==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-10 2XHL . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN B LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR G.MASUYER,M.BEARD,V.A.CADD,J.A.CHADDOCK,K.R.ACHARYA . 840 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 64 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 2 5 2 1 0 0 2 1 1 0 0 2 0 1 0 0 0 1 0 0 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 . 8 6 4 1 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 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 0 168 0, 0.0 2,-0.1 0, 0.0 488,-0.1 0.000 360.0 360.0 360.0 178.2 52.6 23.3 9.0 2 2 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 104,-0.0 -0.396 360.0-108.5 -59.2 128.7 53.2 23.7 12.8 3 3 A V - 0 0 14 -2,-0.1 2,-0.5 97,-0.1 107,-0.0 -0.396 33.0-160.0 -66.9 125.3 50.9 26.4 14.3 4 4 A T - 0 0 83 -2,-0.2 2,-0.4 -3,-0.1 37,-0.3 -0.939 4.4-153.0-112.1 117.7 52.7 29.6 15.3 5 5 A I - 0 0 10 -2,-0.5 2,-0.2 35,-0.1 35,-0.2 -0.735 21.9-131.2 -84.7 135.4 51.2 32.0 17.7 6 6 A N - 0 0 34 33,-2.3 2,-0.4 -2,-0.4 -1,-0.0 -0.537 9.3-141.0 -90.1 153.0 52.4 35.6 17.3 7 7 A N + 0 0 127 -2,-0.2 2,-0.3 2,-0.0 83,-0.0 -0.933 36.4 132.9-114.0 138.7 53.6 38.1 19.9 8 8 A F - 0 0 13 -2,-0.4 2,-0.3 29,-0.0 29,-0.0 -0.970 42.4-120.4-170.8 161.6 52.8 41.8 20.0 9 9 A N > - 0 0 76 -2,-0.3 3,-0.7 1,-0.1 77,-0.0 -0.788 26.9-121.5-108.1 157.9 51.7 44.7 22.1 10 10 A Y T 3 S+ 0 0 23 -2,-0.3 -1,-0.1 1,-0.2 73,-0.1 0.810 113.8 58.4 -63.9 -30.2 48.6 46.9 21.6 11 11 A N T 3 S+ 0 0 112 71,-0.1 -1,-0.2 72,-0.0 72,-0.0 0.689 80.0 114.9 -73.3 -21.6 51.0 49.9 21.3 12 12 A D S < S- 0 0 53 -3,-0.7 3,-0.1 1,-0.1 -4,-0.0 -0.142 74.0-102.6 -51.7 143.1 52.9 48.5 18.4 13 13 A P - 0 0 106 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.209 35.2 -97.0 -69.4 160.5 52.6 50.4 15.1 14 14 A I + 0 0 78 1,-0.1 6,-0.2 2,-0.1 7,-0.0 -0.685 41.9 171.1 -78.0 122.0 50.4 49.4 12.2 15 15 A D - 0 0 91 4,-1.2 5,-0.2 -2,-0.5 -1,-0.1 0.322 45.4-122.1-113.0 3.9 52.5 47.5 9.6 16 16 A N S S+ 0 0 46 3,-1.6 4,-0.2 1,-0.1 -2,-0.1 0.845 97.5 68.9 51.7 40.3 49.7 46.4 7.3 17 17 A N S S- 0 0 99 2,-0.5 3,-0.1 21,-0.0 -1,-0.1 0.343 117.6 -0.9-140.6 -72.4 50.7 42.7 7.8 18 18 A N S S+ 0 0 52 1,-0.2 20,-3.0 19,-0.1 2,-0.4 0.594 135.7 45.8-101.5 -18.1 50.1 41.4 11.4 19 19 A I E S+A 37 0A 8 18,-0.2 -3,-1.6 -6,-0.1 -4,-1.2 -0.975 77.9 152.0-129.6 116.6 48.7 44.6 12.8 20 20 A I E -A 36 0A 0 16,-2.2 16,-3.1 -2,-0.4 2,-0.7 -0.784 51.0-106.1-135.6 170.9 46.1 46.4 10.6 21 21 A M E -AB 35 141A 48 120,-0.6 120,-2.7 -2,-0.2 2,-0.4 -0.940 47.5-165.2-102.9 109.7 43.1 48.7 10.6 22 22 A M E -AB 34 140A 0 12,-3.1 12,-2.8 -2,-0.7 118,-0.2 -0.799 24.8-150.2-107.7 137.2 40.1 46.4 9.9 23 23 A E E - B 0 139A 5 116,-3.1 116,-0.9 -2,-0.4 10,-0.1 -0.869 32.0-142.1 -99.0 96.8 36.6 47.2 8.8 24 24 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 5,-0.4 -0.136 22.0-104.0 -64.7 157.6 34.6 44.2 10.3 25 25 A P G > S+ 0 0 7 0, 0.0 3,-0.7 0, 0.0 109,-0.1 0.762 118.9 50.4 -55.1 -32.4 31.7 42.6 8.4 26 26 A F G 3 S+ 0 0 9 1,-0.2 27,-0.1 2,-0.1 480,-0.1 0.474 87.9 80.6 -88.3 -2.5 29.0 44.2 10.6 27 27 A A G X S- 0 0 5 -3,-2.1 3,-1.3 5,-0.1 -1,-0.2 0.665 88.1-145.9 -73.2 -16.9 30.4 47.7 10.2 28 28 A R T < - 0 0 99 -3,-0.7 476,-0.2 -4,-0.4 -2,-0.1 0.612 56.0 -68.8 64.1 17.2 28.6 47.8 6.8 29 29 A G T 3 S+ 0 0 26 -5,-0.4 -1,-0.3 3,-0.1 475,-0.1 0.815 94.3 139.1 71.5 32.5 31.4 49.9 5.2 30 30 A T S < S- 0 0 97 -3,-1.3 3,-0.1 2,-0.1 -2,-0.1 0.228 78.6 -99.8 -93.1 12.7 30.4 52.9 7.3 31 31 A G S S+ 0 0 36 1,-0.2 2,-1.0 -8,-0.0 -3,-0.1 0.684 75.9 142.2 79.1 19.7 34.0 53.9 7.9 32 32 A R - 0 0 166 -5,-0.2 2,-0.4 -8,-0.1 -1,-0.2 -0.811 29.7-175.1 -92.7 98.4 34.3 52.4 11.4 33 33 A Y - 0 0 48 -2,-1.0 2,-0.3 -10,-0.1 -10,-0.2 -0.817 6.9-163.2-101.9 136.7 37.8 51.0 11.5 34 34 A Y E -A 22 0A 25 -12,-2.8 -12,-3.1 -2,-0.4 2,-0.6 -0.862 28.3-108.0-116.8 148.2 39.2 49.0 14.4 35 35 A K E -A 21 0A 34 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.677 44.4-165.8 -77.0 118.2 42.8 48.1 15.2 36 36 A A E -A 20 0A 0 -16,-3.1 -16,-2.2 -2,-0.6 2,-0.5 -0.850 13.2-156.9-116.9 144.6 43.2 44.4 14.5 37 37 A F E -AC 19 45A 0 8,-2.3 8,-3.1 -2,-0.3 2,-0.9 -0.964 14.6-138.4-126.7 118.9 45.9 41.9 15.4 38 38 A K E + C 0 44A 16 -20,-3.0 6,-0.2 -2,-0.5 3,-0.1 -0.634 23.7 174.3 -78.1 104.7 46.7 38.6 13.6 39 39 A I E S- 0 0 0 4,-1.2 -33,-2.3 -2,-0.9 2,-0.3 0.880 73.2 -8.3 -79.2 -41.1 47.3 36.0 16.3 40 40 A T E > S- C 0 43A 2 3,-1.1 3,-2.7 -35,-0.2 -1,-0.3 -0.947 102.9 -61.5-144.7 163.4 47.6 33.1 13.8 41 41 A D T 3 S+ 0 0 83 -2,-0.3 3,-0.1 1,-0.3 115,-0.1 -0.193 124.7 3.3 -46.8 127.4 47.0 32.9 10.0 42 42 A R T 3 S+ 0 0 7 113,-0.2 115,-2.5 1,-0.1 116,-2.4 0.404 111.5 101.8 71.5 0.5 43.3 33.7 9.3 43 43 A I E < -Cd 40 158A 0 -3,-2.7 -4,-1.2 114,-0.2 -3,-1.1 -0.969 51.0-173.5-117.4 125.6 42.6 34.5 13.0 44 44 A W E -Cd 38 159A 0 114,-2.8 116,-3.3 -2,-0.5 2,-0.5 -0.915 14.4-149.6-120.8 143.2 42.3 38.1 14.1 45 45 A I E -Cd 37 160A 1 -8,-3.1 -8,-2.3 -2,-0.4 116,-0.2 -0.953 9.3-176.3-111.4 122.8 42.0 39.7 17.5 46 46 A I E - d 0 161A 0 114,-3.4 2,-2.3 -2,-0.5 116,-0.6 -0.929 15.7-155.3-111.3 102.2 40.2 43.0 18.0 47 47 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 41,-0.1 -0.225 58.0 102.3 -77.0 52.9 40.6 43.9 21.7 48 48 A E S S- 0 0 44 -2,-2.3 114,-2.6 114,-0.1 -2,-0.1 -0.911 80.1 -85.1-132.3 159.3 37.4 46.1 21.8 49 49 A R - 0 0 26 30,-0.3 2,-0.9 -2,-0.3 115,-0.2 -0.327 42.2-115.4 -64.3 141.4 33.8 45.8 23.0 50 50 A Y + 0 0 0 113,-1.4 -1,-0.1 112,-0.3 144,-0.0 -0.712 44.6 164.0 -81.8 107.2 31.4 44.1 20.6 51 51 A T > + 0 0 61 -2,-0.9 3,-1.2 113,-0.1 2,-0.7 0.346 28.0 121.7-109.9 3.8 28.9 47.0 19.9 52 52 A F T 3 S+ 0 0 19 1,-0.3 3,-0.1 458,-0.0 -25,-0.1 -0.600 88.4 3.1 -79.2 111.6 27.1 45.6 16.8 53 53 A G T 3 S+ 0 0 23 -2,-0.7 458,-2.6 1,-0.4 2,-0.3 0.397 112.7 102.1 95.1 -0.5 23.4 45.3 17.4 54 54 A Y < - 0 0 21 -3,-1.2 -1,-0.4 456,-0.1 458,-0.1 -0.815 68.1-125.6-113.2 155.2 23.6 46.9 20.9 55 55 A K >> - 0 0 102 -2,-0.3 3,-1.5 456,-0.2 4,-0.5 -0.750 25.3-118.1 -96.0 146.6 22.8 50.4 22.2 56 56 A P G >4 S+ 0 0 108 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.833 117.5 50.6 -49.5 -36.5 25.4 52.4 24.1 57 57 A E G >4 S+ 0 0 118 1,-0.2 3,-1.6 2,-0.1 -3,-0.0 0.686 92.7 75.0 -76.9 -20.8 23.1 52.4 27.1 58 58 A D G <4 S+ 0 0 18 -3,-1.5 -1,-0.2 1,-0.3 4,-0.2 0.664 79.8 73.4 -65.9 -17.8 22.6 48.6 27.0 59 59 A F G << S+ 0 0 18 -3,-0.8 2,-0.3 -4,-0.5 16,-0.3 0.519 85.2 84.6 -74.6 -6.1 26.1 48.2 28.4 60 60 A N S < S- 0 0 88 -3,-1.6 2,-0.5 15,-0.1 15,-0.1 -0.745 94.3-100.6 -98.0 146.8 24.7 49.4 31.8 61 61 A K + 0 0 87 -2,-0.3 2,-0.2 13,-0.1 -2,-0.1 -0.533 52.5 176.5 -67.9 117.2 23.0 47.1 34.3 62 62 A S - 0 0 57 2,-0.5 -4,-0.0 -2,-0.5 -1,-0.0 -0.717 49.4 -95.5-119.4 167.8 19.2 47.7 33.9 63 63 A S S S+ 0 0 97 -2,-0.2 453,-1.8 452,-0.0 2,-0.2 0.374 106.0 67.3 -64.8 7.3 16.0 46.2 35.5 64 64 A G E -I 515 0B 5 451,-0.3 -2,-0.5 452,-0.1 2,-0.3 -0.744 69.2-141.7-125.4 173.2 16.0 43.9 32.4 65 65 A I E -I 514 0B 0 449,-3.2 449,-2.9 -2,-0.2 3,-0.1 -0.906 13.6-145.0-132.4 158.2 18.0 41.1 30.8 66 66 A F S S+ 0 0 14 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.904 91.5 20.0 -84.3 -53.4 19.1 39.9 27.3 67 67 A N > - 0 0 48 3,-0.1 3,-1.0 1,-0.1 -1,-0.3 -0.978 64.8-144.8-126.1 135.8 18.8 36.1 27.9 68 68 A R T 3 S+ 0 0 57 -2,-0.4 354,-0.2 1,-0.2 373,-0.1 0.450 94.4 61.7 -76.7 -2.1 16.8 34.4 30.6 69 69 A D T 3 S+ 0 0 45 372,-0.1 2,-0.4 352,-0.1 -1,-0.2 0.599 92.1 72.5-100.3 -15.3 19.4 31.6 31.1 70 70 A V S < S- 0 0 33 -3,-1.0 2,-1.2 350,-0.1 352,-0.3 -0.822 75.3-129.6-110.6 138.3 22.4 33.6 32.2 71 71 A C - 0 0 11 -2,-0.4 2,-0.6 297,-0.2 350,-0.2 -0.786 46.1-143.7 -74.8 99.5 23.3 35.4 35.4 72 72 A E E -J 420 0C 0 348,-2.3 348,-2.5 -2,-1.2 2,-0.5 -0.605 18.7-166.0 -85.7 116.3 24.2 38.5 33.4 73 73 A Y E -J 419 0C 23 -2,-0.6 94,-2.3 346,-0.2 95,-0.4 -0.881 6.2-164.1-102.6 124.1 27.1 40.7 34.6 74 74 A Y B +K 166 0D 1 344,-1.6 92,-0.2 -2,-0.5 -13,-0.1 -0.814 18.4 162.0-106.4 144.9 27.5 44.2 33.1 75 75 A D > - 0 0 37 90,-0.6 3,-1.3 -2,-0.3 -15,-0.1 -0.609 13.8-173.6-162.4 97.4 30.6 46.4 33.2 76 76 A P T 3 S+ 0 0 50 0, 0.0 -16,-0.1 0, 0.0 -17,-0.0 0.680 82.8 62.0 -68.4 -19.9 30.8 49.4 30.8 77 77 A D T > S+ 0 0 95 2,-0.1 3,-0.9 3,-0.0 2,-0.4 0.259 73.0 117.0 -95.5 11.5 34.4 50.3 31.8 78 78 A Y T < S+ 0 0 21 -3,-1.3 -29,-0.1 1,-0.2 -3,-0.1 -0.699 88.9 2.7 -80.1 127.1 35.9 47.0 30.7 79 79 A L T 3 S+ 0 0 8 -2,-0.4 -30,-0.3 -31,-0.1 -1,-0.2 0.828 89.8 132.7 64.2 38.2 38.4 47.5 27.8 80 80 A N < + 0 0 89 -3,-0.9 2,-0.3 -32,-0.1 -2,-0.1 0.603 61.4 44.8 -93.2 -13.7 38.0 51.3 27.9 81 81 A T S > S- 0 0 67 -4,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.915 84.1-111.6-133.4 159.6 41.8 52.2 27.9 82 82 A N H > S+ 0 0 75 -2,-0.3 4,-1.5 1,-0.2 -72,-0.1 0.816 115.5 53.7 -58.3 -39.0 44.9 51.1 26.0 83 83 A D H > S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.902 111.9 46.7 -61.5 -40.9 46.6 49.4 29.0 84 84 A K H > S+ 0 0 85 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.871 109.1 53.1 -69.1 -39.8 43.4 47.3 29.5 85 85 A K H X S+ 0 0 25 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.799 107.5 53.8 -64.4 -30.5 43.2 46.4 25.8 86 86 A N H X S+ 0 0 37 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.876 102.9 54.3 -72.7 -40.9 46.8 45.2 26.0 87 87 A I H X S+ 0 0 76 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.916 106.4 55.4 -55.3 -44.1 46.0 42.9 29.0 88 88 A F H X S+ 0 0 3 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.923 107.3 48.1 -53.5 -50.5 43.3 41.4 26.7 89 89 A L H X S+ 0 0 1 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.905 112.5 46.6 -59.3 -47.7 45.8 40.6 23.9 90 90 A Q H X S+ 0 0 49 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.820 112.3 51.4 -68.8 -32.3 48.4 39.0 26.2 91 91 A T H X S+ 0 0 8 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.908 110.5 48.5 -67.4 -43.6 45.7 36.9 27.9 92 92 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.876 111.2 50.7 -63.7 -38.5 44.4 35.8 24.5 93 93 A I H X S+ 0 0 7 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.878 111.0 48.8 -64.5 -40.0 48.0 34.9 23.5 94 94 A K H X S+ 0 0 19 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.889 111.7 48.3 -68.3 -40.7 48.4 32.9 26.7 95 95 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.878 110.5 51.4 -66.6 -39.7 45.1 31.0 26.2 96 96 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.836 108.9 51.5 -64.5 -34.7 46.1 30.2 22.6 97 97 A N H < S+ 0 0 36 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.827 107.9 52.3 -69.9 -33.7 49.4 28.8 23.8 98 98 A R H < S+ 0 0 1 -4,-1.6 3,-0.5 2,-0.2 -2,-0.2 0.872 109.2 51.1 -65.5 -38.2 47.5 26.7 26.3 99 99 A I H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 6,-0.3 0.942 111.4 44.1 -66.8 -49.7 45.4 25.3 23.4 100 100 A K T 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.484 91.2 89.3 -75.0 -1.1 48.3 24.4 21.1 101 101 A S T 3 S+ 0 0 48 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.527 90.6 45.9 -76.6 -6.3 50.1 22.8 24.2 102 102 A K S <> S- 0 0 46 -3,-1.1 4,-2.1 -4,-0.1 5,-0.2 -0.979 89.1-119.8-131.6 150.0 48.4 19.5 23.4 103 103 A P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.848 110.3 55.5 -56.0 -40.0 48.0 17.7 20.1 104 104 A L H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.936 110.6 43.5 -59.4 -50.8 44.1 17.8 20.2 105 105 A G H > S+ 0 0 1 -6,-0.3 4,-2.1 1,-0.2 -5,-0.2 0.853 111.3 55.5 -63.5 -36.8 44.0 21.6 20.7 106 106 A E H X S+ 0 0 61 -4,-2.1 4,-2.3 -7,-0.3 -1,-0.2 0.886 107.7 49.2 -63.4 -40.3 46.6 22.0 18.0 107 107 A K H X S+ 0 0 15 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.910 107.4 54.8 -64.1 -42.7 44.5 20.1 15.5 108 108 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.919 111.3 45.9 -54.2 -46.1 41.4 22.2 16.4 109 109 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 112.3 47.8 -65.3 -46.4 43.4 25.3 15.6 110 110 A E H X S+ 0 0 45 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.777 109.5 55.1 -70.3 -25.2 44.9 24.0 12.3 111 111 A M H X S+ 0 0 8 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.923 111.0 45.6 -63.4 -47.6 41.4 22.8 11.3 112 112 A I H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.1 0.898 113.2 48.3 -64.0 -46.5 40.2 26.4 11.8 113 113 A I H < S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.920 119.6 37.9 -60.4 -46.4 43.1 28.0 10.0 114 114 A N H < S+ 0 0 24 -4,-1.9 2,-1.7 1,-0.2 -1,-0.2 0.575 92.7 88.4 -86.1 -12.2 42.8 25.8 7.0 115 115 A G < + 0 0 0 -4,-1.3 -1,-0.2 -3,-0.1 3,-0.1 -0.330 66.8 179.9 -84.4 55.6 39.0 25.6 6.9 116 116 A I - 0 0 4 -2,-1.7 41,-0.1 1,-0.1 3,-0.1 -0.228 33.1-100.7 -61.4 142.0 38.7 28.6 4.7 117 117 A P - 0 0 8 0, 0.0 71,-0.2 0, 0.0 72,-0.1 -0.288 43.4 -99.2 -58.0 146.6 35.2 29.8 3.6 118 118 A Y - 0 0 0 69,-2.5 2,-2.7 70,-0.3 69,-0.1 -0.456 34.6-113.8 -64.5 142.5 34.1 28.9 0.1 119 119 A L S S+ 0 0 2 -2,-0.1 11,-2.2 -3,-0.1 2,-0.3 -0.417 89.2 33.1 -81.5 69.3 34.6 31.8 -2.3 120 120 A G - 0 0 0 -2,-2.7 2,-0.2 9,-0.2 -2,-0.1 -0.985 66.1-126.4 173.7-163.8 30.9 32.2 -2.8 121 121 A D > - 0 0 2 -2,-0.3 3,-0.6 4,-0.1 60,-0.0 -0.846 46.9 -84.6-157.2 179.4 27.3 32.0 -1.6 122 122 A R T 3 S+ 0 0 127 -2,-0.2 4,-0.1 1,-0.2 59,-0.0 0.758 126.4 56.1 -70.5 -23.3 24.0 30.3 -2.6 123 123 A R T 3 S+ 0 0 99 2,-0.1 -1,-0.2 3,-0.0 3,-0.0 0.587 86.0 98.1 -84.9 -13.9 23.4 33.3 -4.9 124 124 A V S < S- 0 0 11 -3,-0.6 6,-0.1 1,-0.1 2,-0.0 -0.618 84.9-110.7 -77.3 130.0 26.6 32.8 -6.8 125 125 A P > - 0 0 61 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.369 27.8-116.6 -58.1 141.1 26.3 30.9 -10.1 126 126 A L T 3 S+ 0 0 57 1,-0.3 169,-0.2 -4,-0.1 170,-0.1 0.795 112.8 58.4 -50.1 -37.2 27.9 27.4 -9.9 127 127 A E T 3 S+ 0 0 85 169,-0.2 170,-2.8 167,-0.1 171,-1.5 0.403 101.9 76.9 -75.5 2.8 30.5 28.3 -12.6 128 128 A E E < -l 298 0E 45 -3,-2.3 2,-0.4 168,-0.2 171,-0.2 -0.847 59.9-150.6-126.1 149.2 31.8 31.2 -10.5 129 129 A F E -l 299 0E 0 169,-2.2 171,-1.1 -2,-0.3 172,-0.5 -0.935 21.6-173.8-104.2 139.7 34.0 32.3 -7.6 130 130 A N + 0 0 33 -11,-2.2 3,-0.1 -2,-0.4 -6,-0.1 -0.943 19.3 171.6-139.2 118.1 32.9 35.6 -5.9 131 131 A T + 0 0 2 -2,-0.4 2,-2.7 1,-0.2 6,-0.5 0.709 60.1 93.7 -93.7 -24.2 34.9 37.2 -3.1 132 132 A N + 0 0 32 4,-0.1 2,-0.3 -13,-0.1 -1,-0.2 -0.257 63.6 99.8 -73.4 53.9 32.9 40.4 -3.0 133 133 A I S >> S- 0 0 4 -2,-2.7 4,-2.3 -3,-0.1 3,-2.0 -0.987 79.2-120.5-136.0 150.5 30.5 39.3 -0.2 134 134 A A T 34 S+ 0 0 2 371,-0.5 372,-0.1 -2,-0.3 370,-0.1 0.639 110.1 59.0 -65.4 -17.3 30.7 40.1 3.5 135 135 A S T 34 S+ 0 0 0 54,-0.1 55,-2.4 1,-0.1 -1,-0.3 0.485 117.0 31.5 -89.0 -4.8 31.0 36.5 4.5 136 136 A V T <4 S+ 0 0 3 -3,-2.0 20,-0.7 -5,-0.3 2,-0.3 0.734 116.3 43.5-116.5 -46.4 34.2 36.0 2.5 137 137 A T E < - E 0 155A 0 -4,-2.3 2,-0.3 -6,-0.5 -1,-0.3 -0.813 51.8-172.6-115.5 147.5 36.1 39.4 2.4 138 138 A V E - E 0 154A 0 16,-1.7 16,-2.1 -2,-0.3 2,-0.3 -0.995 24.6-122.8-134.6 138.9 37.0 42.0 5.0 139 139 A N E -BE 23 153A 0 -116,-0.9 -116,-3.1 -2,-0.3 2,-0.4 -0.605 17.2-164.5 -87.8 140.7 38.6 45.4 4.3 140 140 A K E -BE 22 152A 10 12,-3.2 12,-2.6 -2,-0.3 2,-0.5 -0.961 19.0-131.2-115.6 143.6 41.8 46.8 5.8 141 141 A L E +BE 21 151A 34 -120,-2.7 -120,-0.6 -2,-0.4 10,-0.2 -0.809 24.3 175.1 -93.5 129.0 42.7 50.5 5.5 142 142 A I + 0 0 41 8,-2.1 9,-0.1 -2,-0.5 -1,-0.1 0.387 45.2 111.5-112.2 -1.7 46.3 51.2 4.3 143 143 A S S S- 0 0 15 7,-0.7 3,-0.1 1,-0.1 6,-0.1 -0.413 76.0-105.9 -72.7 146.5 45.9 55.0 4.2 144 144 A N - 0 0 113 1,-0.1 3,-0.2 4,-0.1 -1,-0.1 -0.454 57.8 -78.5 -63.9 144.1 47.8 57.3 6.6 145 145 A P S S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.254 118.5 16.1 -51.6 124.7 45.4 58.8 9.3 146 146 A G S S+ 0 0 88 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.977 102.9 110.2 73.2 61.5 43.4 61.6 7.7 147 147 A E S S- 0 0 94 -3,-0.2 -1,-0.2 -4,-0.0 2,-0.2 -0.908 79.1 -53.8-151.7 172.4 44.0 61.0 4.0 148 148 A V S S- 0 0 117 -2,-0.3 2,-0.2 1,-0.1 -4,-0.1 -0.399 70.3-104.4 -57.8 120.9 42.2 59.8 0.8 149 149 A E + 0 0 154 -2,-0.2 2,-0.5 -6,-0.1 -1,-0.1 -0.300 45.5 176.1 -58.8 113.8 40.6 56.5 1.7 150 150 A R - 0 0 131 -2,-0.2 -8,-2.1 -3,-0.1 -7,-0.7 -0.986 8.9-172.3-122.3 120.0 42.6 53.6 0.2 151 151 A K E -E 141 0A 65 -2,-0.5 2,-0.3 -10,-0.2 349,-0.3 -0.796 12.2-166.4-118.0 154.5 41.4 50.0 1.1 152 152 A K E -E 140 0A 101 -12,-2.6 -12,-3.2 -2,-0.3 2,-0.3 -0.985 20.3-124.2-136.4 147.0 42.7 46.5 0.5 153 153 A G E -EF 139 498A 0 345,-1.6 345,-3.0 -2,-0.3 2,-0.3 -0.695 23.8-177.5 -95.0 142.5 40.9 43.1 0.9 154 154 A I E -EF 138 497A 0 -16,-2.1 -16,-1.7 -2,-0.3 2,-0.4 -0.986 25.8-122.5-132.7 148.3 42.0 40.2 3.1 155 155 A F E -E 137 0A 10 341,-1.9 2,-0.3 -2,-0.3 -113,-0.2 -0.737 35.0-179.8 -84.3 136.1 40.6 36.7 3.6 156 156 A A - 0 0 1 -20,-0.7 -113,-0.1 -2,-0.4 3,-0.1 -0.977 26.4-171.3-137.8 149.2 39.8 35.8 7.3 157 157 A N S S+ 0 0 0 -115,-2.5 34,-2.9 1,-0.3 2,-0.4 0.800 77.3 16.1-102.9 -47.7 38.4 32.8 9.1 158 158 A L E -dg 43 191A 0 -116,-2.4 -114,-2.8 32,-0.2 2,-0.5 -0.995 53.9-168.9-135.3 133.6 37.8 34.1 12.6 159 159 A I E -dg 44 192A 0 32,-2.4 34,-2.1 -2,-0.4 2,-0.6 -0.980 15.2-157.2-119.5 117.3 37.6 37.6 14.1 160 160 A I E -dg 45 193A 0 -116,-3.3 -114,-3.4 -2,-0.5 2,-0.2 -0.842 12.6-178.8 -99.3 121.1 37.6 37.7 17.9 161 161 A F E -dg 46 194A 0 32,-3.8 34,-2.3 -2,-0.6 -112,-0.2 -0.655 32.1-102.1-103.0 166.5 36.1 40.7 19.7 162 162 A G - 0 0 0 -114,-2.6 -112,-0.3 -116,-0.6 34,-0.2 -0.211 61.1 -66.9 -72.1 179.3 35.9 41.5 23.4 163 163 A P - 0 0 0 0, 0.0 -113,-1.4 0, 0.0 -1,-0.2 -0.141 42.1-130.5 -73.7 164.5 32.5 41.0 25.1 164 164 A G - 0 0 0 2,-0.6 -113,-0.1 5,-0.3 5,-0.1 0.151 63.8 -50.4 -84.5-148.9 29.3 42.9 24.6 165 165 A P S S+ 0 0 0 0, 0.0 2,-0.7 0, 0.0 -90,-0.6 0.850 132.8 58.1 -58.0 -37.7 27.2 44.3 27.4 166 166 A V B > S-K 74 0D 2 1,-0.2 3,-1.0 -92,-0.2 -2,-0.6 -0.870 70.9-165.7 -99.6 113.3 27.2 41.0 29.2 167 167 A L T 3 S+ 0 0 0 -94,-2.3 -1,-0.2 -2,-0.7 32,-0.1 0.860 84.6 49.9 -68.0 -38.8 30.8 39.9 29.9 168 168 A N T 3 S+ 0 0 29 -95,-0.4 2,-0.8 1,-0.1 -1,-0.2 0.324 88.1 91.8 -87.2 8.6 30.2 36.3 30.9 169 169 A E < - 0 0 21 -3,-1.0 2,-0.5 -96,-0.2 -5,-0.3 -0.736 58.4-173.9-107.1 83.6 28.0 35.6 27.8 170 170 A N + 0 0 27 -2,-0.8 2,-0.3 26,-0.1 25,-0.2 -0.676 10.0 175.4 -84.4 120.9 30.5 34.3 25.1 171 171 A E E -H 194 0A 69 23,-1.1 23,-2.2 -2,-0.5 2,-0.6 -0.926 29.1-145.6-129.6 149.1 28.9 33.8 21.7 172 172 A T E -H 193 0A 5 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.950 25.6-165.6-114.5 111.3 30.0 32.8 18.2 173 173 A I E -H 192 0A 10 19,-1.7 19,-2.0 -2,-0.6 2,-0.2 -0.741 4.6-152.5-101.8 142.6 28.0 34.6 15.6 174 174 A D - 0 0 8 -2,-0.3 2,-0.6 17,-0.2 17,-0.1 -0.686 25.1-101.5-108.4 167.1 27.8 33.8 11.9 175 175 A I - 0 0 5 15,-0.4 7,-0.8 -2,-0.2 2,-0.4 -0.779 30.5-165.3 -99.5 119.5 27.1 36.0 8.9 176 176 A G B -MN 181 507F 1 -2,-0.6 331,-2.7 331,-0.5 2,-0.5 -0.849 3.6-169.7-102.2 133.8 23.7 36.1 7.2 177 177 A I S S- 0 0 4 3,-3.0 3,-0.3 -2,-0.4 329,-0.1 -0.979 76.3 -16.5-124.3 118.2 23.0 37.7 3.8 178 178 A Q S S- 0 0 109 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.941 129.1 -51.1 53.1 55.5 19.4 38.1 2.8 179 179 A N S S+ 0 0 127 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.787 119.2 105.6 52.7 36.0 18.1 35.7 5.4 180 180 A H - 0 0 76 -3,-0.3 -3,-3.0 5,-0.0 2,-0.5 -0.993 57.2-147.9-144.2 138.8 20.6 32.9 4.4 181 181 A F B > -M 176 0F 46 -2,-0.3 3,-1.4 -5,-0.2 -5,-0.2 -0.923 7.9-161.9-114.5 119.5 23.7 31.8 6.2 182 182 A A G > >S+ 0 0 2 -7,-0.8 6,-2.6 -2,-0.5 3,-1.4 0.823 95.7 60.4 -63.6 -33.3 26.7 30.4 4.2 183 183 A S G 3 5S+ 0 0 2 -8,-0.4 50,-1.6 1,-0.3 -1,-0.3 0.337 107.3 47.7 -78.3 6.6 28.0 28.8 7.4 184 184 A R G < 5S+ 0 0 55 -3,-1.4 -1,-0.3 48,-0.2 51,-0.2 0.244 107.5 55.6-122.8 6.4 24.8 26.8 7.5 185 185 A E T < 5S- 0 0 36 -3,-1.4 -2,-0.2 49,-0.1 47,-0.1 0.177 116.8 -93.2-129.9 16.5 24.8 25.7 3.8 186 186 A G T 5S+ 0 0 0 45,-1.5 -3,-0.1 -4,-0.2 46,-0.1 0.175 108.5 91.0 92.2 -17.4 28.2 23.9 3.3 187 187 A F S > - 0 0 0 145,-0.4 4,-1.8 -2,-0.2 3,-0.8 -0.681 19.3-143.4 -76.8 123.9 39.0 27.2 32.9 214 224 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.766 97.1 61.2 -64.6 -28.1 38.9 30.0 30.3 215 225 A A H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.859 106.5 46.8 -64.2 -37.3 40.9 28.0 27.7 216 226 A L H <> S+ 0 0 0 -3,-0.8 4,-3.2 2,-0.2 -1,-0.2 0.926 110.2 52.1 -67.2 -46.5 38.1 25.4 27.7 217 227 A I H X S+ 0 0 21 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.862 112.7 46.8 -55.2 -39.2 35.5 28.2 27.4 218 228 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.864 111.8 49.5 -71.1 -39.1 37.5 29.5 24.4 219 229 A M H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.871 105.6 57.5 -69.3 -35.8 37.8 26.0 22.9 220 230 A H H >X S+ 0 0 17 -4,-3.2 4,-1.2 1,-0.2 3,-0.5 0.953 110.9 43.4 -54.2 -50.7 34.1 25.5 23.3 221 231 A E H 3X S+ 0 0 16 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.840 107.8 59.1 -65.1 -35.2 33.6 28.6 21.2 222 232 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.779 99.9 57.5 -67.2 -27.9 36.2 27.5 18.7 223 233 A I H S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 6,-0.5 0.894 113.5 50.0 -59.2 -42.6 31.3 24.1 12.4 228 238 A G H ><5S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -39,-0.7 0.887 108.3 51.4 -64.6 -41.2 30.7 27.6 11.0 229 239 A L H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.743 112.5 46.9 -70.0 -23.0 33.8 27.5 8.8 230 240 A Y T 3<5S- 0 0 7 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.477 110.8-122.6 -94.9 -4.8 32.8 24.1 7.4 231 241 A G T < 5S+ 0 0 0 -3,-0.8 -45,-1.5 -4,-0.5 -3,-0.2 0.822 79.7 117.3 68.5 32.9 29.2 25.3 6.8 232 242 A I < + 0 0 1 -5,-2.6 2,-1.6 -6,-0.1 -4,-0.2 0.173 29.0 108.5-118.6 15.3 27.8 22.5 9.0 233 243 A K + 0 0 34 -50,-1.6 2,-0.1 -6,-0.5 -1,-0.1 -0.484 58.5 175.1 -84.4 63.6 26.1 24.6 11.7 234 244 A V - 0 0 11 -2,-1.6 2,-0.4 1,-0.1 23,-0.4 -0.392 33.1-121.5 -80.6 150.2 22.7 23.6 10.3 235 245 A D + 0 0 75 -51,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.777 42.8 155.6 -86.3 130.1 19.3 24.4 11.6 236 246 A D - 0 0 24 -2,-0.4 20,-0.1 1,-0.0 21,-0.1 -0.862 57.8 -47.6-143.6 175.2 17.1 21.4 12.4 237 247 A L - 0 0 63 -2,-0.3 19,-0.3 18,-0.1 2,-0.2 -0.235 68.9-148.2 -55.0 130.8 14.2 20.8 14.8 238 248 A P - 0 0 29 0, 0.0 2,-0.7 0, 0.0 17,-0.2 -0.511 18.9-100.1 -96.3 164.0 15.3 22.2 18.1 239 249 A I B -S 254 0H 3 15,-3.2 15,-3.0 -2,-0.2 213,-0.1 -0.799 44.4-171.2 -80.0 118.3 14.6 21.3 21.7 240 250 A V - 0 0 49 -2,-0.7 209,-3.2 13,-0.2 212,-0.2 -0.948 18.9-123.9-113.2 132.7 11.9 23.8 22.8 241 251 A P B -T 448 0I 4 0, 0.0 2,-0.3 0, 0.0 207,-0.2 -0.502 22.8-114.9 -74.9 144.1 10.9 24.1 26.4 242 252 A N + 0 0 20 205,-3.2 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0.888 107.3 52.3 -66.7 -43.4 13.7 6.6 40.5 765 794 B S H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.856 114.9 41.1 -65.2 -37.2 14.6 8.2 37.2 766 795 B V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.840 110.3 59.5 -77.3 -36.1 15.7 4.9 35.7 767 796 B S H X S+ 0 0 22 -4,-1.9 4,-2.2 1,-0.2 5,-0.4 0.955 105.6 48.2 -53.8 -52.4 12.7 3.2 37.3 768 797 B Y H X S+ 0 0 18 -4,-2.6 4,-1.5 1,-0.2 5,-0.3 0.812 112.1 50.5 -59.3 -33.4 10.4 5.5 35.4 769 798 B L H X>S+ 0 0 0 -4,-0.9 5,-2.6 3,-0.2 4,-1.0 0.954 116.0 39.1 -67.8 -50.1 12.3 4.8 32.2 770 799 B M H <5S+ 0 0 40 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.720 128.0 30.9 -76.2 -24.0 12.1 1.0 32.5 771 800 B K H <5S+ 0 0 139 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.760 129.6 27.8-106.7 -31.3 8.6 0.7 33.8 772 801 B K H <5S+ 0 0 107 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.484 129.3 26.3-112.9 -5.9 6.6 3.6 32.3 773 802 B M T X5S+ 0 0 4 -4,-1.0 4,-1.2 -5,-0.3 3,-0.3 0.739 113.5 47.8-124.0 -56.6 8.4 4.4 29.0 774 803 B I H >> S+ 0 0 56 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.801 105.7 54.3 -59.5 -30.9 7.4 -1.1 27.7 776 805 B L H 3> S+ 0 0 81 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.849 111.1 45.1 -69.1 -35.9 5.0 1.2 25.9 777 806 B A H < S+ 0 0 70 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.893 106.5 49.5 -59.5 -44.5 2.8 -14.9 -1.5 798 827 B E H 3< S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.658 117.8 40.6 -72.1 -17.8 2.8 -12.5 -4.5 799 828 B N T >X S+ 0 0 4 -4,-1.0 4,-1.3 -3,-0.4 3,-0.7 0.205 74.6 117.2-114.5 14.5 6.2 -13.9 -5.7 800 829 B K T <4 S+ 0 0 127 -3,-0.9 7,-0.2 1,-0.2 6,-0.2 0.742 74.3 58.9 -55.9 -25.3 5.6 -17.6 -5.0 801 830 B L T >4 S+ 0 0 132 1,-0.2 3,-0.9 -4,-0.2 -1,-0.2 0.905 108.9 40.1 -70.2 -44.9 6.0 -18.2 -8.8 802 831 B Y T <4 S+ 0 0 69 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.589 108.6 62.9 -83.0 -11.9 9.6 -16.8 -9.1 803 832 B L T >< S- 0 0 0 -4,-1.3 3,-2.1 1,-0.3 -1,-0.2 0.315 90.5-157.1 -91.8 6.8 10.6 -18.4 -5.8 804 833 B I T < - 0 0 129 -3,-0.9 3,-0.5 1,-0.3 -1,-0.3 -0.242 65.8 -24.4 49.2-131.4 10.0 -21.9 -7.2 805 834 B G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.007 121.6 87.7 -98.2 29.2 9.4 -24.3 -4.3 806 835 B S <> + 0 0 24 -3,-2.1 4,-1.7 -6,-0.2 -1,-0.2 0.204 53.6 99.3-110.7 12.8 11.3 -22.2 -1.7 807 836 B A H > S+ 0 0 19 -3,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.855 84.4 48.6 -68.9 -37.3 8.4 -19.9 -0.6 808 837 B E H > S+ 0 0 151 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.814 107.1 58.2 -70.8 -32.3 7.7 -22.0 2.5 809 838 B Y H > S+ 0 0 175 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.925 110.4 40.9 -61.9 -47.7 11.4 -21.9 3.4 810 839 B E H X S+ 0 0 5 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.775 107.9 63.9 -72.9 -28.9 11.4 -18.1 3.4 811 840 B K H X S+ 0 0 41 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.935 108.1 39.8 -55.6 -51.5 8.1 -18.0 5.2 812 841 B S H X S+ 0 0 70 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.792 110.8 59.1 -74.7 -30.1 9.6 -19.8 8.3 813 842 B K H X S+ 0 0 63 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.938 110.2 42.7 -58.6 -49.1 12.7 -17.7 8.0 814 843 B V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.924 115.4 51.0 -62.6 -45.4 10.6 -14.6 8.4 815 844 B N H < S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 112.9 44.3 -57.7 -44.4 8.6 -16.3 11.2 816 845 B K H >< S+ 0 0 162 -4,-3.0 3,-1.3 1,-0.2 4,-0.4 0.920 112.6 51.4 -67.9 -46.5 11.7 -17.3 13.1 817 846 B Y H >< S+ 0 0 85 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.872 105.1 53.3 -62.8 -42.9 13.5 -14.0 12.8 818 847 B L T 3< S+ 0 0 18 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.294 95.4 71.7 -80.8 11.3 10.7 -11.7 14.0 819 848 B K T < S+ 0 0 185 -3,-1.3 2,-0.5 -5,-0.1 -1,-0.3 0.658 89.4 69.9 -92.3 -23.1 10.4 -13.8 17.1 820 849 B T S < S- 0 0 101 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.1 -0.858 72.7-161.4-100.7 126.5 13.7 -12.4 18.4 821 850 B I - 0 0 71 -2,-0.5 -145,-0.0 -3,-0.0 -2,-0.0 -0.723 25.6-107.5-107.5 154.1 13.7 -8.7 19.4 822 851 B M - 0 0 51 -2,-0.3 2,-0.1 1,-0.0 -1,-0.0 -0.716 40.7-135.7 -75.9 118.3 16.5 -6.2 19.9 823 852 B P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.430 20.0-106.3 -76.4 152.7 16.9 -5.6 23.6 824 853 B F - 0 0 23 -2,-0.1 2,-0.4 2,-0.0 -144,-0.0 -0.624 34.6-175.7 -81.1 133.4 17.3 -2.1 25.1 825 854 B D > - 0 0 61 -2,-0.3 3,-1.1 1,-0.1 4,-0.2 -0.966 16.2-164.1-132.7 116.8 20.7 -1.1 26.3 826 855 B L G >> S+ 0 0 1 -2,-0.4 3,-1.4 1,-0.2 4,-0.7 0.659 81.9 78.0 -71.9 -18.0 21.2 2.3 28.0 827 856 B S G 34 S+ 0 0 42 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.682 83.4 66.2 -68.6 -18.0 25.0 2.1 27.6 828 857 B I G <4 S+ 0 0 113 -3,-1.1 -1,-0.3 1,-0.2 -354,-0.2 0.796 108.7 38.4 -65.8 -29.6 24.5 3.1 23.9 829 858 B Y T <4 S+ 0 0 24 -3,-1.4 2,-0.3 -4,-0.2 -561,-0.2 0.500 119.0 39.9-107.5 -7.3 23.3 6.5 25.1 830 859 B T < - 0 0 10 -4,-0.7 3,-0.3 -562,-0.1 -1,-0.2 -0.926 68.3-150.5-149.4 120.3 25.5 7.3 28.1 831 860 B N S S- 0 0 102 -2,-0.3 -3,-0.1 1,-0.2 -566,-0.1 -0.548 70.7 -4.4 -89.8 153.9 29.2 6.8 28.5 832 861 B D S S+ 0 0 171 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.825 94.7 149.5 32.0 72.0 31.2 6.1 31.7 833 862 B T - 0 0 42 -3,-0.3 4,-0.2 1,-0.1 -1,-0.1 -0.837 61.0-138.5-132.4 164.0 28.2 6.6 34.1 834 863 B I S > S+ 0 0 109 -2,-0.3 4,-0.8 2,-0.1 3,-0.3 0.536 100.1 72.4 -92.7 -13.1 26.7 5.5 37.4 835 864 B L H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.693 86.1 64.4 -74.1 -21.8 23.2 5.3 35.8 836 865 B I H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.834 96.0 57.8 -68.9 -33.6 24.3 2.2 33.9 837 866 B E H 4 S+ 0 0 138 -3,-0.3 4,-0.4 -4,-0.2 -1,-0.2 0.876 107.0 48.5 -62.2 -38.9 24.6 0.4 37.3 838 867 B M H >< S+ 0 0 21 -4,-0.8 3,-0.7 1,-0.2 4,-0.3 0.884 111.7 49.6 -65.8 -41.5 21.0 1.2 38.0 839 868 B F H >< S+ 0 0 21 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.868 103.8 57.8 -67.1 -39.5 20.0 -0.1 34.5 840 869 B N T 3< S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.586 93.5 70.3 -70.0 -9.9 21.8 -3.4 34.9 841 870 B K T < S+ 0 0 108 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.697 84.9 91.1 -75.5 -21.4 19.8 -4.1 38.0 842 871 B Y < 0 0 49 -3,-1.5 -3,-0.0 -4,-0.3 -75,-0.0 -0.453 360.0 360.0 -86.3 150.4 16.6 -4.6 35.9 843 872 B N 0 0 212 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.603 360.0 360.0 -69.3 360.0 15.3 -7.8 34.3