==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-09 3L61 . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.-T.LEE,R.F.WILSON,I.RUPNIEWSKI,D.B.GOODIN . 396 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 0 2 0 0 2 0 2 1 1 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 10 A N 0 0 170 0, 0.0 2,-0.6 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0 -6.7 23.6 37.6 31.1 2 11 A L - 0 0 70 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.870 360.0-137.7 -99.9 117.4 25.4 34.3 31.4 3 12 A A - 0 0 32 45,-2.7 46,-0.0 -2,-0.6 49,-0.0 -0.517 35.2 -97.8 -71.7 133.2 24.7 32.3 34.5 4 13 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.213 48.0 -94.1 -54.4 143.2 27.8 30.7 36.0 5 14 A L - 0 0 45 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.413 41.6-121.8 -64.0 119.5 28.4 27.1 35.0 6 15 A P > - 0 0 36 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.258 24.0-112.1 -60.4 149.3 26.9 24.7 37.7 7 16 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.779 114.0 55.8 -57.2 -29.1 29.4 22.3 39.2 8 17 A H T 3 S+ 0 0 50 2,-0.1 287,-0.2 1,-0.0 -3,-0.0 0.628 90.7 84.6 -80.8 -10.8 27.7 19.2 37.6 9 18 A V S < S- 0 0 5 -3,-1.7 2,-0.1 285,-0.1 5,-0.1 -0.809 77.6-134.4 -98.9 115.5 28.0 20.6 34.0 10 19 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.410 15.0-127.3 -71.1 142.5 31.3 19.9 32.3 11 20 A E G > S+ 0 0 164 1,-0.3 3,-1.7 2,-0.2 35,-0.1 0.777 103.7 68.1 -61.4 -29.1 32.8 23.0 30.4 12 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.663 96.9 56.2 -66.4 -16.6 33.2 21.1 27.1 13 22 A L G < S+ 0 0 13 -3,-1.8 33,-2.6 28,-0.1 2,-0.3 0.409 80.6 115.8 -93.1 1.9 29.4 20.9 26.8 14 23 A V B < +a 46 0A 34 -3,-1.7 2,-0.3 31,-0.2 33,-0.2 -0.551 27.4 159.0 -81.8 131.5 28.8 24.7 27.1 15 24 A F - 0 0 55 31,-2.6 2,-2.3 -2,-0.3 30,-0.1 -0.853 34.4-141.4-148.7 110.8 27.3 26.4 24.1 16 25 A D + 0 0 57 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.307 34.2 165.9 -84.2 63.1 25.7 29.7 24.9 17 26 A F - 0 0 8 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.599 26.2-151.2 -77.0 131.8 22.7 29.7 22.6 18 27 A D > - 0 0 37 -2,-0.3 3,-1.1 3,-0.2 -2,-0.0 -0.888 4.4-165.2-105.0 104.9 20.0 32.2 23.4 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.680 90.0 49.3 -64.6 -17.0 16.6 30.8 22.2 20 29 A Y T 3 S+ 0 0 78 1,-0.2 357,-0.4 358,-0.1 -1,-0.3 0.622 130.2 14.6 -96.5 -15.2 15.0 34.3 22.4 21 30 A N S < S- 0 0 106 -3,-1.1 -1,-0.2 355,-0.1 -3,-0.2 -0.405 80.1-169.0-155.4 67.5 17.7 36.1 20.4 22 31 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.338 28.3-120.9 -70.0 147.6 19.9 33.7 18.6 23 32 A S T 3 S+ 0 0 135 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.802 108.5 47.8 -52.1 -39.2 23.1 35.0 17.0 24 33 A N T > S+ 0 0 70 8,-0.3 3,-2.4 1,-0.2 -1,-0.3 0.243 72.8 123.9 -94.8 18.4 22.3 34.0 13.4 25 34 A L G X + 0 0 36 -3,-1.7 3,-1.9 1,-0.3 350,-0.3 0.754 65.3 61.7 -56.3 -36.8 18.7 35.4 13.4 26 35 A S G 3 S+ 0 0 117 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.745 98.6 59.8 -59.2 -24.6 19.2 37.7 10.3 27 36 A A G < S- 0 0 50 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.445 131.1 -72.3 -80.6 -1.9 20.0 34.6 8.3 28 37 A G <> - 0 0 10 -3,-1.9 4,-2.2 -4,-0.2 -1,-0.3 -0.076 42.6-103.8 111.7 140.8 16.6 33.1 9.0 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 119.2 49.7 -70.8 -41.9 15.4 31.6 12.3 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 112.9 49.2 -58.8 -41.7 15.6 28.0 11.4 31 40 A E H > S+ 0 0 60 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.888 108.1 54.9 -62.3 -38.6 19.2 28.7 10.1 32 41 A A H >< S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.2 -8,-0.3 0.892 112.3 42.3 -62.7 -40.6 19.9 30.4 13.4 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.827 101.5 69.7 -74.6 -30.8 18.9 27.4 15.4 34 43 A A H >< S+ 0 0 21 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.600 75.8 82.9 -67.0 -10.5 20.7 25.0 13.0 35 44 A V G X< S+ 0 0 33 -3,-0.7 3,-1.6 -4,-0.5 -1,-0.3 0.798 81.8 67.1 -54.6 -30.5 24.0 26.4 14.3 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.598 95.2 55.7 -68.4 -10.2 23.4 23.8 17.1 37 46 A Q G < S+ 0 0 16 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.167 76.4 124.5-111.3 13.0 23.8 21.1 14.5 38 47 A E S X S- 0 0 106 -3,-1.6 3,-2.0 1,-0.1 -3,-0.0 -0.416 76.9-106.3 -68.1 153.1 27.3 22.1 13.4 39 48 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.715 116.3 55.6 -58.4 -29.4 29.9 19.3 13.7 40 49 A N T 3 S+ 0 0 115 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.242 89.7 91.8 -87.8 8.2 31.7 20.8 16.7 41 50 A V S < S- 0 0 6 -3,-2.0 -28,-0.1 -6,-0.0 4,-0.1 -0.933 76.6-127.6-108.3 123.1 28.5 20.9 18.8 42 51 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.130 24.8-108.1 -61.2 165.5 27.7 17.9 21.0 43 52 A D S S+ 0 0 54 1,-0.2 14,-2.8 13,-0.1 15,-0.7 0.714 110.7 31.8 -65.4 -25.9 24.3 16.2 20.8 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.977 78.5 173.9-140.6 118.7 23.4 17.6 24.2 45 54 A V E - B 0 55A 0 10,-2.4 10,-2.6 -2,-0.4 2,-0.5 -0.802 26.3-130.4-123.8 162.7 24.7 21.0 25.3 46 55 A W E -aB 14 54A 10 -33,-2.6 -31,-2.6 -2,-0.3 2,-0.4 -0.973 17.6-160.3-112.1 129.0 24.3 23.5 28.2 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.2 -2,-0.5 -31,-0.2 -0.913 13.7-154.7-103.8 139.3 23.6 27.1 27.6 48 57 A R > + 0 0 78 -2,-0.4 -45,-2.7 4,-0.2 3,-0.6 0.460 67.6 104.4 -85.1 -3.5 24.3 29.7 30.3 49 58 A C G > S+ 0 0 5 -32,-0.3 3,-2.5 1,-0.2 -2,-0.1 -0.329 77.7 19.0 -72.6 158.4 21.7 31.9 28.7 50 59 A N G 3 S- 0 0 53 -49,-0.3 -1,-0.2 1,-0.3 -48,-0.1 0.818 142.8 -47.3 50.6 38.0 18.2 32.4 30.1 51 60 A G G < S- 0 0 61 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.168 104.9 -70.5 94.5 -14.3 19.3 31.1 33.6 52 61 A G < + 0 0 13 -3,-2.5 249,-0.3 1,-0.1 2,-0.3 0.404 66.2 162.7 97.5 125.6 21.1 28.1 32.2 53 62 A H E -B 47 0A 1 -6,-2.2 -6,-2.8 247,-0.1 249,-0.2 -0.983 36.5 -97.5-165.6 158.6 19.6 25.0 30.7 54 63 A W E -Bc 46 302A 0 247,-2.6 249,-3.2 -2,-0.3 2,-0.4 -0.474 28.2-160.4 -76.7 154.2 20.2 21.9 28.6 55 64 A I E -Bc 45 303A 0 -10,-2.6 -10,-2.4 247,-0.2 2,-0.5 -0.964 9.3-150.0-134.0 122.6 19.5 21.8 24.9 56 65 A A E -B 44 0A 0 247,-2.3 -12,-0.2 -2,-0.4 252,-0.1 -0.817 15.4-174.3 -84.1 128.8 19.2 18.5 22.9 57 66 A T + 0 0 0 -14,-2.8 2,-0.4 -2,-0.5 -13,-0.1 0.510 54.3 66.7-106.2 -8.0 20.3 19.3 19.4 58 67 A R S >> S- 0 0 4 -15,-0.7 4,-2.2 1,-0.1 3,-0.5 -0.917 77.8-123.6-123.6 144.9 19.6 16.1 17.5 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.9 250,-0.3 5,-0.3 0.832 108.0 59.7 -52.1 -39.6 16.3 14.4 16.5 60 69 A Q H 3> S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 112.5 37.4 -57.6 -46.1 17.3 11.1 18.2 61 70 A L H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.858 114.5 54.4 -76.6 -37.8 17.7 12.7 21.6 62 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.944 112.7 44.4 -59.8 -47.6 14.7 15.1 21.2 63 72 A R H X S+ 0 0 55 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.936 113.2 50.9 -62.2 -48.0 12.5 12.2 20.4 64 73 A E H X S+ 0 0 67 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.887 109.6 49.1 -59.6 -40.8 13.8 10.0 23.2 65 74 A A H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.910 109.9 51.3 -69.6 -40.1 13.4 12.7 25.9 66 75 A Y H < S+ 0 0 6 -4,-2.0 272,-0.6 1,-0.2 -1,-0.2 0.835 111.8 48.9 -61.5 -30.4 9.8 13.3 24.7 67 76 A E H < S+ 0 0 112 -4,-1.8 2,-1.5 1,-0.2 -2,-0.2 0.792 99.8 69.3 -74.7 -31.2 9.1 9.6 25.0 68 77 A D >X + 0 0 37 -4,-1.7 4,-2.5 1,-0.2 3,-0.8 -0.502 56.0 157.9 -93.9 69.9 10.7 9.4 28.5 69 78 A Y T 34 + 0 0 93 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.718 66.0 67.4 -67.2 -21.9 8.0 11.3 30.4 70 79 A R T 34 S+ 0 0 179 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.866 116.1 25.7 -68.1 -34.9 9.0 9.7 33.7 71 80 A H T <4 S+ 0 0 47 -3,-0.8 215,-2.1 1,-0.2 2,-0.8 0.784 123.1 53.8 -92.5 -33.6 12.4 11.6 33.6 72 81 A F E < S-D 285 0A 1 -4,-2.5 -1,-0.2 -7,-0.3 213,-0.2 -0.832 79.4-166.1-112.9 92.0 11.4 14.5 31.5 73 82 A S E > -D 284 0A 16 211,-2.7 211,-2.1 -2,-0.8 3,-0.5 -0.493 26.4-144.6 -84.9 146.6 8.3 16.2 33.1 74 83 A S T 3 S+ 0 0 6 13,-0.4 -1,-0.1 1,-0.2 13,-0.1 0.316 74.9 104.7 -86.6 7.1 5.9 18.7 31.6 75 84 A E T 3 S+ 0 0 120 1,-0.3 -1,-0.2 209,-0.2 11,-0.1 0.850 97.3 26.4 -56.9 -35.8 5.5 20.5 35.0 76 85 A C S < S+ 0 0 52 -3,-0.5 -1,-0.3 1,-0.1 -3,-0.0 -0.798 78.3 166.8-123.9 86.9 7.7 23.2 33.6 77 86 A P + 0 0 11 0, 0.0 205,-2.5 0, 0.0 2,-0.3 0.387 55.9 55.5 -87.8 3.2 7.2 23.0 29.8 78 87 A F S S- 0 0 93 203,-0.2 203,-0.1 225,-0.1 225,-0.0 -0.987 84.1 -99.9-135.4 143.4 8.9 26.3 28.8 79 88 A I 0 0 2 -2,-0.3 300,-0.1 1,-0.2 -28,-0.1 -0.911 360.0 360.0 -92.5 130.7 12.2 28.0 29.2 80 89 A P 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.997 360.0 360.0 -92.5 360.0 12.3 30.1 31.3 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 98 A F > 0 0 53 0, 0.0 4,-1.0 0, 0.0 143,-0.2 0.000 360.0 360.0 360.0 144.5 -3.9 25.2 30.5 83 99 A I T 4 - 0 0 8 141,-0.5 145,-0.3 1,-0.3 146,-0.2 -0.908 360.0 -0.3-113.3 135.7 -5.0 21.5 30.2 84 100 A P T >4 S+ 0 0 9 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.884 106.0 88.9-103.9 26.8 -3.4 19.1 29.3 85 101 A T T 34 S+ 0 0 31 1,-0.3 -2,-0.2 2,-0.1 7,-0.0 0.841 90.6 47.1 -44.4 -50.9 -0.1 20.9 28.6 86 102 A S T 3< 0 0 49 -4,-1.0 -1,-0.3 -11,-0.1 -3,-0.1 0.111 360.0 360.0 -94.9 22.4 1.4 20.6 32.2 87 103 A M < 0 0 64 -3,-1.7 -13,-0.4 -13,-0.1 -2,-0.1 0.189 360.0 360.0-139.2 360.0 0.7 16.9 32.8 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 105 A P > 0 0 67 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -42.8 -0.8 9.8 32.7 90 106 A P H > + 0 0 74 0, 0.0 4,-1.3 0, 0.0 123,-0.1 0.889 360.0 42.4 -62.3 -35.1 -4.3 8.3 33.3 91 107 A E H > S+ 0 0 75 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.941 111.8 54.4 -72.9 -46.5 -5.8 11.8 33.4 92 108 A Q H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 107.7 50.8 -49.7 -48.6 -3.7 13.0 30.5 93 109 A R H X S+ 0 0 151 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.888 111.4 47.5 -60.8 -40.4 -5.0 10.1 28.4 94 110 A Q H X S+ 0 0 61 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.911 111.5 49.1 -67.4 -44.1 -8.7 10.9 29.2 95 111 A F H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.898 112.4 49.4 -64.5 -38.3 -8.4 14.6 28.5 96 112 A R H X S+ 0 0 43 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.882 107.7 53.1 -67.1 -38.4 -6.7 13.8 25.2 97 113 A A H X S+ 0 0 56 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.926 111.5 47.5 -60.1 -42.8 -9.4 11.3 24.2 98 114 A L H >X S+ 0 0 5 -4,-2.1 4,-0.7 2,-0.2 3,-0.6 0.931 111.4 49.2 -64.8 -45.5 -11.9 14.1 24.9 99 115 A A H >X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 3,-1.1 0.888 106.0 58.2 -61.8 -36.7 -10.0 16.7 22.9 100 116 A N H 3X S+ 0 0 68 -4,-2.7 4,-1.5 1,-0.3 7,-0.3 0.804 97.7 61.7 -62.9 -27.7 -9.8 14.1 20.1 101 117 A Q H << S+ 0 0 119 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.801 113.0 35.8 -62.1 -30.4 -13.6 14.1 20.0 102 118 A V H << S+ 0 0 5 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.720 132.7 22.3-101.7 -23.6 -13.6 17.8 19.2 103 119 A V H < S+ 0 0 6 -4,-1.9 243,-0.3 4,-0.1 242,-0.2 0.265 91.5 123.3-126.9 9.7 -10.6 18.2 16.9 104 120 A G S >X S- 0 0 5 -4,-1.5 4,-2.3 -5,-0.3 3,-0.7 -0.085 80.0 -87.8 -65.7 170.5 -10.0 14.7 15.5 105 121 A M H 3> S+ 0 0 76 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.842 124.5 56.2 -48.7 -45.6 -10.0 13.7 11.9 106 122 A P H 3> S+ 0 0 88 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.910 111.2 45.2 -57.9 -39.4 -13.8 13.1 11.6 107 123 A V H <> S+ 0 0 38 -3,-0.7 4,-2.1 -7,-0.3 -2,-0.2 0.934 113.7 49.0 -66.5 -46.6 -14.4 16.7 12.8 108 124 A V H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.924 109.3 52.5 -60.0 -44.2 -11.7 18.1 10.5 109 125 A D H < S+ 0 0 86 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.892 111.4 47.0 -60.3 -38.8 -13.2 16.2 7.5 110 126 A K H < S+ 0 0 172 -4,-1.7 3,-0.3 -5,-0.2 4,-0.3 0.839 115.5 45.8 -67.9 -34.5 -16.6 17.7 8.3 111 127 A L H >X S+ 0 0 23 -4,-2.1 4,-2.0 1,-0.2 3,-0.8 0.609 85.2 98.3 -82.9 -16.0 -15.2 21.2 8.7 112 128 A E H 3X S+ 0 0 52 -4,-1.4 4,-2.1 1,-0.3 -1,-0.2 0.826 82.7 44.6 -49.5 -48.4 -13.0 21.2 5.6 113 129 A N H 3> S+ 0 0 94 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.3 0.833 110.3 55.8 -73.1 -25.6 -15.2 23.0 3.1 114 130 A R H <> S+ 0 0 103 -3,-0.8 4,-2.2 -4,-0.3 -1,-0.2 0.883 107.9 50.3 -65.2 -38.0 -16.1 25.7 5.7 115 131 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.919 110.7 49.1 -62.5 -43.2 -12.4 26.2 6.1 116 132 A Q H X S+ 0 0 62 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.899 108.6 52.9 -63.5 -40.5 -12.2 26.5 2.3 117 133 A E H X S+ 0 0 101 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.920 111.5 45.9 -64.8 -39.0 -15.1 29.0 2.2 118 134 A L H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 112.3 50.0 -66.6 -45.9 -13.3 31.2 4.8 119 135 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.916 111.2 50.8 -57.8 -44.4 -10.0 31.0 3.0 120 136 A C H X S+ 0 0 20 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.921 108.9 49.8 -60.6 -46.6 -11.7 32.0 -0.2 121 137 A S H X S+ 0 0 69 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.919 113.7 46.3 -61.5 -43.0 -13.5 35.0 1.3 122 138 A L H X S+ 0 0 22 -4,-2.4 4,-1.2 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4,-1.8 -3,-0.2 -1,-0.2 0.876 108.8 52.5 -68.0 -34.7 -12.2 32.4 12.7 146 162 A I H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.900 106.5 53.7 -68.6 -36.5 -11.7 28.6 12.4 147 163 A F H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.906 106.3 52.3 -61.4 -39.1 -11.8 28.4 16.1 148 164 A M H X>S+ 0 0 9 -4,-1.8 5,-2.6 2,-0.2 4,-0.5 0.877 111.1 47.9 -64.1 -37.3 -15.1 30.2 16.2 149 165 A L H ><5S+ 0 0 71 -4,-1.8 3,-0.8 3,-0.2 -2,-0.2 0.945 114.6 45.4 -62.4 -51.7 -16.5 27.8 13.6 150 166 A L H 3<5S+ 0 0 13 -4,-2.7 53,-2.5 1,-0.2 -2,-0.2 0.878 120.2 39.9 -58.8 -42.0 -15.2 24.8 15.6 151 167 A A H 3<5S- 0 0 0 -4,-2.8 -1,-0.2 51,-0.2 53,-0.2 0.370 106.4-121.2 -96.1 1.5 -16.5 26.1 18.9 152 168 A G T <<5 + 0 0 37 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.908 58.9 152.0 59.8 44.4 -19.9 27.5 17.6 153 169 A L < - 0 0 13 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.1 -0.825 47.9-102.0-108.3 148.8 -19.0 31.1 18.8 154 170 A P > - 0 0 59 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.374 19.3-126.1 -76.7 149.4 -20.4 34.2 17.1 155 171 A E G > S+ 0 0 141 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-11,-0.0 -1,-0.2 -0.999 74.3-130.9-137.9 137.0 -3.2 43.3 30.7 176 192 A T > - 0 0 76 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.348 40.2-103.4 -70.0 165.5 -0.9 40.9 32.5 177 193 A F H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.938 125.0 50.9 -54.8 -48.1 -0.8 37.3 31.4 178 194 A A H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 110.6 48.9 -58.4 -42.1 -2.9 36.4 34.5 179 195 A E H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 112.0 47.7 -63.6 -43.1 -5.4 39.1 33.7 180 196 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 113.5 48.3 -66.8 -43.0 -5.8 38.0 30.0 181 197 A K H X S+ 0 0 61 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.940 112.3 48.1 -61.0 -48.8 -6.2 34.4 31.0 182 198 A E H X S+ 0 0 87 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.873 110.1 51.8 -63.9 -35.5 -8.8 35.2 33.6 183 199 A A H X S+ 0 0 17 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.873 108.3 52.3 -67.2 -36.3 -10.7 37.4 31.1 184 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.929 111.7 46.0 -59.8 -44.7 -10.7 34.5 28.7 185 201 A Y H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.873 106.9 58.0 -66.1 -37.0 -12.1 32.3 31.5 186 202 A D H < S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.861 112.1 43.0 -57.4 -38.2 -14.7 35.0 32.3 187 203 A Y H X S+ 0 0 40 -4,-1.6 4,-0.7 -5,-0.1 -2,-0.2 0.918 118.0 42.8 -74.0 -46.5 -15.8 34.7 28.7 188 204 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 3,-0.2 0.844 99.4 70.6 -72.8 -37.8 -15.8 30.9 28.5 189 205 A I H X S+ 0 0 38 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.899 99.7 44.0 -52.9 -51.2 -17.4 30.0 31.9 190 206 A P H > S+ 0 0 72 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.866 115.3 50.3 -64.8 -32.0 -20.9 31.1 31.1 191 207 A I H X S+ 0 0 32 -4,-0.7 4,-2.5 -3,-0.2 -2,-0.2 0.919 110.7 48.2 -70.4 -43.5 -20.8 29.5 27.7 192 208 A I H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.937 113.5 48.0 -59.8 -49.1 -19.6 26.2 29.1 193 209 A E H X S+ 0 0 102 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.917 112.6 48.8 -55.7 -49.0 -22.3 26.3 31.9 194 210 A Q H X S+ 0 0 120 -4,-2.5 4,-2.3 1,-0.2 3,-0.3 0.912 114.8 44.4 -57.7 -45.5 -25.0 27.1 29.3 195 211 A R H < S+ 0 0 45 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S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.921 112.6 47.3 -54.2 -46.5 -20.7 21.6 24.1 206 222 A I H < S+ 0 0 53 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.921 114.5 45.4 -67.2 -44.7 -18.7 18.3 23.7 207 223 A V H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.936 110.9 53.7 -61.3 -45.8 -16.0 19.3 26.2 208 224 A A H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.754 112.1 45.5 -62.5 -25.7 -18.6 20.6 28.7 209 225 A N T 3< S+ 0 0 75 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.271 91.7 115.2-101.6 9.7 -20.4 17.2 28.6 210 226 A G < - 0 0 8 -3,-1.7 7,-2.4 -4,-0.2 2,-0.3 -0.172 55.2-133.8 -75.2 170.9 -17.3 15.1 28.9 211 227 A Q E -H 216 0C 115 5,-0.3 2,-0.3 -117,-0.1 -113,-0.1 -0.950 16.1-174.2-126.2 145.0 -16.3 12.7 31.7 212 228 A V E > S-H 215 0C 0 3,-2.9 3,-1.8 -2,-0.3 -121,-0.1 -0.990 74.0 -4.1-138.2 139.6 -13.1 12.1 33.7 213 229 A N T 3 S- 0 0 87 -2,-0.3 -1,-0.1 1,-0.3 -122,-0.0 0.790 130.2 -56.1 53.2 33.6 -12.4 9.4 36.3 214 230 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.460 123.1 85.9 82.4 3.1 -16.0 8.3 36.1 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