==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUL-11 3ZUQ . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN TYPE B; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR G.MASUYER,P.STANCOMBE,J.A.CHADDOCK,K.R.ACHARYA . 849 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 8.4 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 1 1 4 2 3 0 0 1 3 0 0 0 2 0 1 0 0 0 0 0 2 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 1 1 2 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 0 PARALLEL BRIDGES PER LADDER . 7 7 4 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 1 0 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 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 M 0 0 132 0, 0.0 3,-0.1 0, 0.0 496,-0.1 0.000 360.0 360.0 360.0 144.3 31.7 -40.6 -6.7 2 2 A P - 0 0 102 0, 0.0 2,-0.1 0, 0.0 104,-0.0 -0.344 360.0 -90.6 -60.1 139.0 32.6 -37.2 -8.2 3 3 A V - 0 0 9 1,-0.1 2,-0.5 97,-0.1 107,-0.0 -0.299 40.7-154.1 -65.8 123.3 30.1 -36.0 -10.8 4 4 A T - 0 0 79 -2,-0.1 2,-0.5 -3,-0.1 37,-0.3 -0.842 1.6-155.3-101.0 128.6 30.9 -37.0 -14.4 5 5 A I - 0 0 12 -2,-0.5 35,-0.2 35,-0.1 2,-0.1 -0.911 17.5-138.6-103.1 123.9 29.7 -34.9 -17.3 6 6 A N - 0 0 31 33,-3.2 2,-0.4 -2,-0.5 31,-0.0 -0.380 7.8-140.0 -80.9 158.6 29.4 -36.8 -20.6 7 7 A N + 0 0 129 -2,-0.1 2,-0.3 2,-0.0 31,-0.1 -0.962 32.8 143.0-122.8 137.0 30.4 -35.6 -24.0 8 8 A F - 0 0 11 -2,-0.4 2,-0.3 29,-0.1 85,-0.1 -0.981 38.1-129.5-166.6 153.9 28.4 -36.1 -27.3 9 9 A N > - 0 0 81 -2,-0.3 3,-1.0 1,-0.1 77,-0.1 -0.796 30.4-120.0-104.6 154.9 27.4 -34.7 -30.6 10 10 A Y T 3 S+ 0 0 29 -2,-0.3 -1,-0.1 1,-0.2 73,-0.1 0.838 114.3 54.3 -61.2 -34.4 23.8 -34.7 -31.9 11 11 A N T 3 S+ 0 0 117 71,-0.1 -1,-0.2 72,-0.0 72,-0.0 0.610 80.4 118.6 -76.8 -14.2 24.8 -36.8 -34.9 12 12 A D S < S- 0 0 53 -3,-1.0 3,-0.1 1,-0.1 -4,-0.0 -0.267 70.9-105.6 -55.3 138.1 26.5 -39.5 -32.8 13 13 A P - 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.087 34.5 -90.4 -66.8 162.9 24.8 -42.9 -33.3 14 14 A I + 0 0 70 1,-0.1 6,-0.2 2,-0.1 129,-0.0 -0.629 40.4 174.3 -72.7 124.1 22.5 -44.7 -30.9 15 15 A D - 0 0 85 4,-1.1 5,-0.1 -2,-0.4 -1,-0.1 0.338 43.7-124.6-110.1 2.3 24.5 -46.9 -28.5 16 16 A N S S+ 0 0 40 3,-1.5 4,-0.2 1,-0.1 -2,-0.1 0.499 98.7 65.4 62.2 7.8 21.5 -48.0 -26.3 17 17 A N S S+ 0 0 87 2,-0.4 -1,-0.1 21,-0.0 3,-0.1 0.710 117.3 3.1-117.8 -75.2 23.6 -46.7 -23.4 18 18 A N S S+ 0 0 46 1,-0.2 20,-3.0 19,-0.1 2,-0.4 0.598 134.3 46.7 -94.7 -16.8 24.3 -42.9 -23.3 19 19 A I E S+A 37 0A 9 18,-0.2 -3,-1.5 -6,-0.0 -4,-1.1 -0.976 75.5 155.9-128.3 118.0 22.2 -42.2 -26.5 20 20 A I E -A 36 0A 0 16,-2.1 16,-3.3 -2,-0.4 2,-0.8 -0.902 49.0-113.0-135.8 160.8 18.8 -43.8 -26.7 21 21 A M E -AB 35 141A 52 120,-0.6 120,-2.5 -2,-0.3 2,-0.3 -0.900 49.8-165.4 -93.6 108.7 15.4 -43.3 -28.4 22 22 A M E -AB 34 140A 0 12,-3.4 12,-2.9 -2,-0.8 118,-0.2 -0.707 27.4-143.5-106.4 146.1 13.2 -42.5 -25.4 23 23 A E E - B 0 139A 11 116,-3.0 116,-0.9 -2,-0.3 10,-0.1 -0.874 31.5-144.6-104.5 96.6 9.4 -42.4 -24.8 24 24 A P > - 0 0 2 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.180 24.3-102.1 -64.6 154.3 8.9 -39.5 -22.4 25 25 A P G > S+ 0 0 12 0, 0.0 3,-1.0 0, 0.0 109,-0.1 0.797 120.6 48.5 -45.4 -44.2 6.2 -39.6 -19.7 26 26 A F G 3 S+ 0 0 8 1,-0.2 27,-0.1 2,-0.1 490,-0.1 0.438 88.3 83.8 -84.0 1.1 3.7 -37.4 -21.5 27 27 A A G X S- 0 0 1 -3,-2.5 3,-0.9 5,-0.1 -1,-0.2 0.718 84.5-151.4 -70.9 -23.1 4.1 -39.4 -24.7 28 28 A R T < - 0 0 119 -3,-1.0 484,-0.1 -4,-0.4 -2,-0.1 0.760 55.9 -66.7 62.0 31.8 1.5 -41.7 -23.2 29 29 A G T 3 S+ 0 0 29 -5,-0.3 -1,-0.2 3,-0.1 483,-0.1 0.889 93.0 140.3 54.9 44.4 2.8 -44.8 -25.0 30 30 A T S < S- 0 0 86 -3,-0.9 -1,-0.1 2,-0.2 3,-0.1 0.103 78.0 -99.3-102.5 19.2 1.7 -43.5 -28.4 31 31 A G S S+ 0 0 51 1,-0.3 2,-0.5 -8,-0.0 -3,-0.1 0.550 78.8 139.1 77.0 8.5 4.8 -44.8 -30.2 32 32 A R - 0 0 117 -5,-0.2 2,-0.4 -8,-0.1 -1,-0.3 -0.750 28.8-175.9 -86.4 128.6 6.6 -41.4 -30.2 33 33 A Y - 0 0 61 -2,-0.5 2,-0.4 -10,-0.1 -10,-0.2 -0.963 10.2-157.5-129.1 145.3 10.3 -41.6 -29.4 34 34 A Y E -A 22 0A 23 -12,-2.9 -12,-3.4 -2,-0.4 2,-0.7 -0.939 28.3-111.7-122.1 141.0 12.9 -38.9 -28.9 35 35 A K E -A 21 0A 33 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.627 44.4-169.5 -71.5 113.4 16.7 -39.0 -29.3 36 36 A A E -A 20 0A 0 -16,-3.3 -16,-2.1 -2,-0.7 2,-0.5 -0.909 13.0-154.8-115.7 136.3 17.9 -38.6 -25.7 37 37 A F E -AC 19 45A 0 8,-2.9 8,-3.2 -2,-0.4 2,-1.1 -0.927 16.4-133.6-114.2 126.9 21.4 -37.9 -24.5 38 38 A K E + C 0 44A 10 -20,-3.0 6,-0.2 -2,-0.5 -32,-0.1 -0.677 25.6 176.4 -80.7 100.8 22.6 -38.9 -21.0 39 39 A I E S- 0 0 0 -2,-1.1 -33,-3.2 4,-0.9 2,-0.3 0.892 73.3 -9.3 -72.6 -41.6 24.5 -35.8 -19.8 40 40 A T E > S- C 0 43A 1 3,-1.1 3,-1.6 -35,-0.2 -1,-0.2 -0.874 103.4 -60.7-140.0 173.5 25.1 -37.3 -16.4 41 41 A D T 3 S+ 0 0 66 -37,-0.3 3,-0.1 -2,-0.3 115,-0.1 -0.388 124.1 4.0 -58.3 130.7 23.8 -40.5 -14.7 42 42 A R T 3 S+ 0 0 6 113,-0.2 115,-2.8 1,-0.1 116,-2.3 0.369 112.4 99.4 74.3 -3.1 20.0 -40.3 -14.3 43 43 A I E < -Cd 40 158A 0 -3,-1.6 -3,-1.1 114,-0.2 -4,-0.9 -0.965 51.5-171.5-120.3 131.1 19.7 -37.0 -16.3 44 44 A W E -Cd 38 159A 0 114,-3.0 116,-3.6 -2,-0.4 2,-0.5 -0.957 13.9-150.2-126.5 136.9 18.8 -36.8 -19.9 45 45 A I E -Cd 37 160A 0 -8,-3.2 -8,-2.9 -2,-0.4 116,-0.2 -0.905 8.9-172.3-102.2 129.7 18.8 -34.0 -22.5 46 46 A I E - d 0 161A 0 114,-3.4 2,-2.8 -2,-0.5 116,-0.5 -0.937 16.0-150.0-119.3 105.0 16.3 -34.1 -25.3 47 47 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 114,-0.1 -0.347 59.9 108.9 -74.8 66.2 17.0 -31.3 -27.9 48 48 A E S S- 0 0 58 -2,-2.8 114,-2.7 -14,-0.0 -2,-0.1 -0.986 76.7 -95.0-143.0 147.7 13.4 -30.9 -28.9 49 49 A R - 0 0 23 -2,-0.3 2,-0.9 30,-0.3 115,-0.2 -0.379 42.6-113.5 -61.9 137.7 10.7 -28.3 -28.4 50 50 A Y + 0 0 0 113,-2.1 -1,-0.1 112,-0.3 144,-0.0 -0.667 49.8 159.6 -76.3 106.5 8.4 -29.1 -25.4 51 51 A T > + 0 0 57 -2,-0.9 3,-2.2 113,-0.1 -1,-0.2 0.632 24.1 121.3-106.2 -18.6 5.0 -29.8 -27.2 52 52 A F T 3 S+ 0 0 9 1,-0.3 3,-0.1 466,-0.0 -25,-0.1 -0.294 87.5 4.7 -61.7 119.7 3.1 -31.8 -24.5 53 53 A G T 3 S+ 0 0 24 1,-0.4 466,-2.0 -2,-0.1 -1,-0.3 0.334 114.8 98.2 89.5 -5.5 -0.2 -30.1 -23.6 54 54 A Y < - 0 0 24 -3,-2.2 -1,-0.4 464,-0.1 -3,-0.1 -0.414 66.8-128.0-102.5 179.6 0.3 -27.3 -26.2 55 55 A K > - 0 0 109 -2,-0.1 3,-1.1 -3,-0.1 4,-0.5 -0.920 25.0-116.9-124.1 154.2 -1.0 -26.7 -29.8 56 56 A P G > S+ 0 0 99 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.857 114.5 58.9 -59.0 -36.6 1.2 -25.9 -32.8 57 57 A E G > S+ 0 0 104 1,-0.2 3,-1.3 2,-0.2 -3,-0.0 0.729 92.7 69.6 -63.7 -23.6 -0.4 -22.5 -33.2 58 58 A D G < S+ 0 0 11 -3,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.755 83.6 69.8 -66.1 -26.5 0.7 -21.6 -29.7 59 59 A F G < S+ 0 0 19 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 0.565 90.2 76.6 -73.4 -8.3 4.4 -21.5 -30.8 60 60 A N S < S- 0 0 88 -3,-1.3 2,-0.4 -4,-0.2 15,-0.1 -0.786 93.4-105.2-101.6 147.5 3.6 -18.3 -32.8 61 61 A K + 0 0 88 -2,-0.3 2,-0.1 13,-0.1 4,-0.1 -0.582 52.9 158.1 -73.8 122.8 3.1 -14.8 -31.3 62 62 A S - 0 0 55 2,-0.5 -1,-0.1 -2,-0.4 -4,-0.0 -0.279 59.3 -74.4-121.8-152.6 -0.5 -13.8 -31.2 63 63 A S S S+ 0 0 102 -2,-0.1 461,-2.0 367,-0.1 2,-0.2 0.369 106.8 72.0 -92.2 2.4 -2.8 -11.4 -29.3 64 64 A G E -I 523 0B 4 459,-0.2 -2,-0.5 460,-0.1 2,-0.3 -0.737 61.8-152.7-119.1 164.8 -2.6 -13.7 -26.2 65 65 A I E -I 522 0B 0 457,-2.3 457,-2.5 -2,-0.2 3,-0.1 -0.869 15.9-146.2-127.7 163.5 -0.2 -14.8 -23.5 66 66 A F S S+ 0 0 19 -2,-0.3 2,-0.5 1,-0.3 454,-0.1 0.804 90.0 32.6 -92.5 -41.3 0.2 -17.8 -21.3 67 67 A N > - 0 0 41 3,-0.1 3,-0.9 1,-0.1 -1,-0.3 -0.971 59.9-154.8-128.3 122.5 1.5 -16.0 -18.2 68 68 A R T 3 S+ 0 0 59 -2,-0.5 364,-0.3 1,-0.2 381,-0.1 0.707 96.8 58.3 -61.7 -23.6 0.5 -12.5 -17.0 69 69 A D T 3 S+ 0 0 40 362,-0.1 2,-0.3 380,-0.1 -1,-0.2 0.823 95.9 75.9 -70.3 -36.2 3.9 -12.3 -15.2 70 70 A V S < S- 0 0 35 -3,-0.9 2,-1.1 1,-0.0 362,-0.4 -0.591 70.4-137.7-102.1 139.0 6.1 -12.8 -18.1 71 71 A C - 0 0 8 -2,-0.3 2,-0.5 307,-0.2 360,-0.2 -0.803 44.1-148.5 -81.0 98.1 7.3 -10.8 -21.1 72 72 A E E -J 430 0C 0 358,-2.2 358,-2.8 -2,-1.1 2,-0.5 -0.616 16.3-163.9 -88.8 121.2 6.9 -13.7 -23.5 73 73 A Y E -J 429 0C 24 -2,-0.5 94,-2.1 356,-0.2 95,-0.4 -0.878 8.9-158.2-102.0 131.4 9.2 -14.2 -26.5 74 74 A Y B +K 166 0D 4 354,-1.5 92,-0.1 -2,-0.5 -13,-0.1 -0.882 21.8 159.9-113.4 138.1 8.1 -16.5 -29.3 75 75 A D > - 0 0 29 90,-0.7 3,-0.8 -2,-0.4 -15,-0.1 -0.686 12.8-177.6-155.6 100.5 10.2 -18.3 -31.9 76 76 A P T 3 S+ 0 0 55 0, 0.0 -16,-0.1 0, 0.0 -27,-0.1 0.743 84.7 61.4 -68.3 -24.6 8.8 -21.4 -33.8 77 77 A D T > S+ 0 0 95 2,-0.1 3,-1.4 3,-0.0 2,-0.1 0.666 72.9 114.7 -78.5 -19.5 12.1 -21.8 -35.7 78 78 A Y T < S+ 0 0 18 -3,-0.8 -29,-0.1 1,-0.3 -3,-0.1 -0.371 89.7 6.9 -56.4 120.3 14.2 -22.3 -32.6 79 79 A L T 3 S+ 0 0 10 -2,-0.1 -1,-0.3 -31,-0.1 -30,-0.3 0.817 87.7 127.3 72.1 38.5 15.6 -25.9 -32.8 80 80 A N < + 0 0 81 -3,-1.4 2,-0.3 -32,-0.1 -2,-0.1 0.325 62.0 60.8-102.1 5.4 14.3 -26.8 -36.3 81 81 A T S > S- 0 0 66 -4,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.963 81.6-123.3-133.2 149.3 17.7 -27.9 -37.6 82 82 A N H > S+ 0 0 83 -2,-0.3 4,-1.1 1,-0.2 -72,-0.1 0.809 115.4 51.5 -55.7 -35.1 20.2 -30.7 -36.7 83 83 A D H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 106.9 52.0 -71.1 -41.3 22.9 -28.1 -36.2 84 84 A K H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.837 108.5 52.8 -61.7 -34.8 20.7 -26.0 -33.9 85 85 A K H X S+ 0 0 15 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.813 107.3 51.6 -69.8 -32.5 20.1 -29.1 -31.8 86 86 A N H X S+ 0 0 37 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.884 106.8 52.4 -72.4 -41.0 23.8 -29.7 -31.5 87 87 A I H X S+ 0 0 58 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.945 108.7 52.2 -54.8 -50.1 24.4 -26.1 -30.3 88 88 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.911 110.7 47.4 -51.5 -50.8 21.7 -26.8 -27.7 89 89 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.946 113.2 47.1 -57.1 -52.5 23.5 -30.0 -26.6 90 90 A Q H X S+ 0 0 50 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.853 112.8 49.6 -61.0 -38.2 26.9 -28.3 -26.4 91 91 A T H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.900 111.3 48.7 -67.3 -41.7 25.5 -25.3 -24.5 92 92 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.901 111.6 49.9 -64.3 -41.6 23.8 -27.6 -22.0 93 93 A I H X S+ 0 0 6 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.910 112.4 48.4 -59.1 -44.6 27.1 -29.6 -21.6 94 94 A K H X S+ 0 0 16 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.900 111.0 49.2 -64.8 -43.3 28.9 -26.3 -21.0 95 95 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.862 110.0 51.1 -64.4 -38.5 26.3 -25.0 -18.4 96 96 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.829 109.0 52.2 -68.0 -34.0 26.5 -28.3 -16.5 97 97 A N H < S+ 0 0 39 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.812 108.7 50.3 -68.2 -34.1 30.3 -28.0 -16.5 98 98 A R H >< S+ 0 0 0 -4,-1.6 3,-0.8 2,-0.2 4,-0.3 0.857 107.3 55.5 -69.6 -37.2 29.9 -24.5 -15.0 99 99 A I H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 6,-0.3 0.917 111.4 41.6 -61.4 -46.2 27.6 -25.8 -12.3 100 100 A K T 3< S+ 0 0 63 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.349 88.4 92.2 -88.5 7.7 30.1 -28.4 -11.1 101 101 A S T < S+ 0 0 33 -3,-0.8 -1,-0.2 293,-0.2 -2,-0.1 0.700 90.7 46.4 -71.3 -21.7 33.0 -26.0 -11.3 102 102 A K S X> S- 0 0 54 -3,-0.8 4,-1.6 -4,-0.3 3,-0.6 -0.955 90.3-122.1-119.8 145.0 32.3 -25.1 -7.6 103 103 A P H 3> S+ 0 0 76 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.867 107.5 60.8 -50.2 -46.4 31.6 -27.6 -4.8 104 104 A L H 3> S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -4,-0.1 0.888 109.0 42.1 -50.4 -47.9 28.2 -26.1 -3.9 105 105 A G H <> S+ 0 0 0 -3,-0.6 4,-2.0 -6,-0.3 -1,-0.2 0.801 110.5 57.0 -71.2 -31.1 26.8 -26.9 -7.4 106 106 A E H X S+ 0 0 56 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.901 105.8 51.0 -64.4 -42.3 28.5 -30.3 -7.5 107 107 A K H X S+ 0 0 10 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.899 107.8 52.9 -59.1 -43.3 26.6 -31.1 -4.3 108 108 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.910 112.9 44.3 -58.6 -44.6 23.3 -30.0 -6.0 109 109 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.900 111.7 50.5 -68.9 -44.0 24.0 -32.3 -8.9 110 110 A E H X S+ 0 0 24 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.852 111.0 50.5 -65.4 -32.4 25.1 -35.4 -6.9 111 111 A M H X S+ 0 0 4 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.841 111.5 47.8 -72.8 -35.3 22.0 -35.1 -4.8 112 112 A I H < S+ 0 0 0 -4,-1.5 3,-0.4 -5,-0.2 -2,-0.2 0.958 113.7 47.3 -64.6 -52.9 19.8 -34.9 -7.9 113 113 A I H < S+ 0 0 15 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.906 119.7 37.8 -55.1 -48.6 21.5 -37.9 -9.5 114 114 A N H < S+ 0 0 23 -4,-2.2 2,-2.1 -5,-0.2 -1,-0.2 0.583 91.5 92.2 -84.9 -11.9 21.4 -40.1 -6.3 115 115 A G < - 0 0 0 -4,-1.0 -1,-0.2 -3,-0.4 3,-0.1 -0.394 65.6-176.2 -81.2 61.3 17.9 -38.9 -5.2 116 116 A I - 0 0 6 -2,-2.1 41,-0.1 1,-0.1 3,-0.1 -0.310 31.1-102.8 -64.0 138.2 16.2 -41.7 -7.1 117 117 A P - 0 0 8 0, 0.0 71,-0.2 0, 0.0 -1,-0.1 -0.358 43.5 -99.2 -59.0 138.6 12.3 -41.7 -7.1 118 118 A Y - 0 0 0 69,-1.9 2,-3.1 121,-0.2 69,-0.1 -0.389 33.1-115.7 -59.6 134.7 10.8 -44.2 -4.7 119 119 A L S S+ 0 0 2 -3,-0.1 11,-3.0 -2,-0.1 2,-0.3 -0.321 88.4 46.7 -72.1 61.2 9.7 -47.3 -6.5 120 120 A G - 0 0 0 -2,-3.1 2,-0.2 9,-0.2 -2,-0.1 -0.989 63.6-136.0 178.0 177.7 6.0 -46.7 -5.7 121 121 A D - 0 0 2 -2,-0.3 3,-0.3 4,-0.1 -2,-0.0 -0.766 45.5 -91.6-141.5 177.3 3.0 -44.4 -5.4 122 122 A R S S+ 0 0 124 -2,-0.2 4,-0.1 1,-0.2 59,-0.0 0.810 127.4 55.1 -67.3 -29.7 0.3 -43.7 -2.9 123 123 A R S S+ 0 0 84 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.702 88.9 95.7 -74.2 -23.2 -1.8 -46.3 -4.7 124 124 A V S S- 0 0 7 -3,-0.3 6,-0.1 1,-0.1 -4,-0.0 -0.569 86.5-111.7 -71.5 127.8 1.0 -48.8 -4.2 125 125 A P > - 0 0 52 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.236 23.9-114.6 -58.8 150.1 0.5 -51.0 -1.1 126 126 A L T 3 S+ 0 0 59 1,-0.3 179,-0.3 -4,-0.1 -2,-0.1 0.735 113.3 55.2 -59.1 -26.2 2.9 -50.5 1.8 127 127 A E T 3 S+ 0 0 92 179,-0.1 180,-2.1 177,-0.1 181,-1.4 0.498 102.2 70.8 -87.4 -5.4 4.4 -54.0 1.4 128 128 A E E < -l 308 0E 48 -3,-1.7 2,-0.4 178,-0.2 181,-0.2 -0.817 61.3-145.9-122.0 149.9 5.3 -53.7 -2.3 129 129 A F E -l 309 0E 0 179,-1.7 181,-2.0 -2,-0.3 182,-0.6 -0.919 22.0-170.0-100.1 140.2 7.7 -52.0 -4.7 130 130 A N + 0 0 24 -11,-3.0 3,-0.1 -2,-0.4 -6,-0.1 -0.954 22.2 170.8-135.7 117.7 6.2 -51.1 -8.1 131 131 A T + 0 0 2 -2,-0.4 2,-0.5 1,-0.2 5,-0.1 0.286 61.2 95.7-101.7 7.1 8.3 -49.8 -11.0 132 132 A N + 0 0 39 -13,-0.1 2,-0.3 377,-0.1 379,-0.2 -0.235 64.5 98.2 -94.1 44.7 5.3 -50.1 -13.4 133 133 A I S >> S- 0 0 2 -2,-0.5 4,-2.6 -3,-0.1 3,-1.9 -0.976 78.0-122.3-134.8 149.1 4.3 -46.4 -13.1 134 134 A A T 34 S+ 0 0 2 379,-0.4 380,-0.1 -2,-0.3 56,-0.1 0.658 108.8 58.9 -65.1 -20.0 5.0 -43.3 -15.3 135 135 A S T 34 S+ 0 0 1 1,-0.1 55,-2.0 54,-0.1 -1,-0.3 0.434 118.8 29.2 -88.1 -0.3 6.7 -41.3 -12.4 136 136 A V T <4 S+ 0 0 2 -3,-1.9 20,-0.8 1,-0.3 2,-0.4 0.678 116.4 48.3-122.5 -47.6 9.4 -44.1 -12.0 137 137 A T E < - E 0 155A 2 -4,-2.6 2,-0.3 18,-0.2 -1,-0.3 -0.839 52.3-174.8-112.4 138.5 9.9 -45.8 -15.3 138 138 A V E - E 0 154A 3 16,-2.1 16,-2.9 -2,-0.4 2,-0.3 -0.968 24.7-124.5-126.0 144.3 10.5 -44.5 -18.8 139 139 A N E -BE 23 153A 1 -116,-0.9 -116,-3.0 -2,-0.3 2,-0.4 -0.695 17.9-164.8 -96.9 140.4 10.8 -46.7 -22.0 140 140 A K E -BE 22 152A 8 12,-3.1 12,-1.9 -2,-0.3 2,-0.5 -0.935 18.2-129.4-119.0 147.8 13.5 -47.0 -24.6 141 141 A L E -BE 21 151A 58 -120,-2.5 -120,-0.6 -2,-0.4 2,-0.5 -0.839 16.2-151.8 -98.3 123.2 13.4 -48.5 -28.0 142 142 A I - 0 0 39 8,-1.1 8,-0.4 -2,-0.5 2,-0.4 -0.818 11.0-173.6 -94.5 131.3 16.0 -51.1 -29.0 143 143 A S + 0 0 80 -2,-0.5 6,-0.1 6,-0.1 -129,-0.1 -0.784 26.6 133.7-131.0 87.2 16.9 -51.3 -32.7 144 144 A N - 0 0 103 4,-0.5 3,-0.2 -2,-0.4 -2,-0.0 -0.799 58.1 -67.0-127.1 167.0 19.3 -54.2 -33.5 145 145 A P S > S- 0 0 101 0, 0.0 2,-1.3 0, 0.0 3,-0.8 -0.056 79.7 -62.2 -46.7 157.3 19.7 -57.0 -36.1 146 146 A G T 3 S+ 0 0 87 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.247 113.4 75.0 -58.7 83.5 17.2 -60.0 -36.0 147 147 A E T 3 S+ 0 0 183 -2,-1.3 2,-0.4 1,-0.4 -1,-0.2 0.281 94.1 30.9-148.0 -57.3 17.7 -61.5 -32.5 148 148 A V < + 0 0 95 -3,-0.8 -4,-0.5 2,-0.0 -1,-0.4 -0.946 59.9 170.1-115.6 134.6 16.1 -59.3 -29.9 149 149 A E + 0 0 181 -2,-0.4 2,-0.3 -3,-0.1 -6,-0.1 -0.937 31.3 80.9-146.8 122.2 13.0 -57.1 -30.4 150 150 A R S S- 0 0 182 -8,-0.4 -8,-1.1 -2,-0.3 2,-0.3 -0.966 70.7 -78.5 175.9-175.8 11.0 -55.3 -27.7 151 151 A K E -E 141 0A 60 -2,-0.3 2,-0.3 -10,-0.2 357,-0.2 -0.683 39.2-154.7 -98.3 167.6 10.9 -52.2 -25.5 152 152 A K E -E 140 0A 86 -12,-1.9 -12,-3.1 -2,-0.3 2,-0.3 -0.986 9.5-129.3-145.6 139.8 13.1 -51.8 -22.4 153 153 A G E -EF 139 506A 0 353,-1.5 353,-2.8 -2,-0.3 2,-0.3 -0.652 21.7-175.3 -89.9 140.5 12.6 -49.8 -19.2 154 154 A I E -EF 138 505A 0 -16,-2.9 -16,-2.1 -2,-0.3 2,-0.3 -0.966 24.9-121.1-127.6 151.3 15.1 -47.5 -17.6 155 155 A F E +E 137 0A 11 349,-1.7 2,-0.3 -2,-0.3 -113,-0.2 -0.715 35.8 176.4 -84.7 140.0 15.1 -45.5 -14.4 156 156 A A - 0 0 1 -20,-0.8 -113,-0.2 -2,-0.3 3,-0.1 -0.970 27.2-168.9-141.9 155.6 15.6 -41.7 -14.8 157 157 A N S S+ 0 0 0 -115,-2.8 34,-2.6 1,-0.3 2,-0.4 0.721 77.0 18.7-110.6 -39.3 15.6 -38.7 -12.5 158 158 A L E -dg 43 191A 0 -116,-2.3 -114,-3.0 32,-0.2 2,-0.5 -0.990 52.2-170.3-143.2 129.3 15.5 -35.7 -14.8 159 159 A I E -dg 44 192A 0 32,-2.2 34,-2.0 -2,-0.4 2,-0.6 -0.978 15.8-158.6-118.9 118.2 14.6 -35.3 -18.5 160 160 A I E -dg 45 193A 0 -116,-3.6 -114,-3.4 -2,-0.5 34,-0.2 -0.870 12.1-177.4-105.1 118.7 15.4 -31.8 -19.9 161 161 A F E -dg 46 194A 0 32,-4.3 34,-1.6 -2,-0.6 -112,-0.2 -0.486 31.2 -98.9 -99.6 173.1 13.6 -30.6 -23.0 162 162 A G - 0 0 0 -114,-2.7 -112,-0.3 -116,-0.5 34,-0.2 -0.238 63.3 -64.6 -75.2 179.9 14.0 -27.5 -25.1 163 163 A P - 0 0 2 0, 0.0 -113,-2.1 0, 0.0 -1,-0.2 -0.135 42.6-130.2 -67.2 162.2 11.5 -24.6 -24.5 164 164 A G - 0 0 0 2,-0.6 -113,-0.1 5,-0.3 5,-0.1 0.101 64.2 -54.3 -80.8-152.8 7.8 -24.6 -25.1 165 165 A P S S+ 0 0 0 0, 0.0 2,-0.7 0, 0.0 -90,-0.7 0.878 132.7 62.1 -55.5 -39.9 6.1 -21.9 -27.1 166 166 A V B > S-K 74 0D 0 1,-0.2 3,-1.3 -92,-0.1 -2,-0.6 -0.814 73.0-162.1 -94.6 110.0 7.7 -19.2 -24.8 167 167 A L T 3 S+ 0 0 0 -94,-2.1 32,-0.2 -2,-0.7 -1,-0.2 0.861 86.9 45.2 -60.8 -41.1 11.5 -19.5 -25.1 168 168 A N T 3 S+ 0 0 25 -95,-0.4 2,-0.9 1,-0.1 -1,-0.3 0.238 86.5 97.5 -93.6 13.4 12.3 -17.6 -21.9 169 169 A E < - 0 0 22 -3,-1.3 2,-0.4 -96,-0.2 -5,-0.3 -0.704 56.9-172.6-100.9 79.4 9.7 -19.4 -19.7 170 170 A N + 0 0 27 -2,-0.9 2,-0.3 26,-0.1 25,-0.2 -0.593 11.3 174.9 -73.9 127.5 11.9 -22.1 -18.0 171 171 A E E -H 194 0A 62 23,-1.5 23,-2.3 -2,-0.4 2,-0.5 -0.985 29.1-144.8-138.5 146.1 9.7 -24.5 -16.0 172 172 A T E -H 193 0A 10 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.955 24.3-159.5-109.3 128.2 10.2 -27.7 -14.0 173 173 A I E -H 192 0A 5 19,-2.6 19,-2.7 -2,-0.5 2,-0.3 -0.891 6.1-155.1-115.0 136.2 7.2 -30.1 -14.3 174 174 A D - 0 0 13 -2,-0.4 2,-0.5 17,-0.2 17,-0.1 -0.739 27.0-108.4-103.2 158.6 6.2 -33.0 -12.0 175 175 A I - 0 0 5 15,-0.4 7,-0.8 -2,-0.3 2,-0.5 -0.748 27.9-157.9 -94.0 126.4 4.2 -36.0 -13.0 176 176 A G E -MN 181 515F 1 339,-0.7 339,-3.6 -2,-0.5 2,-0.4 -0.885 9.2-176.4-105.3 130.9 0.6 -36.4 -11.8 177 177 A I E > S-M 180 0F 7 3,-2.5 3,-1.3 -2,-0.5 337,-0.1 -0.993 73.9 -8.4-126.7 125.3 -1.3 -39.7 -11.6 178 178 A Q T 3 S- 0 0 102 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.891 128.2 -56.4 56.6 46.1 -4.9 -39.8 -10.6 179 179 A N T 3 S+ 0 0 143 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.375 121.6 99.7 71.3 -2.9 -5.0 -36.1 -9.6 180 180 A H E < -M 177 0F 71 -3,-1.3 -3,-2.5 5,-0.0 2,-0.4 -0.743 62.7-141.1-112.8 160.5 -2.1 -36.7 -7.1 181 181 A F E > -M 176 0F 50 -2,-0.3 3,-1.2 -5,-0.2 -5,-0.2 -0.986 5.3-156.9-126.2 125.8 1.7 -36.0 -7.4 182 182 A A G > >S+ 0 0 3 -7,-0.8 6,-2.4 -2,-0.4 3,-1.4 0.797 94.6 63.6 -68.2 -29.6 4.4 -38.4 -6.1 183 183 A S G 3 5S+ 0 0 2 -8,-0.4 60,-1.7 1,-0.3 -1,-0.3 0.408 104.3 48.2 -76.9 2.0 6.9 -35.5 -5.9 184 184 A R G < 5S+ 0 0 69 -3,-1.2 -1,-0.3 58,-0.2 61,-0.2 0.187 107.1 57.2-119.7 12.0 4.6 -33.8 -3.3 185 185 A E T < 5S- 0 0 38 -3,-1.4 57,-0.2 59,-0.1 -2,-0.1 0.169 115.5 -92.2-136.3 17.2 4.1 -36.8 -1.1 186 186 A G T 5S+ 0 0 0 55,-2.4 56,-0.1 -4,-0.1 -3,-0.1 -0.030 109.1 85.2 96.6 -30.8 7.5 -38.1 0.1 187 187 A F S + 0 0 12 539,-0.1 3,-2.7 1,-0.1 -1,-0.1 0.991 47.9 155.2 -54.7 -76.4 27.6 6.4 -12.5 214 214 A I T 3 S- 0 0 93 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.753 93.5 -71.3 45.2 25.1 30.0 3.4 -12.7 215 215 A F T > S+ 0 0 75 1,-0.2 3,-0.8 537,-0.1 -1,-0.3 0.802 84.1 172.4 60.5 36.8 27.1 2.1 -14.8 216 216 A N T < + 0 0 15 -3,-2.7 -1,-0.2 1,-0.2 543,-0.1 -0.435 60.9 5.9 -68.6 145.7 24.7 1.7 -11.9 217 217 A R T 3 S+ 0 0 1 -12,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.612 88.2 124.4 57.7 19.8 21.1 0.8 -12.5 218 218 A R S < S- 0 0 76 -3,-0.8 -1,-0.1 1,-0.2 -2,-0.1 0.577 79.9 -86.9 -85.7 -8.9 21.7 0.4 -16.3 219 219 A G - 0 0 2 -4,-0.1 195,-2.6 195,-0.1 196,-0.4 -0.077 36.4-138.6 111.7 145.1 20.3 -3.2 -16.4 220 220 A Y E -PQ 203 413G 7 -17,-2.3 -17,-2.4 193,-0.2 2,-0.3 -0.993 9.1-139.9-139.9 129.5 21.8 -6.6 -15.9 221 221 A F E -P 202 0G 0 191,-2.1 -19,-0.2 -2,-0.4 147,-0.1 -0.643 29.3-111.0 -87.4 148.4 21.2 -9.8 -17.8 222 222 A S - 0 0 5 -21,-2.6 147,-0.1 -2,-0.3 -22,-0.1 -0.376 24.7-113.9 -78.0 153.5 20.9 -13.2 -16.0 223 223 A D >> - 0 0 0 145,-0.3 4,-1.7 1,-0.1 3,-1.6 -0.821 18.8-141.8 -91.0 116.7 23.5 -15.9 -16.1 224 224 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 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4,-2.2 2,-0.2 -2,-0.2 0.956 110.8 50.9 -59.0 -50.6 12.9 -27.5 -8.1 235 235 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.915 110.1 50.5 -50.3 -49.6 14.2 -30.8 -9.6 236 236 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 3,-0.4 0.958 109.9 48.4 -53.9 -55.8 15.8 -31.6 -6.2 237 237 A H H <>S+ 0 0 1 -4,-2.6 5,-2.2 1,-0.2 6,-0.9 0.820 113.2 49.8 -54.7 -35.2 12.6 -30.8 -4.2 238 238 A G H ><5S+ 0 0 0 -4,-2.2 -49,-0.8 3,-0.2 3,-0.6 0.817 107.6 51.3 -75.8 -34.3 10.7 -33.0 -6.6 239 239 A L H 3<5S+ 0 0 0 -4,-2.1 -121,-0.2 -3,-0.4 -2,-0.2 0.821 110.9 48.8 -73.6 -31.2 13.0 -36.0 -6.4 240 240 A Y T 3<5S- 0 0 8 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.411 110.8-124.8 -85.6 1.9 12.9 -36.0 -2.6 241 241 A G T < 5S+ 0 0 1 -3,-0.6 -55,-2.4 -5,-0.2 -3,-0.2 0.749 81.6 114.1 61.6 27.4 9.1 -35.7 -2.8 242 242 A I < + 0 0 2 -5,-2.2 2,-2.3 -6,-0.2 -4,-0.2 0.260 29.8 112.1-111.1 7.4 9.1 -32.6 -0.7 243 243 A K + 0 0 26 -60,-1.7 -1,-0.1 -6,-0.9 -5,-0.1 -0.308 54.8 168.2 -78.5 56.3 7.8 -30.1 -3.3 244 244 A V - 0 0 9 -2,-2.3 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-2,-0.2 0.639 118.4 37.3 -79.3 -16.6 9.9 -51.6 7.2 305 305 A K H << S+ 0 0 93 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.527 89.3 110.5-112.2 -12.6 7.0 -53.4 5.6 306 306 A V < + 0 0 3 -4,-1.7 -178,-0.2 1,-0.2 -179,-0.1 -0.446 23.5 146.7 -71.3 135.8 8.3 -53.9 2.1 307 307 A L + 0 0 133 -180,-2.1 2,-0.3 1,-0.4 -1,-0.2 0.531 58.2 32.7-137.6 -34.3 9.2 -57.5 1.1 308 308 A V E -l 128 0E 86 -181,-1.4 -179,-1.7 9,-0.1 2,-0.5 -0.938 58.5-137.1-134.6 153.3 8.5 -58.0 -2.6 309 309 A C E -l 129 0E 17 -2,-0.3 -179,-0.2 -181,-0.2 6,-0.1 -0.963 14.9-166.4-108.0 124.0 8.5 -56.1 -6.0 310 310 A I S S+ 0 0 93 -181,-2.0 -180,-0.2 -2,-0.5 -1,-0.1 0.837 81.8 47.4 -80.3 -36.5 5.4 -56.9 -8.1 311 311 A S S S+ 0 0 29 -182,-0.6 -1,-0.1 1,-0.2 -181,-0.1 0.916 122.7 20.2 -72.3 -46.1 6.5 -55.5 -11.5 312 312 A D > - 0 0 5 -183,-0.2 3,-1.1 1,-0.1 -1,-0.2 -0.976 49.7-165.1-136.6 118.7 10.0 -57.0 -11.6 313 313 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.626 92.2 69.8 -71.3 -14.5 11.4 -60.1 -9.8 314 314 A N T 3 S+ 0 0 127 2,-0.1 2,-0.6 0, 0.0 -2,-0.0 0.570 73.8 103.9 -78.7 -12.0 14.9 -58.9 -10.9 315 315 A I S < S- 0 0 16 -3,-1.1 2,-0.5 -6,-0.1 -6,-0.2 -0.640 73.4-136.7 -72.8 116.0 14.6 -55.9 -8.5 316 316 A N > - 0 0 94 -2,-0.6 4,-1.5 1,-0.2 5,-0.2 -0.677 8.9-155.2 -78.3 120.2 16.7 -56.7 -5.4 317 317 A I H > S+ 0 0 28 -2,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.888 89.9 49.0 -65.9 -43.2 14.7 -55.7 -2.3 318 318 A N H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 106.4 56.4 -66.1 -38.7 17.8 -55.1 -0.0 319 319 A I H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.924 113.0 40.1 -60.1 -47.2 19.6 -52.9 -2.5 320 320 A Y H X S+ 0 0 11 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.785 112.9 55.6 -74.5 -28.3 16.7 -50.5 -2.8 321 321 A K H X S+ 0 0 39 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.874 110.9 45.6 -65.8 -38.8 16.1 -50.7 1.0 322 322 A N H X S+ 0 0 57 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.790 114.0 49.4 -72.7 -30.3 19.7 -49.7 1.5 323 323 A K H X S+ 0 0 2 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.883 109.6 48.2 -78.3 -41.7 19.4 -46.9 -1.1 324 324 A F H X S+ 0 0 0 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-559,-0.3 -4,-0.3 2,-0.3 0.742 122.1 34.4 -98.6 -29.1 13.8 -11.7 8.7 838 879 A T < - 0 0 2 -4,-1.9 -563,-0.1 -560,-0.1 -1,-0.0 -0.836 42.5-168.3-127.1 163.5 16.1 -9.7 6.3 839 880 A N + 0 0 126 -2,-0.3 -4,-0.1 -3,-0.0 3,-0.1 -0.096 54.4 116.7-136.9 35.4 19.8 -9.4 5.5 840 881 A D - 0 0 60 1,-0.1 2,-3.3 -566,-0.0 -5,-0.0 0.607 55.2-156.9 -81.5 -13.3 19.7 -6.2 3.4 841 882 A T S > S+ 0 0 103 1,-0.2 4,-1.7 -6,-0.0 5,-0.2 -0.126 87.0 69.6 60.1 -43.3 21.9 -4.1 5.8 842 883 A I H > S+ 0 0 51 -2,-3.3 4,-1.1 2,-0.2 -1,-0.2 0.908 105.8 36.9 -64.6 -44.0 20.3 -1.0 4.3 843 884 A L H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.720 111.8 62.1 -78.7 -23.7 16.9 -1.9 5.9 844 885 A I H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.868 105.0 46.1 -68.7 -37.5 18.7 -3.2 9.0 845 886 A E H X S+ 0 0 110 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.856 108.5 55.1 -74.5 -37.8 20.2 0.3 9.7 846 887 A M H X S+ 0 0 18 -4,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.859 110.0 47.9 -60.4 -37.6 16.9 2.0 9.2 847 888 A F H < S+ 0 0 24 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.871 112.3 49.3 -68.0 -39.5 15.5 -0.3 11.8 848 889 A N H < S+ 0 0 96 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.842 104.9 56.4 -71.2 -36.6 18.4 0.4 14.1 849 890 A K H < S+ 0 0 110 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.840 90.1 93.0 -61.4 -35.4 18.1 4.2 13.7 850 891 A Y < 0 0 65 -4,-1.0 -3,-0.0 -5,-0.2 -75,-0.0 -0.413 360.0 360.0 -64.1 131.0 14.5 3.9 15.0 851 892 A N 0 0 192 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 0.638 360.0 360.0 -91.1 360.0 14.1 4.4 18.7