==== 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 OXIDOREDUCTASE 28-MAY-98 6CP4 . COMPND 2 MOLECULE: CYTOCHROME P450CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.LI,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 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 . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 3 0 0 2 0 2 2 0 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 0 197 0, 0.0 2,-0.3 0, 0.0 50,-0.3 0.000 360.0 360.0 360.0 138.6 7.9 26.3 33.1 2 11 A L - 0 0 72 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.727 360.0-122.9 -91.3 140.4 9.4 28.2 30.1 3 12 A A - 0 0 20 45,-2.5 49,-0.0 -2,-0.3 -1,-0.0 -0.586 39.3 -85.7 -82.5 150.9 13.1 27.8 29.7 4 13 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.314 49.3-106.5 -57.7 134.4 15.3 30.9 29.7 5 14 A L - 0 0 44 1,-0.1 6,-0.1 -3,-0.1 43,-0.1 -0.442 34.6-121.3 -65.9 122.3 15.6 32.6 26.2 6 15 A P > - 0 0 32 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 -0.484 21.1-117.5 -66.3 139.9 19.0 32.0 24.6 7 16 A P T 3 S+ 0 0 138 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.746 110.8 57.0 -44.9 -39.9 21.0 35.2 23.8 8 17 A H T 3 S+ 0 0 49 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.629 87.7 90.7 -73.4 -12.2 21.0 34.5 20.0 9 18 A V S < S- 0 0 5 -3,-2.6 2,-0.1 292,-0.1 5,-0.1 -0.745 76.3-133.4 -90.1 114.5 17.2 34.3 19.8 10 19 A P > - 0 0 49 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.420 14.7-128.4 -65.8 140.6 15.5 37.7 19.0 11 20 A E G > S+ 0 0 162 1,-0.3 3,-1.5 2,-0.2 35,-0.1 0.799 104.7 64.6 -59.8 -29.3 12.4 38.3 21.3 12 21 A H G 3 S+ 0 0 150 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.576 98.3 56.6 -72.1 -7.5 10.1 39.1 18.4 13 22 A L G < S+ 0 0 13 -3,-2.0 33,-2.6 28,-0.1 2,-0.3 0.414 81.8 111.4-101.2 -0.8 10.6 35.5 17.2 14 23 A V B < +a 46 0A 35 -3,-1.5 2,-0.3 -4,-0.2 33,-0.2 -0.581 30.5 160.7 -79.5 132.7 9.4 33.9 20.5 15 24 A F - 0 0 54 31,-2.5 2,-2.1 -2,-0.3 30,-0.1 -0.828 33.1-142.0-151.4 104.4 6.0 32.1 20.4 16 25 A D + 0 0 58 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.430 33.6 165.7 -78.1 71.9 5.6 29.7 23.4 17 26 A F - 0 0 9 -2,-2.1 2,-0.8 32,-0.1 32,-0.2 -0.738 27.2-149.4 -88.2 129.4 3.8 26.8 21.7 18 27 A D > - 0 0 46 -2,-0.4 3,-1.9 3,-0.2 -2,-0.1 -0.863 5.2-165.0-104.1 102.3 3.7 23.6 23.8 19 28 A M T 3 S+ 0 0 0 -2,-0.8 -1,-0.1 1,-0.3 14,-0.0 0.633 90.4 52.6 -59.4 -17.5 3.6 20.6 21.3 20 29 A Y T 3 S+ 0 0 45 1,-0.2 364,-0.4 -3,-0.0 -1,-0.3 0.551 128.1 14.4 -97.2 -6.6 2.6 18.4 24.2 21 30 A N S < S- 0 0 102 -3,-1.9 -3,-0.2 362,-0.1 -1,-0.2 -0.352 78.6-163.7-165.5 68.5 -0.4 20.5 25.3 22 31 A P > - 0 0 2 0, 0.0 3,-1.3 0, 0.0 11,-0.1 -0.273 25.3-122.5 -58.1 146.3 -1.4 23.1 22.7 23 32 A S T 3 S+ 0 0 114 1,-0.3 3,-0.4 9,-0.2 10,-0.1 0.849 107.3 44.4 -60.4 -41.9 -3.7 25.9 24.0 24 33 A N T > S+ 0 0 76 8,-0.3 3,-2.5 1,-0.2 -1,-0.3 0.135 72.0 128.4 -98.3 30.7 -6.6 25.5 21.6 25 34 A L G X + 0 0 26 -3,-1.3 3,-1.6 1,-0.3 357,-0.4 0.714 62.4 68.3 -54.5 -27.7 -6.6 21.7 21.9 26 35 A S G 3 S+ 0 0 124 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.726 94.4 57.0 -67.3 -22.7 -10.4 21.8 22.7 27 36 A A G < S- 0 0 58 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.442 132.7 -77.7 -85.9 -0.6 -11.0 22.9 19.1 28 37 A G <> - 0 0 9 -3,-1.6 4,-2.2 -4,-0.2 -1,-0.3 -0.050 42.3 -95.2 112.0 143.0 -9.2 19.8 17.9 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.898 122.1 50.0 -57.5 -47.8 -5.5 19.1 17.7 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 113.4 48.2 -58.1 -42.3 -4.9 20.2 14.0 31 40 A E H > S+ 0 0 63 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.900 109.5 53.8 -62.4 -42.5 -6.8 23.4 14.8 32 41 A A H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -8,-0.3 0.863 112.1 43.0 -61.4 -39.4 -4.6 23.8 17.9 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.799 102.8 68.1 -77.0 -29.6 -1.5 23.5 15.8 34 43 A A H >< S+ 0 0 21 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.612 78.0 80.2 -67.0 -11.1 -2.8 25.8 13.0 35 44 A V G X< S+ 0 0 17 -3,-0.6 3,-1.4 -4,-0.5 -1,-0.3 0.799 82.7 66.8 -65.7 -22.3 -2.7 28.8 15.4 36 45 A L G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.534 96.2 55.6 -72.0 -10.3 1.0 28.8 14.5 37 46 A Q G < S+ 0 0 9 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.145 80.6 117.6-108.5 14.9 0.0 29.7 10.9 38 47 A E S X S- 0 0 101 -3,-1.4 3,-2.0 1,-0.1 -3,-0.0 -0.454 81.7-104.4 -77.7 159.1 -2.0 32.8 11.9 39 48 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.685 117.0 63.4 -58.3 -21.7 -0.8 36.2 10.6 40 49 A N T 3 S+ 0 0 103 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.561 91.2 81.1 -82.0 -5.2 0.7 37.2 14.0 41 50 A V S < S- 0 0 8 -3,-2.0 -28,-0.1 -6,-0.1 4,-0.1 -0.878 77.5-129.4-111.6 124.0 3.2 34.4 13.9 42 51 A P - 0 0 44 0, 0.0 3,-0.2 0, 0.0 15,-0.1 -0.054 29.6-107.5 -56.7 167.5 6.5 34.5 11.9 43 52 A D S S+ 0 0 59 1,-0.2 14,-3.1 256,-0.1 15,-0.6 0.787 111.1 30.6 -68.0 -32.3 7.5 31.6 9.5 44 53 A L E S+ B 0 56A 5 12,-0.2 -1,-0.2 13,-0.1 2,-0.2 -0.981 80.2 171.6-132.6 117.1 10.1 30.4 12.0 45 54 A V E - B 0 55A 0 10,-2.1 10,-2.2 -2,-0.4 2,-0.5 -0.738 28.0-126.8-120.8 171.3 9.6 30.9 15.7 46 55 A W E -aB 14 54A 10 -33,-2.6 -31,-2.5 8,-0.2 2,-0.4 -0.987 17.8-160.3-121.2 122.4 11.2 29.9 19.0 47 56 A T E - B 0 53A 0 6,-3.3 6,-2.5 -2,-0.5 -31,-0.2 -0.837 11.6-157.2-102.0 143.4 9.2 28.3 21.8 48 57 A R > + 0 0 74 -2,-0.4 -45,-2.5 4,-0.3 3,-0.6 0.475 63.9 106.6 -93.1 -5.7 10.6 28.3 25.3 49 58 A C G > S+ 0 0 12 -32,-0.2 3,-2.7 1,-0.2 -47,-0.1 -0.265 77.4 16.7 -70.0 162.3 8.4 25.3 26.2 50 59 A N G 3 S- 0 0 49 -49,-0.3 31,-0.4 1,-0.3 -1,-0.2 0.790 144.1 -42.6 43.8 41.0 9.9 21.8 26.6 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.152 105.1 -75.3 97.2 -18.5 13.4 23.1 27.0 52 61 A G < + 0 0 7 -3,-2.7 256,-0.3 1,-0.1 2,-0.3 0.468 64.4 158.2 96.1 122.1 13.3 25.6 24.2 53 62 A H E -B 47 0A 1 -6,-2.5 -6,-3.3 254,-0.1 256,-0.2 -0.977 37.5 -97.5-166.5 164.3 13.4 25.0 20.5 54 63 A W E -Bc 46 309A 0 254,-2.4 256,-2.7 -2,-0.3 2,-0.3 -0.413 26.5-160.6 -85.6 162.1 12.6 26.4 17.0 55 64 A I E -Bc 45 310A 0 -10,-2.2 -10,-2.1 254,-0.2 2,-0.5 -0.941 10.1-147.5-146.2 119.3 9.4 25.5 15.0 56 65 A A E -B 44 0A 0 254,-2.0 -12,-0.2 -2,-0.3 -13,-0.1 -0.812 14.0-171.1 -86.7 127.7 9.1 26.0 11.2 57 66 A T + 0 0 0 -14,-3.1 2,-0.4 -2,-0.5 -13,-0.1 0.487 55.1 74.7-100.2 -6.6 5.4 26.9 10.6 58 67 A R S > S- 0 0 10 -15,-0.6 4,-2.2 1,-0.1 3,-0.5 -0.881 75.2-129.3-115.4 144.6 5.3 26.8 6.8 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.7 257,-0.3 5,-0.3 0.874 107.9 58.4 -52.5 -41.5 5.3 23.9 4.3 60 69 A Q H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 110.6 40.4 -56.9 -46.4 8.1 25.5 2.3 61 70 A L H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.860 113.7 53.3 -71.5 -39.6 10.5 25.6 5.3 62 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.920 112.1 45.2 -62.3 -45.3 9.6 22.2 6.6 63 72 A R H X S+ 0 0 46 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.945 114.0 50.3 -62.4 -49.1 10.3 20.6 3.2 64 73 A E H X S+ 0 0 70 -4,-2.1 4,-2.3 -5,-0.3 3,-0.3 0.908 112.1 45.1 -54.0 -53.0 13.5 22.5 2.8 65 74 A A H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.871 110.3 55.0 -62.1 -39.7 14.9 21.5 6.2 66 75 A Y H < S+ 0 0 5 -4,-2.1 279,-0.4 -5,-0.2 -1,-0.2 0.802 110.8 46.7 -66.0 -25.6 13.8 17.9 5.7 67 76 A E H < S+ 0 0 114 -4,-1.5 2,-1.9 -3,-0.3 -2,-0.2 0.923 100.1 68.1 -80.7 -43.4 15.9 17.9 2.5 68 77 A D >X + 0 0 39 -4,-2.3 4,-2.3 1,-0.2 3,-1.1 -0.458 54.6 161.1 -82.1 77.2 19.0 19.5 3.8 69 78 A Y T 34 + 0 0 81 -2,-1.9 -1,-0.2 1,-0.3 5,-0.1 0.684 65.6 72.5 -69.7 -19.7 20.3 16.8 6.2 70 79 A R T 34 S+ 0 0 178 -3,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.839 115.1 22.8 -65.3 -29.1 23.7 18.3 6.2 71 80 A H T <4 S+ 0 0 44 -3,-1.1 222,-1.8 1,-0.2 2,-0.7 0.764 127.2 49.3-102.3 -36.3 22.4 21.1 8.4 72 81 A F E < S-D 292 0A 0 -4,-2.3 2,-0.3 -7,-0.3 -1,-0.2 -0.879 82.1-163.7-111.7 96.1 19.3 19.5 9.9 73 82 A S E > -D 291 0A 1 218,-2.8 218,-1.5 -2,-0.7 3,-0.6 -0.598 26.9-143.9 -88.1 144.1 20.4 16.1 11.3 74 83 A S T 3 S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 20,-0.1 0.494 80.5 98.3 -77.7 -6.7 18.3 13.1 12.3 75 84 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.865 97.9 20.8 -49.6 -44.8 20.7 12.4 15.1 76 85 A C S < S+ 0 0 7 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.709 77.9 154.5-127.6 77.9 18.5 14.1 17.7 77 86 A P + 0 0 1 0, 0.0 212,-2.7 0, 0.0 2,-0.3 0.442 47.3 74.1 -87.7 -3.4 15.0 14.2 16.1 78 87 A F S S- 0 0 16 210,-0.2 6,-0.7 3,-0.1 7,-0.1 -0.863 76.1-110.3-115.3 149.4 12.7 14.3 19.1 79 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.917 91.3 53.4-112.8 140.7 11.8 17.1 21.6 80 89 A P S >> S- 0 0 27 0, 0.0 4,-2.0 0, 0.0 3,-1.5 0.606 89.4-123.9 -71.7 170.4 12.6 17.4 24.5 81 90 A R H 3> S+ 0 0 82 -31,-0.4 4,-2.4 1,-0.3 5,-0.3 0.818 108.3 62.2 -52.4 -38.3 16.3 17.0 24.1 82 91 A E H 3> S+ 0 0 134 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.839 109.1 42.9 -58.7 -35.0 16.4 14.1 26.6 83 92 A A H <> S+ 0 0 7 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.906 111.6 53.3 -76.6 -45.3 14.2 12.1 24.2 84 93 A G H < S+ 0 0 0 -4,-2.0 -2,-0.2 -6,-0.7 -1,-0.2 0.818 112.3 45.3 -59.4 -33.9 16.0 13.2 21.1 85 94 A E H < S+ 0 0 133 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.859 114.2 46.5 -78.3 -38.5 19.3 12.0 22.5 86 95 A A H < S+ 0 0 18 -4,-1.4 2,-0.3 -5,-0.3 -2,-0.2 0.746 90.2 101.5 -74.3 -24.3 18.0 8.6 23.9 87 96 A Y < + 0 0 12 -4,-2.0 -9,-0.1 1,-0.1 98,-0.0 -0.481 37.2 154.9 -64.2 118.6 16.3 8.1 20.5 88 97 A D + 0 0 34 -2,-0.3 -1,-0.1 143,-0.1 5,-0.1 0.052 14.4 146.7-136.3 25.1 18.4 5.6 18.6 89 98 A F > - 0 0 3 145,-0.1 4,-2.4 3,-0.1 143,-0.2 -0.320 48.5 -95.2 -64.3 148.5 16.0 3.9 16.2 90 99 A I T 4 S+ 0 0 1 141,-0.6 145,-0.2 1,-0.2 -2,-0.1 -0.921 97.4 2.1-114.1 138.7 17.3 2.9 12.8 91 100 A P T >4 S+ 0 0 10 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.991 123.1 66.4 -93.7 9.8 17.3 4.2 10.2 92 101 A T T 34 S+ 0 0 26 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.687 99.4 52.7 -59.0 -26.1 15.5 7.3 11.7 93 102 A S T 3< S+ 0 0 21 -4,-2.4 2,-0.3 -5,-0.1 -1,-0.3 0.307 100.9 79.1 -94.4 9.9 18.5 8.4 13.9 94 103 A M < - 0 0 10 -3,-1.9 -6,-0.0 -5,-0.1 -5,-0.0 -0.875 67.9-140.8-119.6 152.9 20.9 8.3 10.9 95 104 A D >> - 0 0 40 -2,-0.3 4,-1.1 1,-0.1 3,-0.6 -0.628 46.2 -50.6-105.2 157.8 21.6 10.8 8.1 96 105 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.417 117.2 24.6 -63.4 151.2 22.4 9.9 4.5 97 106 A P T >4 S+ 0 0 111 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.992 119.9 56.2 -89.4 -5.6 24.3 8.0 3.2 98 107 A E T <> S+ 0 0 120 -3,-0.6 4,-0.6 1,-0.3 3,-0.3 0.830 103.5 55.8 -50.8 -41.1 24.5 5.8 6.4 99 108 A Q H 3X S+ 0 0 14 -4,-1.1 4,-2.8 1,-0.2 5,-0.3 0.746 85.6 89.5 -67.6 -19.8 20.7 5.1 6.5 100 109 A R H <> S+ 0 0 178 -3,-1.7 4,-1.9 1,-0.2 3,-0.2 0.884 89.5 38.4 -41.6 -66.4 20.7 3.8 3.0 101 110 A Q H > S+ 0 0 69 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.861 118.0 50.9 -57.7 -39.2 21.4 0.1 3.6 102 111 A F H X S+ 0 0 10 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.862 107.6 52.3 -68.3 -37.1 19.2 0.1 6.7 103 112 A R H X S+ 0 0 62 -4,-2.8 4,-1.9 -3,-0.2 -1,-0.2 0.879 106.4 54.9 -66.0 -39.4 16.3 1.7 4.9 104 113 A A H X S+ 0 0 53 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.914 109.0 47.4 -61.1 -43.6 16.4 -1.0 2.2 105 114 A L H >X S+ 0 0 2 -4,-1.6 4,-1.1 1,-0.2 3,-0.6 0.937 110.9 49.5 -66.0 -45.6 16.2 -3.8 4.8 106 115 A A H 3X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.858 107.1 58.7 -61.5 -31.9 13.3 -2.2 6.6 107 116 A N H 3X S+ 0 0 66 -4,-1.9 4,-2.2 1,-0.2 7,-0.3 0.843 97.3 59.4 -67.0 -32.5 11.6 -1.8 3.2 108 117 A Q H << S+ 0 0 113 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.870 112.3 40.0 -63.1 -37.0 11.8 -5.6 2.6 109 118 A V H < S+ 0 0 3 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.796 133.6 16.8 -84.9 -33.6 9.7 -6.1 5.7 110 119 A V H < S+ 0 0 12 -4,-2.0 243,-0.4 100,-0.1 -3,-0.2 0.441 100.3 112.4-119.5 -0.7 7.1 -3.3 5.5 111 120 A G S X S- 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 3,-0.2 0.258 85.8 -76.7 -63.0-172.0 7.4 -2.2 1.9 112 121 A M H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.904 125.0 55.6 -55.6 -49.2 5.0 -2.5 -1.1 113 122 A P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.899 108.3 48.2 -51.7 -49.1 5.6 -6.2 -1.8 114 123 A V H > S+ 0 0 22 -7,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.847 109.1 53.1 -62.4 -38.2 4.7 -7.2 1.8 115 124 A V H X S+ 0 0 2 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.906 109.5 49.2 -66.2 -38.6 1.5 -5.1 1.7 116 125 A D H >< S+ 0 0 93 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.954 110.7 51.0 -63.3 -48.0 0.5 -6.9 -1.5 117 126 A K H 3< S+ 0 0 148 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.842 116.5 39.5 -56.6 -40.5 1.2 -10.2 0.1 118 127 A L H >X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 3,-1.0 0.466 81.6 107.0 -91.9 -2.5 -1.0 -9.4 3.2 119 128 A E H S+ 0 0 131 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.3 0.862 109.0 46.9 -63.9 -38.2 -6.1 -10.6 1.9 121 130 A R H <> S+ 0 0 116 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.850 112.2 52.3 -70.3 -35.8 -5.6 -10.8 5.7 122 131 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.972 112.7 43.2 -61.7 -52.4 -6.1 -7.0 5.9 123 132 A Q H X S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.889 114.4 53.3 -58.6 -42.3 -9.4 -7.2 4.0 124 133 A E H X S+ 0 0 109 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.944 110.4 44.3 -58.8 -53.4 -10.3 -10.3 6.1 125 134 A L H X S+ 0 0 31 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.921 111.7 51.7 -62.0 -46.8 -9.7 -8.6 9.5 126 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.962 113.0 45.3 -55.5 -53.1 -11.5 -5.3 8.7 127 136 A C H X S+ 0 0 23 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.899 114.7 49.9 -55.9 -44.5 -14.6 -7.2 7.5 128 137 A S H X S+ 0 0 62 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.961 111.6 44.9 -60.1 -57.2 -14.4 -9.4 10.6 129 138 A L H X S+ 0 0 18 -4,-3.0 4,-1.7 1,-0.2 3,-0.2 0.915 117.2 46.9 -54.6 -43.9 -14.1 -6.7 13.2 130 139 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.896 106.8 54.8 -70.1 -39.6 -16.8 -4.6 11.5 131 140 A E H < S+ 0 0 63 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.780 107.9 52.6 -66.1 -25.0 -19.3 -7.5 11.1 132 141 A S H < S+ 0 0 77 -4,-1.5 4,-0.5 -3,-0.2 -1,-0.2 0.944 113.2 42.1 -72.1 -47.2 -19.0 -8.1 14.8 133 142 A L H >X S+ 0 0 9 -4,-1.7 3,-1.5 1,-0.2 4,-0.7 0.873 95.2 81.9 -66.6 -40.4 -19.8 -4.4 15.7 134 143 A R G >< S+ 0 0 45 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.780 92.4 44.7 -35.9 -53.5 -22.5 -4.0 13.1 135 144 A P G 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.788 100.4 71.4 -67.6 -28.5 -25.4 -5.6 15.3 136 145 A Q G <4 S- 0 0 110 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.1 0.757 87.3-144.6 -59.4 -31.5 -24.4 -3.7 18.4 137 146 A G S << S+ 0 0 10 -3,-0.8 260,-2.4 -4,-0.7 2,-0.3 0.646 74.7 44.8 73.0 13.2 -25.6 -0.4 17.2 138 147 A Q E +F 396 0B 123 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.962 57.3 167.5-173.9 164.4 -22.7 1.2 19.0 139 148 A C E -F 395 0B 11 256,-1.9 256,-2.8 -2,-0.3 2,-0.9 -0.955 42.0-113.8-177.7 157.9 -18.9 1.0 19.8 140 149 A N E >> -F 394 0B 38 -2,-0.3 4,-2.8 254,-0.2 3,-1.5 -0.852 35.8-160.3-103.0 90.9 -15.9 2.9 21.2 141 150 A F H 3>>S+ 0 0 0 252,-1.9 5,-2.6 -2,-0.9 4,-1.7 0.765 81.2 61.8 -42.3 -39.4 -14.1 3.1 17.9 142 151 A T H 34>S+ 0 0 8 251,-0.2 5,-0.9 1,-0.2 -1,-0.3 0.896 120.3 22.5 -60.7 -40.9 -10.7 3.7 19.5 143 152 A E H <45S+ 0 0 114 -3,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.784 123.6 52.9 -98.3 -25.5 -10.6 0.4 21.2 144 153 A D H <5S- 0 0 52 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.600 134.6 -12.8 -83.3 -16.5 -13.1 -1.6 19.2 145 154 A Y T X5S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -3,-0.2 0.426 120.8 66.1-147.8 -56.5 -11.4 -1.0 15.8 146 155 A A T 4 S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.902 110.2 54.3 -57.8 -50.7 -7.2 -4.0 16.9 149 158 A F H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 5,-0.2 0.969 118.7 29.1 -52.2 -64.7 -7.3 -3.7 13.1 150 159 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.910 123.5 49.5 -65.1 -45.0 -3.9 -2.1 12.6 151 160 A I H X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.924 109.8 48.8 -62.6 -45.3 -2.2 -3.6 15.6 152 161 A R H X S+ 0 0 86 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.879 110.7 52.1 -64.3 -35.6 -3.3 -7.2 15.0 153 162 A I H X S+ 0 0 3 -4,-1.5 4,-2.0 -5,-0.4 -1,-0.2 0.910 112.5 46.1 -66.0 -37.6 -2.1 -6.9 11.3 154 163 A F H X S+ 0 0 9 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.888 110.1 51.7 -70.9 -40.4 1.2 -5.7 12.6 155 164 A M H X>S+ 0 0 3 -4,-2.9 5,-2.1 1,-0.2 4,-1.4 0.920 110.1 52.1 -61.7 -36.6 1.5 -8.4 15.2 156 165 A L H <5S+ 0 0 77 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.896 111.0 46.1 -63.3 -46.3 0.8 -10.9 12.4 157 166 A L H <5S+ 0 0 16 -4,-2.0 53,-2.5 1,-0.2 -2,-0.2 0.921 118.8 40.5 -65.3 -41.4 3.6 -9.4 10.2 158 167 A A H <5S- 0 0 2 -4,-2.6 53,-0.5 51,-0.2 -1,-0.2 0.584 107.4-124.1 -84.5 -11.7 6.1 -9.4 13.1 159 168 A G T <5 + 0 0 35 -4,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.925 58.1 147.3 67.8 48.2 5.0 -12.7 14.5 160 169 A L < - 0 0 12 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.1 -0.905 54.5 -96.8-119.1 144.5 4.3 -11.5 18.0 161 170 A P > - 0 0 51 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.330 20.2-139.0 -57.9 128.7 1.6 -12.7 20.5 162 171 A E G > S+ 0 0 97 1,-0.3 3,-1.0 2,-0.2 -7,-0.0 0.710 102.6 74.7 -62.1 -12.5 -1.5 -10.6 20.5 163 172 A E G 3 S+ 0 0 148 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.806 89.1 56.4 -67.4 -29.0 -1.2 -11.0 24.2 164 173 A D G <> S+ 0 0 46 -3,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.501 79.2 96.0 -83.8 -3.9 1.7 -8.5 24.3 165 174 A I H <> S+ 0 0 27 -3,-1.0 4,-3.2 -4,-0.3 5,-0.3 0.909 80.5 50.0 -55.0 -51.7 -0.3 -5.7 22.7 166 175 A P H > S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.916 114.9 43.9 -57.3 -42.0 -1.4 -3.9 25.9 167 176 A H H > S+ 0 0 95 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.927 117.3 46.3 -66.5 -45.5 2.2 -3.8 27.2 168 177 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.874 111.1 51.0 -67.1 -37.1 3.6 -2.8 23.9 169 178 A K H X S+ 0 0 18 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.931 108.3 52.5 -67.8 -42.2 1.0 -0.1 23.2 170 179 A Y H X S+ 0 0 90 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.923 110.3 48.0 -57.7 -47.6 1.6 1.5 26.6 171 180 A L H X S+ 0 0 3 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.874 114.0 45.3 -62.2 -42.5 5.3 1.7 26.0 172 181 A T H >X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 3,-0.6 0.816 107.9 58.7 -72.1 -28.5 4.9 3.2 22.5 173 182 A D H >X S+ 0 0 39 -4,-2.5 4,-3.3 1,-0.2 3,-0.8 0.901 102.7 54.3 -63.8 -39.9 2.3 5.6 23.9 174 183 A Q H 3< S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.696 106.1 52.5 -67.0 -19.9 5.0 6.9 26.3 175 184 A M H << S+ 0 0 5 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.604 123.4 25.7 -90.3 -15.8 7.3 7.6 23.4 176 185 A T H << S+ 0 0 2 -3,-0.8 210,-2.1 -4,-0.8 211,-0.6 0.689 138.4 19.3-114.8 -39.0 4.8 9.7 21.4 177 186 A R S < S- 0 0 41 -4,-3.3 -2,-0.1 -5,-0.2 208,-0.1 -0.559 82.0-156.3-136.9 71.4 2.4 11.1 24.0 178 187 A P - 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.166 12.2-166.9 -50.0 130.0 4.2 10.9 27.4 179 188 A D - 0 0 105 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.392 51.0-103.0-101.1 0.5 1.9 10.9 30.4 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.120 99.5 103.1 101.9 -19.7 4.7 11.5 32.9 181 190 A S S S+ 0 0 64 1,-0.1 2,-0.3 2,-0.0 -7,-0.0 0.829 89.2 19.8 -64.4 -34.1 5.1 8.0 34.2 182 191 A M S S- 0 0 43 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.1 -0.988 70.9-128.6-139.9 151.9 8.2 7.3 32.1 183 192 A T > - 0 0 78 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.451 40.7-103.5 -87.9 164.1 10.9 9.2 30.3 184 193 A F H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.959 122.7 52.9 -55.6 -50.4 11.7 8.3 26.7 185 194 A A H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 109.2 49.3 -52.7 -40.6 14.8 6.4 27.7 186 195 A E H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 111.7 47.0 -67.7 -42.9 12.9 4.3 30.2 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 113.6 51.1 -63.1 -39.3 10.1 3.4 27.7 188 197 A K H X S+ 0 0 21 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.906 108.4 49.3 -64.3 -46.8 12.9 2.6 25.2 189 198 A E H X S+ 0 0 93 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.880 110.8 49.9 -62.8 -37.8 14.8 0.3 27.5 190 199 A A H X S+ 0 0 24 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.913 111.9 48.9 -65.1 -43.2 11.6 -1.6 28.5 191 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.915 112.0 49.1 -60.8 -45.4 10.8 -2.0 24.8 192 201 A Y H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.837 105.9 56.2 -64.8 -34.8 14.4 -3.2 24.2 193 202 A D H < S+ 0 0 107 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.811 109.7 47.6 -65.9 -31.4 14.2 -5.7 27.1 194 203 A Y H X S+ 0 0 31 -4,-1.4 4,-0.8 -3,-0.3 -2,-0.2 0.924 116.2 43.5 -73.0 -46.1 11.1 -7.1 25.3 195 204 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.903 98.8 70.4 -67.0 -46.6 12.8 -7.3 22.0 196 205 A I H X S+ 0 0 84 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.838 100.9 42.0 -42.6 -56.5 16.3 -8.7 22.9 197 206 A P H > S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 115.9 51.7 -63.3 -37.0 15.4 -12.3 23.9 198 207 A I H X S+ 0 0 19 -4,-0.8 4,-2.1 -3,-0.3 -2,-0.2 0.890 109.8 48.3 -64.7 -41.0 13.0 -12.5 20.9 199 208 A I H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.910 110.8 52.9 -64.6 -44.4 15.8 -11.3 18.5 200 209 A E H >X S+ 0 0 81 -4,-2.3 4,-1.6 -5,-0.2 3,-0.8 0.963 110.4 46.0 -53.0 -57.5 18.2 -13.9 20.1 201 210 A Q H 3X S+ 0 0 98 -4,-2.4 4,-3.1 1,-0.3 -1,-0.2 0.858 114.5 47.7 -56.7 -41.3 15.7 -16.7 19.5 202 211 A R H 3< S+ 0 0 41 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.662 107.2 54.7 -79.2 -16.2 15.0 -15.7 15.9 203 212 A R H << S+ 0 0 87 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.762 116.3 40.6 -81.3 -29.5 18.7 -15.2 15.0 204 213 A Q H < S+ 0 0 125 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.923 132.5 22.2 -79.6 -54.2 19.2 -18.8 16.2 205 214 A K S < S- 0 0 169 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.769 90.2-154.5-117.8 80.8 16.0 -20.3 14.7 206 215 A P - 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S+ 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.257 95.7 119.1-109.0 12.5 19.1 -12.1 10.0 217 226 A G < - 0 0 11 -3,-1.9 7,-2.2 -5,-0.2 2,-0.4 -0.043 61.0-120.8 -72.7 176.2 19.4 -9.4 7.3 218 227 A Q E -H 223 0C 109 5,-0.2 2,-0.5 -117,-0.1 3,-0.1 -0.976 19.8-169.4-123.9 130.9 22.5 -8.1 5.7 219 228 A V E > S-H 222 0C 1 3,-2.4 3,-1.0 -2,-0.4 -117,-0.1 -0.954 73.7 -20.0-125.2 110.1 23.7 -4.5 5.9 220 229 A N T 3 S- 0 0 111 -2,-0.5 2,-0.2 1,-0.2 -1,-0.1 0.937 125.9 -48.3 59.7 54.0 26.5 -3.4 3.6 221 230 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.010 124.4 81.1 83.2 -31.2 28.0 -6.9 2.9 222 231 A R E < S-H 219 0C 97 -3,-1.0 -3,-2.4 -2,-0.2 -1,-0.2 -0.584 89.0 -88.2-106.6 164.0 28.1 -8.0 6.5 223 232 A P E -H 218 0C 82 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.411 46.6-104.8 -68.8 149.0 25.4 -9.4 8.8 224 233 A I - 0 0 2 -7,-2.2 2,-0.1 -10,-0.2 -4,-0.0 -0.476 39.2-120.9 -70.8 145.2 23.2 -7.0 10.8 225 234 A T > - 0 0 56 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.448 19.0-111.8 -83.7 165.6 24.2 -6.9 14.5 226 235 A 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