==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUN-13 4L4B . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.BATABYAL,H.LI,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 67.2 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 . 31 7.7 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 0 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 3 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 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 0 193 0, 0.0 49,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 72.5 -5.0 0.7 -19.3 2 11 A L - 0 0 89 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.735 360.0-128.9-101.3 137.5 -2.5 2.5 -17.0 3 12 A A - 0 0 29 45,-2.8 -1,-0.0 -2,-0.4 49,-0.0 -0.573 45.8 -86.3 -77.4 144.8 -2.0 2.1 -13.2 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.213 50.7-102.3 -53.0 135.5 -2.1 5.3 -11.2 5 14 A L - 0 0 54 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.464 37.8-121.5 -66.3 116.1 1.4 7.0 -11.0 6 15 A P > - 0 0 31 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.273 22.4-115.3 -58.2 144.0 2.9 6.2 -7.6 7 16 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.682 110.5 58.8 -57.3 -22.5 3.8 9.3 -5.6 8 17 A H T 3 S+ 0 0 43 2,-0.1 294,-0.2 1,-0.1 -3,-0.0 0.517 85.6 92.1 -87.8 -1.5 7.5 8.7 -5.7 9 18 A V S < S- 0 0 6 -3,-1.9 5,-0.1 292,-0.1 -1,-0.1 -0.812 72.5-137.3-100.4 111.1 7.8 8.7 -9.5 10 19 A P > - 0 0 52 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.353 18.4-128.2 -60.7 142.5 8.6 12.1 -11.2 11 20 A E G > S+ 0 0 165 1,-0.3 3,-1.6 2,-0.2 35,-0.1 0.745 103.7 68.1 -70.2 -22.3 6.5 12.5 -14.3 12 21 A H G 3 S+ 0 0 142 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.639 97.9 55.6 -70.0 -11.4 9.4 13.3 -16.6 13 22 A L G < S+ 0 0 14 -3,-1.4 33,-2.7 28,-0.1 2,-0.3 0.432 83.3 111.3 -96.2 -0.6 10.4 9.6 -16.0 14 23 A V B < +a 46 0A 33 -3,-1.6 2,-0.3 31,-0.2 33,-0.2 -0.593 31.1 159.9 -81.0 131.2 7.1 8.2 -17.2 15 24 A F - 0 0 53 31,-2.9 2,-2.3 -2,-0.3 30,-0.1 -0.828 33.5-141.9-149.5 108.8 7.1 6.3 -20.5 16 25 A D + 0 0 59 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.371 34.8 163.8 -83.4 68.0 4.1 4.0 -21.0 17 26 A F - 0 0 10 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.665 27.9-149.8 -82.3 132.9 5.8 1.1 -22.8 18 27 A D > - 0 0 46 -2,-0.4 3,-1.8 3,-0.1 -2,-0.1 -0.883 4.6-164.7-106.8 102.5 3.8 -2.2 -22.8 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.663 90.1 51.1 -60.8 -16.5 6.2 -5.1 -22.9 20 29 A Y T 3 S+ 0 0 40 1,-0.2 364,-0.4 -3,-0.0 -1,-0.3 0.489 130.4 12.0-100.4 -5.0 3.4 -7.5 -23.9 21 30 A N S < S- 0 0 98 -3,-1.8 -1,-0.2 362,-0.1 -2,-0.2 -0.276 78.9-166.0-166.6 65.8 2.2 -5.3 -26.9 22 31 A P > - 0 0 2 0, 0.0 3,-1.5 0, 0.0 11,-0.1 -0.314 29.0-119.1 -67.0 146.8 4.6 -2.5 -27.8 23 32 A S T 3 S+ 0 0 127 1,-0.3 3,-0.3 9,-0.1 9,-0.1 0.738 108.9 50.1 -51.9 -30.8 3.3 0.2 -30.1 24 33 A N T > + 0 0 78 8,-0.2 3,-1.7 1,-0.2 -1,-0.3 0.085 68.0 125.0-104.5 26.5 5.8 -0.4 -32.8 25 34 A L G X + 0 0 30 -3,-1.5 3,-1.9 1,-0.3 357,-0.4 0.765 63.8 66.8 -62.5 -31.4 5.4 -4.2 -33.2 26 35 A S G 3 S+ 0 0 126 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.812 96.9 55.8 -58.1 -31.7 4.7 -4.1 -36.9 27 36 A A G < S- 0 0 57 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.492 131.7 -76.0 -80.2 -2.2 8.3 -2.9 -37.5 28 37 A G <> - 0 0 6 -3,-1.9 4,-2.3 -4,-0.2 -1,-0.3 -0.086 40.9 -97.5 112.2 143.5 9.7 -5.9 -35.7 29 38 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 122.7 48.8 -62.8 -44.6 9.8 -6.7 -32.0 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 113.1 49.2 -63.3 -37.8 13.5 -5.6 -31.5 31 40 A E H > S+ 0 0 54 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.894 108.5 54.2 -62.9 -38.4 12.6 -2.4 -33.4 32 41 A A H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 -8,-0.2 0.879 112.0 43.3 -66.6 -37.8 9.6 -1.9 -31.1 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.787 101.2 70.1 -75.3 -28.3 11.7 -2.2 -28.0 34 43 A A H >< S+ 0 0 21 -4,-1.6 3,-2.0 1,-0.3 -1,-0.2 0.625 77.3 79.2 -70.6 -11.1 14.4 0.0 -29.4 35 44 A V G X< S+ 0 0 31 -3,-0.6 3,-1.3 -4,-0.5 -1,-0.3 0.739 82.2 68.9 -63.0 -20.1 12.1 3.0 -29.2 36 45 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.600 96.3 53.8 -72.3 -11.6 13.2 2.9 -25.5 37 46 A Q G < S+ 0 0 14 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.2 0.065 80.9 115.9-113.3 22.6 16.6 4.0 -26.7 38 47 A E S X S- 0 0 103 -3,-1.3 3,-2.1 1,-0.1 -3,-0.0 -0.549 81.6-104.4 -83.2 162.6 15.6 7.1 -28.6 39 48 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.689 116.6 64.2 -64.6 -19.9 16.8 10.5 -27.4 40 49 A N T 3 S+ 0 0 113 2,-0.1 -1,-0.3 1,-0.0 -4,-0.0 0.563 91.2 80.6 -78.6 -7.9 13.4 11.4 -25.9 41 50 A V S < S- 0 0 10 -3,-2.1 -28,-0.1 -6,-0.1 4,-0.1 -0.881 77.0-130.6-109.1 125.6 13.7 8.6 -23.4 42 51 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.143 30.3-105.9 -61.3 164.0 15.7 8.7 -20.1 43 52 A D S S+ 0 0 58 1,-0.2 14,-3.0 13,-0.1 15,-0.5 0.859 110.7 28.7 -59.3 -38.5 18.1 5.9 -19.1 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.984 80.7 172.6-132.8 118.2 15.7 4.6 -16.5 45 54 A V E - B 0 55A 0 10,-2.3 10,-2.2 -2,-0.4 2,-0.5 -0.788 27.7-128.7-125.9 166.2 11.9 5.1 -16.9 46 55 A W E -aB 14 54A 9 -33,-2.7 -31,-2.9 -2,-0.3 2,-0.4 -0.973 17.4-161.8-115.7 126.7 8.6 4.1 -15.3 47 56 A T E - B 0 53A 0 6,-2.7 6,-2.2 -2,-0.5 -31,-0.2 -0.893 13.4-153.4-102.7 140.0 5.8 2.6 -17.4 48 57 A R > + 0 0 79 -2,-0.4 -45,-2.8 4,-0.2 3,-0.6 0.437 65.6 108.2 -87.0 -0.2 2.3 2.6 -16.0 49 58 A C G > S+ 0 0 14 -32,-0.3 3,-2.3 1,-0.2 -2,-0.1 -0.349 77.3 14.2 -72.5 156.6 1.4 -0.4 -18.1 50 59 A N G 3 S- 0 0 48 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.793 142.1 -42.1 51.3 39.1 1.0 -3.9 -16.6 51 60 A G G < S- 0 0 64 -3,-0.6 -1,-0.3 29,-0.1 -2,-0.1 0.167 105.3 -75.2 98.1 -17.9 0.7 -2.7 -13.0 52 61 A G < + 0 0 5 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.422 64.9 159.5 97.0 125.3 3.4 -0.1 -13.2 53 62 A H E -B 47 0A 1 -6,-2.2 -6,-2.7 254,-0.1 256,-0.2 -0.981 36.5 -97.3-168.3 161.4 7.2 -0.8 -13.2 54 63 A W E -Bc 46 309A 0 254,-2.6 256,-2.9 -2,-0.3 2,-0.3 -0.438 26.3-162.3 -80.1 160.9 10.7 0.5 -14.0 55 64 A I E -Bc 45 310A 0 -10,-2.2 -10,-2.3 254,-0.2 2,-0.5 -0.918 9.6-150.2-142.4 118.1 12.6 -0.3 -17.2 56 65 A A E -B 44 0A 0 254,-1.8 -12,-0.2 -2,-0.3 259,-0.1 -0.781 13.1-172.1 -81.8 131.1 16.3 0.3 -17.5 57 66 A T + 0 0 0 -14,-3.0 2,-0.4 -2,-0.5 -13,-0.1 0.447 55.5 74.9-109.7 -2.7 16.9 1.0 -21.2 58 67 A R S > S- 0 0 9 -15,-0.5 4,-2.4 1,-0.1 3,-0.4 -0.914 75.4-129.9-119.3 139.8 20.7 1.0 -21.4 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.6 257,-0.3 5,-0.3 0.840 107.7 56.6 -51.6 -38.7 23.2 -1.9 -21.3 60 69 A Q H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 110.9 42.1 -63.4 -45.2 25.3 -0.3 -18.5 61 70 A L H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.904 113.9 52.8 -65.8 -43.7 22.3 -0.0 -16.2 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 112.3 44.1 -59.3 -47.3 21.0 -3.5 -17.0 63 72 A R H X S+ 0 0 49 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.926 112.9 51.6 -62.9 -46.8 24.4 -5.2 -16.3 64 73 A E H X S+ 0 0 73 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.921 112.2 46.3 -57.8 -46.4 24.9 -3.2 -13.1 65 74 A A H < S+ 0 0 0 -4,-2.5 7,-0.2 1,-0.2 -1,-0.2 0.886 110.6 51.4 -65.5 -41.2 21.4 -4.2 -11.8 66 75 A Y H < S+ 0 0 5 -4,-2.2 279,-0.5 1,-0.2 280,-0.2 0.794 111.2 50.4 -68.1 -24.8 21.8 -7.9 -12.7 67 76 A E H < S+ 0 0 113 -4,-1.7 2,-1.3 1,-0.2 -1,-0.2 0.809 100.8 65.1 -79.2 -31.5 25.1 -7.9 -10.8 68 77 A D >X + 0 0 44 -4,-1.5 4,-2.0 1,-0.2 3,-1.0 -0.598 55.4 162.4 -99.4 76.1 23.8 -6.3 -7.7 69 78 A Y T 34 + 0 0 77 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.656 65.0 75.3 -69.0 -17.7 21.4 -8.9 -6.4 70 79 A R T 34 S+ 0 0 177 1,-0.2 -1,-0.2 -3,-0.2 3,-0.2 0.877 112.9 22.0 -61.4 -38.3 21.3 -7.3 -3.0 71 80 A H T <4 S+ 0 0 47 -3,-1.0 222,-2.0 1,-0.2 2,-0.7 0.762 127.7 50.8 -97.6 -31.7 19.1 -4.5 -4.2 72 81 A F E < S-D 292 0A 0 -4,-2.0 -1,-0.2 -7,-0.2 220,-0.2 -0.840 79.7-167.3-114.1 94.0 17.6 -6.2 -7.2 73 82 A S E > -D 291 0A 6 218,-3.0 218,-1.9 -2,-0.7 3,-0.6 -0.525 26.1-144.1 -89.2 148.7 16.3 -9.6 -6.1 74 83 A S T 3 S+ 0 0 1 1,-0.2 -1,-0.1 -2,-0.2 215,-0.1 0.385 77.6 101.4 -85.4 1.7 15.1 -12.5 -8.3 75 84 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.831 97.9 21.8 -59.1 -33.3 12.4 -13.4 -5.9 76 85 A C S < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.747 78.1 156.0-133.9 79.8 9.8 -11.7 -8.1 77 86 A P + 0 0 3 0, 0.0 212,-2.2 0, 0.0 2,-0.3 0.450 47.1 75.8 -94.6 -2.7 11.5 -11.6 -11.6 78 87 A F S S- 0 0 14 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.814 75.5-107.4-111.5 151.0 8.4 -11.4 -13.9 79 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.957 91.7 51.2-110.4 137.6 6.0 -8.7 -14.8 80 89 A P S >> S- 0 0 38 0, 0.0 4,-2.1 0, 0.0 3,-1.2 0.547 88.2-123.0 -83.0 175.0 3.2 -8.4 -14.0 81 90 A R H 3> S+ 0 0 81 -31,-0.3 4,-2.7 1,-0.3 5,-0.2 0.771 109.5 58.1 -55.5 -35.3 3.4 -8.7 -10.2 82 91 A E H 3> S+ 0 0 139 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.865 110.4 44.5 -63.6 -35.8 1.0 -11.6 -10.1 83 92 A A H <> S+ 0 0 7 -3,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.920 112.8 50.5 -73.3 -45.7 3.2 -13.6 -12.4 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.6 -1,-0.2 0.895 112.1 47.5 -58.1 -43.0 6.4 -12.6 -10.5 85 94 A E H < S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.4 46.8 -68.6 -39.1 4.9 -13.6 -7.2 86 95 A A H < S+ 0 0 21 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.2 0.800 89.3 102.2 -70.3 -29.0 3.7 -17.0 -8.6 87 96 A Y < + 0 0 13 -4,-2.0 -9,-0.1 1,-0.2 98,-0.0 -0.420 35.3 153.6 -63.7 111.8 7.1 -17.6 -10.2 88 97 A D + 0 0 38 -2,-0.5 -1,-0.2 -12,-0.1 5,-0.1 0.140 16.6 146.0-128.6 19.3 8.9 -20.1 -8.0 89 98 A F > - 0 0 3 3,-0.1 4,-2.4 1,-0.1 143,-0.2 -0.202 49.4 -95.1 -60.4 149.8 11.3 -21.8 -10.4 90 99 A I T 4 S+ 0 0 0 141,-1.0 145,-0.2 1,-0.3 -1,-0.1 -0.959 97.6 3.3-115.6 131.2 14.7 -22.9 -9.2 91 100 A P T >4 S+ 0 0 11 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.984 124.2 61.6 -95.5 4.0 17.2 -21.5 -9.5 92 101 A T T 34 S+ 0 0 28 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.669 99.5 55.4 -70.4 -19.3 15.8 -18.3 -11.0 93 102 A S T 3< S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.1 -1,-0.3 0.275 101.0 78.4 -92.5 12.0 13.5 -17.3 -8.2 94 103 A M < - 0 0 10 -3,-1.8 -6,-0.0 -5,-0.1 -5,-0.0 -0.907 67.5-143.1-120.6 148.1 16.5 -17.4 -5.7 95 104 A D > - 0 0 38 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.606 44.9 -54.5 -95.2 162.4 19.3 -15.0 -5.0 96 105 A P T 4 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.485 116.6 27.8 -62.9 149.3 22.9 -15.9 -4.1 97 106 A P T >4 S+ 0 0 116 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.996 124.2 49.7 -87.0 -7.3 24.1 -17.6 -2.1 98 107 A E T 3> S+ 0 0 121 -3,-0.4 4,-0.5 1,-0.3 3,-0.3 0.848 105.9 61.1 -55.4 -35.9 21.0 -19.8 -1.9 99 108 A Q H 3X S+ 0 0 7 -4,-1.7 4,-1.8 1,-0.2 3,-0.5 0.762 87.0 80.4 -61.2 -27.8 21.0 -20.1 -5.7 100 109 A R H <> S+ 0 0 171 -3,-1.4 4,-1.6 1,-0.2 3,-0.5 0.892 87.9 44.2 -55.2 -60.3 24.5 -21.8 -5.8 101 110 A Q H > S+ 0 0 69 -4,-0.4 4,-0.7 -3,-0.3 -1,-0.2 0.778 115.5 50.3 -64.3 -24.4 23.9 -25.5 -5.0 102 111 A F H X S+ 0 0 11 -4,-0.5 4,-2.0 -3,-0.5 -1,-0.3 0.818 104.7 57.8 -78.7 -30.9 20.9 -25.6 -7.3 103 112 A R H X S+ 0 0 72 -4,-1.8 4,-2.3 -3,-0.5 -2,-0.2 0.866 100.2 57.5 -67.3 -35.8 22.8 -24.1 -10.2 104 113 A A H X S+ 0 0 60 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.860 108.9 45.8 -60.5 -37.3 25.5 -26.8 -10.1 105 114 A L H X S+ 0 0 3 -4,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.874 108.9 55.1 -77.1 -39.2 22.8 -29.4 -10.6 106 115 A A H >X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 3,-0.6 0.929 107.9 50.4 -54.7 -45.7 21.2 -27.4 -13.4 107 116 A N H 3X S+ 0 0 66 -4,-2.3 4,-1.5 1,-0.2 7,-0.3 0.818 102.8 60.2 -67.7 -31.2 24.6 -27.4 -15.2 108 117 A Q H 3< S+ 0 0 114 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 115.1 34.8 -57.5 -37.6 25.0 -31.1 -14.8 109 118 A V H << S+ 0 0 3 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.715 134.9 16.4 -99.5 -25.4 21.8 -31.7 -16.8 110 119 A V H < S+ 0 0 13 -4,-2.0 243,-0.5 -5,-0.1 -3,-0.2 0.366 103.8 93.7-127.3 4.4 21.7 -28.9 -19.5 111 120 A G S >X S- 0 0 0 -4,-1.5 4,-1.3 -5,-0.3 3,-1.2 -0.036 95.6 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4,-0.0 -1,-0.2 -0.989 78.3-116.5-154.6 144.3 -5.0 -18.5 -18.2 183 192 A T > - 0 0 78 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.226 39.0-104.3 -70.7 168.3 -3.0 -16.6 -15.5 184 193 A F H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 124.6 56.3 -58.3 -42.2 0.7 -17.4 -15.0 185 194 A A H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 105.3 49.7 -57.1 -45.0 -0.5 -19.3 -11.9 186 195 A E H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.953 112.1 48.5 -57.4 -51.1 -2.8 -21.5 -13.9 187 196 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.909 111.5 48.7 -59.3 -47.9 -0.1 -22.3 -16.4 188 197 A K H X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.917 111.1 49.4 -58.6 -46.1 2.5 -23.2 -13.7 189 198 A E H X S+ 0 0 84 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.817 109.8 52.5 -69.1 -28.3 0.1 -25.5 -11.9 190 199 A A H X S+ 0 0 28 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.937 112.1 45.2 -65.0 -48.8 -0.8 -27.2 -15.1 191 200 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.841 113.3 51.1 -64.1 -35.3 2.9 -27.8 -15.8 192 201 A Y H X S+ 0 0 0 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