==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 20-MAR-11 3R5Z . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOCARDIA FARCINICA; . AUTHOR S.E.CELLITTI,J.SHAFFER,D.H.JONES,T.MUKHERJEE,M.GURUMURTHY, . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 66.8 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 . 76 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 7 2.5 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 2 0 0 0 0 0 4 0 0 0 0 0 0 0 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 2 4 2 2 2 2 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 . 2 0 0 0 0 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 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 5 A G > 0 0 93 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.4 -12.3 20.1 21.1 2 6 A E T 3 + 0 0 176 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.748 360.0 52.6 -68.2 -28.0 -15.7 19.4 19.6 3 7 A Y T 3 S+ 0 0 232 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.323 83.4 109.6-112.9 54.3 -14.8 19.3 16.0 4 8 A E < - 0 0 146 -3,-0.6 2,-0.0 -2,-0.3 6,-0.0 -0.866 66.5-109.6-123.2 155.8 -11.9 16.7 16.0 5 9 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.276 49.3 -81.6 -71.9 169.2 -11.8 13.1 14.6 6 10 A S > - 0 0 50 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.319 42.1-111.7 -63.2 156.3 -11.6 10.1 16.9 7 11 A P H > S+ 0 0 114 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.894 119.7 51.7 -62.9 -36.1 -8.1 9.4 18.2 8 12 A S H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.884 111.0 45.4 -68.7 -39.5 -8.1 6.2 16.1 9 13 A D H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 112.3 52.6 -70.3 -35.2 -9.1 8.0 12.9 10 14 A W H X S+ 0 0 107 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.919 108.2 50.4 -62.0 -44.1 -6.5 10.7 13.7 11 15 A A H X S+ 0 0 35 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.926 111.6 48.6 -62.4 -41.5 -3.8 8.0 14.1 12 16 A R H X S+ 0 0 102 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.939 112.7 47.8 -62.2 -44.2 -4.8 6.5 10.8 13 17 A K H X S+ 0 0 93 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.928 112.6 49.0 -65.5 -40.6 -4.7 9.8 9.1 14 18 A Q H X S+ 0 0 9 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.920 111.0 47.9 -65.4 -43.8 -1.3 10.7 10.6 15 19 A V H X S+ 0 0 20 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.877 111.1 52.7 -68.2 -33.0 0.4 7.5 9.6 16 20 A E H X S+ 0 0 85 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.927 113.2 42.1 -62.9 -48.9 -1.0 7.8 6.1 17 21 A T H X S+ 0 0 60 -4,-2.2 4,-2.0 2,-0.2 6,-0.3 0.921 115.1 51.5 -64.8 -42.6 0.4 11.3 5.6 18 22 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.7 8,-0.2 6,-0.3 0.953 117.7 36.8 -60.3 -53.7 3.6 10.4 7.3 19 23 A E H ><5S+ 0 0 46 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.914 116.2 50.9 -70.8 -42.0 4.3 7.3 5.1 20 24 A N H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.829 111.2 49.2 -69.4 -30.6 2.9 8.7 1.8 21 25 A S T ><5S- 0 0 24 -4,-2.0 3,-0.8 -5,-0.3 -1,-0.3 0.356 114.0-115.4 -84.6 4.3 5.0 11.8 2.1 22 26 A G T < 5S- 0 0 32 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.815 73.9 -54.5 61.7 31.0 8.2 9.9 2.8 23 27 A G T 3 S-A 32 0A 45 3,-2.5 3,-2.1 -2,-0.3 -2,-0.0 -0.950 85.3 -16.4-140.7 121.2 1.7 16.0 17.5 30 34 A Q T 3 S- 0 0 155 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 0.882 130.4 -53.5 47.4 38.0 1.1 19.1 19.6 31 35 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 222,-0.0 -3,-0.0 0.406 116.6 116.7 84.1 -2.0 4.5 20.3 18.5 32 36 A K E < S-A 29 0A 36 -3,-2.1 -3,-2.5 1,-0.1 -1,-0.2 -0.776 70.7-102.8-105.1 142.0 6.3 17.1 19.6 33 37 A P E -A 28 0A 8 0, 0.0 21,-2.6 0, 0.0 2,-0.3 -0.353 32.9-161.0 -70.8 144.0 8.0 14.7 17.2 34 38 A V E -B 53 0B 4 -7,-2.8 57,-0.5 19,-0.3 2,-0.3 -0.851 1.4-158.9-118.0 147.2 6.4 11.4 16.2 35 39 A V E -B 52 0B 1 17,-2.9 17,-2.4 -2,-0.3 2,-0.5 -0.803 17.2-127.1-115.3 166.7 8.0 8.3 14.7 36 40 A V E -BC 51 89B 0 53,-2.2 53,-2.5 -2,-0.3 2,-0.5 -0.972 19.9-157.2-117.5 120.1 6.4 5.5 12.7 37 41 A L E -BC 50 88B 0 13,-3.1 13,-2.4 -2,-0.5 2,-0.5 -0.833 1.6-156.4 -93.8 130.9 7.0 1.9 13.9 38 42 A T E +BC 49 87B 8 49,-3.1 49,-2.0 -2,-0.5 2,-0.3 -0.920 19.4 173.8-103.8 125.2 6.7 -0.9 11.5 39 43 A T E -B 48 0B 1 9,-2.8 9,-2.9 -2,-0.5 2,-0.5 -0.879 35.7-109.4-124.6 161.1 5.9 -4.3 13.1 40 44 A K E -B 47 0B 107 43,-0.3 7,-0.2 45,-0.3 2,-0.2 -0.790 42.7-110.1 -89.2 128.4 5.1 -7.8 11.6 41 45 A G > - 0 0 7 5,-3.0 4,-1.7 -2,-0.5 35,-0.1 -0.404 19.8-144.5 -63.1 123.9 1.5 -8.7 12.2 42 46 A A T 4 S+ 0 0 52 33,-0.2 -1,-0.2 -2,-0.2 34,-0.0 0.840 95.1 21.4 -57.8 -38.2 1.3 -11.5 14.8 43 47 A K T 4 S+ 0 0 205 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.889 133.8 33.3 -97.1 -51.9 -1.7 -13.2 13.2 44 48 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.712 87.9-134.5 -82.6 -21.1 -1.8 -11.9 9.6 45 49 A G < + 0 0 36 -4,-1.7 2,-0.1 1,-0.3 -3,-0.1 0.443 59.7 137.1 74.6 0.1 2.0 -11.6 8.9 46 50 A K - 0 0 126 -6,-0.1 -5,-3.0 1,-0.1 2,-0.4 -0.482 64.1-106.5 -78.9 150.7 1.3 -8.2 7.3 47 51 A L E -B 40 0B 98 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.619 38.9-161.3 -72.9 130.1 3.5 -5.2 8.0 48 52 A R E -B 39 0B 108 -9,-2.9 -9,-2.8 -2,-0.4 2,-0.4 -0.946 4.6-150.8-118.8 136.5 1.7 -2.8 10.3 49 53 A K E -B 38 0B 88 -2,-0.4 -11,-0.2 -11,-0.2 -34,-0.1 -0.927 14.6-178.7-114.4 133.5 2.6 0.8 10.7 50 54 A T E -B 37 0B 24 -13,-2.4 -13,-3.1 -2,-0.4 2,-0.3 -0.990 23.2-135.3-134.8 124.6 2.0 2.7 14.0 51 55 A P E +B 36 0B 26 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.658 36.0 167.6 -80.5 134.4 2.7 6.4 14.8 52 56 A L E -B 35 0B 21 -17,-2.4 -17,-2.9 -2,-0.3 2,-0.1 -0.932 41.8 -82.4-140.8 160.0 4.3 6.7 18.3 53 57 A M E -B 34 0B 15 -2,-0.3 2,-0.6 -19,-0.2 -19,-0.3 -0.459 47.0-115.5 -68.8 141.9 6.0 9.5 20.3 54 58 A R + 0 0 22 -21,-2.6 2,-0.4 -2,-0.1 9,-0.1 -0.694 39.3 169.0 -78.7 119.8 9.7 10.0 19.4 55 59 A V E +D 62 0B 2 -2,-0.6 7,-2.2 7,-0.5 2,-0.3 -0.951 16.3 170.7-129.6 110.3 12.0 9.2 22.4 56 60 A E E +D 61 0B 39 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.905 20.0 172.0-131.8 144.7 15.6 9.0 21.2 57 61 A H E > S-D 60 0B 71 3,-2.7 3,-2.1 -2,-0.3 -2,-0.0 -0.821 74.5 -28.8-153.9 114.0 19.0 8.8 22.8 58 62 A N T 3 S- 0 0 128 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.847 126.1 -43.6 48.2 44.0 22.3 8.3 20.9 59 63 A G T 3 S+ 0 0 27 1,-0.3 2,-0.3 79,-0.1 -1,-0.3 0.360 118.7 104.9 88.3 -6.1 20.6 6.3 18.1 60 64 A E E < -D 57 0B 59 -3,-2.1 -3,-2.7 78,-0.1 -1,-0.3 -0.764 52.8-157.8 -99.9 153.7 18.4 4.2 20.3 61 65 A Y E -DE 56 137B 23 76,-1.6 76,-3.3 -2,-0.3 2,-0.4 -0.925 5.5-154.6-125.0 157.8 14.7 4.8 20.6 62 66 A A E -DE 55 136B 2 -7,-2.2 -7,-0.5 -2,-0.3 2,-0.4 -0.970 7.2-162.3-126.3 146.0 12.1 3.9 23.2 63 67 A V E - E 0 135B 1 72,-2.3 72,-2.7 -2,-0.4 2,-0.5 -0.981 9.2-144.5-126.0 145.3 8.4 3.4 22.7 64 68 A V E - E 0 134B 8 -2,-0.4 2,-1.0 70,-0.2 70,-0.2 -0.926 4.3-151.4-107.8 128.1 5.6 3.5 25.3 65 69 A A + 0 0 4 68,-2.6 2,-0.3 -2,-0.5 -13,-0.0 -0.817 47.9 125.6 -99.2 94.5 2.6 1.2 24.8 66 70 A S - 0 0 23 -2,-1.0 2,-1.6 66,-0.1 7,-0.1 -0.836 49.1-157.1-157.5 118.6 -0.2 3.1 26.6 67 71 A L B > S-H 70 0C 108 3,-0.5 3,-1.5 5,-0.4 5,-0.1 -0.634 89.2 -52.2 -89.2 74.9 -3.7 4.2 25.6 68 72 A G T 3 S- 0 0 30 -2,-1.6 -1,-0.2 1,-0.3 59,-0.1 0.757 106.5 -52.9 66.7 26.3 -3.8 6.9 28.3 69 73 A G T 3 S+ 0 0 2 1,-0.3 60,-0.3 3,-0.1 -1,-0.3 0.424 98.7 144.1 87.1 0.7 -2.9 4.6 31.1 70 74 A A B < -H 67 0C 50 -3,-1.5 -3,-0.5 58,-0.1 -1,-0.3 -0.410 53.9-127.9 -71.9 151.5 -5.7 2.1 30.2 71 75 A P S S+ 0 0 59 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.789 77.3 98.9 -76.1 -28.2 -4.8 -1.6 30.8 72 76 A K S S- 0 0 162 -5,-0.1 -5,-0.4 1,-0.1 -2,-0.1 -0.443 75.1-127.3 -63.5 126.5 -5.7 -3.0 27.4 73 77 A H - 0 0 25 -2,-0.2 -1,-0.1 1,-0.1 -7,-0.1 -0.511 21.5-110.6 -72.8 136.8 -2.5 -3.4 25.3 74 78 A P >> - 0 0 16 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.293 31.3-113.3 -52.6 150.1 -2.4 -1.9 21.8 75 79 A V H >> S+ 0 0 108 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.876 114.6 64.3 -62.6 -36.2 -2.3 -4.6 19.1 76 80 A W H 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.757 89.9 68.4 -59.5 -23.3 1.2 -3.6 18.1 77 81 A Y H <> S+ 0 0 32 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.930 101.3 47.3 -56.6 -43.1 2.4 -4.7 21.5 78 82 A H H - F 0 93B 13 3,-2.6 3,-1.7 -2,-0.5 2,-0.2 -0.931 67.1 -55.8-126.0 96.0 12.0 9.3 12.1 91 95 A G T 3 S- 0 0 1 -2,-0.5 -67,-0.2 -57,-0.5 167,-0.1 -0.429 122.7 -11.1 66.1-132.7 11.1 11.9 9.5 92 96 A T T 3 S+ 0 0 56 165,-0.3 2,-0.4 -69,-0.2 -1,-0.3 0.550 122.4 82.7 -75.5 -8.1 12.8 11.0 6.1 93 97 A E E < -F 90 0B 83 -3,-1.7 -3,-2.6 -70,-0.1 2,-0.3 -0.800 54.0-178.0-106.0 142.1 15.1 8.4 7.6 94 98 A V E +F 89 0B 83 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.960 7.6 160.6-134.6 153.4 14.2 4.7 8.3 95 99 A G E -F 88 0B 20 -7,-1.7 -7,-2.2 -2,-0.3 2,-0.3 -0.963 35.7 -92.4-159.9 177.2 16.1 1.8 9.8 96 100 A D E +F 87 0B 57 -2,-0.3 44,-2.5 44,-0.3 2,-0.3 -0.791 38.6 177.1-104.5 143.3 16.0 -1.6 11.4 97 101 A Y E -FG 86 139B 30 -11,-2.8 -11,-2.6 -2,-0.3 2,-0.6 -0.935 31.7-129.2-140.6 156.7 15.9 -2.2 15.1 98 102 A T E -FG 85 138B 59 40,-2.3 40,-2.4 -2,-0.3 2,-0.4 -0.963 32.1-154.0-105.0 120.0 15.7 -5.0 17.7 99 103 A A E + G 0 137B 5 -15,-2.8 2,-0.4 -2,-0.6 38,-0.2 -0.820 17.3 174.0 -98.7 134.0 12.9 -4.1 20.2 100 104 A R E - G 0 136B 109 36,-1.9 36,-2.8 -2,-0.4 2,-0.3 -1.000 35.0-116.1-138.3 141.3 12.9 -5.5 23.7 101 105 A E E - G 0 135B 45 -2,-0.4 34,-0.2 34,-0.2 2,-0.2 -0.538 39.9-147.5 -68.9 130.7 10.7 -4.8 26.7 102 106 A V - 0 0 2 32,-2.5 32,-0.4 -2,-0.3 2,-0.3 -0.662 17.6-176.6-107.6 163.6 12.9 -3.2 29.4 103 107 A T >> + 0 0 104 -2,-0.2 4,-1.2 30,-0.1 3,-0.8 -0.844 44.1 11.5-143.7 169.7 12.8 -3.4 33.1 104 108 A G H 3> S- 0 0 37 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 -0.094 121.0 -8.5 62.4-146.4 14.5 -2.0 36.2 105 109 A E H 3> S+ 0 0 158 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.857 134.4 57.2 -55.6 -40.2 16.9 0.9 36.0 106 110 A E H <> S+ 0 0 62 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.926 108.4 47.0 -59.7 -44.2 16.9 0.9 32.2 107 111 A K H X S+ 0 0 46 -4,-1.2 4,-2.6 -3,-0.3 -2,-0.2 0.921 110.1 52.5 -64.4 -44.3 13.1 1.3 32.2 108 112 A R H X S+ 0 0 189 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.896 110.3 48.2 -57.8 -43.1 13.2 4.1 34.7 109 113 A V H X S+ 0 0 64 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.929 114.3 44.6 -67.7 -45.1 15.8 6.1 32.6 110 114 A W H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.875 110.3 55.8 -67.4 -36.9 13.9 5.7 29.4 111 115 A W H X S+ 0 0 38 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.929 105.8 51.4 -58.5 -44.4 10.6 6.5 31.1 112 116 A E H X S+ 0 0 144 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.913 110.4 49.5 -58.4 -42.5 12.1 9.8 32.3 113 117 A R H X S+ 0 0 68 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.904 110.7 50.0 -61.3 -40.9 13.2 10.6 28.7 114 118 A A H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 3,-0.3 0.896 107.0 53.1 -66.5 -41.5 9.7 9.8 27.4 115 119 A V H < S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.816 104.2 58.0 -66.1 -29.6 8.0 12.0 30.0 116 120 A E H < S+ 0 0 100 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.857 113.3 39.1 -66.4 -32.9 10.3 14.9 28.9 117 121 A V H < S+ 0 0 29 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.893 133.8 20.7 -80.5 -42.3 9.0 14.5 25.3 118 122 A W >< - 0 0 19 -4,-2.7 3,-2.5 -5,-0.1 4,-0.4 -0.769 66.6-172.3-134.3 84.6 5.4 13.9 26.2 119 123 A P T >> S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.772 79.4 73.3 -52.7 -28.7 4.5 15.1 29.8 120 124 A D H 3> S+ 0 0 76 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.781 79.0 75.9 -60.0 -24.4 1.1 13.5 29.6 121 125 A Y H <> S+ 0 0 14 -3,-2.5 4,-1.0 1,-0.2 -1,-0.3 0.905 91.3 55.3 -53.5 -39.5 2.8 10.1 30.1 122 126 A A H X4 S+ 0 0 36 -3,-1.4 3,-0.5 -4,-0.4 4,-0.4 0.900 105.8 50.6 -59.2 -41.9 3.3 11.0 33.7 123 127 A E H >< S+ 0 0 80 -4,-0.7 3,-1.5 -3,-0.4 4,-0.3 0.840 99.1 66.5 -62.5 -33.1 -0.5 11.6 34.1 124 128 A Y H >< S+ 0 0 36 -4,-1.8 3,-2.1 1,-0.3 4,-0.4 0.850 88.0 68.4 -59.4 -34.0 -1.3 8.2 32.5 125 129 A Q G X< S+ 0 0 89 -4,-1.0 3,-1.1 -3,-0.5 -1,-0.3 0.806 88.4 65.2 -54.0 -30.4 0.3 6.5 35.6 126 130 A T G < S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.635 104.2 45.3 -71.1 -12.4 -2.5 7.7 37.8 127 131 A K G < S+ 0 0 120 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.407 88.3 124.0-106.2 -3.1 -5.0 5.5 35.8 128 132 A T < + 0 0 56 -3,-1.1 -58,-0.1 -4,-0.4 3,-0.1 -0.213 26.9 165.0 -73.8 149.8 -3.0 2.3 35.6 129 133 A T S S+ 0 0 118 -60,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.269 76.4 40.2-131.4 0.5 -4.0 -1.2 36.8 130 134 A R S S- 0 0 134 -61,-0.2 -1,-0.2 -58,-0.0 -58,-0.0 -0.931 101.3 -81.0-141.3 159.5 -1.2 -3.0 34.9 131 135 A E - 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O 0 277E 194 36,-2.2 36,-2.6 -2,-0.5 2,-0.2 -1.000 39.8-106.3-145.3 142.7 14.3 38.0 7.3 242 105 B E E - O 0 276E 34 -2,-0.3 34,-0.3 34,-0.2 2,-0.2 -0.458 38.7-149.5 -70.5 138.1 13.1 36.9 10.7 243 106 B V - 0 0 10 32,-2.5 32,-0.4 -2,-0.2 2,-0.3 -0.663 14.8-176.0-109.3 160.6 9.4 35.7 10.7 244 107 B T >> + 0 0 104 -2,-0.2 4,-1.4 30,-0.1 3,-0.7 -0.841 43.4 9.8-142.1 175.7 6.7 35.7 13.3 245 108 B G H 3> S- 0 0 27 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.112 120.9 -4.8 61.1-141.3 3.1 34.6 14.0 246 109 B E H 3> S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 134.9 54.1 -55.7 -45.5 1.4 32.3 11.6 247 110 B E H <> S+ 0 0 93 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.905 109.7 48.4 -60.3 -40.8 4.2 32.3 9.1 248 111 B K H X S+ 0 0 33 -4,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.917 107.3 54.6 -69.3 -38.5 6.6 31.3 11.9 249 112 B R H X S+ 0 0 164 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.887 108.1 49.7 -65.0 -35.3 4.4 28.5 13.1 250 113 B V H X S+ 0 0 65 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.949 115.0 42.8 -64.8 -49.6 4.3 26.9 9.6 251 114 B W H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.822 109.8 58.5 -68.9 -32.3 8.0 27.0 9.2 252 115 B W H X S+ 0 0 22 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.931 104.4 50.1 -61.3 -45.3 8.6 25.8 12.7 253 116 B E H X S+ 0 0 89 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.924 110.4 51.0 -58.1 -43.5 6.6 22.7 12.1 254 117 B R H X S+ 0 0 56 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.886 109.4 51.3 -60.6 -38.2 8.7 22.1 9.0 255 118 B A H >X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 3,-0.5 0.923 107.8 50.1 -66.7 -43.4 11.9 22.6 11.0 256 119 B V H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 104.4 60.5 -66.0 -29.7 10.9 20.0 13.7 257 120 B E H 3< S+ 0 0 22 -4,-1.8 -165,-0.3 -5,-0.2 -1,-0.2 0.869 113.5 36.9 -61.8 -34.9 10.2 17.6 10.9 258 121 B V H << S+ 0 0 26 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.914 135.0 19.2 -84.2 -42.8 13.8 17.8 9.8 259 122 B W >< - 0 0 28 -4,-2.9 3,-2.4 1,-0.1 4,-0.3 -0.824 67.8-171.8-133.1 87.8 15.5 18.1 13.2 260 123 B P T > S+ 0 0 6 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.758 78.0 72.5 -59.9 -23.7 13.1 16.8 15.9 261 124 B D T >> S+ 0 0 34 1,-0.3 4,-2.1 2,-0.2 3,-0.6 0.721 77.6 79.6 -64.6 -18.0 15.4 18.0 18.7 262 125 B Y H <> S+ 0 0 12 -3,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.849 86.0 60.8 -52.8 -34.6 14.4 21.6 17.9 263 126 B A H <> S+ 0 0 2 -3,-1.7 4,-1.3 -4,-0.3 -1,-0.2 0.903 105.1 46.3 -60.3 -42.1 11.2 20.8 19.8 264 127 B E H <> S+ 0 0 62 -3,-0.6 4,-1.3 -4,-0.5 -1,-0.2 0.891 109.5 53.7 -65.4 -42.0 13.2 20.1 23.0 265 128 B Y H X S+ 0 0 40 -4,-2.1 4,-1.4 1,-0.2 3,-0.5 0.920 106.5 54.1 -59.3 -41.9 15.3 23.2 22.6 266 129 B Q H < S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 104.3 53.2 -61.6 -35.7 12.1 25.3 22.3 267 130 B T H < S+ 0 0 81 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.806 113.3 44.7 -70.0 -27.6 10.7 24.0 25.6 268 131 B K H < S+ 0 0 110 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.655 88.6 102.9 -91.3 -21.0 14.0 25.0 27.5 269 132 B T < - 0 0 31 -4,-1.4 -58,-0.1 -3,-0.2 4,-0.1 -0.268 59.7-147.7 -73.3 155.3 14.7 28.4 26.1 270 133 B T S S+ 0 0 123 -60,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.649 83.8 26.0 -85.8 -19.1 14.0 31.7 28.1 271 134 B R S S- 0 0 119 1,-0.1 -1,-0.1 -5,-0.0 -2,-0.0 -0.922 101.3 -65.0-146.2 163.5 13.3 33.6 24.8 272 135 B E - 0 0 91 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.103 44.3-125.2 -52.5 143.8 12.0 33.1 21.3 273 136 B I - 0 0 8 -4,-0.1 -66,-0.1 -66,-0.0 2,-0.1 -0.834 32.5-122.0 -88.9 116.9 14.1 31.0 18.9 274 137 B P - 0 0 1 0, 0.0 -68,-2.6 0, 0.0 2,-0.5 -0.422 27.7-169.3 -68.5 135.5 14.8 33.2 15.8 275 138 B V E -M 205 0E 1 -32,-0.4 -32,-2.5 -70,-0.2 2,-0.4 -0.995 3.7-161.6-121.4 122.4 13.6 31.7 12.5 276 139 B F E -MO 204 242E 1 -72,-2.6 -72,-2.4 -2,-0.5 2,-0.5 -0.899 6.3-149.9-101.6 137.1 14.7 33.4 9.3 277 140 B V E -MO 203 241E 5 -36,-2.6 -36,-2.2 -2,-0.4 2,-0.6 -0.888 10.6-149.4-105.3 132.4 12.9 32.7 6.0 278 141 B L E -MO 202 240E 0 -76,-3.7 -76,-1.8 -2,-0.5 -38,-0.2 -0.930 11.0-166.9-103.2 116.8 15.1 33.0 2.9 279 142 B T E - O 0 239E 61 -40,-2.4 -40,-2.5 -2,-0.6 -78,-0.1 -0.893 30.5-103.6-107.5 134.4 13.3 34.2 -0.2 280 143 B P E O 0 238E 74 0, 0.0 -42,-0.3 0, 0.0 -1,-0.1 -0.154 360.0 360.0 -55.3 141.5 15.0 33.8 -3.6 281 144 B R 0 0 179 -44,-2.2 -43,-0.2 0, 0.0 -55,-0.0 0.521 360.0 360.0-127.8 360.0 16.4 37.0 -5.1