==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 06-JUN-05 2BTQ . COMPND 2 MOLECULE: TUBULIN BTUBA; . SOURCE 2 ORGANISM_SCIENTIFIC: PROSTHECOBACTER DEJONGEII; . AUTHOR D.SCHLIEPER,J.LOWE . 827 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 5.8 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 . 2 0.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 59 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 5 1 1 3 1 1 2 0 0 1 2 2 0 4 1 2 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 3 2 4 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 . 5 0 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 3 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 2 A K 0 0 162 0, 0.0 2,-0.3 0, 0.0 513,-0.1 0.000 360.0 360.0 360.0 125.1 45.9 -47.8 -19.0 2 3 A V - 0 0 12 514,-0.1 130,-0.3 47,-0.0 2,-0.1 -0.912 360.0 -87.9-142.5 166.7 48.0 -45.0 -17.7 3 4 A N - 0 0 11 -2,-0.3 2,-0.3 240,-0.1 130,-0.2 -0.430 40.0-130.9 -75.2 153.0 47.6 -41.3 -16.9 4 5 A N E -a 133 0A 1 128,-3.5 130,-2.2 -2,-0.1 2,-0.4 -0.787 16.0-162.9-107.4 151.0 48.2 -38.7 -19.5 5 6 A T E - 0 0 3 45,-2.1 2,-0.4 -2,-0.3 61,-0.3 -0.989 2.0-162.9-135.6 127.0 50.3 -35.6 -19.3 6 7 A I E -a 136 0A 0 129,-1.6 131,-2.2 -2,-0.4 2,-0.6 -0.898 9.4-152.1-108.5 136.2 50.2 -32.5 -21.5 7 8 A V E -ab 137 67A 4 59,-2.9 61,-1.4 -2,-0.4 2,-0.6 -0.848 8.7-171.5-116.5 102.8 53.1 -30.0 -21.6 8 9 A V E -ab 138 68A 0 129,-1.1 131,-2.5 -2,-0.6 2,-0.7 -0.777 7.4-163.8 -90.5 119.4 52.3 -26.4 -22.4 9 10 A S E -ab 139 69A 0 59,-2.6 61,-2.1 -2,-0.6 2,-0.3 -0.900 7.1-168.9-110.9 108.0 55.6 -24.4 -22.9 10 11 A I E + b 0 70A 0 129,-1.4 131,-0.5 -2,-0.7 4,-0.5 -0.692 45.9 4.3 -95.4 143.0 55.1 -20.7 -22.8 11 12 A G S > S- 0 0 3 59,-1.5 4,-0.7 -2,-0.3 59,-0.1 -0.351 93.5 -63.5 88.0-168.7 57.7 -18.1 -23.7 12 13 A Q H > S+ 0 0 105 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.947 129.1 38.4 -86.6 -62.6 61.2 -18.3 -25.1 13 14 A A H > S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.931 116.6 54.6 -54.0 -49.2 63.2 -20.1 -22.5 14 15 A G H > S+ 0 0 0 -4,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.942 111.5 44.0 -50.6 -52.5 60.2 -22.3 -21.8 15 16 A N H X S+ 0 0 0 -4,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.802 112.1 51.5 -66.1 -30.4 60.0 -23.3 -25.4 16 17 A Q H X S+ 0 0 69 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.931 114.1 43.7 -72.7 -41.9 63.7 -23.8 -25.8 17 18 A I H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.942 113.4 53.7 -63.1 -47.0 63.8 -26.1 -22.7 18 19 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.3 -2,-0.2 0.865 104.9 53.3 -55.4 -42.1 60.6 -27.8 -24.0 19 20 A A H X S+ 0 0 29 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.939 112.4 44.0 -61.1 -46.4 62.2 -28.5 -27.4 20 21 A S H X S+ 0 0 34 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.951 112.0 53.4 -62.0 -52.5 65.2 -30.2 -25.7 21 22 A F H X S+ 0 0 5 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.955 110.0 47.4 -45.4 -62.0 62.9 -32.1 -23.3 22 23 A W H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.824 111.0 50.0 -53.4 -37.7 60.8 -33.5 -26.1 23 24 A K H X S+ 0 0 125 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.938 113.1 48.0 -68.2 -42.4 63.8 -34.6 -28.2 24 25 A T H X S+ 0 0 23 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.959 112.8 45.8 -59.9 -54.6 65.3 -36.3 -25.2 25 26 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.904 109.4 57.8 -57.3 -41.2 62.1 -38.1 -24.2 26 27 A C H X>S+ 0 0 0 -4,-2.1 5,-2.6 -5,-0.3 4,-0.6 0.948 109.6 43.9 -53.4 -50.1 61.7 -39.1 -27.9 27 28 A L H ><5S+ 0 0 75 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.875 108.7 56.8 -65.8 -37.3 65.0 -40.8 -27.8 28 29 A E H 3<5S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.936 111.1 43.9 -60.5 -42.4 64.4 -42.5 -24.5 29 30 A H H 3<5S- 0 0 1 -4,-2.5 16,-2.3 -5,-0.2 -1,-0.2 0.536 119.6-107.4 -80.7 -4.3 61.3 -44.1 -25.8 30 31 A G T <<5S+ 0 0 25 -3,-0.8 9,-0.5 -4,-0.6 2,-0.4 0.909 73.0 136.8 79.7 42.9 62.9 -45.1 -29.1 31 32 A I < - 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 7,-0.2 -0.988 61.3-114.3-124.7 128.6 61.0 -42.6 -31.3 32 33 A D >> - 0 0 69 5,-3.3 4,-2.6 -2,-0.4 3,-1.6 -0.474 22.8-143.3 -63.0 119.2 62.8 -40.5 -34.1 33 34 A P T 34 S+ 0 0 17 0, 0.0 54,-0.2 0, 0.0 -1,-0.2 0.247 96.7 47.8 -69.8 14.1 62.5 -36.9 -32.8 34 35 A L T 34 S+ 0 0 83 3,-0.1 52,-1.7 52,-0.1 53,-0.2 0.353 124.3 23.8-130.5 -5.1 62.0 -35.7 -36.4 35 36 A T T <4 S- 0 0 36 -3,-1.6 3,-0.1 50,-0.2 28,-0.1 0.468 87.7-128.8-138.8 -13.7 59.3 -38.0 -37.6 36 37 A G < + 0 0 0 -4,-2.6 27,-2.7 1,-0.3 2,-0.3 0.564 69.0 128.5 70.8 7.6 57.5 -39.3 -34.5 37 38 A Q - 0 0 85 -5,-0.3 -5,-3.3 25,-0.2 -1,-0.3 -0.664 38.5-171.1 -99.7 153.7 58.1 -42.8 -35.9 38 39 A T - 0 0 30 23,-0.4 -7,-0.1 21,-0.3 3,-0.1 -0.672 49.8 -44.7-127.2-179.3 59.6 -45.9 -34.2 39 40 A A S > S- 0 0 55 -9,-0.5 3,-1.6 -2,-0.2 -1,-0.1 -0.217 72.9-101.2 -52.1 130.6 60.7 -49.3 -35.4 40 41 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.297 102.4 15.6 -58.2 135.0 58.1 -50.8 -37.8 41 42 A G T 3 S+ 0 0 74 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.155 112.1 80.2 91.2 -18.5 55.9 -53.4 -36.2 42 43 A V S < S- 0 0 86 -3,-1.6 -1,-0.2 17,-0.1 -4,-0.2 -0.756 73.5-120.9-118.8 165.2 56.7 -52.6 -32.6 43 44 A A - 0 0 49 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 -0.759 42.0 -87.1-103.4 152.7 55.6 -49.9 -30.1 44 45 A P - 0 0 7 0, 0.0 4,-0.4 0, 0.0 -14,-0.2 -0.129 55.1 -87.6 -56.0 153.2 57.9 -47.4 -28.4 45 46 A R S S- 0 0 131 -16,-2.3 3,-0.2 2,-0.1 -17,-0.0 -0.159 88.7 -1.5 -58.2 155.9 59.6 -48.4 -25.1 46 47 A G S S- 0 0 36 1,-0.2 2,-1.3 -3,-0.1 199,-0.2 -0.042 118.5 -31.4 60.9-161.7 57.8 -47.8 -21.8 47 48 A N > + 0 0 31 197,-2.7 3,-1.9 1,-0.2 4,-0.4 -0.608 65.9 164.4 -92.4 71.9 54.4 -46.1 -21.4 48 49 A W T 3> + 0 0 57 -2,-1.3 4,-3.2 -4,-0.4 3,-0.4 0.796 66.7 75.0 -57.7 -32.2 54.6 -43.8 -24.4 49 50 A S T 34 S+ 0 0 34 1,-0.2 -1,-0.3 -3,-0.2 5,-0.1 0.766 85.6 70.6 -51.4 -26.1 50.8 -43.3 -24.1 50 51 A S T <4 S+ 0 0 1 -3,-1.9 -45,-2.1 194,-0.2 -1,-0.2 0.976 120.9 4.0 -56.7 -65.4 51.8 -41.1 -21.2 51 52 A F T 4 S+ 0 0 0 -4,-0.4 15,-2.2 -3,-0.4 2,-0.3 0.525 125.4 66.3-102.2 -10.4 53.4 -38.2 -23.0 52 53 A F E < -G 65 0B 0 -4,-3.2 2,-0.4 13,-0.2 -47,-0.1 -0.805 66.0-143.0-115.6 158.8 52.7 -39.2 -26.6 53 54 A S E -G 64 0B 10 11,-1.7 11,-2.6 -2,-0.3 2,-0.5 -0.912 21.8-119.7-118.0 144.5 49.6 -39.6 -28.7 54 55 A K E -G 63 0B 65 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.740 27.0-171.9 -89.2 124.0 49.1 -42.3 -31.3 55 56 A L E +G 62 0B 105 7,-3.0 7,-1.9 -2,-0.5 2,-0.2 -0.965 56.3 3.8-117.9 124.5 48.4 -41.1 -34.8 56 57 A G S S- 0 0 45 -2,-0.5 -2,-0.0 5,-0.2 5,-0.0 -0.565 72.6-116.1 99.0-168.7 47.4 -43.6 -37.5 57 58 A E S S+ 0 0 173 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.528 85.8 56.1-143.4 -23.5 46.7 -47.3 -36.9 58 59 A S S S- 0 0 88 1,-0.0 -17,-0.0 0, 0.0 -2,-0.0 0.669 107.2 -80.4 -81.6-119.2 49.2 -49.5 -38.8 59 60 A S S S+ 0 0 49 -19,-0.1 -21,-0.3 -16,-0.0 -17,-0.1 0.391 123.7 74.9-126.2 -16.3 52.9 -49.1 -38.3 60 61 A S S S+ 0 0 101 -23,-0.1 -5,-0.0 -20,-0.1 -4,-0.0 0.516 79.2 119.6 -72.8 -5.4 53.2 -46.1 -40.6 61 62 A G - 0 0 5 1,-0.1 -23,-0.4 -24,-0.0 2,-0.3 -0.265 54.8-150.7 -62.5 147.0 51.6 -44.6 -37.5 62 63 A S E -G 55 0B 17 -7,-1.9 -7,-3.0 -25,-0.1 2,-0.4 -0.722 7.7-130.8-115.8 164.9 53.5 -41.8 -35.8 63 64 A Y E -G 54 0B 14 -27,-2.7 -9,-0.2 -2,-0.3 -28,-0.0 -0.974 21.7-162.6-118.5 133.1 53.6 -40.7 -32.2 64 65 A V E -G 53 0B 14 -11,-2.6 -11,-1.7 -2,-0.4 24,-0.1 -0.966 23.0-109.0-125.6 128.4 53.1 -37.1 -31.3 65 66 A P E -G 52 0B 1 0, 0.0 2,-1.2 0, 0.0 24,-0.2 0.028 22.0-126.4 -44.2 149.0 53.9 -35.3 -28.1 66 67 A R S S+ 0 0 10 -15,-2.2 -59,-2.9 -61,-0.3 2,-0.4 -0.576 72.1 126.3 -96.5 64.0 51.1 -34.1 -25.9 67 68 A A E -b 7 0A 1 -2,-1.2 2,-0.4 -61,-0.2 22,-0.3 -0.963 46.6-164.3-131.7 147.6 52.6 -30.7 -26.0 68 69 A I E -b 8 0A 0 -61,-1.4 -59,-2.6 -2,-0.4 2,-0.5 -0.996 10.6-157.3-128.1 127.9 51.5 -27.2 -26.9 69 70 A M E -bc 9 93A 0 23,-2.8 25,-1.0 -2,-0.4 2,-0.4 -0.934 14.0-179.9-111.1 125.4 54.0 -24.4 -27.6 70 71 A V E +bc 10 94A 0 -61,-2.1 -59,-1.5 -2,-0.5 2,-0.3 -0.961 10.7 150.1-124.6 141.2 52.9 -20.8 -27.1 71 72 A D E - c 0 95A 4 23,-0.9 25,-1.2 -2,-0.4 28,-0.1 -0.885 43.4-137.0-168.8 136.6 54.9 -17.6 -27.6 72 73 A L S S+ 0 0 4 -2,-0.3 27,-1.9 23,-0.2 23,-0.1 0.447 93.4 56.5 -77.8 2.4 54.2 -14.0 -28.7 73 74 A E S >> S- 0 0 63 25,-0.2 4,-0.6 1,-0.1 3,-0.6 -0.999 72.5-143.9-136.3 136.0 57.3 -13.9 -30.9 74 75 A P H 3>>S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.5 0.723 76.7 96.2 -69.5 -28.1 58.2 -16.3 -33.8 75 76 A S H 3>5S+ 0 0 76 1,-0.2 4,-0.6 3,-0.2 22,-0.0 0.777 97.1 26.9 -32.3 -49.3 62.0 -16.4 -33.2 76 77 A V H <>5S+ 0 0 9 -3,-0.6 4,-2.7 2,-0.2 3,-0.2 0.937 121.6 45.7 -88.6 -55.3 61.8 -19.7 -31.2 77 78 A I H X5S+ 0 0 0 -4,-0.6 4,-2.7 1,-0.2 5,-0.3 0.956 112.4 55.8 -53.6 -47.7 58.7 -21.6 -32.3 78 79 A D H X5S+ 0 0 78 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.882 110.1 46.1 -49.7 -42.0 59.7 -20.9 -35.9 79 80 A N H X< S- 0 0 12 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.437 79.4-153.6-105.9 4.6 61.8 -30.8 -35.2 85 86 A G T 3 - 0 0 42 -3,-0.4 3,-0.4 -4,-0.4 -1,-0.2 -0.189 67.2 -32.7 55.8-154.6 60.7 -32.3 -38.5 86 87 A S T 3 S+ 0 0 82 -52,-1.7 -1,-0.2 1,-0.2 -51,-0.2 0.205 106.3 116.7 -83.2 19.6 57.1 -33.5 -38.4 87 88 A L < + 0 0 3 -3,-1.8 -1,-0.2 -54,-0.2 -2,-0.1 0.943 65.5 46.3 -50.3 -67.1 57.4 -34.4 -34.7 88 89 A F S S- 0 0 14 -3,-0.4 5,-0.1 -24,-0.1 -20,-0.1 -0.235 95.2 -97.4 -77.9 165.9 54.9 -32.0 -33.1 89 90 A N > - 0 0 33 -22,-0.3 3,-2.7 -24,-0.2 -1,-0.1 -0.757 31.5-143.3 -84.2 114.1 51.3 -31.3 -34.2 90 91 A P G > S+ 0 0 105 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.831 99.1 58.7 -46.7 -40.4 51.6 -28.1 -36.2 91 92 A A G 3 S+ 0 0 48 1,-0.3 3,-0.1 -3,-0.1 31,-0.1 0.350 99.1 62.9 -73.9 8.0 48.3 -26.7 -34.9 92 93 A N G < S+ 0 0 0 -3,-2.7 -23,-2.8 1,-0.1 2,-0.4 0.169 81.7 83.5-115.2 11.4 49.9 -27.0 -31.4 93 94 A L E < -c 69 0A 16 -3,-1.7 2,-0.2 -25,-0.2 -23,-0.2 -0.610 64.2-174.5-116.1 69.8 52.6 -24.5 -32.1 94 95 A I E +c 70 0A 1 -25,-1.0 -23,-0.9 -2,-0.4 2,-0.3 -0.455 11.0 166.0 -67.8 128.9 50.9 -21.1 -31.4 95 96 A S E -c 71 0A 33 -2,-0.2 2,-0.2 -25,-0.2 -23,-0.2 -0.944 16.6-167.2-142.1 162.8 53.0 -18.1 -32.2 96 97 A R - 0 0 53 -25,-1.2 0, 0.0 -2,-0.3 0, 0.0 -0.794 18.8-130.2-139.1-177.7 52.7 -14.3 -32.7 97 98 A T S S+ 0 0 121 -2,-0.2 -22,-0.1 -24,-0.2 -1,-0.1 0.869 86.4 55.7-109.1 -48.7 54.6 -11.3 -34.0 98 99 A E S S- 0 0 192 1,-0.1 3,-0.2 -25,-0.1 -25,-0.2 0.738 84.2-152.2 -64.8 -24.4 54.9 -8.2 -31.8 99 100 A G - 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d 0 171A 0 30,-1.9 32,-2.4 -2,-0.6 2,-0.8 -0.997 58.9-108.3-164.6 164.5 58.1 -21.3 -18.6 141 142 A A > - 0 0 22 -131,-0.5 3,-1.2 -2,-0.3 7,-0.3 -0.876 21.9-161.2-105.1 107.1 60.6 -18.6 -17.5 142 143 A I T 3 S+ 0 0 0 -2,-0.8 49,-0.3 30,-0.5 31,-0.1 0.567 79.1 75.9 -63.0 -7.9 58.8 -16.4 -14.9 143 144 A G T 3 S+ 0 0 10 29,-0.8 45,-0.3 44,-0.1 44,-0.3 0.749 88.5 50.6 -81.7 -24.4 61.5 -13.7 -15.6 144 145 A G S < S- 0 0 27 -3,-1.2 -40,-0.2 43,-0.1 37,-0.0 0.288 91.7 -95.3 -90.8-142.8 60.4 -12.2 -18.9 145 146 A G S > S+ 0 0 5 -42,-0.2 4,-2.9 3,-0.1 5,-0.4 0.815 110.7 39.3-107.5 -50.5 57.1 -10.9 -20.2 146 147 A T H >>S+ 0 0 16 3,-0.2 5,-1.6 2,-0.2 4,-1.5 0.964 119.8 43.2 -66.0 -57.1 55.4 -13.7 -22.1 147 148 A G H 45S+ 0 0 4 3,-0.2 5,-0.3 1,-0.2 -1,-0.2 0.882 123.1 39.6 -58.0 -40.7 56.3 -16.6 -19.8 148 149 A S H >5S+ 0 0 0 -7,-0.3 4,-2.0 3,-0.2 -2,-0.2 0.948 126.3 35.0 -74.4 -48.4 55.4 -14.5 -16.8 149 150 A G H X5S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -3,-0.2 0.996 128.3 30.2 -70.6 -68.4 52.4 -12.8 -18.3 150 151 A F H X5S+ 0 0 0 -4,-1.5 4,-4.4 -5,-0.4 5,-0.3 0.885 117.4 63.7 -60.2 -36.1 50.7 -15.3 -20.5 151 152 A G H >X S+ 0 0 17 -4,-1.9 4,-2.5 1,-0.2 3,-0.6 0.802 110.6 59.7 -78.4 -26.2 42.1 -19.8 -17.0 158 159 A L H 3X>S+ 0 0 3 -4,-1.5 5,-0.8 -5,-0.2 4,-0.7 0.753 108.2 45.1 -71.3 -23.9 43.3 -23.4 -17.0 159 160 A K H 3<5S+ 0 0 62 -4,-0.8 -1,-0.2 3,-0.2 -2,-0.2 0.481 114.4 48.3 -98.4 -2.7 42.2 -23.7 -13.4 160 161 A E H <45S+ 0 0 162 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.855 119.0 34.7 -98.0 -53.1 38.8 -22.0 -14.0 161 162 A K H <5S+ 0 0 126 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.945 140.9 10.0 -66.3 -51.4 37.7 -23.9 -17.0 162 163 A Y T <5 + 0 0 45 -4,-0.7 -3,-0.2 -5,-0.5 -4,-0.1 0.604 69.0 148.6 -96.0-109.7 39.2 -27.2 -16.0 163 164 A G < + 0 0 23 -5,-0.8 -4,-0.1 2,-0.2 -1,-0.1 0.137 58.2 83.8 100.7 -28.5 40.6 -27.4 -12.4 164 165 A E S S+ 0 0 119 2,-0.1 -5,-0.1 0, 0.0 -1,-0.0 0.617 82.8 83.6 -81.7 -11.4 40.0 -31.0 -11.7 165 166 A I S S- 0 0 5 -7,-0.2 2,-0.2 -30,-0.0 -2,-0.2 -0.748 87.1-122.5 -91.9 134.8 43.3 -31.4 -13.5 166 167 A P - 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0 0 0 -5,-1.9 -2,-0.2 -4,-0.3 -1,-0.1 -0.852 54.5-158.7-137.2 98.0 36.3 -34.6 2.8 811 404 B S > - 0 0 55 -2,-0.4 4,-2.4 -5,-0.1 5,-0.1 -0.194 31.5-109.3 -71.3 166.8 36.3 -31.6 5.1 812 405 B R H > S+ 0 0 38 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.861 120.7 55.5 -65.2 -33.8 38.5 -31.4 8.2 813 406 B D H > S+ 0 0 131 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.942 106.7 48.9 -63.8 -45.6 35.4 -31.8 10.3 814 407 B M H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.953 114.8 46.2 -57.7 -47.5 34.5 -35.0 8.6 815 408 B M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 111.7 50.7 -59.9 -47.9 38.1 -36.1 9.1 816 409 B A H X S+ 0 0 22 -4,-3.8 4,-3.6 1,-0.2 5,-0.2 0.904 108.7 51.9 -56.4 -43.9 38.0 -35.0 12.7 817 410 B K H X S+ 0 0 145 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.957 107.2 53.5 -57.6 -49.6 34.8 -36.9 13.3 818 411 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.920 114.4 41.7 -51.0 -48.4 36.5 -40.0 11.8 819 412 B R H X S+ 0 0 56 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.964 112.3 52.2 -64.3 -53.8 39.3 -39.6 14.3 820 413 B N H X S+ 0 0 85 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.854 112.0 48.7 -50.6 -38.8 37.1 -38.7 17.3 821 414 B Q H X S+ 0 0 63 -4,-3.0 4,-2.5 -5,-0.2 3,-0.2 0.965 112.2 45.3 -68.8 -52.0 35.1 -41.9 16.5 822 415 B I H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.818 108.9 59.5 -60.7 -28.9 38.1 -44.2 16.2 823 416 B A H X S+ 0 0 27 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.935 107.6 44.6 -63.3 -45.8 39.4 -42.5 19.4 824 417 B T H X S+ 0 0 84 -4,-1.7 4,-3.8 -3,-0.2 -2,-0.2 0.935 106.9 59.0 -62.6 -49.0 36.3 -43.7 21.2 825 418 B L H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.892 112.6 41.0 -46.4 -46.0 36.5 -47.1 19.7 826 419 B A H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.920 112.2 52.4 -71.2 -46.2 40.0 -47.5 21.3 827 420 B Q H X S+ 0 0 105 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.896 108.7 56.0 -54.3 -39.9 39.0 -45.8 24.5 828 421 B S H X S+ 0 0 47 -4,-3.8 4,-1.7 2,-0.2 -2,-0.2 0.979 107.9 43.8 -53.9 -64.7 36.2 -48.4 24.5 829 422 B Y H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.862 113.7 55.4 -50.2 -38.7 38.5 -51.3 24.2 830 423 B R H >< S+ 0 0 56 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.931 107.6 44.4 -64.3 -48.3 40.7 -49.7 26.9 831 424 B D H 3< S+ 0 0 124 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.717 103.5 67.6 -70.1 -19.8 38.0 -49.3 29.5 832 425 B A H 3< 0 0 25 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.728 360.0 360.0 -71.4 -21.7 36.8 -52.9 28.8 833 426 B S << 0 0 63 -3,-1.1 -115,-0.1 -4,-0.6 -87,-0.1 -0.264 360.0 360.0 -68.0 360.0 40.1 -54.1 30.3