==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 09-JUN-05 1ZYB . COMPND 2 MOLECULE: TRANSCRIPTION REGULATOR, CRP FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 230 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 0 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 -9 A S 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.2 -34.1 13.9 7.3 2 -8 A D + 0 0 182 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.157 360.0 171.6 -42.5 123.3 -34.1 13.8 11.2 3 -7 A K - 0 0 169 2,-0.0 2,-0.5 0, 0.0 -1,-0.0 -0.994 33.5-150.9-148.1 138.9 -35.6 17.2 12.0 4 -6 A I - 0 0 169 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.966 22.1-179.6-113.4 128.4 -36.9 19.1 14.9 5 -5 A H + 0 0 101 -2,-0.5 2,-0.6 4,-0.0 3,-0.1 -0.906 19.9 171.1-138.6 117.4 -39.6 21.6 14.2 6 -4 A H > - 0 0 124 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.935 18.9-164.3-114.0 97.8 -41.4 23.9 16.7 7 -3 A H H > S+ 0 0 82 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.843 82.3 54.8 -62.7 -38.3 -43.3 26.1 14.3 8 -2 A H H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 113.2 42.3 -58.0 -48.4 -44.2 28.9 16.8 9 -1 A H H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.894 112.9 55.0 -67.6 -39.8 -40.5 29.4 17.7 10 0 A H H X S+ 0 0 27 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.916 110.7 44.9 -54.7 -47.6 -39.5 29.1 14.0 11 1 A X H X S+ 0 0 10 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.882 108.0 56.7 -71.9 -36.7 -41.9 31.9 13.1 12 2 A E H X S+ 0 0 75 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.949 106.9 50.4 -54.8 -47.5 -40.8 34.1 15.9 13 3 A T H < S+ 0 0 47 -4,-2.2 4,-0.3 1,-0.2 5,-0.2 0.879 111.1 48.8 -57.5 -37.3 -37.3 33.9 14.6 14 4 A X H ><>S+ 0 0 0 -4,-1.5 5,-2.2 2,-0.2 3,-0.9 0.885 109.7 51.1 -70.5 -40.0 -38.6 34.9 11.2 15 5 A F H 3<5S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.865 111.3 50.0 -58.1 -38.0 -40.6 37.8 12.7 16 6 A D T 3<5S+ 0 0 104 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.516 128.0 16.6 -81.5 -7.2 -37.4 38.9 14.4 17 7 A T T X 5S+ 0 0 12 -3,-0.9 3,-1.5 -4,-0.3 4,-0.3 0.539 128.0 29.8-129.3 -82.6 -35.3 38.7 11.3 18 8 A L G > 5S+ 0 0 1 1,-0.3 3,-1.8 -5,-0.2 6,-0.4 0.876 117.2 57.0 -57.5 -42.6 -36.8 38.6 7.8 19 9 A L G 3 S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.816 111.5 66.6 -59.2 -27.9 -37.1 46.3 3.8 23 13 A L G 3 S+ 0 0 2 1,-0.2 116,-0.2 -5,-0.1 115,-0.2 0.808 109.3 37.9 -61.2 -26.2 -37.9 43.4 1.4 24 14 A F G X S+ 0 0 1 -3,-1.8 3,-0.8 -6,-0.4 -1,-0.2 0.205 86.9 131.5-112.0 13.6 -40.8 42.4 3.8 25 15 A Q T < + 0 0 97 -3,-1.3 113,-0.1 -4,-0.3 3,-0.1 -0.248 64.0 31.8 -63.2 151.3 -42.0 45.9 4.9 26 16 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 112,-0.0 -1,-0.2 0.628 90.8 121.0 78.8 14.2 -45.7 46.6 4.7 27 17 A L < - 0 0 23 -3,-0.8 -1,-0.2 -8,-0.2 2,-0.1 -0.945 57.0-137.0-113.8 131.4 -46.7 43.0 5.6 28 18 A C > - 0 0 69 -2,-0.5 4,-2.6 -3,-0.1 5,-0.2 -0.398 33.7-103.8 -73.2 162.3 -48.8 42.0 8.6 29 19 A H H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 119.0 51.5 -54.9 -44.1 -47.6 38.9 10.5 30 20 A E H > S+ 0 0 146 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 112.7 43.5 -66.1 -42.8 -50.3 36.7 9.1 31 21 A D H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 112.9 52.6 -69.2 -42.9 -49.5 37.6 5.4 32 22 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.950 111.3 48.1 -52.6 -50.7 -45.8 37.3 6.0 33 23 A T H X S+ 0 0 29 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.909 110.0 51.2 -57.4 -46.5 -46.4 33.8 7.5 34 24 A S H X S+ 0 0 50 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.888 109.5 51.0 -62.5 -37.7 -48.6 32.7 4.6 35 25 A I H >< S+ 0 0 9 -4,-2.3 3,-0.7 1,-0.2 4,-0.2 0.928 111.2 46.4 -66.1 -45.7 -46.0 33.8 2.1 36 26 A L H >< S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.826 102.9 66.4 -66.2 -32.1 -43.1 31.9 3.9 37 27 A D H 3< S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 98.6 52.7 -51.9 -37.0 -45.4 28.8 4.2 38 28 A K T << S+ 0 0 83 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.3 0.477 101.5 72.2 -87.4 -6.1 -45.4 28.4 0.5 39 29 A V S < S- 0 0 14 -3,-1.5 2,-0.7 -4,-0.2 81,-0.0 -0.823 80.5-117.0-113.6 154.3 -41.6 28.4 0.1 40 30 A K - 0 0 126 -2,-0.3 2,-0.5 81,-0.1 81,-0.4 -0.777 30.7-155.9 -84.7 115.6 -38.8 26.0 0.8 41 31 A L - 0 0 33 -2,-0.7 2,-0.7 79,-0.1 79,-0.2 -0.846 2.5-158.4 -94.5 125.0 -36.5 27.6 3.4 42 32 A H E -A 119 0A 87 77,-2.5 77,-2.3 -2,-0.5 2,-0.4 -0.902 7.6-163.0-106.7 108.2 -32.9 26.3 3.5 43 33 A F E +A 118 0A 99 -2,-0.7 2,-0.4 75,-0.2 75,-0.2 -0.775 12.3 178.4 -93.5 127.7 -31.3 27.0 6.9 44 34 A I E -A 117 0A 74 73,-2.0 73,-2.6 -2,-0.4 2,-0.4 -0.998 16.9-153.2-136.9 131.1 -27.5 26.7 6.9 45 35 A K E -A 116 0A 120 -2,-0.4 2,-0.4 71,-0.2 71,-0.2 -0.837 13.1-164.2-101.6 141.3 -25.0 27.3 9.7 46 36 A H E -A 115 0A 29 69,-2.6 69,-2.6 -2,-0.4 2,-0.2 -0.990 16.0-126.2-127.3 138.3 -21.4 28.4 8.9 47 37 A K > - 0 0 129 -2,-0.4 3,-2.3 67,-0.2 64,-0.3 -0.497 45.2 -81.5 -74.3 150.5 -18.4 28.3 11.2 48 38 A A T 3 S+ 0 0 62 1,-0.3 64,-0.2 -2,-0.2 66,-0.1 -0.242 119.2 23.4 -46.1 130.6 -16.3 31.5 11.8 49 39 A G T 3 S+ 0 0 58 62,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.199 91.8 128.2 93.5 -12.5 -13.9 31.9 8.8 50 40 A E < - 0 0 79 -3,-2.3 61,-3.1 1,-0.1 2,-0.6 -0.500 63.8-118.5 -81.1 141.7 -15.9 29.8 6.4 51 41 A T E -D 110 0B 86 59,-0.2 59,-0.3 -2,-0.2 3,-0.1 -0.710 28.2-178.3 -77.4 119.0 -16.8 31.3 2.9 52 42 A I E S+ 0 0 26 57,-2.3 2,-0.3 -2,-0.6 58,-0.2 0.913 73.0 7.7 -78.4 -50.5 -20.6 31.5 2.7 53 43 A I E -D 109 0B 13 56,-1.9 56,-3.0 4,-0.0 2,-0.5 -0.991 68.9-147.1-139.0 140.7 -20.6 32.9 -0.9 54 44 A K > - 0 0 126 -2,-0.3 3,-1.9 54,-0.2 51,-0.3 -0.936 26.2-112.9-113.8 127.8 -17.8 33.3 -3.4 55 45 A S T 3 S+ 0 0 39 -2,-0.5 51,-0.2 1,-0.2 53,-0.1 -0.217 102.0 31.8 -53.6 146.1 -17.7 36.2 -6.0 56 46 A G T 3 S+ 0 0 46 49,-2.8 -1,-0.2 1,-0.3 50,-0.1 0.180 90.9 115.8 86.1 -18.6 -18.1 35.0 -9.5 57 47 A N S < S- 0 0 75 -3,-1.9 48,-2.8 1,-0.1 -1,-0.3 -0.638 78.4 -92.0 -78.2 147.8 -20.3 32.0 -8.6 58 48 A P B -J 104 0C 78 0, 0.0 2,-0.7 0, 0.0 46,-0.3 -0.240 29.1-134.1 -62.1 137.3 -23.9 32.1 -9.9 59 49 A C + 0 0 4 44,-3.9 3,-0.1 38,-0.3 35,-0.0 -0.862 41.0 153.7 -91.4 114.3 -26.6 33.7 -7.8 60 50 A T + 0 0 86 -2,-0.7 62,-2.1 1,-0.1 63,-0.3 0.046 59.5 34.2-128.6 20.9 -29.5 31.3 -7.9 61 51 A Q E S-B 121 0A 62 60,-0.3 2,-0.7 61,-0.1 60,-0.2 -0.984 77.3-106.9-164.3 163.1 -31.1 32.2 -4.5 62 52 A L E -B 120 0A 0 58,-3.0 58,-1.9 -2,-0.3 2,-0.5 -0.913 37.7-161.7 -97.3 116.4 -31.9 34.9 -2.0 63 53 A a E -BC 119 93A 3 -2,-0.7 30,-2.6 30,-0.5 2,-0.4 -0.865 3.0-162.3-107.1 127.6 -29.6 34.4 1.0 64 54 A F E -BC 118 92A 0 54,-2.9 54,-2.0 -2,-0.5 2,-0.7 -0.943 16.3-137.2-112.8 132.4 -30.5 36.0 4.3 65 55 A L E +BC 117 91A 2 26,-3.3 26,-1.4 -2,-0.4 52,-0.2 -0.803 28.1 171.1 -84.5 115.8 -28.2 36.5 7.2 66 56 A L E + 0 0 20 50,-2.7 2,-0.3 -2,-0.7 51,-0.2 0.774 61.6 6.5 -95.6 -36.4 -30.2 35.6 10.4 67 57 A K E S+B 116 0A 137 49,-1.7 49,-2.3 22,-0.0 -1,-0.3 -0.975 101.6 22.7-153.0 141.2 -27.6 35.7 13.1 68 58 A G S S- 0 0 24 -2,-0.3 21,-1.9 47,-0.2 2,-0.4 -0.514 80.0 -67.7 102.4-169.3 -23.9 36.6 13.5 69 59 A E E -E 88 0B 46 45,-0.3 43,-2.5 19,-0.2 44,-1.8 -0.971 40.7-170.4-128.3 135.9 -21.6 38.9 11.6 70 60 A I E -EF 87 111B 0 17,-2.7 17,-2.8 -2,-0.4 2,-0.5 -0.808 17.7-131.3-119.1 165.5 -20.2 38.5 8.1 71 61 A S E -EF 86 110B 10 39,-2.5 39,-2.3 -2,-0.3 2,-0.4 -0.986 11.7-146.3-114.5 125.0 -17.5 40.2 6.0 72 62 A I E -EF 85 109B 2 13,-3.3 13,-2.4 -2,-0.5 2,-0.5 -0.778 19.0-164.9 -79.3 133.5 -18.3 41.4 2.5 73 63 A V E +EF 84 108B 33 35,-2.7 35,-2.7 -2,-0.4 2,-0.5 -0.983 9.9 177.8-128.2 116.3 -15.0 40.9 0.5 74 64 A T E -E 83 0B 53 9,-2.5 9,-2.7 -2,-0.5 2,-0.4 -0.985 13.6-154.6-130.7 124.8 -14.8 42.7 -2.8 75 65 A N E -E 82 0B 67 -2,-0.5 7,-0.2 31,-0.3 3,-0.1 -0.839 13.5-134.4 -97.3 132.5 -11.9 42.8 -5.2 76 66 A A > - 0 0 17 5,-3.0 3,-2.3 -2,-0.4 5,-0.1 -0.276 54.2 -62.0 -67.6 166.4 -11.2 45.6 -7.7 77 67 A K G > S+ 0 0 109 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 -0.227 129.1 7.3 -52.1 137.2 -10.3 44.6 -11.2 78 68 A E G 3 S- 0 0 177 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.691 121.9 -86.4 57.2 23.2 -7.0 42.7 -11.3 79 69 A N G < S+ 0 0 107 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.803 78.3 154.1 48.7 39.4 -7.2 42.7 -7.5 80 70 A I S < S+ 0 0 57 -3,-1.5 106,-0.5 1,-0.2 2,-0.3 0.705 73.9 0.7 -71.0 -20.7 -5.5 46.1 -7.2 81 71 A Y - 0 0 32 104,-0.1 -5,-3.0 -4,-0.1 2,-0.4 -0.957 66.2-149.9-156.9 161.0 -7.3 46.5 -4.0 82 72 A T E -EG 75 184B 22 102,-2.4 102,-3.4 -2,-0.3 2,-0.5 -0.999 8.2-153.0-133.9 131.2 -9.7 44.6 -1.8 83 73 A V E -EG 74 183B 7 -9,-2.7 -9,-2.5 -2,-0.4 2,-0.5 -0.929 5.3-166.5-107.5 128.9 -12.4 46.0 0.5 84 74 A I E -EG 73 182B 23 98,-3.0 98,-2.4 -2,-0.5 2,-0.4 -0.978 10.9-177.2-116.2 120.1 -13.6 44.0 3.6 85 75 A E E -EG 72 181B 6 -13,-2.4 -13,-3.3 -2,-0.5 2,-0.3 -0.986 21.0-132.4-126.9 126.7 -16.8 45.4 5.1 86 76 A Q E -E 71 0B 21 94,-2.0 2,-0.4 -2,-0.4 -15,-0.2 -0.599 23.3-173.9 -78.4 133.1 -18.4 44.0 8.3 87 77 A I E -E 70 0B 5 -17,-2.8 -17,-2.7 -2,-0.3 2,-0.3 -0.997 9.1-151.4-128.7 134.5 -22.2 43.4 8.2 88 78 A E E -E 69 0B 147 -2,-0.4 -19,-0.2 -19,-0.2 -23,-0.1 -0.775 37.5 -60.5-103.3 149.6 -24.4 42.3 11.2 89 79 A A S S+ 0 0 32 -21,-1.9 -23,-0.2 -2,-0.3 -21,-0.1 -0.344 103.3 51.3 -63.0 150.8 -27.6 40.3 11.1 90 80 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 0.604 76.4 136.3 -88.5 154.2 -30.2 40.6 9.8 91 81 A Y E -C 65 0A 48 -26,-1.4 -26,-3.3 -2,-0.1 2,-0.6 -0.980 46.6-133.7-159.6 139.9 -29.3 41.3 6.2 92 82 A L E -C 64 0A 18 -2,-0.3 2,-0.5 -28,-0.2 -28,-0.2 -0.883 30.5-131.5 -98.9 123.0 -30.3 40.3 2.7 93 83 A I E -C 63 0A 2 -30,-2.6 -30,-0.5 -2,-0.6 4,-0.1 -0.602 65.6 -34.1 -80.6 122.2 -27.3 39.5 0.5 94 84 A E > + 0 0 3 -2,-0.5 3,-1.9 1,-0.1 4,-0.3 0.832 59.3 178.1 38.4 60.8 -27.1 41.1 -3.0 95 85 A P G > S+ 0 0 11 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.844 79.5 63.9 -54.8 -31.8 -30.8 41.2 -4.0 96 86 A Q G > S+ 0 0 52 1,-0.2 3,-0.8 2,-0.1 -2,-0.1 0.704 91.4 64.2 -63.8 -22.0 -29.6 42.9 -7.2 97 87 A S G < S+ 0 0 9 -3,-1.9 -38,-0.3 1,-0.2 -1,-0.2 0.534 82.6 76.4 -86.0 -3.2 -27.7 39.8 -8.3 98 88 A L G < S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.3 2,-0.2 0.732 102.5 34.5 -76.9 -22.7 -30.8 37.7 -8.6 99 89 A F S < S+ 0 0 76 -3,-0.8 3,-0.1 -4,-0.3 2,-0.1 -0.644 86.2 50.8-122.3 179.5 -31.7 39.4 -11.9 100 90 A G S S- 0 0 65 -2,-0.2 3,-0.2 1,-0.2 -3,-0.0 -0.348 93.1 -55.1 95.4-171.3 -30.0 40.9 -14.9 101 91 A X S S+ 0 0 204 1,-0.2 2,-1.0 -2,-0.1 -1,-0.2 0.885 126.2 52.0 -78.7 -42.9 -27.4 39.8 -17.4 102 92 A N + 0 0 111 -3,-0.1 -1,-0.2 1,-0.1 -3,-0.1 -0.787 61.4 172.5 -95.9 94.4 -24.7 39.0 -14.8 103 93 A T + 0 0 45 -2,-1.0 -44,-3.9 -3,-0.2 2,-0.3 0.032 45.1 110.3 -88.9 28.8 -26.4 36.7 -12.4 104 94 A N B S-J 58 0C 58 -46,-0.3 -49,-0.1 1,-0.1 -47,-0.1 -0.814 80.7 -98.4 -94.9 148.2 -23.1 36.0 -10.6 105 95 A Y - 0 0 12 -48,-2.8 -49,-2.8 -2,-0.3 -48,-0.1 -0.345 25.9-155.0 -57.5 135.9 -22.3 37.2 -7.1 106 96 A A S S+ 0 0 67 -51,-0.2 -31,-0.3 -50,-0.1 2,-0.2 0.794 73.9 30.2 -86.9 -31.4 -20.3 40.4 -7.3 107 97 A S S S- 0 0 11 -33,-0.1 2,-0.3 -53,-0.1 -33,-0.2 -0.759 77.3-118.3-121.8 169.0 -18.7 40.0 -3.8 108 98 A S E - F 0 73B 17 -35,-2.7 -35,-2.7 -2,-0.2 2,-0.4 -0.765 21.8-150.8-100.5 152.1 -17.7 37.2 -1.5 109 99 A Y E -DF 53 72B 6 -56,-3.0 -57,-2.3 -2,-0.3 -56,-1.9 -0.999 13.2-172.2-130.1 126.6 -19.3 36.8 1.9 110 100 A V E -DF 51 71B 32 -39,-2.3 -39,-2.5 -2,-0.4 2,-0.4 -0.954 29.7-112.6-123.6 135.1 -17.3 35.2 4.8 111 101 A A E - F 0 70B 2 -61,-3.1 -62,-3.0 -2,-0.4 -41,-0.2 -0.532 29.4-179.6 -64.4 120.3 -18.5 34.2 8.2 112 102 A H S S+ 0 0 97 -43,-2.5 -42,-0.2 -2,-0.4 -1,-0.2 0.898 76.9 8.4 -85.1 -53.4 -16.8 36.5 10.7 113 103 A T S S- 0 0 54 -44,-1.8 -64,-0.2 1,-0.2 2,-0.2 -0.408 116.3 -60.6-100.6-174.0 -18.5 34.8 13.7 114 104 A E - 0 0 100 -2,-0.2 2,-0.4 -66,-0.1 -45,-0.3 -0.564 70.0-158.3 -59.8 138.3 -20.5 31.7 13.6 115 105 A V E -A 46 0A 0 -69,-2.6 -69,-2.6 -2,-0.2 2,-0.5 -0.959 22.0-154.9-132.0 146.0 -23.4 32.5 11.3 116 106 A H E +AB 45 67A 65 -49,-2.3 -50,-2.7 -2,-0.4 -49,-1.7 -0.987 23.6 172.8-113.9 130.3 -27.0 31.4 10.6 117 107 A T E -AB 44 65A 2 -73,-2.6 -73,-2.0 -2,-0.5 2,-0.4 -0.852 20.2-152.8-126.4 166.0 -28.5 32.0 7.2 118 108 A V E -AB 43 64A 0 -54,-2.0 -54,-2.9 -2,-0.3 2,-0.3 -0.992 13.3-162.0-137.2 136.5 -31.6 31.0 5.3 119 109 A a E -AB 42 63A 4 -77,-2.3 -77,-2.5 -2,-0.4 2,-0.4 -0.910 8.7-165.8-120.5 145.3 -31.9 30.7 1.5 120 110 A I E - B 0 62A 0 -58,-1.9 -58,-3.0 -2,-0.3 -79,-0.1 -0.998 32.1-113.8-125.4 129.7 -34.9 30.7 -0.8 121 111 A S E > - B 0 61A 31 -81,-0.4 4,-1.9 -2,-0.4 -60,-0.3 -0.239 19.3-119.3 -63.0 151.1 -34.4 29.6 -4.4 122 112 A K H > S+ 0 0 57 -62,-2.1 4,-2.9 1,-0.2 5,-0.3 0.914 115.2 60.1 -56.1 -39.4 -34.8 32.0 -7.3 123 113 A A H > S+ 0 0 68 -63,-0.3 4,-2.7 1,-0.2 5,-0.3 0.919 106.4 44.8 -55.9 -47.0 -37.6 29.7 -8.6 124 114 A F H >>S+ 0 0 57 -3,-0.2 4,-1.8 2,-0.2 5,-1.7 0.820 111.9 54.0 -66.0 -32.8 -39.6 30.2 -5.4 125 115 A V H <>S+ 0 0 0 -4,-1.9 5,-2.7 3,-0.2 6,-0.2 0.964 117.3 35.2 -64.6 -51.2 -38.9 33.9 -5.4 126 116 A L H <5S+ 0 0 77 -4,-2.9 -2,-0.2 3,-0.2 -3,-0.2 0.959 124.0 41.6 -66.7 -49.3 -40.2 34.3 -9.0 127 117 A S H <5S+ 0 0 62 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.826 134.2 10.8 -74.2 -35.1 -43.0 31.7 -8.9 128 118 A D T ><5S+ 0 0 37 -4,-1.8 3,-1.8 -5,-0.3 -3,-0.2 0.837 127.2 40.9-107.6 -66.6 -44.3 32.5 -5.4 129 119 A L G > S- 0 0 86 -3,-1.7 4,-2.4 -4,-0.2 3,-0.4 -0.890 76.6-142.8-105.1 125.7 -47.6 39.3 -4.4 133 123 A D H > S+ 0 0 107 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.835 97.2 50.0 -52.8 -43.6 -47.8 43.0 -5.1 134 124 A I H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 112.1 48.5 -66.1 -38.1 -46.2 44.3 -1.8 135 125 A F H > S+ 0 0 1 -3,-0.4 4,-2.3 -6,-0.2 -2,-0.2 0.951 114.1 45.0 -67.6 -48.9 -43.2 41.9 -2.2 136 126 A R H X S+ 0 0 110 -4,-2.4 4,-2.3 -7,-0.3 -2,-0.2 0.889 112.9 51.2 -66.4 -36.4 -42.5 42.8 -5.8 137 127 A L H X S+ 0 0 97 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.905 111.0 48.8 -59.9 -44.1 -42.9 46.5 -5.0 138 128 A N H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.911 112.5 47.2 -65.1 -43.7 -40.5 46.3 -2.1 139 129 A Y H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.900 112.1 50.5 -62.7 -43.3 -37.9 44.4 -4.2 140 130 A X H X S+ 0 0 121 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.886 109.1 52.0 -65.6 -37.1 -38.3 46.9 -7.1 141 131 A N H X S+ 0 0 70 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.904 108.5 51.4 -63.7 -39.5 -37.8 49.7 -4.6 142 132 A I H X S+ 0 0 39 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.938 113.8 41.4 -64.9 -50.0 -34.5 48.2 -3.3 143 133 A V H X S+ 0 0 50 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.895 115.3 50.7 -69.9 -37.7 -32.9 47.6 -6.7 144 134 A S H X S+ 0 0 44 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.889 107.9 53.7 -66.1 -39.3 -34.0 51.1 -8.0 145 135 A N H X S+ 0 0 80 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.899 108.2 50.2 -60.0 -41.6 -32.7 52.8 -4.9 146 136 A R H X S+ 0 0 74 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.945 113.2 45.3 -62.2 -45.3 -29.4 51.1 -5.5 147 137 A A H X S+ 0 0 61 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.901 114.6 48.5 -64.7 -42.0 -29.4 52.3 -9.2 148 138 A Q H X S+ 0 0 118 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.915 112.0 48.5 -63.2 -45.3 -30.5 55.8 -8.2 149 139 A N H X S+ 0 0 103 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.936 113.2 46.9 -65.6 -43.7 -27.8 56.2 -5.4 150 140 A L H X S+ 0 0 87 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.884 114.1 48.0 -64.6 -38.8 -25.0 54.9 -7.7 151 141 A Y H >< S+ 0 0 140 -4,-2.0 3,-1.5 -5,-0.2 4,-0.4 0.929 106.5 57.0 -66.3 -46.2 -26.1 57.2 -10.5 152 142 A S H >< S+ 0 0 70 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.851 99.1 59.9 -54.1 -39.3 -26.4 60.2 -8.2 153 143 A R H >< S+ 0 0 106 -4,-1.6 3,-0.9 1,-0.3 -1,-0.3 0.717 92.9 66.7 -65.7 -23.7 -22.7 59.9 -7.2 154 144 A L T << S+ 0 0 130 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.697 103.1 47.8 -63.5 -20.8 -21.5 60.3 -10.8 155 145 A W T < S+ 0 0 179 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.288 84.2 124.9-112.6 11.9 -22.8 63.9 -10.7 156 146 A D S < S- 0 0 83 -3,-0.9 3,-0.1 1,-0.1 -3,-0.0 -0.196 70.7 -94.6 -65.0 156.9 -21.4 65.1 -7.4 157 147 A E - 0 0 171 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.428 54.5-100.9 -62.5 147.2 -19.2 68.1 -7.0 158 148 A P - 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.256 30.5-105.7 -74.8 160.5 -15.6 67.2 -7.1 159 149 A T - 0 0 39 1,-0.1 3,-0.1 -3,-0.1 4,-0.0 -0.585 24.6-153.4 -80.0 150.8 -13.3 66.8 -4.1 160 150 A L + 0 0 162 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 0.515 66.8 26.4-112.1 -5.6 -10.9 69.6 -3.7 161 151 A D S > S- 0 0 96 1,-0.1 4,-2.2 0, 0.0 5,-0.1 -0.924 82.5-101.2-145.0 176.7 -8.0 68.1 -1.9 162 152 A L H > S+ 0 0 23 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.854 116.5 56.5 -70.1 -37.1 -6.3 64.7 -1.4 163 153 A K H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 112.0 43.0 -59.7 -43.7 -7.8 64.1 2.1 164 154 A S H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.904 113.1 53.0 -70.6 -37.5 -11.4 64.5 0.6 165 155 A K H X S+ 0 0 73 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.941 111.2 46.5 -57.5 -47.6 -10.4 62.4 -2.4 166 156 A I H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.927 112.4 49.7 -63.2 -44.8 -9.2 59.6 -0.2 167 157 A I H X S+ 0 0 34 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.905 111.5 48.3 -62.1 -43.2 -12.2 59.8 2.0 168 158 A R H X S+ 0 0 103 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.910 107.9 55.7 -62.1 -43.0 -14.5 59.6 -1.0 169 159 A F H < S+ 0 0 22 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.935 112.6 43.2 -53.4 -46.4 -12.5 56.7 -2.3 170 160 A F H >< S+ 0 0 1 -4,-2.5 3,-1.4 2,-0.2 -2,-0.2 0.972 116.9 43.9 -61.9 -56.3 -13.1 54.9 1.0 171 161 A L H >< S+ 0 0 31 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.872 106.7 59.0 -64.4 -38.3 -16.8 55.7 1.3 172 162 A S T 3< S+ 0 0 40 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.613 104.8 52.3 -67.3 -13.4 -17.8 55.1 -2.3 173 163 A H T < S+ 0 0 69 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.3 0.177 96.3 87.5-107.8 17.6 -16.6 51.5 -1.9 174 164 A C < - 0 0 8 -3,-1.9 7,-0.0 1,-0.1 -89,-0.0 -0.920 69.1-145.2-112.9 139.0 -18.7 50.8 1.3 175 165 A E S S+ 0 0 86 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.838 92.9 14.8 -67.8 -32.6 -22.2 49.6 1.3 176 166 A K S S- 0 0 81 2,-0.1 2,-1.0 -3,-0.1 -1,-0.2 -0.999 71.1-129.8-146.6 146.6 -22.8 51.8 4.4 177 167 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 53,-0.2 -0.303 85.0 76.8 -90.1 46.5 -20.8 54.6 6.0 178 168 A Q S S+ 0 0 115 -2,-1.0 -2,-0.1 48,-0.2 2,-0.1 -0.962 76.6 27.4-150.3 142.5 -20.9 53.1 9.4 179 169 A G S S- 0 0 22 -2,-0.3 47,-2.5 -94,-0.1 2,-0.3 -0.286 91.9 -33.7 100.7 177.5 -18.9 50.3 10.9 180 170 A E + 0 0 86 45,-0.2 -94,-2.0 -2,-0.1 2,-0.3 -0.533 53.2 172.7 -81.8 137.4 -15.5 48.7 10.4 181 171 A K E -GH 85 223B 1 42,-2.5 42,-3.6 -2,-0.3 2,-0.4 -0.969 15.1-159.4-137.5 146.5 -13.9 48.4 7.0 182 172 A T E -GH 84 222B 16 -98,-2.4 -98,-3.0 -2,-0.3 2,-0.5 -0.998 4.7-157.8-125.2 136.5 -10.4 47.3 5.9 183 173 A F E -GH 83 221B 0 38,-3.0 38,-3.1 -2,-0.4 2,-0.7 -0.974 5.1-159.3-109.4 116.0 -8.9 48.3 2.5 184 174 A K E +GH 82 220B 99 -102,-3.4 -102,-2.4 -2,-0.5 2,-0.3 -0.893 36.4 139.4 -96.9 114.6 -6.1 45.9 1.4 185 175 A V - 0 0 12 34,-1.1 2,-0.2 -2,-0.7 -104,-0.1 -0.950 48.4-127.9-161.6 129.6 -4.1 47.9 -1.1 186 176 A K > - 0 0 117 -106,-0.5 4,-2.3 -2,-0.3 5,-0.2 -0.566 31.7-116.7 -79.4 152.0 -0.4 48.3 -1.9 187 177 A X H > S+ 0 0 46 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.897 113.1 55.7 -58.6 -46.4 0.9 51.8 -2.0 188 178 A D H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 111.0 47.0 -50.6 -47.6 1.8 51.7 -5.7 189 179 A D H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.890 110.4 50.4 -64.0 -40.2 -1.8 50.7 -6.5 190 180 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.905 106.9 54.8 -66.6 -44.2 -3.4 53.3 -4.3 191 181 A A H X>S+ 0 0 13 -4,-2.5 5,-2.1 1,-0.2 4,-0.7 0.927 109.4 48.3 -49.8 -51.0 -1.3 56.1 -5.9 192 182 A R H ><5S+ 0 0 160 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.884 109.4 52.4 -57.5 -44.4 -2.5 55.0 -9.3 193 183 A C H 3<5S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.9 37.9 -62.2 -37.3 -6.1 54.9 -8.2 194 184 A L H 3<5S- 0 0 5 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.430 105.1-127.3 -92.7 -2.6 -6.0 58.5 -6.8 195 185 A D T <<5S+ 0 0 140 -4,-0.7 2,-0.2 -3,-0.5 -3,-0.2 0.935 74.8 102.6 50.1 50.8 -3.8 59.7 -9.6 196 186 A D S - 0 0 67 -2,-0.2 4,-2.7 -3,-0.1 5,-0.3 -0.714 26.7-117.4-111.1 157.7 2.1 60.2 -5.6 198 188 A R H > S+ 0 0 143 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.880 114.4 52.9 -52.1 -45.0 3.3 57.9 -2.8 199 189 A L H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 112.8 42.3 -63.7 -45.4 4.7 60.9 -0.9 200 190 A N H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 117.1 47.4 -66.8 -45.6 1.4 62.9 -0.9 201 191 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.911 110.9 51.9 -60.9 -45.8 -0.7 59.9 -0.2 202 192 A S H X S+ 0 0 33 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.907 110.1 49.0 -56.4 -46.1 1.6 58.8 2.6 203 193 A K H X S+ 0 0 128 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.954 114.6 44.2 -58.0 -51.0 1.4 62.3 4.2 204 194 A T H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.866 110.9 52.8 -67.0 -41.0 -2.4 62.4 4.0 205 195 A L H X S+ 0 0 6 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.894 109.2 51.5 -61.9 -39.5 -2.9 58.9 5.3 206 196 A N H X S+ 0 0 61 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.865 106.5 52.7 -65.9 -37.4 -0.7 59.7 8.3 207 197 A E H X S+ 0 0 60 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.952 110.8 48.2 -58.7 -50.8 -2.7 62.8 9.1 208 198 A L H <>S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 6,-0.7 0.884 113.7 46.9 -55.9 -40.7 -5.9 60.7 9.1 209 199 A Q H ><5S+ 0 0 60 -4,-1.9 3,-1.6 4,-0.2 -1,-0.2 0.885 109.8 53.1 -69.4 -39.7 -4.2 58.1 11.3 210 200 A D H 3<5S+ 0 0 123 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.880 106.0 53.9 -63.9 -36.2 -2.9 60.7 13.6 211 201 A N T 3<5S- 0 0 110 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.286 119.4-112.4 -82.5 14.8 -6.5 62.0 14.0 212 202 A G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.624 86.0 115.8 70.8 18.0 -7.6 58.6 15.0 213 203 A L S -I 220 0B 91 3,-2.9 3,-1.5 -2,-0.5 2,-0.4 -0.724 55.8 -54.7-129.3-176.5 -0.7 48.3 8.6 218 208 A R T 3 S- 0 0 91 1,-0.3 3,-0.1 -2,-0.2 -32,-0.1 -0.493 120.3 -22.7 -69.0 117.5 1.4 46.5 6.0 219 209 A K T 3 S+ 0 0 137 -2,-0.4 -34,-1.1 1,-0.1 2,-0.3 0.745 126.2 95.7 54.8 30.2 -0.5 46.8 2.7 220 210 A E E < -HI 184 217B 64 -3,-1.5 -3,-2.9 -36,-0.3 2,-0.5 -0.992 56.1-159.7-157.0 131.6 -3.6 47.4 4.6 221 211 A I E -HI 183 216B 8 -38,-3.1 -38,-3.0 -2,-0.3 2,-0.4 -0.975 13.8-157.0-116.7 117.0 -5.8 50.3 6.0 222 212 A L E -HI 182 215B 28 -7,-2.6 -7,-2.7 -2,-0.5 -40,-0.2 -0.805 4.9-167.6 -89.7 128.0 -8.2 49.7 8.8 223 213 A I E -H 181 0B 0 -42,-3.6 -42,-2.5 -2,-0.4 3,-0.4 -0.931 2.8-168.5-113.4 97.6 -11.2 52.1 9.2 224 214 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.876 80.2 6.7 -58.4 -39.6 -12.6 51.3 12.7 225 215 A D > - 0 0 53 -12,-0.4 3,-1.3 -45,-0.1 -45,-0.2 -0.856 62.2-165.1-147.1 107.4 -15.8 53.3 12.0 226 216 A A G > S+ 0 0 1 -47,-2.5 3,-1.9 -3,-0.4 4,-0.3 0.750 85.3 71.4 -65.1 -25.4 -16.4 54.8 8.6 227 217 A Q G > S+ 0 0 81 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.825 87.1 66.5 -57.6 -32.0 -19.1 57.1 9.9 228 218 A K G < S+ 0 0 60 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.561 90.3 64.5 -70.0 -8.3 -16.4 59.1 11.6 229 219 A L G < 0 0 13 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.580 360.0 360.0 -85.4 -13.7 -15.1 60.1 8.2 230 220 A L < 0 0 159 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.713 360.0 360.0 -77.2 360.0 -18.3 62.0 7.4