==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-NOV-11 3UQC . COMPND 2 MOLECULE: PROBABLE CONSERVED TRANSMEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.ALBER,C.L.GEE,S.R.BLAIR,TB STRUCTURAL GENOMICS CONSORTIUM . 989 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 83 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 4 4 0 0 0 0 0 4 2 2 1 3 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 8 0 5 7 2 2 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 0 3 1 4 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 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 16 A V 0 0 97 0, 0.0 2,-0.4 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 135.1 6.3 1.2 -13.0 2 17 A Q - 0 0 155 2,-0.1 2,-0.9 0, 0.0 83,-0.0 -0.973 360.0-143.5-115.7 132.9 6.8 -1.7 -10.7 3 18 A L + 0 0 30 -2,-0.4 16,-0.0 4,-0.0 3,-0.0 -0.832 48.4 129.4 -99.1 105.1 7.4 -1.2 -7.0 4 19 A V > - 0 0 70 -2,-0.9 3,-2.2 12,-0.0 12,-0.2 -0.928 68.6 -66.5-145.7 160.9 9.8 -3.9 -6.0 5 20 A P T 3 S+ 0 0 90 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.288 122.0 26.7 -52.0 136.2 13.1 -4.0 -4.1 6 21 A G T 3 S+ 0 0 19 10,-3.0 11,-0.1 1,-0.3 -3,-0.0 0.146 84.1 139.8 97.4 -19.2 15.8 -2.2 -6.2 7 22 A A < - 0 0 19 -3,-2.2 9,-2.4 8,-0.1 2,-0.5 -0.289 49.4-132.8 -59.1 141.2 13.5 0.0 -8.1 8 23 A R E -A 15 0A 148 7,-0.2 2,-0.3 -3,-0.1 7,-0.2 -0.888 27.4-168.6-100.9 124.4 14.8 3.6 -8.6 9 24 A I E >> +A 14 0A 6 5,-3.1 5,-2.5 -2,-0.5 4,-0.5 -0.820 51.1 16.1-117.4 149.9 12.3 6.3 -7.8 10 25 A A T >45S- 0 0 24 -2,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.981 137.7 -30.3 59.4 70.7 12.1 10.1 -8.4 11 26 A N T 345S- 0 0 181 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.814 117.2 -63.1 57.8 30.8 14.7 10.8 -11.0 12 27 A G T 345S+ 0 0 33 2,-0.1 -1,-0.3 -4,-0.1 -2,-0.2 0.528 108.4 123.0 77.2 7.3 16.7 7.8 -9.6 13 28 A R T <<5 + 0 0 51 -3,-1.7 21,-3.2 -4,-0.5 22,-0.4 0.868 64.6 51.7 -69.8 -37.6 17.1 9.5 -6.2 14 29 A Y E < -AB 9 33A 7 -5,-2.5 -5,-3.1 19,-0.2 2,-0.6 -0.861 63.5-160.9-109.5 135.4 15.5 6.7 -4.1 15 30 A R E -AB 8 32A 100 17,-2.4 17,-2.3 -2,-0.4 -7,-0.2 -0.951 22.8-130.5-113.7 115.1 16.3 3.0 -4.2 16 31 A L E + B 0 31A 1 -9,-2.4 -10,-3.0 -2,-0.6 15,-0.2 -0.373 33.3 166.1 -64.9 137.1 13.7 0.8 -2.7 17 32 A L E + 0 0 57 13,-2.8 2,-0.4 1,-0.3 14,-0.2 0.742 58.1 10.1-112.7 -64.4 14.9 -1.7 -0.2 18 33 A I E - B 0 30A 85 12,-1.6 12,-2.9 -13,-0.1 2,-0.5 -0.981 60.6-135.0-133.7 128.7 12.2 -3.4 1.8 19 34 A F E - B 0 29A 36 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.698 16.8-175.8 -82.3 120.6 8.4 -3.3 1.5 20 35 A H E - 0 0 38 8,-2.7 2,-0.2 -2,-0.5 9,-0.2 0.278 39.8-119.1 -98.9 7.5 6.7 -2.8 4.9 21 36 A G E - B 0 28A 0 7,-0.5 7,-3.9 166,-0.0 -1,-0.3 -0.592 33.9-166.7 95.7-154.4 3.1 -3.1 3.7 22 37 A G B -F 188 0B 0 166,-1.8 166,-1.9 5,-0.2 5,-0.2 -0.866 32.4 -79.2 153.2 177.5 0.3 -0.6 3.8 23 38 A V S > S- 0 0 42 -2,-0.3 3,-1.8 164,-0.2 4,-0.1 -0.931 75.8 -76.5-112.7 106.3 -3.4 0.1 3.5 24 39 A P T 3 S+ 0 0 85 0, 0.0 163,-0.1 0, 0.0 3,-0.1 -0.045 121.5 23.3 -49.2 139.6 -4.3 0.3 -0.2 25 40 A P T 3 S+ 0 0 23 0, 0.0 23,-0.1 0, 0.0 24,-0.1 -0.991 116.3 81.7 -71.4 -14.7 -3.7 2.5 -2.1 26 41 A L < - 0 0 4 -3,-1.8 2,-0.4 20,-0.1 19,-0.2 -0.234 57.3-169.7 -61.2 135.9 -1.0 3.4 0.4 27 42 A Q E - C 0 44A 39 17,-2.0 17,-2.3 -5,-0.2 2,-0.6 -0.993 10.3-150.7-126.7 129.4 2.4 1.6 0.3 28 43 A F E +BC 21 43A 0 -7,-3.9 -8,-2.7 -2,-0.4 -7,-0.5 -0.862 22.9 178.6 -98.5 121.9 5.0 1.8 3.0 29 44 A W E -BC 19 42A 8 13,-3.3 13,-3.1 -2,-0.6 2,-0.6 -0.937 29.2-140.5-125.8 147.4 8.6 1.4 1.8 30 45 A Q E +BC 18 41A 25 -12,-2.9 -13,-2.8 -2,-0.3 -12,-1.6 -0.923 40.4 169.9 -97.8 122.6 12.1 1.4 3.3 31 46 A A E -BC 16 40A 0 9,-2.8 9,-3.0 -2,-0.6 2,-0.5 -0.858 34.5-123.1-134.5 166.7 14.5 3.1 0.9 32 47 A L E -BC 15 39A 45 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.8 -0.946 20.0-137.7-111.7 128.2 17.9 4.5 0.5 33 48 A D E >> -BC 14 38A 2 5,-3.6 4,-1.2 -2,-0.5 5,-1.1 -0.770 16.0-164.2 -84.3 115.0 18.4 8.1 -0.6 34 49 A T T 45S+ 0 0 73 -21,-3.2 -1,-0.2 -2,-0.8 -20,-0.1 0.641 83.2 52.6 -81.9 -15.9 21.2 7.8 -3.1 35 50 A A T 45S+ 0 0 57 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.884 123.8 26.3 -79.7 -44.3 22.1 11.5 -3.2 36 51 A L T 45S- 0 0 3 2,-0.2 -2,-0.2 -23,-0.2 -1,-0.1 0.445 100.7-132.1 -98.1 -2.3 22.5 11.9 0.6 37 52 A D T <5 + 0 0 97 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.942 66.3 108.1 44.3 63.8 23.4 8.2 1.2 38 53 A R E + 0 0 14 41,-0.6 3,-1.3 39,-0.2 -1,-0.2 -0.450 62.6 168.4-146.6 67.7 -1.4 6.1 -5.1 47 62 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.826 86.5 39.1 -54.5 -38.6 0.9 3.7 -7.1 48 63 A Q T 3 S- 0 0 159 -23,-0.1 38,-0.1 38,-0.0 -2,-0.0 0.490 108.2-122.4 -92.0 -4.5 -1.9 2.5 -9.4 49 64 A G < + 0 0 53 -3,-1.3 4,-0.1 36,-0.2 -3,-0.1 0.807 65.0 139.4 71.5 32.8 -3.5 5.9 -9.8 50 65 A V + 0 0 107 2,-0.1 -1,-0.1 -25,-0.0 -4,-0.0 0.599 40.1 98.4 -84.3 -13.0 -6.9 4.7 -8.5 51 66 A L S S- 0 0 29 -5,-0.1 2,-0.2 1,-0.1 -5,-0.0 -0.480 80.3-115.2 -77.4 143.6 -7.6 7.8 -6.5 52 67 A P >> - 0 0 75 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.589 32.0-118.7 -66.2 141.4 -9.8 10.7 -7.7 53 68 A D H 3> S+ 0 0 116 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.859 115.4 59.8 -53.9 -36.1 -7.5 13.7 -8.0 54 69 A D H 3> S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.894 106.5 45.4 -55.5 -44.3 -9.7 15.4 -5.4 55 70 A V H <> S+ 0 0 34 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.892 112.5 51.4 -69.9 -40.0 -8.9 12.7 -2.9 56 71 A L H X S+ 0 0 19 -4,-2.2 4,-2.4 2,-0.2 3,-0.2 0.957 109.7 49.8 -56.8 -51.9 -5.2 12.8 -3.7 57 72 A Q H X S+ 0 0 91 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.886 109.8 49.0 -58.8 -43.8 -5.0 16.5 -3.2 58 73 A E H X S+ 0 0 70 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.834 110.3 53.7 -66.8 -31.1 -6.8 16.5 0.2 59 74 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.2 97,-0.6 0.944 110.7 44.2 -65.9 -49.8 -4.4 13.7 1.2 60 75 A L H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.897 114.9 50.7 -61.3 -41.0 -1.3 15.7 0.3 61 76 A S H X S+ 0 0 59 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.948 112.4 44.5 -61.6 -51.1 -2.8 18.8 2.0 62 77 A R H X S+ 0 0 63 -4,-2.5 4,-2.2 94,-0.3 -1,-0.2 0.885 113.4 51.5 -62.2 -38.7 -3.6 17.0 5.2 63 78 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 93,-0.3 -1,-0.2 0.871 108.9 51.0 -66.6 -38.0 -0.2 15.4 5.2 64 79 A L H X S+ 0 0 32 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.909 108.8 51.0 -64.4 -42.5 1.5 18.8 4.7 65 80 A R H < S+ 0 0 92 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.911 112.0 47.9 -60.3 -41.4 -0.5 20.2 7.6 66 81 A L H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.836 104.3 61.4 -65.2 -34.7 0.7 17.2 9.7 67 82 A S H 3< S+ 0 0 9 -4,-1.9 10,-0.3 1,-0.3 -1,-0.2 0.832 92.8 63.6 -64.8 -33.5 4.3 17.7 8.5 68 83 A R T 3< S+ 0 0 106 -4,-1.4 2,-0.5 -3,-0.3 -1,-0.3 0.666 83.3 93.4 -68.0 -16.2 4.5 21.2 10.1 69 84 A I < - 0 0 26 -3,-1.2 2,-0.7 -4,-0.3 57,-0.0 -0.692 65.9-158.1 -78.5 122.6 4.0 19.6 13.5 70 85 A D + 0 0 117 -2,-0.5 5,-0.1 6,-0.1 -2,-0.1 -0.881 34.9 130.5-109.3 105.3 7.4 18.9 15.1 71 86 A K > - 0 0 76 -2,-0.7 3,-1.5 3,-0.4 -2,-0.0 -0.983 65.5-117.6-148.2 151.2 7.3 16.2 17.7 72 87 A P T 3 S+ 0 0 84 0, 0.0 47,-0.1 0, 0.0 46,-0.1 0.706 110.1 71.1 -60.9 -18.3 9.2 13.0 18.5 73 88 A G T 3 S+ 0 0 0 45,-0.4 78,-2.7 77,-0.1 2,-0.4 0.663 98.1 50.0 -75.4 -17.8 6.0 11.1 17.9 74 89 A V B < S-g 151 0C 10 -3,-1.5 -3,-0.4 76,-0.2 78,-0.1 -0.983 85.9-121.8-126.3 130.8 6.0 11.8 14.2 75 90 A A - 0 0 2 76,-2.3 2,-0.2 -2,-0.4 18,-0.1 -0.407 42.6-103.5 -63.7 144.1 8.8 11.2 11.7 76 91 A R - 0 0 33 1,-0.1 16,-2.1 -2,-0.1 2,-0.7 -0.475 27.1-123.6 -76.4 142.3 9.8 14.4 10.0 77 92 A V E -E 91 0A 1 -10,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.750 26.7-179.9 -90.6 115.4 8.7 14.9 6.4 78 93 A L E - 0 0 17 12,-2.1 2,-0.3 -2,-0.7 13,-0.2 0.868 63.5 -11.0 -81.4 -42.4 11.6 15.6 4.1 79 94 A D E -E 90 0A 17 11,-1.7 11,-2.9 700,-0.1 2,-0.4 -0.993 44.6-150.3-156.4 155.5 9.8 16.0 0.8 80 95 A V E +E 89 0A 23 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.954 36.4 169.1-128.7 113.0 6.4 15.5 -1.0 81 96 A V E -E 88 0A 35 7,-2.3 7,-2.6 -2,-0.4 2,-0.6 -0.859 38.4-127.3-129.4 156.4 6.9 14.8 -4.6 82 97 A H E +E 87 0A 126 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.917 42.7 170.0 -99.8 121.0 5.0 13.7 -7.7 83 98 A T E > -E 86 0A 26 3,-2.0 3,-2.1 -2,-0.6 -74,-0.0 -0.625 53.0 -87.8-123.8-178.7 6.8 10.8 -9.3 84 99 A R T 3 S+ 0 0 191 1,-0.3 3,-0.1 -2,-0.2 -75,-0.0 0.737 130.7 50.1 -63.9 -23.2 6.3 8.2 -12.0 85 100 A A T 3 S- 0 0 5 1,-0.4 -1,-0.3 -83,-0.0 -39,-0.2 0.267 121.8-110.1 -94.8 6.4 4.7 6.0 -9.3 86 101 A G E < S+ E 0 83A 25 -3,-2.1 -3,-2.0 -41,-0.1 -1,-0.4 -0.546 72.0 4.4 99.2-165.1 2.4 8.9 -8.3 87 102 A G E - E 0 82A 2 -5,-0.2 -42,-2.2 -2,-0.2 -41,-0.6 -0.265 66.6-165.6 -56.8 139.1 2.4 11.0 -5.1 88 103 A L E -DE 44 81A 0 -7,-2.6 -7,-2.3 -44,-0.2 2,-0.7 -0.988 15.3-158.6-136.6 125.2 5.3 10.3 -2.7 89 104 A V E -DE 43 80A 0 -46,-2.8 -46,-2.6 -2,-0.4 2,-0.6 -0.912 14.0-163.4-102.7 114.0 5.8 11.2 0.9 90 105 A V E +DE 42 79A 0 -11,-2.9 -12,-2.1 -2,-0.7 -11,-1.7 -0.864 14.1 174.2 -98.5 119.1 9.4 11.1 1.9 91 106 A A E -DE 41 77A 1 -50,-3.1 -50,-1.5 -2,-0.6 -14,-0.2 -0.705 38.1 -87.8-114.6 174.5 10.1 11.0 5.7 92 107 A E E -D 40 0A 45 -16,-2.1 2,-0.4 -2,-0.2 -52,-0.2 -0.488 47.8-108.6 -75.6 149.0 13.2 10.6 7.7 93 108 A W - 0 0 34 -54,-0.9 2,-0.7 -2,-0.1 -1,-0.1 -0.663 25.8-143.8 -82.1 134.2 14.2 7.0 8.6 94 109 A I - 0 0 21 -2,-0.4 2,-0.2 58,-0.1 49,-0.1 -0.870 12.4-138.1-101.6 110.5 13.6 6.0 12.2 95 110 A R + 0 0 158 -2,-0.7 50,-2.0 47,-0.1 51,-0.3 -0.460 68.7 68.2 -70.2 136.4 16.3 3.7 13.5 96 111 A G E S-H 144 0C 41 48,-0.3 2,-0.3 -2,-0.2 48,-0.2 -0.950 87.2 -68.7 152.2-147.8 14.8 1.0 15.6 97 112 A G E -H 143 0C 12 46,-2.1 46,-3.0 -2,-0.3 -3,-0.0 -0.948 49.7 -86.2-142.7 166.4 12.5 -1.9 14.7 98 113 A S E > -H 142 0C 11 -2,-0.3 4,-2.2 44,-0.2 5,-0.3 -0.225 41.1-108.1 -67.4 160.7 8.9 -2.2 13.5 99 114 A L H > S+ 0 0 0 42,-1.4 4,-2.6 39,-0.5 5,-0.2 0.905 122.1 50.4 -52.9 -43.0 6.0 -2.4 15.9 100 115 A Q H > S+ 0 0 29 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.850 107.5 52.2 -68.9 -36.2 5.6 -6.1 15.0 101 116 A E H 4 S+ 0 0 119 2,-0.2 3,-0.4 1,-0.2 4,-0.2 0.956 114.5 41.7 -63.6 -50.9 9.3 -6.8 15.6 102 117 A V H >< S+ 0 0 34 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.929 110.7 56.6 -61.2 -47.0 9.4 -5.3 19.1 103 118 A A H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.791 99.0 62.4 -56.6 -28.4 6.0 -6.8 20.0 104 119 A D T 3< S+ 0 0 114 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.572 94.0 62.8 -76.0 -9.1 7.4 -10.2 19.2 105 120 A T T < S- 0 0 96 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.322 104.8-126.7 -95.8 5.7 10.0 -9.7 22.0 106 121 A S < - 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0 0 8 -5,-1.8 -2,-0.2 -8,-0.2 -1,-0.2 -0.981 62.2-125.1-148.6 141.7 24.6 15.9 60.7 627 147 C A - 0 0 6 -2,-0.3 28,-0.1 28,-0.2 -66,-0.1 -0.514 8.0-143.4 -79.7 150.7 24.9 12.6 58.8 628 148 C L - 0 0 0 -2,-0.2 22,-0.3 29,-0.1 3,-0.2 0.668 33.8-142.6 -80.6 -18.8 21.8 10.6 57.6 629 149 C S - 0 0 6 1,-0.2 2,-1.7 27,-0.1 3,-0.1 0.959 24.6-177.3 58.1 57.2 23.8 7.5 58.4 630 150 C I + 0 0 6 1,-0.2 -1,-0.2 19,-0.0 33,-0.1 -0.680 25.3 146.7 -89.3 97.1 22.6 5.3 55.6 631 151 C D + 0 0 67 -2,-1.7 50,-0.3 1,-0.2 -1,-0.2 0.340 56.1 21.9-105.2 -0.9 24.6 2.3 56.8 632 152 C H S > S- 0 0 0 -3,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.965 73.6-111.2-175.8 140.5 22.4 -0.6 55.8 633 153 C P G > S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 -39,-0.5 0.852 112.9 63.4 -53.5 -39.0 19.6 -1.6 53.5 634 154 C S G 3 S+ 0 0 20 1,-0.3 13,-0.0 49,-0.2 50,-0.0 0.617 89.6 67.6 -67.3 -13.5 17.1 -1.9 56.4 635 155 C R G < S+ 0 0 0 -3,-1.9 12,-2.6 12,-0.1 13,-1.0 0.745 95.5 77.6 -68.3 -23.0 17.5 1.8 57.1 636 156 C V E < + E 0 646L 0 -3,-1.9 -42,-2.0 -4,-0.4 -41,-0.3 -0.662 51.1 171.3-107.3 142.8 15.7 2.5 53.8 637 157 C R E -DE 593 645L 12 8,-2.2 8,-3.1 -2,-0.3 2,-0.5 -0.934 25.1-135.5-135.0 160.9 12.2 2.3 52.4 638 158 C V E -DE 592 644L 12 -46,-3.0 -46,-1.7 -2,-0.3 6,-0.2 -0.984 25.7-134.7-118.8 120.6 10.5 3.4 49.2 639 159 C S E > -D 591 0L 16 4,-2.7 3,-2.5 -2,-0.5 -48,-0.3 -0.260 24.5-110.0 -70.7 159.1 7.2 5.2 49.6 640 160 C I T 3 S+ 0 0 100 -50,-2.0 -49,-0.1 1,-0.3 -1,-0.1 0.735 121.9 61.6 -55.8 -22.7 4.1 4.4 47.5 641 161 C D T 3 S- 0 0 133 -51,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.331 123.4-105.4 -90.1 4.3 4.9 7.8 45.9 642 162 C G S < S+ 0 0 32 -3,-2.5 2,-0.5 1,-0.2 -2,-0.1 0.775 72.8 138.3 81.1 28.5 8.2 6.6 44.6 643 163 C D - 0 0 51 -4,-0.1 -4,-2.7 -31,-0.1 2,-0.4 -0.930 49.6-137.8-106.0 124.7 10.5 8.3 47.1 644 164 C V E - E 0 638L 0 -34,-2.3 2,-0.3 -2,-0.5 -6,-0.2 -0.691 35.8-177.1 -73.6 128.5 13.5 6.5 48.6 645 165 C V E - E 0 637L 2 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.9 -0.965 38.1-119.3-133.2 143.5 13.5 7.6 52.2 646 166 C L E -cE 569 636L 0 -78,-2.4 -76,-2.7 -2,-0.3 -10,-0.2 -0.772 37.0-175.8 -79.4 114.1 15.7 7.0 55.3 647 167 C A + 0 0 1 -12,-2.6 -1,-0.2 -2,-0.9 -11,-0.2 0.763 66.6 41.0 -84.0 -31.0 13.0 5.3 57.4 648 168 C Y S S- 0 0 4 -13,-1.0 -1,-0.2 -3,-0.1 2,-0.2 -0.635 75.9-164.6-124.9 71.5 14.7 4.8 60.7 649 169 C P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 -111,-0.1 -0.419 28.9 138.4 -64.5 124.7 16.8 7.8 61.6 650 170 C A - 0 0 0 -22,-0.3 2,-0.7 -2,-0.2 -95,-0.1 -0.766 32.2-158.1-148.0 129.2 19.4 7.5 64.3 651 171 C T - 0 0 0 -97,-0.6 -93,-0.3 -2,-0.2 -94,-0.2 -0.867 8.0-160.6-111.6 110.0 22.8 9.1 63.8 652 172 C M > - 0 0 25 -2,-0.7 3,-2.0 -95,-0.1 -25,-0.1 -0.505 33.5-105.7 -84.5 154.9 25.6 7.6 65.9 653 173 C P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -102,-0.0 0.730 116.7 57.3 -52.1 -29.3 28.8 9.6 66.6 654 174 C D T 3 S+ 0 0 123 2,-0.0 2,-0.1 0, 0.0 -3,-0.0 0.639 83.0 100.6 -82.4 -15.9 30.8 7.4 64.1 655 175 C A < - 0 0 14 -3,-2.0 -28,-0.2 -28,-0.1 -4,-0.0 -0.421 54.1-169.7 -71.1 145.9 28.6 8.1 61.1 656 176 C N >> - 0 0 58 -2,-0.1 3,-0.9 -30,-0.1 4,-0.8 -0.976 34.2-111.8-140.2 154.5 29.8 10.6 58.6 657 177 C P H >> S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 3,-0.6 0.800 112.0 57.0 -49.1 -41.5 28.6 12.6 55.5 658 178 C Q H 3> S+ 0 0 88 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.847 101.8 55.0 -67.3 -33.9 30.8 10.8 53.0 659 179 C D H <> S+ 0 0 75 -3,-0.9 4,-2.0 1,-0.2 -1,-0.3 0.725 101.1 60.6 -71.4 -20.6 29.5 7.3 54.0 660 180 C D H - 0 0 72 4,-2.9 3,-1.6 -2,-0.3 -1,-0.1 -0.052 46.8 -74.8 -82.4-170.6 35.6 -8.2 40.2 694 214 C T T 3 S+ 0 0 154 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.834 133.3 50.1 -55.4 -36.8 39.3 -9.3 40.5 695 215 C A T 3 S- 0 0 75 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.504 119.8-108.5 -83.8 -3.8 40.1 -6.1 42.5 696 216 C G S < S+ 0 0 13 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.0 0.596 75.8 136.7 84.9 11.9 37.2 -6.8 44.9 697 217 C Q - 0 0 77 1,-0.1 -4,-2.9 24,-0.0 -1,-0.3 -0.747 65.1 -99.6 -90.7 139.2 35.2 -3.8 43.5 698 218 C P B -G 692 0N 27 0, 0.0 -6,-0.3 0, 0.0 2,-0.1 -0.352 42.4-110.2 -58.2 130.5 31.5 -4.3 42.8 699 219 C I - 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0 0 9 -3,-1.9 -28,-0.2 -28,-0.1 -4,-0.0 -0.304 50.1-156.1 -58.2 134.6 37.9 22.7 9.6 905 176 D N >> - 0 0 55 1,-0.1 4,-1.1 -30,-0.1 3,-0.8 -0.941 23.7-131.1-124.7 140.0 39.6 21.1 12.5 906 177 D P H 3> S+ 0 0 63 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.825 110.0 55.0 -52.4 -40.6 38.3 19.2 15.6 907 178 D Q H >> S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.863 102.0 58.1 -62.5 -36.7 40.4 21.3 18.0 908 179 D D H <> S+ 0 0 77 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.832 97.5 61.2 -63.1 -32.4 38.9 24.5 16.5 909 180 D D H 3X S+ 0 0 1 -4,-1.1 4,-2.5 -3,-0.3 -1,-0.2 0.866 100.2 55.1 -61.4 -35.8 35.5 23.2 17.5 910 181 D I H S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.5 0.941 107.7 52.5 -52.2 -50.4 32.0 32.9 26.8 919 190 D A H X5S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.874 108.9 48.9 -55.2 -43.1 29.4 34.8 24.8 920 191 D L H <5S+ 0 0 4 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.849 115.6 43.6 -69.7 -35.9 26.5 33.6 27.0 921 192 D L H <5S+ 0 0 21 -4,-2.1 -2,-0.2 -3,-0.2 -3,-0.1 0.972 134.0 11.9 -73.0 -57.9 28.3 34.5 30.2 922 193 D V H <5S- 0 0 22 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.453 94.3-120.6-101.3 -2.8 29.8 37.9 29.5 923 194 D N S < - 0 0 69 4,-2.8 3,-1.0 -2,-0.3 6,-0.1 -0.244 45.3 -79.4 -92.3-170.6 44.5 41.4 29.1 943 214 D T T 3 S+ 0 0 150 1,-0.3 -2,-0.0 2,-0.2 -1,-0.0 0.888 131.4 48.9 -60.8 -45.8 48.1 42.5 28.7 944 215 D A T 3 S- 0 0 85 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.578 123.7-106.7 -67.7 -8.7 49.2 39.4 26.7 945 216 D G S < S+ 0 0 27 -3,-1.0 -2,-0.2 1,-0.3 -1,-0.1 0.681 74.1 147.7 84.8 20.5 46.1 40.1 24.6 946 217 D Q - 0 0 55 1,-0.1 -4,-2.8 24,-0.0 -1,-0.3 -0.633 58.8 -96.4 -86.0 145.2 44.4 37.1 26.2 947 218 D P B -Q 941 0R 22 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.431 41.8-115.0 -62.0 129.7 40.7 37.1 26.7 948 219 D I - 0 0 37 -8,-2.6 -8,-0.1 -2,-0.2 5,-0.1 -0.429 39.8-103.9 -61.0 135.8 39.8 38.2 30.3 949 220 D E >> - 0 0 101 1,-0.1 4,-1.7 -2,-0.1 3,-1.6 -0.337 22.1-120.0 -68.1 145.8 38.2 35.3 32.1 950 221 D P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 7,-0.2 0.837 114.0 52.2 -53.3 -39.4 34.4 35.5 32.6 951 222 D A H 34 S+ 0 0 23 2,-0.2 6,-0.1 1,-0.2 8,-0.1 0.622 104.8 56.8 -77.0 -13.6 34.7 35.3 36.4 952 223 D D H <4 S+ 0 0 91 -3,-1.6 -1,-0.2 1,-0.1 3,-0.2 0.879 112.1 41.7 -75.9 -43.1 37.2 38.3 36.2 953 224 D I H < S+ 0 0 73 -4,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.887 132.5 20.8 -69.2 -41.6 34.5 40.3 34.5 954 225 D D >< - 0 0 64 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.3 -0.979 61.6-161.7-136.6 123.6 31.7 39.1 36.7 955 226 D R T 3 S+ 0 0 178 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.746 85.5 71.1 -76.7 -25.3 32.2 37.6 40.2 956 227 D D T 3 S+ 0 0 135 2,-0.1 -1,-0.2 3,-0.0 -5,-0.1 0.605 76.3 100.2 -67.8 -10.4 28.8 35.9 40.4 957 228 D I S < S- 0 0 6 -3,-0.9 -3,-0.1 -7,-0.2 5,-0.0 -0.697 84.5-117.4 -82.5 115.3 30.0 33.4 37.7 958 229 D P > - 0 0 39 0, 0.0 4,-2.8 0, 0.0 5,-0.2 -0.196 19.6-127.4 -51.3 138.8 31.1 30.1 39.4 959 230 D F H > S+ 0 0 146 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.860 106.7 55.6 -64.4 -38.1 34.8 29.5 38.8 960 231 D Q H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.932 113.4 42.9 -58.2 -45.0 34.3 25.9 37.5 961 232 D I H >> S+ 0 0 0 2,-0.2 4,-1.4 27,-0.2 3,-0.5 0.965 115.0 48.1 -64.2 -53.4 31.9 27.4 34.9 962 233 D S H 3X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.875 110.9 53.0 -53.8 -39.5 34.1 30.4 34.1 963 234 D A H 3X S+ 0 0 33 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.809 99.2 62.2 -70.5 -31.5 37.1 28.1 33.8 964 235 D V H - 0 0 38 1,-0.1 4,-2.5 -70,-0.0 5,-0.2 -0.991 68.5-133.4-141.0 148.6 38.9 16.6 23.2 978 249 D A H > S+ 0 0 4 -2,-0.3 4,-2.7 1,-0.2 -110,-0.2 0.833 111.3 54.0 -66.6 -32.4 35.1 17.2 23.0 979 250 D S H > S+ 0 0 50 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.900 109.3 47.6 -67.6 -41.1 34.6 14.3 25.4 980 251 D T H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.936 113.6 47.3 -63.3 -48.4 36.9 16.0 27.9 981 252 D L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.923 112.3 51.1 -55.7 -46.8 35.1 19.3 27.4 982 253 D L H X S+ 0 0 21 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.938 110.5 48.0 -57.4 -51.3 31.8 17.5 27.8 983 254 D N H X S+ 0 0 76 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.951 111.8 49.4 -53.6 -54.0 32.9 15.9 31.0 984 255 D L H X S+ 0 0 44 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.900 110.6 50.8 -53.8 -45.0 34.2 19.2 32.4 985 256 D M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.932 113.7 44.9 -57.9 -47.5 30.9 20.9 31.5 986 257 D Q H X S+ 0 0 64 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.942 114.0 47.6 -63.1 -50.6 28.9 18.2 33.2 987 258 D Q H X S+ 0 0 102 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.905 113.7 50.0 -55.5 -42.7 31.1 18.2 36.3 988 259 D A H X S+ 0 0 3 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.881 110.8 48.6 -64.9 -40.0 30.9 22.0 36.3 989 260 D T H < S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.898 115.3 44.1 -66.9 -41.5 27.1 21.8 36.1 990 261 D A H < S+ 0 0 1 -4,-2.7 -256,-0.2 1,-0.2 -2,-0.2 0.907 113.9 48.6 -71.1 -44.4 26.8 19.3 38.9 991 262 D V H < 0 0 63 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.838 360.0 360.0 -65.8 -34.8 29.2 20.9 41.2 992 263 D A < 0 0 50 -4,-1.7 -1,-0.0 -5,-0.2 -4,-0.0 -0.532 360.0 360.0 -71.3 360.0 27.6 24.4 40.8