==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUN-10 3NGC . COMPND 2 MOLECULE: 6-HYDROXY-L-NICOTINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NICOTINOVORANS; . AUTHOR G.S.KACHALOVA,H.D.BARTUNIK . 425 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 33 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 25.6 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 1 0 1 0 1 2 2 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 2 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 1 X M 0 0 97 0, 0.0 2,-0.3 0, 0.0 247,-0.2 0.000 360.0 360.0 360.0 161.6 -21.2 49.0 60.5 2 2 X Y E -a 248 0A 24 245,-2.1 247,-2.0 1,-0.1 248,-0.2 -0.811 360.0-124.7-124.9 159.0 -22.5 47.0 63.5 3 3 X D E S+ 0 0 54 23,-1.8 247,-1.8 -2,-0.3 2,-0.3 0.874 102.2 7.9 -62.9 -37.7 -21.0 45.1 66.4 4 4 X A E -ab 250 27A 0 22,-1.7 24,-2.2 245,-0.2 2,-0.6 -0.996 58.4-155.2-149.1 131.7 -23.1 42.1 65.0 5 5 X I E -ab 251 28A 0 245,-2.7 247,-3.2 -2,-0.3 2,-0.7 -0.959 15.8-158.9-102.0 126.6 -25.1 41.2 62.1 6 6 X V E -ab 252 29A 0 22,-3.0 24,-2.9 -2,-0.6 2,-0.7 -0.913 5.7-156.6-102.7 121.3 -27.7 38.4 62.8 7 7 X V E +ab 253 30A 5 245,-3.1 247,-3.0 -2,-0.7 24,-0.2 -0.881 62.1 31.1 -99.2 110.1 -28.8 36.6 59.6 8 8 X G - 0 0 7 22,-2.7 23,-0.2 -2,-0.7 22,-0.1 0.179 64.5-136.0 115.3 135.1 -32.3 34.9 60.0 9 9 X G + 0 0 1 26,-0.2 28,-3.1 4,-0.2 29,-0.2 -0.216 61.6 116.7-114.6 40.8 -35.3 36.0 62.2 10 10 X G B > S-i 37 0B 14 244,-0.4 4,-2.6 26,-0.2 5,-0.2 -0.240 90.9 -76.1 -88.3-170.9 -36.4 32.7 63.7 11 11 X F H > S+ 0 0 10 26,-0.6 4,-2.4 1,-0.2 5,-0.2 0.852 133.4 54.0 -58.6 -38.6 -36.2 32.1 67.4 12 12 X S H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 113.2 40.1 -59.0 -51.5 -32.4 31.7 67.3 13 13 X G H > S+ 0 0 0 241,-0.4 4,-3.0 1,-0.2 5,-0.3 0.926 114.7 53.5 -69.3 -41.4 -31.8 35.0 65.5 14 14 X L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.920 110.7 46.1 -56.7 -48.9 -34.3 36.9 67.5 15 15 X K H X S+ 0 0 16 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.955 114.3 47.2 -61.1 -49.8 -32.8 35.8 70.8 16 16 X A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.940 114.4 46.6 -55.3 -51.7 -29.2 36.6 69.7 17 17 X A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.903 114.9 46.3 -59.6 -46.6 -30.2 40.0 68.4 18 18 X R H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.911 114.9 45.8 -61.4 -45.2 -32.2 40.9 71.4 19 19 X D H X S+ 0 0 33 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.939 112.6 50.2 -72.2 -46.9 -29.6 39.8 73.9 20 20 X L H <>S+ 0 0 0 -4,-2.8 5,-2.3 -5,-0.3 3,-0.3 0.912 111.4 48.9 -48.6 -50.0 -26.8 41.4 72.1 21 21 X T H ><5S+ 0 0 25 -4,-2.2 3,-1.9 -5,-0.2 -2,-0.2 0.921 109.1 52.5 -61.2 -41.9 -28.6 44.7 71.9 22 22 X N H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.748 102.4 59.4 -66.6 -24.5 -29.5 44.5 75.6 23 23 X A T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.469 129.0-100.6 -76.9 -4.3 -25.8 44.0 76.3 24 24 X G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.2 0.549 76.6 142.0 98.4 10.3 -25.3 47.4 74.6 25 25 X K < - 0 0 75 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.3 -0.453 56.1-118.8 -80.2 154.5 -24.2 46.1 71.2 26 26 X K - 0 0 108 -2,-0.1 -23,-1.8 2,-0.0 -22,-1.7 -0.874 44.5-177.6 -92.8 113.3 -25.1 47.6 67.9 27 27 X V E -b 4 0A 5 -2,-0.7 2,-0.5 -24,-0.2 192,-0.3 -0.919 24.3-165.6-124.4 134.3 -27.0 45.0 66.1 28 28 X L E -b 5 0A 0 -24,-2.2 -22,-3.0 -2,-0.4 2,-0.6 -0.974 11.1-157.1-109.6 129.0 -28.6 44.5 62.7 29 29 X L E -bc 6 220A 0 190,-2.4 192,-2.8 -2,-0.5 2,-0.6 -0.914 6.2-165.4-103.6 122.2 -31.1 41.6 62.1 30 30 X L E -bc 7 221A 2 -24,-2.9 -22,-2.7 -2,-0.6 2,-0.4 -0.901 6.2-177.1-107.6 123.9 -31.6 40.6 58.4 31 31 X E - 0 0 16 190,-3.1 193,-2.6 -2,-0.6 194,-0.1 -0.959 18.5-154.2-119.7 128.1 -34.6 38.3 57.6 32 32 X G S S+ 0 0 17 -2,-0.4 193,-0.2 191,-0.3 -1,-0.1 0.835 73.4 62.7 -65.7 -34.5 -35.0 37.0 54.0 33 33 X G S S- 0 0 10 2,-0.3 190,-2.7 190,-0.2 191,-0.2 0.022 91.7-104.0 -90.4-170.5 -38.8 36.6 54.3 34 34 X E S S+ 0 0 152 188,-0.2 2,-0.3 189,-0.1 188,-0.1 0.282 99.0 39.1 -98.0 10.1 -41.8 38.7 55.0 35 35 X R S S- 0 0 64 6,-0.0 -2,-0.3 0, 0.0 3,-0.3 -0.978 75.1-120.8-152.4 160.2 -42.2 37.6 58.6 36 36 X L S S+ 0 0 32 -2,-0.3 -26,-0.2 1,-0.1 174,-0.1 -0.699 81.6 64.6 -96.8 157.6 -40.2 36.8 61.7 37 37 X G B > -i 10 0B 2 -28,-3.1 3,-2.5 -2,-0.2 -26,-0.6 -0.050 67.5-160.6 121.1 -29.8 -40.5 33.3 63.4 38 38 X G T 3 S+ 0 0 7 1,-0.3 -28,-0.0 -3,-0.3 329,-0.0 -0.304 78.2 7.1 59.7-119.4 -39.0 31.1 60.7 39 39 X R T 3 S+ 0 0 56 -2,-0.2 18,-2.7 1,-0.1 2,-0.9 0.580 119.8 77.7 -81.1 -3.1 -40.1 27.4 61.3 40 40 X A < + 0 0 8 -3,-2.5 2,-0.5 16,-0.2 -1,-0.1 -0.903 68.1 164.0 -96.2 104.7 -42.4 28.6 64.1 41 41 X Y + 0 0 49 -2,-0.9 14,-2.7 16,-0.1 15,-0.5 -0.857 16.2 177.7-133.1 93.0 -45.2 29.9 61.9 42 42 X S E +J 54 0C 17 -2,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.743 24.0 136.7 -88.7 143.4 -48.6 30.7 63.3 43 43 X R E -J 53 0C 43 10,-2.2 10,-3.4 -2,-0.3 2,-0.1 -0.970 55.3 -53.5-167.6 174.9 -51.2 32.1 60.8 44 44 X E E -J 52 0C 117 -2,-0.3 8,-0.3 8,-0.2 2,-0.0 -0.428 60.3-104.6 -64.8 134.8 -54.7 31.8 59.7 45 45 X S - 0 0 5 6,-4.2 6,-0.2 3,-0.4 5,-0.2 -0.324 15.6-144.8 -49.5 130.4 -56.1 28.5 58.7 46 46 X R S S+ 0 0 146 1,-0.1 -1,-0.1 3,-0.1 310,-0.1 0.593 101.8 39.8 -67.7 -18.7 -56.4 27.9 54.9 47 47 X N S S+ 0 0 44 1,-0.2 -1,-0.1 4,-0.1 310,-0.0 0.774 115.4 45.4-104.5 -34.5 -59.5 25.9 55.7 48 48 X V S > S- 0 0 21 3,-0.2 3,-2.3 0, 0.0 -3,-0.4 -0.863 80.2-133.8-121.2 96.8 -61.3 27.7 58.5 49 49 X P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.125 91.4 16.5 -36.6 128.5 -61.7 31.4 58.2 50 50 X G T 3 S+ 0 0 69 1,-0.2 2,-0.5 -5,-0.2 -6,-0.0 0.428 95.7 121.7 83.7 -0.4 -60.7 33.2 61.4 51 51 X L < - 0 0 38 -3,-2.3 -6,-4.2 -6,-0.2 2,-0.5 -0.845 52.6-145.5-105.5 128.3 -58.9 30.2 62.9 52 52 X R E +J 44 0C 125 -2,-0.5 2,-0.3 -8,-0.3 -8,-0.2 -0.772 24.7 178.7 -88.8 129.3 -55.3 30.6 63.9 53 53 X V E -J 43 0C 0 -10,-3.4 -10,-2.2 -2,-0.5 2,-0.7 -0.903 32.8-118.8-129.2 159.4 -53.1 27.5 63.4 54 54 X E E +J 42 0C 7 -2,-0.3 -12,-0.2 -12,-0.2 4,-0.1 -0.860 25.1 179.3 -96.1 114.3 -49.4 26.4 63.9 55 55 X I S S+ 0 0 2 -14,-2.7 304,-0.4 -2,-0.7 232,-0.2 0.578 75.5 6.5 -90.9 -13.5 -48.1 25.4 60.5 56 56 X G S S+ 0 0 13 -15,-0.5 -16,-0.2 1,-0.3 2,-0.1 -0.149 121.6 16.5-127.5-124.4 -44.7 24.6 62.0 57 57 X G + 0 0 27 -18,-2.7 -1,-0.3 1,-0.2 149,-0.2 -0.321 62.3 138.7 -64.1 128.5 -43.4 24.5 65.6 58 58 X A + 0 0 4 -2,-0.1 144,-0.6 1,-0.1 2,-0.3 0.612 39.3 81.7-138.7 -38.2 -46.1 24.4 68.2 59 59 X Y E +K 201 0D 41 142,-0.1 2,-0.3 140,-0.0 349,-0.3 -0.608 44.9 166.6 -97.6 144.6 -45.4 22.0 71.1 60 60 X L E -K 200 0D 0 140,-2.4 140,-3.0 -2,-0.3 139,-0.8 -0.959 24.4-152.4-146.3 164.7 -43.4 22.6 74.2 61 61 X H >> - 0 0 30 -2,-0.3 4,-2.3 138,-0.2 3,-0.8 -0.902 12.4-150.3-144.3 113.0 -42.6 21.2 77.7 62 62 X R T 34 S+ 0 0 87 -2,-0.3 7,-0.2 1,-0.3 8,-0.1 0.780 95.9 52.2 -57.0 -33.1 -41.4 23.5 80.4 63 63 X K T 34 S+ 0 0 156 1,-0.2 -1,-0.3 2,-0.1 134,-0.0 0.848 119.5 33.6 -75.6 -35.6 -39.4 20.9 82.2 64 64 X H T <4 S+ 0 0 21 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.692 123.3 48.9 -84.2 -20.5 -37.4 19.9 79.1 65 65 X H X + 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 -0.587 61.7 156.1-125.1 66.5 -37.4 23.3 77.6 66 66 X P H > S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.798 72.5 54.1 -74.1 -30.5 -36.3 25.7 80.3 67 67 X R H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.922 112.3 45.4 -65.7 -44.0 -35.0 28.5 78.1 68 68 X L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 109.6 55.3 -64.4 -38.5 -38.3 28.6 76.3 69 69 X A H X S+ 0 0 8 -4,-2.0 4,-2.2 -7,-0.2 -1,-0.2 0.884 106.0 52.6 -63.7 -36.8 -40.1 28.5 79.7 70 70 X A H X S+ 0 0 53 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.893 106.9 51.9 -63.4 -42.5 -38.1 31.5 80.7 71 71 X E H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.900 110.0 49.3 -59.1 -44.0 -39.2 33.4 77.6 72 72 X L H X>S+ 0 0 1 -4,-2.2 5,-2.4 2,-0.2 4,-0.7 0.912 113.8 45.1 -63.8 -43.6 -42.8 32.6 78.3 73 73 X D H ><5S+ 0 0 101 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.923 109.8 56.6 -63.5 -46.4 -42.4 33.8 81.9 74 74 X R H 3<5S+ 0 0 116 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.897 119.9 28.9 -47.8 -48.3 -40.5 36.9 80.8 75 75 X Y H 3<5S- 0 0 53 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.377 105.6-118.6-101.4 4.0 -43.3 38.1 78.5 76 76 X G T <<5 + 0 0 62 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.924 48.9 174.7 55.5 47.0 -46.3 36.6 80.3 77 77 X I < - 0 0 14 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.760 24.7-131.4 -91.0 123.0 -47.2 34.5 77.3 78 78 X P + 0 0 56 0, 0.0 125,-1.9 0, 0.0 126,-0.6 -0.433 28.3 176.7 -79.8 143.7 -50.0 32.1 77.9 79 79 X T E +L 202 0D 35 123,-0.3 2,-0.3 124,-0.2 123,-0.2 -0.850 5.7 162.1-136.6 171.5 -49.9 28.4 77.1 80 80 X A E -L 201 0D 39 121,-2.1 121,-4.1 -2,-0.3 2,-0.2 -0.958 47.0 -75.7-172.3 163.0 -52.0 25.3 77.4 81 81 X A - 0 0 62 119,-0.3 119,-0.1 -2,-0.3 3,-0.1 -0.571 37.4-135.9 -63.1 138.8 -52.6 21.8 76.2 82 82 X A S S- 0 0 36 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.786 79.6 -16.2 -64.0 -27.3 -54.2 21.9 72.8 83 83 X S - 0 0 27 229,-0.1 2,-0.5 231,-0.1 -1,-0.2 -0.982 64.3-106.4-170.5 154.7 -56.6 19.1 73.9 84 84 X E - 0 0 158 -2,-0.3 2,-0.6 -3,-0.1 228,-0.0 -0.902 37.9-138.3 -94.4 132.1 -57.2 16.4 76.4 85 85 X F + 0 0 62 -2,-0.5 214,-0.2 1,-0.2 15,-0.1 -0.836 46.7 137.1-105.2 121.6 -56.6 13.0 74.9 86 86 X T + 0 0 80 212,-1.8 2,-0.6 -2,-0.6 213,-0.2 0.557 51.2 70.2-140.9 -31.4 -59.2 10.4 75.8 87 87 X S E -m 299 0E 20 211,-2.1 213,-2.6 210,-0.1 2,-0.5 -0.897 58.9-167.9-107.9 115.4 -60.1 8.4 72.7 88 88 X F E +m 300 0E 36 -2,-0.6 213,-0.2 10,-0.4 2,-0.1 -0.851 12.8 174.3-105.9 132.0 -57.5 6.1 71.3 89 89 X R + 0 0 62 211,-2.0 9,-0.1 -2,-0.5 -1,-0.0 -0.545 20.3 176.0-134.9 63.2 -57.9 4.5 67.9 90 90 X H - 0 0 20 211,-0.2 2,-0.3 -2,-0.1 213,-0.2 -0.276 31.2-152.6 -76.1 154.0 -54.7 2.6 67.2 91 91 X R B +r 303 0F 116 211,-1.9 213,-1.5 1,-0.1 214,-0.1 -0.716 58.4 116.9-117.8 79.6 -53.7 0.4 64.3 92 92 X L S S- 0 0 13 1,-0.5 3,-0.2 -2,-0.3 66,-0.1 0.153 80.8 -90.3-130.2 10.5 -51.2 -1.8 66.1 93 93 X G > - 0 0 48 1,-0.2 3,-1.0 -3,-0.1 -1,-0.5 -0.306 53.7 -57.3 97.6 178.7 -53.0 -5.1 65.7 94 94 X P T 3 S+ 0 0 135 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.630 126.9 53.0 -78.2 -15.4 -55.6 -7.0 67.6 95 95 X T T 3 S+ 0 0 74 -3,-0.2 11,-0.1 2,-0.1 -2,-0.1 0.574 83.2 103.8 -91.3 -11.5 -53.6 -7.3 70.8 96 96 X A < - 0 0 23 -3,-1.0 2,-0.4 7,-0.1 7,-0.2 -0.261 68.7-128.1 -70.7 156.0 -52.8 -3.6 71.4 97 97 X V - 0 0 41 5,-2.6 2,-2.1 2,-0.1 -1,-0.1 -0.829 17.2-118.2-103.6 148.7 -54.8 -1.8 74.0 98 98 X D S S+ 0 0 100 -2,-0.4 -10,-0.4 -9,-0.1 2,-0.3 -0.477 77.7 102.7 -85.6 75.2 -56.6 1.4 73.3 99 99 X Q S S- 0 0 115 -2,-2.1 -2,-0.1 -12,-0.1 -9,-0.1 -0.859 89.8 -95.4-138.7 174.8 -54.7 3.6 75.7 100 100 X A S S+ 0 0 56 -2,-0.3 -2,-0.0 1,-0.3 -14,-0.0 0.797 127.1 42.0 -63.8 -34.6 -51.9 6.1 75.3 101 101 X F S S- 0 0 96 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 -0.939 79.8-178.0-112.2 101.6 -49.5 3.3 76.1 102 102 X P + 0 0 0 0, 0.0 -5,-2.6 0, 0.0 -1,-0.1 0.290 32.7 126.3 -96.8 8.8 -50.9 0.6 74.1 103 103 X I - 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0 0 12 0, 0.0 3,-2.0 0, 0.0 4,-1.7 -0.322 44.1-102.3 -64.1 158.9 -38.9 6.4 57.5 172 172 X A T 34 S+ 0 0 26 1,-0.3 -28,-1.4 2,-0.2 -29,-0.6 0.786 119.3 58.3 -60.4 -31.1 -37.0 3.8 59.5 173 173 X D T 34 S+ 0 0 98 1,-0.2 -1,-0.3 -30,-0.2 -28,-0.0 0.569 113.6 37.4 -76.8 -9.6 -34.7 2.9 56.6 174 174 X Q T <4 S+ 0 0 71 -3,-2.0 202,-0.6 -32,-0.1 -2,-0.2 0.604 98.5 93.2-113.6 -22.8 -33.4 6.5 56.3 175 175 X A S < S- 0 0 0 -4,-1.7 -32,-2.7 200,-0.1 2,-0.5 -0.438 74.6-123.5 -72.8 144.6 -33.3 7.4 59.9 176 176 X S B > -S 142 0G 2 198,-0.5 4,-1.7 -34,-0.2 3,-0.4 -0.804 4.1-147.9 -87.9 126.2 -30.2 7.1 62.0 177 177 X A H > S+ 0 0 0 -36,-2.7 4,-2.1 -2,-0.5 -37,-0.2 0.891 101.5 58.2 -51.9 -42.9 -30.4 5.0 65.2 178 178 X L H > S+ 0 0 1 -39,-1.0 4,-1.7 -37,-0.3 -1,-0.2 0.848 103.9 51.5 -59.6 -35.8 -27.8 7.2 66.7 179 179 X W H > S+ 0 0 3 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.887 106.6 52.6 -71.2 -41.3 -30.0 10.2 66.1 180 180 X M H X S+ 0 0 13 -4,-1.7 4,-2.2 2,-0.2 3,-0.2 0.919 109.9 49.6 -51.8 -48.0 -33.0 8.6 67.8 181 181 X L H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.839 105.1 59.1 -65.7 -33.7 -30.8 7.9 70.7 182 182 X Q H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.878 106.5 45.9 -54.9 -44.4 -29.7 11.6 70.6 183 183 X L H X S+ 0 0 10 -4,-1.7 4,-1.4 2,-0.2 7,-0.2 0.869 111.1 53.7 -70.3 -41.6 -33.3 12.7 71.1 184 184 X V H >< S+ 0 0 5 -4,-2.2 6,-1.9 -5,-0.2 3,-0.7 0.978 111.3 45.4 -51.3 -53.6 -33.6 10.1 73.8 185 185 X A H >X S+ 0 0 1 -4,-3.1 4,-1.5 4,-0.2 3,-0.9 0.912 107.2 58.7 -56.0 -47.2 -30.5 11.7 75.5 186 186 X A H 3< S+ 0 0 11 -4,-2.7 2,-0.5 1,-0.3 -1,-0.2 0.811 98.3 60.3 -55.0 -32.5 -31.8 15.3 75.0 187 187 X H T << S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.7 6,-0.2 -0.216 135.5 -83.3 -90.5 43.4 -34.9 14.4 77.1 188 188 X H T <4 S- 0 0 164 -3,-0.9 -2,-0.2 -2,-0.5 -3,-0.2 0.922 86.3 -55.4 54.6 49.3 -32.8 13.6 80.1 189 189 X Y S < S+ 0 0 64 -4,-1.5 2,-0.4 -5,-0.4 -4,-0.2 0.940 103.4 137.5 48.5 61.0 -32.1 10.1 78.9 190 190 X S > - 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