==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN, HYDROLASE 30-DEC-03 1S0B . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN TYPE B; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR S.ESWARAMOORTHY,D.KUMARAN,J.KELLER,S.SWAMINATHAN . 1287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 849 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 230 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 115 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.1 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 0 3 4 3 1 1 0 1 3 1 0 0 1 0 0 2 0 0 0 0 1 1 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 14 6 9 5 2 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 5 0 0 0 1 1 1 0 0 1 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 1 A P 0 0 134 0, 0.0 2,-0.5 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 177.6 41.2 5.7 47.1 2 2 A V - 0 0 9 97,-0.1 2,-0.5 37,-0.0 107,-0.0 -0.968 360.0-153.4-119.4 126.7 37.7 4.6 48.4 3 3 A T - 0 0 104 -2,-0.5 2,-0.6 37,-0.0 37,-0.2 -0.869 2.9-156.0-102.6 125.2 37.3 2.7 51.6 4 4 A I - 0 0 13 -2,-0.5 35,-0.2 35,-0.1 34,-0.1 -0.885 18.8-138.1-100.1 116.8 34.3 0.4 52.0 5 5 A N - 0 0 49 33,-2.7 2,-0.3 -2,-0.6 33,-0.0 -0.286 11.1-138.9 -71.5 159.2 33.4 -0.1 55.7 6 6 A N + 0 0 128 2,-0.0 2,-0.3 86,-0.0 -1,-0.0 -0.898 34.1 138.8-118.9 150.0 32.4 -3.5 57.1 7 7 A F - 0 0 12 -2,-0.3 2,-0.3 29,-0.0 29,-0.0 -0.949 40.7-120.8-179.1 160.7 29.7 -4.2 59.6 8 8 A N > - 0 0 85 -2,-0.3 3,-1.9 1,-0.1 77,-0.0 -0.861 30.9-117.2-114.2 151.7 26.9 -6.6 60.5 9 9 A Y T 3 S+ 0 0 21 -2,-0.3 -1,-0.1 1,-0.3 73,-0.1 0.820 114.2 54.1 -56.2 -34.8 23.2 -5.6 60.9 10 10 A N T 3 S+ 0 0 114 71,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.454 79.7 123.1 -82.6 0.4 23.2 -6.5 64.6 11 11 A D S < S- 0 0 43 -3,-1.9 3,-0.1 1,-0.1 -4,-0.0 -0.283 72.1 -96.2 -60.6 148.7 26.2 -4.3 65.4 12 12 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.298 35.8-105.5 -66.5 149.0 25.5 -1.7 68.1 13 13 A I + 0 0 67 1,-0.1 6,-0.2 -3,-0.1 21,-0.0 -0.596 37.1 175.6 -74.0 132.9 24.6 1.8 67.2 14 14 A D - 0 0 81 4,-1.8 5,-0.2 -2,-0.3 -1,-0.1 0.279 42.6-123.5-120.9 6.1 27.5 4.1 67.9 15 15 A N S S+ 0 0 50 3,-1.6 4,-0.2 1,-0.1 -2,-0.1 0.586 98.3 67.0 61.1 12.0 26.0 7.3 66.6 16 16 A N S S- 0 0 75 2,-0.5 -1,-0.1 3,-0.0 3,-0.1 0.657 118.9 -1.2-121.6 -68.6 28.9 7.7 64.2 17 17 A N S S+ 0 0 53 1,-0.3 20,-2.8 19,-0.1 2,-0.4 0.549 136.1 45.5-104.4 -12.6 29.0 5.0 61.5 18 18 A I E S+A 36 0A 10 18,-0.2 -4,-1.8 2,-0.0 -3,-1.6 -0.973 82.3 156.9-131.6 114.1 25.9 3.1 62.6 19 19 A I E -A 35 0A 0 16,-2.4 16,-2.9 -2,-0.4 2,-0.7 -0.745 50.5-112.6-133.2 177.2 23.0 5.4 63.5 20 20 A M E -A 34 0A 45 120,-0.4 120,-3.0 14,-0.3 2,-0.3 -0.961 47.9-162.7-113.3 103.8 19.3 5.7 63.8 21 21 A M E -AB 33 139A 0 12,-3.2 12,-3.0 -2,-0.7 118,-0.2 -0.643 24.5-143.5 -96.9 150.9 18.4 8.1 61.0 22 22 A E E - B 0 138A 8 116,-2.7 116,-0.7 -2,-0.3 10,-0.1 -0.881 33.0-137.1-110.6 92.6 15.3 10.2 60.3 23 23 A P > > - 0 0 1 0, 0.0 3,-2.2 0, 0.0 5,-0.5 -0.132 17.1-113.5 -51.0 144.3 15.0 9.9 56.5 24 24 A P G > 5S+ 0 0 13 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.855 115.0 53.7 -48.3 -45.7 14.1 13.1 54.5 25 25 A F G 3 5S+ 0 0 9 1,-0.3 27,-0.1 2,-0.1 488,-0.1 0.411 89.3 78.9 -76.4 6.0 10.7 11.9 53.5 26 26 A A G X 5S- 0 0 13 -3,-2.2 3,-1.7 25,-0.1 -1,-0.3 0.586 91.4-139.9 -86.1 -10.9 9.7 11.2 57.1 27 27 A R T < 5 - 0 0 115 -3,-1.4 484,-0.2 -4,-0.3 -2,-0.1 0.759 58.4 -71.5 58.1 25.3 9.1 14.9 57.6 28 28 A G T 3 S- C 0 42A 2 3,-1.3 3,-2.1 -35,-0.2 -1,-0.2 -0.908 103.6 -57.5-153.9 170.1 31.6 5.0 52.7 40 40 A D T 3 S+ 0 0 88 -2,-0.3 115,-0.1 1,-0.3 3,-0.1 -0.315 125.0 2.1 -56.0 138.9 31.9 8.7 53.6 41 41 A R T 3 S+ 0 0 8 113,-0.2 116,-2.3 1,-0.1 115,-2.2 0.480 111.6 103.6 61.5 4.8 28.6 10.5 52.8 42 42 A I E < -Cd 39 157A 0 -3,-2.1 -4,-1.4 114,-0.2 -3,-1.3 -0.971 48.9-173.7-123.4 124.4 26.9 7.2 51.7 43 43 A W E -Cd 37 158A 0 114,-3.1 116,-3.1 -2,-0.5 2,-0.4 -0.877 13.6-152.7-117.7 148.6 24.4 5.3 53.8 44 44 A I E -Cd 36 159A 0 -8,-2.8 -8,-2.5 -2,-0.3 116,-0.2 -0.968 5.8-171.8-118.3 129.8 22.6 2.0 53.5 45 45 A I E - d 0 160A 0 114,-3.3 2,-2.8 -2,-0.4 116,-0.7 -0.889 15.0-152.2-122.7 97.4 19.2 1.4 55.1 46 46 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 114,-0.1 -0.270 60.9 96.7 -67.8 58.5 18.4 -2.3 54.7 47 47 A E S S- 0 0 24 -2,-2.8 114,-2.9 114,-0.1 -2,-0.1 -0.971 83.0 -84.2-144.7 157.4 14.6 -1.9 54.7 48 48 A R - 0 0 27 -2,-0.3 2,-0.8 30,-0.2 115,-0.2 -0.285 43.4-116.1 -62.0 146.3 11.8 -1.6 52.2 49 49 A Y + 0 0 0 113,-1.4 -1,-0.1 112,-0.3 144,-0.0 -0.792 44.0 164.6 -86.2 111.5 11.3 1.9 50.7 50 50 A T > + 0 0 59 -2,-0.8 3,-2.2 113,-0.1 2,-0.3 0.517 24.5 125.5-108.5 -8.3 7.7 2.8 51.9 51 51 A F T 3 S+ 0 0 20 1,-0.3 3,-0.1 466,-0.1 -25,-0.1 -0.351 88.1 2.7 -60.2 114.6 7.5 6.6 51.3 52 52 A G T 3 S+ 0 0 24 -2,-0.3 466,-2.7 1,-0.3 2,-0.4 0.511 108.2 108.4 90.1 5.4 4.5 7.3 49.2 53 53 A Y < - 0 0 32 -3,-2.2 -1,-0.3 464,-0.1 466,-0.1 -0.900 67.7-122.8-118.3 146.5 3.3 3.7 48.9 54 54 A K > - 0 0 81 -2,-0.4 3,-0.8 464,-0.2 4,-0.3 -0.626 25.5-124.4 -81.8 142.5 0.2 2.1 50.5 55 55 A P G > S+ 0 0 106 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.881 111.5 52.8 -54.6 -40.9 1.1 -1.0 52.6 56 56 A E G > S+ 0 0 113 1,-0.3 3,-2.3 2,-0.2 -2,-0.0 0.795 92.6 74.4 -67.6 -25.7 -1.2 -3.2 50.6 57 57 A D G < S+ 0 0 15 -3,-0.8 -1,-0.3 1,-0.3 4,-0.1 0.617 78.9 74.2 -64.2 -9.1 0.4 -2.1 47.4 58 58 A F G < S+ 0 0 20 -3,-1.4 16,-0.3 -4,-0.3 2,-0.3 0.572 86.1 79.7 -78.7 -7.0 3.4 -4.3 48.4 59 59 A N S < S- 0 0 81 -3,-2.3 2,-0.1 15,-0.1 15,-0.1 -0.764 97.2-102.3 -99.1 146.0 1.2 -7.3 47.4 60 60 A K + 0 0 91 -2,-0.3 2,-0.2 13,-0.1 4,-0.1 -0.440 56.2 162.6 -64.6 136.8 0.7 -8.3 43.8 61 61 A S - 0 0 45 2,-0.5 -1,-0.1 -4,-0.1 12,-0.0 -0.622 56.5 -78.4-139.0-162.2 -2.7 -7.1 42.6 62 62 A S S S+ 0 0 107 -2,-0.2 461,-1.8 367,-0.1 462,-0.3 0.281 108.1 72.8 -88.9 9.6 -4.8 -6.4 39.5 63 63 A G E -I 522 0B 5 459,-0.2 -2,-0.5 460,-0.1 2,-0.3 -0.680 63.1-156.9-119.1 174.0 -2.8 -3.2 39.1 64 64 A I E -I 521 0B 0 457,-2.2 457,-2.7 -2,-0.2 3,-0.1 -0.970 15.7-146.7-146.3 156.9 0.7 -2.0 38.2 65 65 A F S S+ 0 0 32 -2,-0.3 2,-0.5 1,-0.3 454,-0.1 0.875 88.7 33.9 -92.1 -46.7 2.8 1.0 38.9 66 66 A N > - 0 0 42 3,-0.1 3,-0.9 1,-0.1 365,-0.3 -0.942 67.1-149.5-114.8 130.1 4.8 1.3 35.6 67 67 A R T 3 S+ 0 0 38 -2,-0.5 364,-0.1 1,-0.2 381,-0.1 0.593 93.7 51.6 -72.9 -11.9 3.2 0.3 32.3 68 68 A D T 3 S+ 0 0 29 380,-0.1 2,-0.3 362,-0.1 -1,-0.2 -0.049 95.4 81.3-117.3 35.4 6.5 -0.8 30.6 69 69 A V S < S- 0 0 30 -3,-0.9 2,-1.4 360,-0.1 362,-0.4 -0.999 72.7-130.0-142.9 138.1 7.8 -3.2 33.3 70 70 A C - 0 0 11 -2,-0.3 2,-0.4 307,-0.3 360,-0.2 -0.741 44.4-149.6 -83.1 96.5 7.2 -6.9 34.2 71 71 A E E -J 429 0C 0 358,-2.3 358,-2.3 -2,-1.4 2,-0.5 -0.570 11.9-157.5 -80.0 125.6 6.7 -6.1 37.9 72 72 A Y E -J 428 0C 16 -2,-0.4 94,-1.8 356,-0.2 2,-0.4 -0.858 9.2-163.7-102.6 132.3 7.7 -8.6 40.6 73 73 A Y B +K 165 0D 3 354,-1.8 92,-0.1 -2,-0.5 -13,-0.1 -0.913 22.3 153.5-117.4 143.3 6.1 -8.4 44.0 74 74 A D > - 0 0 34 90,-0.6 3,-1.3 -2,-0.4 -15,-0.1 -0.566 18.2-170.9-167.8 93.4 7.2 -10.0 47.3 75 75 A P T 3 S+ 0 0 52 0, 0.0 -16,-0.1 0, 0.0 -27,-0.1 0.582 84.6 64.5 -65.4 -11.4 6.2 -8.3 50.6 76 76 A D T > + 0 0 89 2,-0.1 3,-2.0 3,-0.0 4,-0.1 0.653 69.3 116.8 -88.4 -16.0 8.4 -10.6 52.6 77 77 A Y T < S+ 0 0 29 -3,-1.3 -29,-0.2 1,-0.3 -3,-0.1 -0.303 91.0 4.2 -54.0 130.9 11.7 -9.5 51.0 78 78 A L T 3 S+ 0 0 8 1,-0.1 -1,-0.3 -31,-0.1 -30,-0.2 0.735 89.3 131.7 63.8 27.8 13.8 -8.0 53.9 79 79 A N < + 0 0 79 -3,-2.0 2,-0.3 -32,-0.1 -2,-0.1 0.380 60.3 54.7 -92.5 7.2 11.3 -8.9 56.6 80 80 A T S > S- 0 0 58 -4,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.950 83.9-116.7-136.2 157.5 13.8 -10.4 59.0 81 81 A N H > S+ 0 0 86 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.887 116.9 51.8 -58.9 -39.7 17.1 -9.3 60.6 82 82 A D H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 108.1 51.3 -66.9 -34.4 19.0 -12.0 58.8 83 83 A K H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 109.1 51.7 -68.1 -37.2 17.5 -10.9 55.5 84 84 A K H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 108.6 50.5 -64.5 -41.7 18.6 -7.3 56.3 85 85 A N H X S+ 0 0 40 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.850 107.9 52.6 -65.3 -35.0 22.2 -8.5 57.1 86 86 A I H X S+ 0 0 66 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.925 107.9 52.2 -65.8 -41.9 22.3 -10.4 53.8 87 87 A F H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.934 110.4 49.0 -57.4 -47.7 21.3 -7.2 52.0 88 88 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.943 112.3 45.4 -58.3 -53.2 24.1 -5.3 53.8 89 89 A Q H X S+ 0 0 48 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.851 113.0 52.5 -60.8 -34.7 26.8 -7.8 53.0 90 90 A T H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.918 109.1 48.3 -69.1 -41.3 25.6 -7.9 49.4 91 91 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.901 110.7 52.2 -64.5 -38.7 25.8 -4.1 49.1 92 92 A I H X S+ 0 0 8 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.915 110.1 48.6 -62.2 -42.5 29.3 -4.2 50.6 93 93 A K H X S+ 0 0 20 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.922 110.8 50.4 -64.6 -43.4 30.3 -6.8 47.9 94 94 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.884 108.9 50.7 -63.2 -40.1 28.8 -4.7 45.1 95 95 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.889 109.9 51.6 -65.7 -35.1 30.6 -1.6 46.2 96 96 A N H X S+ 0 0 36 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.895 109.3 49.6 -67.2 -37.9 33.8 -3.6 46.3 97 97 A R H >< S+ 0 0 1 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.923 109.1 54.5 -65.5 -39.9 33.1 -4.8 42.7 98 98 A I H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 6,-0.3 0.926 111.9 40.8 -60.3 -45.7 32.5 -1.2 41.8 99 99 A K H 3< S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.507 87.2 94.9 -83.6 -0.2 35.9 0.0 43.0 100 100 A S T << S+ 0 0 46 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 0.621 90.6 46.0 -63.8 -10.6 37.7 -3.0 41.7 101 101 A K S <> S- 0 0 61 -3,-0.8 4,-2.5 -4,-0.2 3,-0.3 -0.984 87.9-120.8-134.3 146.2 38.4 -0.8 38.6 102 102 A P H > S+ 0 0 73 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.881 110.3 55.8 -48.4 -48.4 39.6 2.8 38.3 103 103 A L H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.917 113.6 38.9 -54.9 -49.1 36.5 3.9 36.3 104 104 A G H > S+ 0 0 0 -3,-0.3 4,-2.2 -6,-0.3 -1,-0.2 0.841 114.2 53.7 -72.0 -34.4 34.1 2.7 39.0 105 105 A E H X S+ 0 0 52 -4,-2.5 4,-2.7 -7,-0.2 -2,-0.2 0.907 108.8 51.2 -65.6 -37.6 36.3 3.9 41.9 106 106 A K H X S+ 0 0 24 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.882 106.7 53.3 -65.2 -39.1 36.4 7.3 40.2 107 107 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.929 111.3 46.6 -60.3 -46.2 32.6 7.3 40.0 108 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.926 111.8 49.7 -63.2 -45.2 32.4 6.6 43.7 109 109 A E H X S+ 0 0 32 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.892 109.6 51.4 -62.9 -38.6 35.0 9.2 44.6 110 110 A M H X S+ 0 0 6 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.898 112.3 47.6 -63.9 -38.8 33.1 11.8 42.5 111 111 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.912 111.9 48.5 -68.4 -43.5 29.9 11.0 44.4 112 112 A I H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 118.3 40.5 -64.0 -40.2 31.5 11.1 47.8 113 113 A N H < S+ 0 0 27 -4,-2.3 2,-2.1 -5,-0.2 -1,-0.2 0.642 90.9 89.7 -85.1 -13.6 33.2 14.5 47.1 114 114 A G < + 0 0 0 -4,-1.3 -1,-0.2 -5,-0.2 3,-0.1 -0.280 64.7 179.3 -80.6 55.6 30.2 15.9 45.3 115 115 A I - 0 0 4 -2,-2.1 41,-0.1 1,-0.1 3,-0.1 -0.284 34.2-102.5 -61.0 137.2 28.7 17.4 48.4 116 116 A P - 0 0 8 0, 0.0 71,-0.2 0, 0.0 72,-0.1 -0.247 41.7-100.5 -57.9 145.6 25.4 19.3 48.0 117 117 A Y - 0 0 0 69,-2.3 2,-2.2 121,-0.2 69,-0.1 -0.360 39.6-105.4 -63.8 150.2 25.8 23.1 48.1 118 118 A L S S+ 0 0 2 -3,-0.1 11,-2.3 70,-0.0 2,-0.3 -0.491 92.3 3.0 -80.6 75.6 24.8 24.4 51.5 119 119 A G - 0 0 0 -2,-2.2 2,-0.2 9,-0.2 -2,-0.1 -0.906 69.7-122.0 144.4-172.9 21.4 25.9 50.4 120 120 A D > - 0 0 8 -2,-0.3 3,-1.9 66,-0.1 9,-0.0 -0.791 54.2 -56.8-149.6-167.3 19.1 26.1 47.5 121 121 A R T 3 S+ 0 0 122 1,-0.3 4,-0.1 -2,-0.2 59,-0.0 0.734 128.0 57.3 -53.9 -26.3 17.3 28.8 45.3 122 122 A R T 3 S+ 0 0 87 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.633 85.2 98.6 -82.2 -13.8 15.6 30.3 48.3 123 123 A V S < S- 0 0 7 -3,-1.9 6,-0.0 1,-0.1 -4,-0.0 -0.568 82.8-109.5 -80.5 133.5 18.9 31.1 50.2 124 124 A P > - 0 0 59 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.262 27.6-119.5 -56.7 146.3 20.3 34.6 50.0 125 125 A L T 3 S+ 0 0 59 1,-0.3 179,-0.2 -4,-0.1 -2,-0.1 0.848 112.4 59.0 -57.6 -34.5 23.5 34.7 47.9 126 126 A E T 3 S+ 0 0 89 179,-0.2 180,-3.2 180,-0.1 181,-1.7 0.525 103.1 68.5 -73.8 -5.4 25.5 35.9 50.9 127 127 A E E < -l 307 0E 50 -3,-1.9 2,-0.5 178,-0.2 181,-0.2 -0.804 60.4-148.6-124.9 162.1 24.6 32.8 53.0 128 128 A F E -l 308 0E 0 179,-1.6 181,-0.7 -2,-0.3 182,-0.6 -0.975 23.2-168.7-115.6 127.6 25.0 29.1 53.5 129 129 A N + 0 0 36 -11,-2.3 3,-0.1 -2,-0.5 -6,-0.1 -0.950 16.7 174.0-126.0 111.6 21.9 27.5 55.0 130 130 A T + 0 0 2 -2,-0.5 2,-1.6 1,-0.2 6,-0.3 0.581 60.1 93.0 -89.9 -10.9 22.2 24.0 56.2 131 131 A N + 0 0 38 4,-0.1 2,-0.3 -13,-0.1 -1,-0.2 -0.271 62.8 99.6 -82.7 53.3 18.7 23.9 57.7 132 132 A I S >> S- 0 0 3 -2,-1.6 3,-2.1 -3,-0.1 4,-2.1 -0.983 80.0-116.4-136.6 147.6 16.9 22.4 54.7 133 133 A A T 34 S+ 0 0 2 379,-0.5 380,-0.1 377,-0.3 378,-0.1 0.644 111.2 57.7 -56.7 -20.9 15.8 18.9 54.0 134 134 A S T 34 S+ 0 0 2 54,-0.1 55,-2.7 1,-0.1 -1,-0.3 0.435 116.1 32.5 -91.4 -1.1 18.1 18.5 51.0 135 135 A V T <4 S+ 0 0 3 -3,-2.1 20,-0.8 1,-0.3 2,-0.4 0.718 116.7 41.6-119.2 -43.9 21.3 19.2 52.9 136 136 A T E < - E 0 154A 1 -4,-2.1 2,-0.4 -6,-0.3 -1,-0.3 -0.889 54.4-175.3-115.3 140.0 20.9 17.9 56.5 137 137 A V E - E 0 153A 1 16,-2.3 16,-1.8 -2,-0.4 2,-0.2 -0.974 25.6-122.2-129.1 143.0 19.4 14.7 57.8 138 138 A N E -BE 22 152A 2 -116,-0.7 -116,-2.7 -2,-0.4 2,-0.4 -0.612 15.7-161.6 -93.6 148.6 19.0 13.9 61.5 139 139 A K E -BE 21 151A 6 12,-2.8 12,-2.6 -2,-0.2 2,-0.6 -0.969 22.4-126.5-123.1 138.8 20.2 11.0 63.6 140 140 A L E + E 0 150A 20 -120,-3.0 -120,-0.4 -2,-0.4 10,-0.2 -0.774 28.2 174.0 -88.7 121.2 18.8 10.1 67.0 141 141 A I + 0 0 32 8,-2.8 9,-0.2 -2,-0.6 -1,-0.2 0.864 46.6 98.8 -91.0 -45.0 21.4 10.0 69.7 142 142 A S S S- 0 0 9 7,-1.4 4,-0.2 1,-0.1 3,-0.1 0.107 86.8 -81.2 -44.1 156.1 19.2 9.5 72.8 143 143 A N - 0 0 98 1,-0.2 3,-0.5 2,-0.1 5,-0.3 -0.158 63.5 -74.8 -59.1 152.4 18.7 6.0 74.3 144 144 A P S S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.231 118.6 36.9 -52.5 130.3 16.1 3.6 72.7 145 145 A G S S+ 0 0 84 -3,-0.1 2,-0.2 1,-0.0 -2,-0.1 0.713 106.8 68.8 98.2 25.5 12.5 4.6 73.5 146 146 A E - 0 0 85 -3,-0.5 3,-0.5 -4,-0.2 2,-0.2 -0.720 62.8-146.5-177.2 123.3 12.9 8.4 73.4 147 147 A V + 0 0 83 1,-0.2 3,-0.1 -2,-0.2 -6,-0.1 -0.021 57.9 137.2 -79.6 32.6 13.6 11.2 70.8 148 148 A E + 0 0 100 -5,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.839 65.4 19.6 -48.9 -46.2 15.5 12.9 73.7 149 149 A R - 0 0 144 -3,-0.5 -8,-2.8 -6,-0.1 -7,-1.4 -0.987 62.6-177.1-138.9 132.9 18.5 14.0 71.6 150 150 A K E -E 140 0A 95 -2,-0.4 2,-0.4 -10,-0.2 357,-0.3 -0.971 5.0-166.3-129.3 142.4 19.1 14.5 67.9 151 151 A K E -E 139 0A 100 -12,-2.6 -12,-2.8 -2,-0.4 2,-0.2 -0.948 18.8-129.0-124.1 143.2 22.2 15.6 65.9 152 152 A G E -EF 138 505A 0 353,-1.2 353,-2.1 -2,-0.4 2,-0.3 -0.570 23.4-174.9 -92.9 156.2 22.3 16.7 62.3 153 153 A I E -EF 137 504A 0 -16,-1.8 -16,-2.3 351,-0.2 2,-0.3 -0.997 25.1-122.2-148.1 149.5 24.6 15.3 59.5 154 154 A F E +E 136 0A 10 349,-2.3 2,-0.3 -2,-0.3 -113,-0.2 -0.678 37.1 176.7 -87.3 144.2 25.4 16.1 55.9 155 155 A A - 0 0 1 -20,-0.8 -113,-0.1 -2,-0.3 3,-0.1 -0.972 28.6-166.8-145.8 159.0 24.9 13.2 53.5 156 156 A N S S+ 0 0 0 -115,-2.2 34,-2.8 1,-0.3 2,-0.4 0.727 75.9 16.5-113.2 -43.9 25.1 12.6 49.8 157 157 A L E -dg 42 190A 0 -116,-2.3 -114,-3.1 32,-0.2 2,-0.5 -0.996 49.7-171.8-141.2 136.9 23.4 9.3 49.2 158 158 A I E -dg 43 191A 0 32,-2.3 34,-1.9 -2,-0.4 2,-0.6 -0.987 14.6-160.0-126.1 117.6 21.0 7.1 51.2 159 159 A I E -dg 44 192A 0 -116,-3.1 -114,-3.3 -2,-0.5 34,-0.2 -0.887 11.0-175.4-103.7 119.0 20.2 3.6 49.6 160 160 A F E -dg 45 193A 0 32,-3.6 34,-2.0 -2,-0.6 -112,-0.2 -0.536 31.3-100.0-101.7 172.9 17.1 1.8 50.8 161 161 A G - 0 0 0 -114,-2.9 -112,-0.3 -116,-0.7 34,-0.2 -0.220 64.9 -60.2 -78.4-178.7 15.8 -1.6 49.9 162 162 A P - 0 0 2 0, 0.0 -113,-1.4 0, 0.0 -1,-0.2 -0.124 42.7-132.1 -67.6 159.7 13.1 -1.9 47.2 163 163 A G - 0 0 1 2,-0.5 -113,-0.1 5,-0.3 5,-0.1 0.060 64.6 -52.9 -86.3-155.8 9.7 -0.4 47.1 164 164 A P S S+ 0 0 2 0, 0.0 2,-0.8 0, 0.0 -90,-0.6 0.882 131.4 60.1 -50.7 -43.6 6.6 -2.6 46.2 165 165 A V B > S-K 73 0D 5 1,-0.2 3,-1.6 3,-0.1 -2,-0.5 -0.792 71.5-160.4 -94.4 109.7 8.3 -3.7 43.0 166 166 A L T 3 S+ 0 0 0 -94,-1.8 -1,-0.2 -2,-0.8 32,-0.1 0.885 89.1 46.4 -53.4 -47.2 11.5 -5.5 43.6 167 167 A N T 3 S+ 0 0 27 -95,-0.3 2,-0.9 1,-0.2 -1,-0.3 0.356 88.5 93.0 -83.2 8.0 12.9 -5.1 40.1 168 168 A E < - 0 0 41 -3,-1.6 -5,-0.3 -96,-0.2 -1,-0.2 -0.620 57.4-176.8-102.6 76.1 12.1 -1.4 39.8 169 169 A N + 0 0 35 -2,-0.9 2,-0.3 26,-0.1 25,-0.2 -0.397 9.3 173.3 -68.5 145.3 15.3 0.4 41.0 170 170 A E E -H 193 0A 75 23,-1.8 23,-2.3 -2,-0.1 2,-0.4 -0.992 30.4-140.3-158.1 148.8 15.1 4.2 41.1 171 171 A T E -H 192 0A 18 -2,-0.3 2,-0.4 21,-0.2 21,-0.3 -0.922 24.0-162.6-110.1 133.6 17.0 7.2 42.2 172 172 A I E -H 191 0A 8 19,-3.3 19,-2.3 -2,-0.4 2,-0.2 -0.964 4.5-156.2-122.9 134.6 15.0 10.1 43.9 173 173 A D - 0 0 18 -2,-0.4 2,-0.6 17,-0.2 17,-0.1 -0.640 27.6-104.7-103.5 164.6 15.9 13.7 44.4 174 174 A I - 0 0 4 15,-0.4 7,-0.8 -2,-0.2 2,-0.4 -0.800 29.4-166.1 -98.3 122.9 14.5 16.1 47.0 175 175 A G E -MN 180 514F 1 -2,-0.6 339,-2.7 339,-0.5 2,-0.4 -0.860 4.4-175.1-105.8 137.5 12.0 18.7 46.1 176 176 A I E > S-M 179 0F 5 3,-2.9 3,-1.6 -2,-0.4 337,-0.1 -0.998 72.3 -8.1-132.7 127.6 11.1 21.6 48.4 177 177 A Q T 3 S- 0 0 108 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.913 130.0 -54.0 52.1 48.3 8.4 24.1 47.6 178 178 A N T 3 S+ 0 0 132 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.492 119.5 101.2 69.7 3.8 8.0 22.8 44.0 179 179 A H E < -M 176 0F 80 -3,-1.6 -3,-2.9 5,-0.0 2,-0.6 -0.943 60.4-143.9-125.1 146.6 11.7 23.2 43.2 180 180 A F E > -M 175 0F 59 -2,-0.4 3,-2.0 -5,-0.2 4,-0.3 -0.918 3.5-161.7-112.0 115.5 14.6 20.7 43.1 181 181 A A G > >S+ 0 0 5 -7,-0.8 6,-2.1 -2,-0.6 3,-1.5 0.856 94.3 62.4 -58.6 -36.3 18.1 21.7 44.3 182 182 A S G 3 5S+ 0 0 2 -8,-0.4 60,-1.8 1,-0.3 -1,-0.3 0.532 105.3 47.3 -68.9 -4.9 19.5 18.7 42.4 183 183 A R G < 5S+ 0 0 63 -3,-2.0 -1,-0.3 58,-0.2 61,-0.2 0.352 108.1 54.6-116.2 4.0 18.2 20.3 39.1 184 184 A E T < 5S- 0 0 34 -3,-1.5 57,-0.1 -4,-0.3 -2,-0.1 0.009 118.4 -89.7-129.1 30.1 19.4 23.8 39.7 185 185 A G T 5S+ 0 0 0 55,-2.2 -3,-0.1 -3,-0.1 56,-0.1 0.154 108.8 86.8 88.1 -21.0 23.2 23.5 40.3 186 186 A F S S- 0 0 11 -2,-0.6 3,-0.5 1,-0.3 -2,-0.0 -0.420 88.5 -40.7 -63.1 89.9 21.6 -16.3 23.0 210 210 A G T 3 S- 0 0 53 -2,-1.5 -1,-0.3 1,-0.2 7,-0.0 0.530 96.7 -96.7 63.5 5.1 23.6 -19.5 22.4 211 211 A A T 3 S+ 0 0 36 1,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.966 81.9 137.9 48.3 71.9 21.2 -19.9 19.5 212 212 A S X + 0 0 28 -3,-0.5 3,-0.9 3,-0.1 -1,-0.1 -0.690 29.8 179.2-149.3 90.5 18.6 -22.2 21.1 213 213 A I T 3 S+ 0 0 25 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 0.596 88.8 51.2 -66.5 -12.5 14.9 -21.5 20.5 214 214 A F T 3 S+ 0 0 81 2,-0.1 -1,-0.2 540,-0.1 2,-0.2 0.625 107.6 58.9 -99.2 -16.8 14.1 -24.5 22.7 215 215 A N S < S- 0 0 66 -3,-0.9 2,-0.1 1,-0.1 -3,-0.1 -0.446 107.3 -68.0-102.0 178.3 16.2 -23.5 25.6 216 216 A R - 0 0 93 197,-0.2 2,-0.3 -2,-0.2 198,-0.2 -0.437 54.4-152.3 -68.4 139.7 16.0 -20.3 27.7 217 217 A R + 0 0 74 196,-0.1 2,-0.1 -2,-0.1 -7,-0.1 -0.813 44.3 35.5-115.9 157.9 17.0 -17.2 25.8 218 218 A G S S- 0 0 0 -2,-0.3 195,-2.0 -14,-0.1 196,-0.4 -0.410 72.1 -90.9 101.2-179.5 18.5 -13.9 26.9 219 219 A Y E -QR 202 412H 16 -17,-3.1 -17,-2.3 193,-0.2 2,-0.3 -0.954 26.5-129.2-135.0 150.7 21.0 -12.8 29.5 220 220 A F E -Q 201 0H 0 191,-2.3 -19,-0.2 -2,-0.3 147,-0.2 -0.759 32.4-104.3-102.2 152.7 20.6 -11.6 33.1 221 221 A S - 0 0 8 -21,-2.3 -22,-0.1 -2,-0.3 147,-0.1 -0.371 20.0-119.7 -77.6 151.5 22.1 -8.4 34.4 222 222 A D >> - 0 0 0 145,-0.4 4,-1.8 1,-0.1 3,-1.5 -0.797 22.1-144.0 -86.9 116.1 25.1 -7.9 36.7 223 223 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.740 98.0 62.5 -54.9 -23.7 23.6 -6.1 39.8 224 224 A A H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.839 104.9 46.1 -70.8 -33.2 26.9 -4.1 40.1 225 225 A L H <> S+ 0 0 5 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.887 110.9 52.5 -74.3 -39.0 26.2 -2.5 36.7 226 226 A I H X S+ 0 0 20 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.931 111.6 47.5 -60.5 -43.8 22.5 -1.9 37.7 227 227 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.936 110.5 50.5 -63.2 -45.8 23.9 -0.2 40.8 228 228 A M H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.822 105.4 58.1 -63.5 -28.6 26.4 1.9 38.9 229 229 A H H X S+ 0 0 31 -4,-2.1 4,-1.2 1,-0.2 3,-0.3 0.941 110.4 42.4 -64.8 -47.2 23.5 2.9 36.5 230 230 A E H X S+ 0 0 18 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.866 109.2 58.8 -66.4 -36.4 21.6 4.4 39.5 231 231 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.819 100.1 57.4 -63.8 -29.1 24.9 5.9 40.9 232 232 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.915 106.2 49.0 -66.6 -39.8 25.2 7.8 37.7 233 233 A H H X S+ 0 0 21 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.897 111.1 50.8 -63.6 -39.7 21.8 9.3 38.4 234 234 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.943 107.9 52.6 -60.6 -49.0 23.0 10.1 41.9 235 235 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.925 109.8 48.0 -52.9 -50.0 26.1 11.8 40.5 236 236 A H H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-0.6 0.901 112.7 49.0 -60.1 -41.6 24.0 14.0 38.2 237 237 A G H ><5S+ 0 0 0 -4,-2.2 -49,-0.6 3,-0.2 3,-0.5 0.809 109.2 52.6 -68.7 -30.3 21.7 14.9 41.1 238 238 A L H 3<5S+ 0 0 0 -4,-2.3 -121,-0.2 -51,-0.2 -1,-0.2 0.855 110.1 46.4 -74.6 -34.9 24.7 15.7 43.4 239 239 A Y T 3<5S- 0 0 7 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.358 113.7-121.2 -87.3 7.9 26.3 18.1 40.9 240 240 A G T < 5S+ 0 0 0 -3,-0.5 -55,-2.2 -5,-0.2 -3,-0.2 0.793 80.1 118.5 59.2 32.8 22.8 19.6 40.4 241 241 A I < + 0 0 1 -5,-2.5 2,-1.5 -6,-0.2 -4,-0.2 0.201 28.1 111.3-112.8 15.8 22.8 18.9 36.7 242 242 A K + 0 0 21 -60,-1.8 -1,-0.1 -6,-0.6 -5,-0.1 -0.205 54.2 169.3 -81.9 48.4 19.7 16.6 36.6 243 243 A V - 0 0 9 -2,-1.5 23,-0.4 44,-0.1 2,-0.3 -0.165 32.1-127.0 -65.0 153.1 17.9 19.4 34.7 244 244 A D + 0 0 73 -61,-0.2 2,-0.2 21,-0.1 -1,-0.1 -0.764 40.4 147.2 -99.4 146.9 14.6 19.0 33.0 245 245 A D - 0 0 23 -2,-0.3 38,-0.0 45,-0.0 20,-0.0 -0.807 58.4 -24.8-156.3-166.0 14.1 19.9 29.4 246 246 A L S S- 0 0 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4,-2.5 1,-0.2 -1,-0.3 0.832 99.4 53.3 -53.4 -36.6 19.3 12.9 31.3 267 267 A E H <> S+ 0 0 55 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.917 110.6 46.0 -67.0 -42.3 17.9 9.3 31.4 268 268 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 -2,-0.2 0.862 111.6 51.8 -68.6 -35.7 19.1 8.7 27.8 269 269 A Y H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.957 106.7 54.6 -63.1 -49.0 22.5 10.3 28.6 270 270 A T H < S+ 0 0 0 -4,-2.5 87,-2.8 1,-0.2 88,-0.2 0.855 111.8 43.9 -52.0 -41.0 22.9 8.0 31.6 271 271 A F H < S- 0 0 2 -4,-1.6 87,-2.0 85,-0.2 -1,-0.2 0.919 92.7-179.2 -73.3 -44.7 22.3 4.9 29.5 272 272 A G >< + 0 0 2 -4,-2.4 3,-1.3 85,-0.2 100,-0.2 -0.396 36.4 93.6 80.9-155.8 24.5 6.1 26.6 273 273 A G T 3 S- 0 0 23 1,-0.3 569,-0.3 2,-0.1 4,-0.2 -0.499 112.2 -21.1 68.0-129.9 25.2 4.1 23.5 274 274 A Q T > S+ 0 0 22 96,-0.5 3,-1.9 -2,-0.2 4,-0.4 0.694 120.0 86.7 -86.0 -20.2 22.8 5.2 20.7 275 275 A D G X S+ 0 0 0 -3,-1.3 3,-1.9 1,-0.3 4,-0.4 0.827 80.0 60.7 -50.6 -40.2 20.2 6.7 23.1 276 276 A P G > S+ 0 0 7 0, 0.0 3,-1.5 0, 0.0 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0.904 110.4 44.3 -64.4 -41.7 19.6 23.8 25.5 287 287 A I H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.913 111.5 53.0 -68.4 -44.3 20.6 21.5 28.4 288 288 A Y H X S+ 0 0 28 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.930 110.5 48.1 -56.0 -48.1 24.2 22.5 28.3 289 289 A D H X S+ 0 0 95 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.875 110.1 51.7 -62.7 -39.6 23.2 26.2 28.5 290 290 A K H X S+ 0 0 85 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.900 112.7 44.7 -64.6 -41.9 20.8 25.5 31.4 291 291 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.933 113.1 51.0 -68.3 -44.8 23.5 23.7 33.4 292 292 A L H X S+ 0 0 21 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.915 110.5 49.6 -58.2 -42.5 26.1 26.4 32.6 293 293 A Q H X S+ 0 0 109 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.897 108.7 52.8 -64.7 -38.6 23.6 29.1 33.7 294 294 A N H X S+ 0 0 41 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.918 108.6 50.3 -62.1 -41.3 23.1 27.1 36.9 295 295 A F H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.821 103.4 59.4 -66.6 -31.1 26.8 27.1 37.5 296 296 A R H X S+ 0 0 114 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.884 104.6 51.4 -64.6 -36.5 27.0 30.8 37.0 297 297 A G H X S+ 0 0 34 -4,-1.5 4,-1.9 -3,-0.2 -1,-0.2 0.888 110.7 47.2 -66.6 -39.0 24.6 31.2 39.8 298 298 A I H X S+ 0 0 1 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.902 110.1 51.8 -69.7 -41.0 26.8 29.1 42.1 299 299 A V H X S+ 0 0 15 -4,-2.7 4,-1.2 1,-0.2 38,-0.2 0.844 109.3 51.3 -65.1 -30.8 30.0 30.8 41.2 300 300 A D H X S+ 0 0 54 -4,-1.6 4,-0.8 -5,-0.2 3,-0.3 0.918 108.6 51.7 -70.1 -43.5 28.3 34.2 42.0 301 301 A R H >X S+ 0 0 14 -4,-1.9 4,-2.6 1,-0.2 3,-1.2 0.911 105.4 54.7 -58.7 -44.9 27.2 32.8 45.4 302 302 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.8 50.6 -60.1 -31.6 30.8 31.7 46.2 303 303 A N H 3< S+ 0 0 46 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.656 120.6 34.9 -79.2 -14.4 31.9 35.2 45.5 304 304 A K H << S+ 0 0 86 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.569 82.5 119.1-115.0 -13.1 29.3 36.6 47.9 305 305 A V < + 0 0 7 -4,-2.6 -178,-0.2 1,-0.2 -179,-0.2 -0.325 23.4 156.3 -59.1 132.0 29.0 34.0 50.6 306 306 A L + 0 0 133 -180,-3.2 2,-0.3 1,-0.3 -179,-0.2 0.622 55.5 9.9-126.4 -35.8 29.8 35.6 54.0 307 307 A V E -l 127 0E 67 -181,-1.7 -179,-1.6 9,-0.1 2,-0.5 -0.920 49.5-135.8-146.5 169.1 28.2 33.6 56.7 308 308 A C E -l 128 0E 7 -2,-0.3 6,-0.2 -181,-0.2 -179,-0.2 -0.944 19.0-177.5-128.3 105.2 26.3 30.4 57.7 309 309 A I S S+ 0 0 93 -181,-0.7 -180,-0.1 -2,-0.5 -1,-0.1 0.868 78.6 55.5 -72.1 -37.4 23.4 31.3 60.0 310 310 A S S S+ 0 0 23 -182,-0.6 -1,-0.2 1,-0.2 -181,-0.1 0.816 118.1 27.2 -66.9 -35.4 22.2 27.7 60.6 311 311 A D > - 0 0 4 -183,-0.2 3,-2.5 1,-0.1 -1,-0.2 -0.798 58.9-170.1-136.9 95.4 25.5 26.3 61.8 312 312 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.684 88.0 64.7 -53.1 -20.3 28.0 28.7 63.5 313 313 A N T 3 S+ 0 0 141 -3,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.524 72.5 113.7 -85.0 -5.7 30.5 25.9 63.4 314 314 A I < - 0 0 18 -3,-2.5 2,-0.9 -6,-0.2 -6,-0.1 -0.506 65.0-137.4 -69.2 127.9 30.7 25.8 59.6 315 315 A N > - 0 0 84 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 -0.790 12.5-158.8 -89.2 105.6 34.2 26.9 58.3 316 316 A I H > S+ 0 0 34 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.852 87.2 50.7 -51.0 -45.8 33.4 29.2 55.3 317 317 A N H > S+ 0 0 99 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.915 105.9 54.9 -62.7 -44.9 36.8 28.9 53.7 318 318 A I H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 113.3 42.8 -55.4 -44.6 36.8 25.1 53.8 319 319 A Y H X S+ 0 0 7 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.892 112.0 52.1 -71.4 -40.4 33.5 24.9 52.0 320 320 A K H X S+ 0 0 45 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 112.1 47.9 -61.2 -42.7 34.4 27.6 49.5 321 321 A N H X S+ 0 0 66 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.915 113.7 47.7 -62.9 -42.2 37.5 25.7 48.7 322 322 A K H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.923 112.5 47.0 -66.2 -44.9 35.5 22.5 48.4 323 323 A F H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 6,-0.3 0.852 107.5 57.6 -67.2 -32.3 32.8 24.0 46.1 324 324 A K H <>S+ 0 0 57 -4,-2.2 5,-2.0 -5,-0.3 4,-0.4 0.915 112.1 41.8 -62.0 -41.9 35.5 25.6 43.9 325 325 A D H <5S+ 0 0 28 -4,-1.6 3,-0.4 3,-0.2 -2,-0.2 0.891 110.5 56.8 -72.7 -40.0 36.9 22.1 43.3 326 326 A K H <5S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.958 118.8 31.0 -55.0 -54.6 33.5 20.4 42.9 327 327 A Y T <5S- 0 0 2 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.426 107.3-124.3 -87.0 1.8 32.4 22.7 40.1 328 328 A K T 5 + 0 0 44 -3,-0.4 12,-0.4 -4,-0.4 -3,-0.2 0.876 48.9 167.1 56.6 41.8 36.0 23.2 38.8 329 329 A F < - 0 0 10 -5,-2.0 2,-0.3 -6,-0.3 10,-0.2 -0.409 33.0-121.5 -78.2 161.0 35.8 27.0 39.0 330 330 A V E -V 338 0L 53 8,-2.5 8,-1.7 -2,-0.1 2,-0.4 -0.783 19.5-150.1-105.0 153.7 39.1 28.9 38.7 331 331 A E E -V 337 0L 75 -2,-0.3 6,-0.2 6,-0.2 -7,-0.0 -0.980 7.4-143.6-128.6 124.3 40.4 31.3 41.5 332 332 A D > - 0 0 73 4,-2.2 3,-2.2 -2,-0.4 6,-0.0 -0.135 41.0 -85.3 -77.3 177.8 42.5 34.3 40.9 333 333 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.669 129.1 46.3 -56.5 -19.3 45.3 35.7 43.1 334 334 A E T 3 S- 0 0 172 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.263 123.6 -96.5-110.0 11.2 42.8 37.5 45.3 335 335 A G S < S+ 0 0 24 -3,-2.2 2,-0.6 1,-0.3 -2,-0.1 0.621 70.8 150.9 87.0 13.6 40.2 34.7 45.7 336 336 A K - 0 0 115 1,-0.0 -4,-2.2 -33,-0.0 2,-0.3 -0.700 34.1-147.2 -83.8 121.5 37.8 35.8 42.9 337 337 A Y E +V 331 0L 10 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.636 24.5 163.1 -90.4 145.7 36.0 32.8 41.5 338 338 A S E -V 330 0L 60 -8,-1.7 -8,-2.5 -2,-0.3 2,-0.4 -0.965 40.7 -94.8-152.4 163.8 35.0 32.5 37.8 339 339 A I - 0 0 40 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.1 -0.704 27.7-151.5 -86.9 133.3 33.8 29.9 35.3 340 340 A D > - 0 0 53 -2,-0.4 4,-3.1 -12,-0.4 5,-0.3 -0.932 5.5-152.2-106.3 109.3 36.6 28.5 33.1 341 341 A V H > S+ 0 0 92 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.862 94.3 49.6 -48.5 -44.7 34.9 27.4 29.8 342 342 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 114.2 43.0 -62.7 -50.1 37.5 24.7 29.2 343 343 A S H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.908 115.4 49.7 -64.4 -41.7 37.2 23.1 32.6 344 344 A F H X S+ 0 0 6 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.937 109.6 51.2 -61.9 -46.8 33.4 23.4 32.6 345 345 A D H X S+ 0 0 47 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.907 112.8 46.1 -58.1 -42.6 33.2 21.8 29.2 346 346 A K H X S+ 0 0 86 -4,-2.1 4,-1.8 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15.7 537 539 A Y H < S+ 0 0 26 -4,-2.6 4,-0.4 88,-0.4 -2,-0.2 0.923 111.9 46.1 -60.9 -42.6 -1.6 -12.5 13.0 538 540 A L H >< S+ 0 0 19 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.2 0.934 111.6 53.5 -64.2 -42.0 0.9 -13.5 15.7 539 541 A Y H >< S+ 0 0 100 -4,-2.0 3,-1.7 1,-0.3 -2,-0.2 0.845 99.9 60.2 -60.9 -36.8 -2.0 -14.6 17.9 540 542 A S T 3< S+ 0 0 3 -4,-2.3 27,-2.6 1,-0.3 -1,-0.3 0.577 96.6 64.0 -69.0 -9.0 -3.5 -16.9 15.1 541 543 A Q T < S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-0.4 2,-0.2 0.307 94.5 76.2 -97.1 7.6 -0.2 -18.8 15.2 542 544 A T < - 0 0 43 -3,-1.7 25,-0.2 23,-0.1 23,-0.1 -0.610 60.4-157.2-111.8 172.6 -0.7 -20.0 18.7 543 545 A F - 0 0 51 -2,-0.2 21,-0.1 23,-0.1 20,-0.1 -0.983 29.9 -91.4-148.3 152.3 -2.8 -22.7 20.4 544 546 A P > - 0 0 59 0, 0.0 3,-1.5 0, 0.0 0, 0.0 -0.248 30.6-120.4 -64.3 153.1 -4.2 -23.2 24.0 545 547 A L T 3 S+ 0 0 184 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.782 111.0 58.6 -64.1 -28.7 -2.3 -25.3 26.5 546 548 A D T 3 S+ 0 0 135 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.378 93.6 81.8 -84.9 6.1 -5.1 -27.8 26.9 547 549 A I < + 0 0 44 -3,-1.5 3,-0.1 1,-0.1 -4,-0.1 -0.921 41.8 163.3-112.2 134.4 -5.0 -28.7 23.2 548 550 A R + 0 0 168 -2,-0.4 2,-0.7 1,-0.2 185,-0.2 0.510 60.0 71.9-125.6 -10.1 -2.5 -31.2 21.8 549 551 A D + 0 0 68 184,-0.1 2,-0.3 185,-0.0 -1,-0.2 -0.898 62.3 157.4-112.3 104.2 -3.9 -32.1 18.4 550 552 A I - 0 0 2 -2,-0.7 2,-0.3 176,-0.1 15,-0.2 -0.809 26.9-154.5-123.5 165.7 -3.6 -29.2 15.9 551 553 A S E -a 565 0P 23 13,-1.9 15,-2.7 -2,-0.3 2,-0.2 -0.977 23.0-120.4-136.0 146.3 -3.5 -28.8 12.1 552 554 A L E -a 566 0P 1 -2,-0.3 2,-0.3 23,-0.3 15,-0.2 -0.560 30.7-177.9 -87.1 155.5 -1.9 -26.0 10.1 553 555 A T E -a 567 0P 16 13,-2.0 15,-2.2 -2,-0.2 6,-0.0 -0.992 35.0-144.3-151.2 151.4 -3.8 -23.8 7.8 554 556 A S S S+ 0 0 82 -2,-0.3 2,-0.9 13,-0.2 3,-0.1 0.360 79.2 99.8 -94.3 1.6 -3.1 -20.9 5.4 555 557 A S > - 0 0 34 1,-0.2 4,-2.2 11,-0.1 5,-0.2 -0.800 53.3-171.1 -95.3 106.0 -6.5 -19.4 6.4 556 558 A F H > S+ 0 0 13 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.910 87.5 52.5 -57.8 -44.8 -5.9 -16.7 8.9 557 559 A D H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 109.6 47.1 -62.1 -40.4 -9.6 -16.4 9.6 558 560 A D H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.878 108.0 57.2 -68.7 -37.0 -10.1 -20.2 10.3 559 561 A A H < S+ 0 0 9 -4,-2.2 6,-0.3 1,-0.2 -2,-0.2 0.883 108.2 47.1 -60.8 -38.7 -7.0 -20.1 12.6 560 562 A L H < S+ 0 0 52 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.904 115.3 46.3 -68.5 -41.0 -8.8 -17.4 14.7 561 563 A L H < S+ 0 0 124 -4,-1.8 2,-0.5 -5,-0.2 -2,-0.2 0.877 109.2 52.4 -71.3 -41.8 -12.0 -19.4 14.7 562 564 A F >< - 0 0 92 -4,-2.9 3,-2.0 1,-0.1 -1,-0.1 -0.876 62.1-154.0-108.5 125.5 -10.8 -22.9 15.6 563 565 A S T 3 S+ 0 0 68 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.744 99.7 54.4 -62.6 -23.4 -8.6 -23.6 18.6 564 566 A N T 3 S+ 0 0 69 -14,-0.1 -13,-1.9 -21,-0.1 2,-0.5 0.350 95.1 81.6 -93.1 5.9 -7.3 -26.7 16.7 565 567 A K E < -a 551 0P 51 -3,-2.0 2,-0.5 -6,-0.3 -13,-0.2 -0.951 61.1-167.0-114.1 127.4 -6.3 -24.7 13.6 566 568 A V E -a 552 0P 0 -15,-2.7 -13,-2.0 -2,-0.5 -25,-0.2 -0.956 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