==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-MAY-04 1T85 . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR S.NAGANO,T.TOSHA,K.ISHIMORI,I.MORISHIMA,T.L.POULOS . 406 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 67.5 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 . 16 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 36.9 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 4 0 0 2 0 2 2 0 1 1 1 0 1 1 0 0 0 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 9 A A 0 0 134 0, 0.0 2,-0.8 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0-130.2 18.7 -15.7 13.2 2 10 A N + 0 0 153 2,-0.0 2,-0.5 0, 0.0 49,-0.4 -0.456 360.0 147.8 -97.6 59.2 20.8 -15.1 16.3 3 11 A L - 0 0 56 -2,-0.8 47,-0.2 47,-0.1 3,-0.1 -0.849 43.6-134.7 -98.9 124.4 18.7 -12.1 17.5 4 12 A A - 0 0 26 45,-3.4 -2,-0.0 -2,-0.5 2,-0.0 -0.512 37.2 -92.3 -75.0 142.7 18.5 -11.6 21.3 5 13 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.308 48.4-100.5 -58.5 132.7 15.0 -10.9 22.6 6 14 A L - 0 0 51 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.310 39.3-120.0 -56.4 125.4 14.4 -7.1 22.9 7 15 A P > - 0 0 36 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.414 23.4-111.6 -68.3 145.6 14.8 -5.9 26.5 8 16 A P T 3 S+ 0 0 142 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.773 114.6 50.6 -46.4 -38.2 11.7 -4.3 28.1 9 17 A H T 3 S+ 0 0 53 2,-0.1 294,-0.2 1,-0.1 -3,-0.0 0.596 90.0 90.4 -82.7 -9.2 13.2 -0.9 28.3 10 18 A V S < S- 0 0 4 -3,-2.0 5,-0.1 292,-0.1 -1,-0.1 -0.775 79.2-127.5 -92.7 111.3 14.3 -0.7 24.6 11 19 A P > - 0 0 46 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.260 9.9-134.2 -58.9 134.0 11.6 0.7 22.3 12 20 A E G > S+ 0 0 167 1,-0.3 3,-1.5 2,-0.2 35,-0.1 0.807 102.1 63.6 -58.0 -32.3 10.7 -1.5 19.3 13 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.651 96.9 58.1 -70.1 -13.0 10.9 1.5 16.9 14 22 A L G < S+ 0 0 14 -3,-1.7 33,-2.8 32,-0.1 2,-0.3 0.383 80.7 120.3 -95.3 3.9 14.6 2.0 17.7 15 23 A V B < +a 47 0A 39 -3,-1.5 2,-0.3 31,-0.2 33,-0.2 -0.533 25.4 158.5 -76.6 130.7 15.4 -1.5 16.5 16 24 A F - 0 0 60 31,-2.4 2,-2.3 -2,-0.3 30,-0.1 -0.826 34.2-141.8-150.2 101.3 17.9 -2.0 13.7 17 25 A D + 0 0 56 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.373 33.4 166.8 -73.8 71.8 19.6 -5.4 13.6 18 26 A F - 0 0 8 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.673 25.3-151.8 -86.4 134.9 23.1 -4.5 12.6 19 27 A D > - 0 0 50 -2,-0.3 3,-1.8 3,-0.1 -2,-0.0 -0.885 4.7-165.9-111.0 101.3 25.8 -7.2 13.0 20 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.657 89.5 50.5 -60.3 -17.7 29.2 -5.6 13.5 21 29 A Y T 3 S+ 0 0 50 1,-0.2 364,-0.4 366,-0.0 -1,-0.3 0.476 131.3 12.5 -99.1 -4.3 31.0 -8.9 12.8 22 30 A N S < S- 0 0 102 -3,-1.8 -1,-0.2 362,-0.1 -2,-0.2 -0.270 80.2-164.9-168.2 67.0 29.1 -9.6 9.6 23 31 A P > - 0 0 2 0, 0.0 3,-1.6 0, 0.0 11,-0.1 -0.328 27.4-120.0 -63.1 140.6 27.2 -6.6 8.3 24 32 A S T 3 S+ 0 0 114 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.819 108.9 45.0 -48.6 -44.3 24.6 -7.2 5.6 25 33 A N T > S+ 0 0 77 8,-0.3 3,-1.6 1,-0.2 -1,-0.3 -0.013 72.6 125.3 -97.5 34.5 26.1 -5.0 2.9 26 34 A L G X + 0 0 22 -3,-1.6 3,-2.8 1,-0.3 357,-0.3 0.859 62.5 67.5 -57.6 -40.2 29.7 -6.2 3.4 27 35 A S G 3 S+ 0 0 125 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.662 96.1 57.2 -57.6 -16.2 30.2 -7.1 -0.2 28 36 A A G < S- 0 0 63 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.479 132.4 -70.8 -93.0 -3.1 29.9 -3.4 -1.1 29 37 A G <> - 0 0 8 -3,-2.8 4,-2.0 -4,-0.2 -1,-0.3 -0.156 42.0-102.8 121.5 142.7 32.9 -2.6 1.2 30 38 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.926 121.1 48.1 -64.5 -44.5 33.1 -2.6 5.0 31 39 A Q H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 113.3 49.6 -60.9 -39.5 32.8 1.2 5.4 32 40 A E H > S+ 0 0 60 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.850 107.5 55.4 -66.1 -34.8 29.8 1.2 3.0 33 41 A A H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -8,-0.3 0.880 111.3 42.3 -66.3 -39.6 28.3 -1.6 5.0 34 42 A W H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.822 102.2 70.6 -75.7 -30.1 28.5 0.4 8.2 35 43 A A H >< S+ 0 0 22 -4,-1.9 3,-2.3 1,-0.3 -1,-0.2 0.682 78.1 78.2 -60.8 -18.8 27.3 3.5 6.4 36 44 A V G X< S+ 0 0 14 -3,-0.6 3,-1.7 -4,-0.5 -1,-0.3 0.815 82.5 67.1 -60.4 -27.3 23.8 1.9 6.1 37 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.612 98.0 54.0 -67.8 -10.7 23.4 3.0 9.7 38 46 A Q G < S+ 0 0 12 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.172 80.5 125.8-109.9 16.8 23.5 6.5 8.4 39 47 A E S X S- 0 0 104 -3,-1.7 3,-2.0 1,-0.1 -3,-0.0 -0.307 77.1 -89.6 -73.1 162.0 20.7 6.2 5.8 40 48 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.794 120.6 37.4 -35.6 -59.4 17.7 8.6 5.8 41 49 A N T 3 S+ 0 0 135 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.305 88.7 110.3 -87.0 10.1 15.3 6.8 8.1 42 50 A V < - 0 0 8 -3,-2.0 4,-0.1 -6,-0.1 -28,-0.1 -0.757 69.3-123.1 -90.8 123.4 17.8 5.4 10.6 43 51 A P - 0 0 49 0, 0.0 3,-0.2 0, 0.0 15,-0.1 -0.126 19.8-115.2 -57.9 157.7 17.6 7.0 14.1 44 52 A D S S+ 0 0 52 1,-0.2 14,-3.3 13,-0.1 15,-0.6 0.832 108.7 32.6 -63.3 -32.5 20.7 8.6 15.6 45 53 A L E S+ B 0 57A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.974 79.2 172.1-130.8 117.1 20.7 5.9 18.3 46 54 A V E - B 0 56A 0 10,-2.2 10,-2.0 -2,-0.4 2,-0.5 -0.779 26.5-131.4-122.1 165.9 19.5 2.4 17.5 47 55 A W E -aB 15 55A 8 -33,-2.8 -31,-2.4 -2,-0.3 2,-0.4 -0.973 16.7-160.7-119.5 125.9 19.4 -0.9 19.2 48 56 A T E - B 0 54A 0 6,-2.7 6,-2.2 -2,-0.5 -31,-0.2 -0.863 13.8-153.6-105.5 139.9 20.5 -4.1 17.5 49 57 A R > + 0 0 82 -2,-0.4 -45,-3.4 4,-0.2 3,-0.6 0.448 66.2 106.8 -88.2 -0.1 19.5 -7.5 18.7 50 58 A C G > S+ 0 0 11 -32,-0.3 3,-2.4 -47,-0.2 -47,-0.1 -0.336 76.4 16.5 -76.2 159.6 22.6 -9.0 17.2 51 59 A N G 3 S- 0 0 44 -49,-0.4 31,-0.4 1,-0.3 -1,-0.2 0.818 142.0 -44.2 47.1 42.7 25.6 -10.2 19.3 52 60 A G G < S- 0 0 62 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.224 106.1 -72.7 92.4 -15.7 23.6 -10.2 22.5 53 61 A G < + 0 0 5 -3,-2.4 2,-0.3 1,-0.1 256,-0.3 0.482 64.3 164.2 96.6 123.2 21.9 -6.9 22.0 54 62 A H E -B 48 0A 0 -6,-2.2 -6,-2.7 254,-0.1 256,-0.2 -0.986 35.1-102.0-167.1 155.9 23.4 -3.4 22.2 55 63 A W E -Bc 47 310A 0 254,-2.7 256,-2.8 -2,-0.3 2,-0.3 -0.346 28.0-160.0 -76.7 163.7 22.9 0.2 21.4 56 64 A I E -Bc 46 311A 0 -10,-2.0 -10,-2.2 254,-0.2 2,-0.5 -0.921 10.3-147.9-148.4 117.5 24.7 1.9 18.5 57 65 A A E -B 45 0A 0 254,-2.3 -12,-0.2 -2,-0.3 259,-0.1 -0.773 15.5-172.7 -84.3 128.7 25.2 5.6 18.1 58 66 A T + 0 0 0 -14,-3.3 2,-0.3 -2,-0.5 -13,-0.1 0.517 55.6 66.6-103.6 -5.5 25.2 6.3 14.4 59 67 A R S > S- 0 0 6 -15,-0.6 4,-2.4 1,-0.1 3,-0.4 -0.905 77.3-125.3-120.7 148.4 26.2 10.0 14.2 60 68 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 257,-0.3 5,-0.3 0.828 108.0 60.4 -55.6 -36.9 29.4 11.8 15.0 61 69 A Q H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 111.6 38.2 -58.8 -47.5 27.7 14.2 17.3 62 70 A L H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.895 114.6 54.0 -70.9 -42.3 26.5 11.4 19.6 63 71 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.919 113.1 43.5 -59.0 -44.3 29.7 9.3 19.3 64 72 A R H X S+ 0 0 58 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.939 113.2 51.5 -66.9 -46.7 31.8 12.3 20.3 65 73 A E H X S+ 0 0 75 -4,-2.1 4,-1.5 -5,-0.3 3,-0.4 0.905 111.5 47.4 -56.7 -44.1 29.4 13.3 23.2 66 74 A A H < S+ 0 0 0 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.892 108.5 53.1 -67.0 -41.7 29.5 9.7 24.6 67 75 A Y H < S+ 0 0 9 -4,-1.9 279,-0.4 -5,-0.2 -1,-0.2 0.696 110.2 50.5 -67.5 -18.0 33.2 9.3 24.5 68 76 A E H < S+ 0 0 116 -4,-1.1 2,-1.4 -3,-0.4 -1,-0.2 0.799 99.7 66.6 -87.3 -32.4 33.5 12.6 26.4 69 77 A D >X + 0 0 38 -4,-1.5 4,-2.5 1,-0.2 3,-0.7 -0.598 54.2 158.4 -93.1 77.4 31.1 11.6 29.1 70 78 A Y T 34 + 0 0 66 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.672 65.3 72.9 -73.3 -16.4 33.0 8.7 30.8 71 79 A R T 34 S+ 0 0 173 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.869 115.6 21.9 -65.9 -33.6 30.9 9.2 34.0 72 80 A H T <4 S+ 0 0 50 -3,-0.7 222,-2.0 1,-0.2 2,-0.8 0.777 127.1 51.1 -99.3 -35.9 28.0 7.6 32.2 73 81 A F E < S-D 293 0A 1 -4,-2.5 -1,-0.2 -7,-0.3 220,-0.2 -0.787 78.4-168.3-109.4 88.6 29.8 5.7 29.5 74 82 A S E > -D 292 0A 1 218,-2.3 218,-2.4 -2,-0.8 3,-0.5 -0.472 25.1-145.8 -79.3 143.7 32.5 3.6 31.2 75 83 A S T 3 S+ 0 0 0 216,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.253 75.9 104.6 -90.1 13.4 35.2 1.8 29.3 76 84 A E T 3 S+ 0 0 138 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.905 94.3 24.8 -60.7 -38.5 35.1 -1.0 31.8 77 85 A C S < S+ 0 0 7 -3,-0.5 -1,-0.3 1,-0.1 8,-0.2 -0.726 77.8 155.9-128.0 78.1 33.3 -3.2 29.3 78 86 A P + 0 0 2 0, 0.0 212,-2.5 0, 0.0 2,-0.3 0.512 47.3 77.0 -82.1 -11.6 34.3 -1.8 25.9 79 87 A F S S- 0 0 14 210,-0.2 6,-0.5 3,-0.1 7,-0.1 -0.831 75.9-111.1-110.6 146.6 33.8 -4.8 23.7 80 88 A I S S+ 0 0 4 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.903 91.7 54.1-106.9 137.9 30.7 -6.5 22.2 81 89 A P S >> S- 0 0 49 0, 0.0 4,-2.5 0, 0.0 3,-0.8 0.557 88.5-125.6 -73.9 168.8 29.6 -9.1 22.9 82 90 A R H 3> S+ 0 0 85 -31,-0.4 4,-3.1 1,-0.2 5,-0.2 0.827 107.2 58.1 -50.5 -40.8 29.2 -8.7 26.7 83 91 A E H 3> S+ 0 0 147 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.896 110.7 42.8 -60.6 -39.5 31.3 -11.8 27.6 84 92 A A H <> S+ 0 0 9 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.917 113.7 52.5 -70.1 -44.0 34.3 -10.4 25.6 85 93 A G H < S+ 0 0 0 -4,-2.5 -2,-0.2 -6,-0.5 -1,-0.2 0.889 110.5 47.8 -58.6 -39.7 33.6 -7.0 27.1 86 94 A E H < S+ 0 0 138 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.9 47.2 -73.0 -30.3 33.6 -8.5 30.6 87 95 A A H < S+ 0 0 23 -4,-1.6 2,-1.0 -5,-0.2 -1,-0.2 0.698 88.6 103.3 -82.2 -17.2 36.8 -10.5 30.0 88 96 A Y < + 0 0 10 -4,-1.6 -9,-0.1 1,-0.2 -1,-0.1 -0.498 33.0 149.6 -69.7 99.5 38.5 -7.3 28.6 89 97 A D + 0 0 43 -2,-1.0 -1,-0.2 -12,-0.1 -12,-0.0 0.089 16.6 147.8-121.2 26.6 40.8 -6.0 31.3 90 98 A F > - 0 0 2 145,-0.1 4,-2.2 1,-0.1 143,-0.2 -0.223 49.3 -94.8 -58.3 149.6 43.5 -4.4 29.2 91 99 A I T 4 S+ 0 0 1 141,-1.6 145,-0.2 1,-0.2 -1,-0.1 -0.952 95.2 1.4-116.4 137.8 45.2 -1.3 30.7 92 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.985 123.0 63.8 -93.9 4.8 44.6 1.5 30.3 93 101 A T T 34 S+ 0 0 25 1,-0.3 -2,-0.2 140,-0.1 7,-0.1 0.821 100.9 52.3 -57.3 -36.7 41.7 1.0 28.0 94 102 A S T 3< S+ 0 0 14 -4,-2.2 2,-0.3 -18,-0.1 -1,-0.3 0.423 100.4 83.3 -81.0 3.7 39.4 -0.8 30.5 95 103 A M < - 0 0 35 -3,-1.8 -5,-0.0 -5,-0.1 -6,-0.0 -0.817 65.9-147.2-110.3 149.3 39.9 2.1 33.0 96 104 A D > - 0 0 32 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.693 43.3 -57.6-106.1 160.8 38.1 5.4 33.3 97 105 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.454 117.3 31.7 -67.4 153.1 39.7 8.6 34.6 98 106 A P T >4 S+ 0 0 96 0, 0.0 3,-0.7 0, 0.0 4,-0.5 -0.981 127.5 42.8 -80.4 -20.2 41.1 9.3 37.2 99 107 A E T 3> S+ 0 0 109 -3,-0.4 4,-0.6 1,-0.2 3,-0.4 0.825 109.9 58.4 -53.7 -39.5 42.3 5.7 37.5 100 108 A Q H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 3,-0.4 0.837 88.4 76.3 -61.2 -37.5 43.4 5.4 33.8 101 109 A R H <> S+ 0 0 125 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.820 89.9 49.3 -48.5 -49.5 45.8 8.4 33.8 102 110 A Q H > S+ 0 0 88 -4,-0.5 4,-1.1 -3,-0.4 -1,-0.2 0.919 117.9 41.9 -61.4 -41.1 48.8 6.9 35.6 103 111 A F H X S+ 0 0 5 -4,-0.6 4,-2.2 -3,-0.4 -2,-0.2 0.860 111.0 56.2 -73.2 -34.7 48.8 3.9 33.3 104 112 A R H X S+ 0 0 52 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.853 102.4 56.8 -65.0 -34.0 48.0 5.9 30.2 105 113 A A H X S+ 0 0 60 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.905 109.0 46.0 -63.9 -40.2 51.1 8.0 30.9 106 114 A L H X S+ 0 0 10 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.904 111.7 50.7 -69.3 -41.8 53.3 4.9 30.9 107 115 A A H >X S+ 0 0 5 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.919 110.3 50.3 -62.6 -41.8 51.6 3.5 27.7 108 116 A N H 3X S+ 0 0 71 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.831 102.6 62.0 -65.7 -31.6 52.2 6.9 26.0 109 117 A Q H 3< S+ 0 0 110 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 107.3 43.4 -63.7 -33.7 55.8 6.8 27.0 110 118 A V H << S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.595 127.0 26.0 -91.3 -10.0 56.4 3.6 25.0 111 119 A V H < S+ 0 0 13 -4,-0.9 243,-0.4 -3,-0.4 -2,-0.2 0.404 95.3 112.0-129.1 -1.0 54.6 4.4 21.8 112 120 A G S >X S- 0 0 1 -4,-1.9 4,-1.6 -5,-0.2 3,-1.2 0.060 84.9 -82.5 -69.1-179.8 54.6 8.3 21.7 113 121 A M H 3> S+ 0 0 63 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.840 124.1 61.9 -54.3 -40.2 56.4 10.7 19.3 114 122 A P H 3> S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.886 107.2 46.8 -58.1 -30.5 59.7 10.5 21.1 115 123 A V H <> S+ 0 0 20 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.878 109.1 53.8 -74.2 -38.5 59.8 6.8 20.3 116 124 A V H < S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 7,-0.2 0.915 108.0 50.5 -61.7 -42.7 58.9 7.5 16.7 117 125 A D H >< S+ 0 0 83 -4,-2.9 3,-1.3 1,-0.2 4,-0.3 0.927 108.9 51.2 -61.2 -44.1 61.8 9.9 16.4 118 126 A K H 3< S+ 0 0 141 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.851 115.9 42.7 -60.9 -33.7 64.1 7.2 17.8 119 127 A L T 3X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.336 80.4 111.2 -95.4 7.0 62.8 4.8 15.2 120 128 A E H <> S+ 0 0 97 -3,-1.3 4,-2.4 -4,-0.4 -1,-0.2 0.891 83.0 40.7 -47.4 -52.1 62.8 7.2 12.3 121 129 A N H > S+ 0 0 107 -4,-0.3 4,-3.0 -3,-0.3 -1,-0.2 0.862 114.3 51.8 -67.4 -39.0 65.6 5.5 10.4 122 130 A R H > S+ 0 0 136 -4,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 112.5 46.4 -63.6 -45.1 64.4 2.0 11.2 123 131 A I H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.946 115.5 45.6 -61.0 -49.5 61.0 2.8 9.9 124 132 A Q H X S+ 0 0 69 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.931 114.7 48.1 -60.0 -48.7 62.4 4.5 6.8 125 133 A E H X S+ 0 0 95 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.901 110.2 50.7 -60.6 -45.9 64.8 1.6 6.1 126 134 A L H X S+ 0 0 29 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.921 110.7 48.6 -61.9 -44.3 62.3 -1.1 6.5 127 135 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.973 115.5 42.8 -59.9 -55.1 59.8 0.4 4.2 128 136 A C H X S+ 0 0 22 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.875 115.1 51.2 -58.3 -40.2 62.4 1.1 1.4 129 137 A S H X S+ 0 0 77 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.918 112.4 44.6 -64.2 -45.7 63.9 -2.4 1.9 130 138 A L H X S+ 0 0 16 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.924 116.4 46.2 -65.2 -46.7 60.6 -4.2 1.7 131 139 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.3 3,-0.2 0.920 110.5 51.6 -64.5 -45.5 59.4 -2.3 -1.3 132 140 A E H < S+ 0 0 66 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.859 109.6 52.2 -60.7 -34.0 62.7 -2.6 -3.2 133 141 A S H < S+ 0 0 81 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.844 115.5 39.6 -71.1 -33.4 62.6 -6.3 -2.6 134 142 A L H >X S+ 0 0 24 -4,-1.6 3,-1.8 -3,-0.2 4,-0.6 0.824 97.2 83.5 -83.3 -33.6 59.0 -6.5 -4.1 135 143 A R G >< S+ 0 0 47 -4,-3.1 3,-1.0 1,-0.3 -2,-0.1 0.809 88.7 46.6 -37.1 -58.4 59.6 -4.1 -6.9 136 144 A P G 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.702 99.7 72.8 -65.5 -17.2 61.2 -6.4 -9.5 137 145 A Q G <4 S- 0 0 124 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.757 86.2-145.4 -69.9 -28.3 58.5 -9.0 -8.9 138 146 A G S << S+ 0 0 9 -3,-1.0 260,-2.2 -4,-0.6 2,-0.3 0.577 73.0 47.4 73.2 8.2 55.7 -7.2 -10.7 139 147 A Q E +F 397 0B 129 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.974 56.8 171.5-169.8 160.3 53.2 -8.5 -8.2 140 148 A C E -F 396 0B 8 256,-1.8 256,-2.8 -2,-0.3 2,-1.0 -0.968 41.1-116.2-170.8 159.1 52.5 -9.1 -4.5 141 149 A N E >> -F 395 0B 82 -2,-0.3 4,-3.0 254,-0.2 3,-0.6 -0.867 39.2-160.9-101.4 90.0 49.9 -10.2 -2.0 142 150 A F H 3>>S+ 0 0 0 252,-2.0 5,-2.4 -2,-1.0 4,-1.9 0.807 78.9 56.2 -46.2 -45.4 49.8 -6.8 -0.3 143 151 A T H 34>S+ 0 0 12 1,-0.2 5,-1.6 3,-0.2 -1,-0.2 0.935 122.4 26.2 -58.6 -45.5 48.3 -7.8 3.0 144 152 A E H <45S+ 0 0 114 -3,-0.6 -2,-0.2 3,-0.2 -1,-0.2 0.750 122.4 51.8 -91.6 -21.1 50.9 -10.4 3.7 145 153 A D H <5S- 0 0 49 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.684 135.2 -12.2 -88.7 -19.3 53.9 -9.0 1.7 146 154 A Y T X5S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -3,-0.2 0.512 122.5 64.3-144.3 -50.8 53.8 -5.5 3.1 147 155 A A T 4 S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.850 108.0 58.0 -57.9 -38.6 55.5 -7.1 7.9 150 158 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 5,-0.2 0.989 118.4 26.1 -58.9 -65.4 56.1 -3.4 7.7 151 159 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.892 123.2 53.4 -67.9 -35.6 54.2 -2.2 10.8 152 160 A I H X S+ 0 0 2 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.935 108.5 47.6 -65.7 -44.9 54.5 -5.6 12.6 153 161 A R H X S+ 0 0 80 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.900 112.5 51.3 -62.3 -37.7 58.3 -5.8 12.3 154 162 A I H X S+ 0 0 2 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.935 111.5 47.4 -63.6 -44.6 58.6 -2.2 13.5 155 163 A F H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.901 109.2 51.9 -63.9 -42.4 56.4 -3.0 16.5 156 164 A M H X>S+ 0 0 2 -4,-2.7 5,-2.6 2,-0.2 4,-0.9 0.836 110.8 50.0 -63.1 -30.4 58.4 -6.1 17.4 157 165 A L H ><5S+ 0 0 89 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.944 111.6 48.0 -69.9 -47.7 61.5 -4.0 17.3 158 166 A L H 3<5S+ 0 0 10 -4,-2.5 53,-2.6 1,-0.2 -2,-0.2 0.857 117.0 42.4 -60.0 -39.2 59.8 -1.4 19.5 159 167 A A H 3<5S- 0 0 2 -4,-2.7 53,-0.6 51,-0.2 -1,-0.2 0.575 108.5-122.2 -86.1 -11.7 58.7 -4.1 22.0 160 168 A G T <<5 + 0 0 34 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.848 62.1 145.1 73.1 32.9 61.9 -6.1 21.9 161 169 A L < - 0 0 12 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.1 -0.840 54.7-104.7-108.8 145.2 60.2 -9.2 20.7 162 170 A P > - 0 0 59 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.415 19.0-135.8 -66.2 132.5 61.6 -11.9 18.3 163 171 A E G > S+ 0 0 102 1,-0.3 3,-2.0 2,-0.2 -6,-0.0 0.740 99.1 78.4 -60.3 -22.0 60.2 -11.8 14.8 164 172 A E G 3 S+ 0 0 157 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.759 89.9 55.0 -58.8 -24.9 60.0 -15.6 15.1 165 173 A D G <> S+ 0 0 40 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.412 77.1 100.4 -90.4 2.0 56.8 -15.2 17.2 166 174 A I H <> S+ 0 0 32 -3,-2.0 4,-3.3 1,-0.2 5,-0.4 0.928 78.1 51.7 -54.8 -53.0 54.9 -13.0 14.7 167 175 A P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.911 113.7 45.7 -49.7 -47.9 52.6 -15.8 13.3 168 176 A H H > S+ 0 0 94 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.946 117.6 41.6 -60.8 -52.9 51.5 -16.8 16.8 169 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.898 113.0 51.8 -65.9 -43.5 50.9 -13.3 18.1 170 178 A K H X S+ 0 0 14 -4,-3.3 4,-2.1 -5,-0.2 -1,-0.2 0.882 109.5 52.2 -62.6 -36.9 49.2 -12.0 15.0 171 179 A Y H X S+ 0 0 96 -4,-1.8 4,-1.5 -5,-0.4 -1,-0.2 0.948 111.5 44.9 -64.2 -48.2 46.8 -14.9 15.1 172 180 A L H X S+ 0 0 8 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.899 110.9 54.0 -62.6 -42.6 45.8 -14.3 18.7 173 181 A T H >X S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 4,-0.7 0.927 107.1 51.2 -58.3 -46.2 45.4 -10.6 18.2 174 182 A D H >X S+ 0 0 31 -4,-2.1 4,-3.6 1,-0.3 3,-0.8 0.835 100.6 62.3 -62.1 -33.2 43.0 -11.2 15.2 175 183 A Q H 3< S+ 0 0 7 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.744 103.7 50.9 -65.3 -21.0 40.9 -13.5 17.3 176 184 A M H << S+ 0 0 4 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.654 122.8 28.0 -89.1 -17.1 40.2 -10.6 19.6 177 185 A T H << S+ 0 0 2 -3,-0.8 210,-2.2 -4,-0.7 211,-0.5 0.744 139.0 16.6-111.4 -36.0 39.2 -8.2 16.9 178 186 A R S < S- 0 0 43 -4,-3.6 -2,-0.2 208,-0.2 -1,-0.1 -0.540 82.6-156.7-138.1 67.2 37.8 -10.4 14.1 179 187 A P - 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.154 11.4-160.6 -48.3 129.8 37.1 -13.8 15.8 180 188 A D - 0 0 94 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.466 49.7-105.3 -91.7 -2.8 37.0 -16.7 13.3 181 189 A G S S+ 0 0 67 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.277 97.5 106.8 99.4 -10.7 35.1 -18.8 15.9 182 190 A S S S+ 0 0 66 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.786 89.4 11.7 -71.1 -27.8 38.0 -21.0 16.9 183 191 A M S S- 0 0 48 -8,-0.1 -2,-0.4 4,-0.0 -1,-0.2 -0.996 75.5-111.7-151.1 154.9 38.4 -19.2 20.2 184 192 A T > - 0 0 55 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.359 38.3-108.3 -78.1 163.8 36.6 -16.7 22.5 185 193 A F H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 121.6 53.1 -57.7 -42.5 38.0 -13.3 23.1 186 194 A A H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.912 106.6 50.0 -60.2 -45.9 38.9 -14.4 26.6 187 195 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 113.2 46.9 -61.3 -40.8 40.8 -17.5 25.5 188 196 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 112.7 49.7 -66.2 -42.8 42.8 -15.4 23.0 189 197 A K H X S+ 0 0 11 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.933 111.3 48.1 -60.9 -48.0 43.5 -12.8 25.7 190 198 A E H X S+ 0 0 104 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.865 109.5 53.8 -62.3 -35.9 44.7 -15.3 28.2 191 199 A A H X S+ 0 0 33 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.886 111.7 44.6 -66.0 -38.9 46.9 -16.9 25.6 192 200 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.897 112.7 51.3 -70.9 -42.2 48.6 -13.6 24.9 193 201 A Y H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.921 108.6 51.9 -59.7 -43.5 48.9 -12.8 28.6 194 202 A D H < S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.2 51.9 -62.8 -33.5 50.5 -16.2 29.1 195 203 A Y H X S+ 0 0 31 -4,-1.3 4,-0.5 -5,-0.2 -1,-0.2 0.902 115.2 42.0 -67.9 -41.4 53.0 -15.4 26.3 196 204 A L H >X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-0.6 0.852 96.2 74.1 -76.2 -38.9 53.9 -12.1 27.9 197 205 A I H 3X S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.865 97.3 46.7 -46.9 -50.3 54.2 -13.0 31.6 198 206 A P H 3> S+ 0 0 67 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.873 114.6 48.8 -63.6 -33.4 57.5 -14.8 31.5 199 207 A I H S- 0 0 25 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.418 88.4-107.8 -80.7 160.4 62.2 -1.8 24.8 211 219 A A H > S+ 0 0 5 -53,-2.6 4,-2.3 1,-0.2 5,-0.2 0.851 116.6 52.2 -56.2 -40.3 58.5 -1.2 25.5 212 220 A I H > S+ 0 0 2 -53,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.937 110.7 46.4 -66.3 -43.5 58.0 -4.3 27.6 213 221 A S H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.927 112.8 50.4 -63.3 -43.7 60.9 -3.5 29.9 214 222 A I H < S+ 0 0 41 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.904 114.6 43.5 -61.6 -42.7 59.8 0.1 30.3 215 223 A V H >< S+ 0 0 0 -4,-2.3 3,-1.7 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