935 958 A S E -T 712 0F 66 -2,-0.3 2,-0.6 -223,-0.2 -223,-0.2 -0.599 41.4 -77.6-102.6 163.4 53.9 83.4 8.4 936 959 A E 0 0 39 -225,-0.7 -1,-0.1 -2,-0.2 -226,-0.0 -0.427 360.0 360.0 -62.9 106.6 52.4 79.9 7.8 937 960 A K 0 0 232 -2,-0.6 -1,-0.2 -3,-0.0 -77,-0.0 0.984 360.0 360.0 -64.7 360.0 51.5 79.8 4.1