==== 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 19-FEB-04 1SEZ . COMPND 2 MOLECULE: PROTOPORPHYRINOGEN OXIDASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR M.KOCH,C.BREITHAUPT,R.KIEFERSAUER,J.FREIGANG,R.HUBER, . 930 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 72 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 7 3 3 0 5 8 0 2 0 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 7 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 PARALLEL BRIDGES PER LADDER . 10 4 3 5 0 1 0 2 2 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 . 4 0 0 4 0 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 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 13 A A 0 0 128 0, 0.0 2,-0.2 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 106.9 -8.0 16.2 7.6 2 14 A K - 0 0 72 265,-0.0 24,-1.4 266,-0.0 2,-0.4 -0.592 360.0-153.6 -87.9 150.8 -8.3 13.9 10.6 3 15 A R E -a 26 0A 103 -2,-0.2 265,-2.6 22,-0.1 266,-0.9 -0.981 2.5-157.3-128.0 137.4 -10.0 10.5 10.4 4 16 A V E -ab 27 269A 0 22,-1.7 24,-1.8 -2,-0.4 2,-0.3 -0.961 8.6-144.0-121.6 128.8 -11.7 8.6 13.1 5 17 A A E -ab 28 270A 0 264,-2.7 266,-3.3 -2,-0.5 2,-0.5 -0.678 13.0-166.8 -86.4 138.6 -12.4 4.9 13.2 6 18 A V E -ab 29 271A 0 22,-1.7 24,-1.9 -2,-0.3 2,-0.7 -0.945 7.0-155.0-129.1 109.0 -15.6 3.7 14.8 7 19 A I E +ab 30 272A 9 264,-2.6 266,-1.3 -2,-0.5 267,-0.2 -0.745 65.7 29.2 -88.1 115.3 -15.9 0.0 15.6 8 20 A G - 0 0 12 22,-2.9 23,-0.2 -2,-0.7 22,-0.1 0.296 61.2-139.0 109.2 124.3 -19.6 -1.1 15.7 9 21 A A + 0 0 0 28,-0.1 -1,-0.1 26,-0.1 2,-0.1 -0.215 60.1 123.7-106.6 42.1 -22.6 0.3 13.9 10 22 A G S > S- 0 0 14 28,-0.1 4,-2.6 27,-0.1 5,-0.3 -0.297 86.8 -82.6 -88.5-179.6 -25.1 0.1 16.7 11 23 A V H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.881 133.0 52.5 -53.6 -36.1 -27.0 3.1 18.0 12 24 A S H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 111.2 43.1 -66.3 -43.9 -23.9 4.1 20.0 13 25 A G H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.865 115.6 48.9 -70.1 -36.9 -21.5 3.9 17.1 14 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.847 110.0 52.4 -70.0 -35.1 -23.9 5.7 14.7 15 27 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.954 112.9 44.5 -63.6 -50.7 -24.5 8.4 17.3 16 28 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.896 113.3 50.3 -60.3 -45.0 -20.7 8.9 17.7 17 29 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.859 113.7 46.3 -62.7 -36.3 -20.2 8.9 13.9 18 30 A Y H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 109.7 50.2 -72.5 -49.1 -23.0 11.4 13.4 19 31 A K H < S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.8 51.6 -59.4 -28.7 -21.9 13.8 16.1 20 32 A L H >< S+ 0 0 0 -4,-1.4 3,-1.6 -5,-0.2 5,-0.4 0.945 107.1 49.0 -74.0 -51.9 -18.5 13.5 14.5 21 33 A K H >< S+ 0 0 55 -4,-2.3 3,-2.5 1,-0.3 -2,-0.2 0.919 102.6 59.6 -56.1 -48.5 -19.5 14.3 10.9 22 34 A I T 3< S+ 0 0 92 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.440 105.4 54.4 -64.7 6.7 -21.5 17.4 11.7 23 35 A H T < S- 0 0 87 -3,-1.6 2,-1.1 2,-0.2 -1,-0.3 0.009 121.4-104.7-125.9 24.1 -18.2 18.7 13.1 24 36 A G S < S+ 0 0 59 -3,-2.5 -3,-0.1 1,-0.2 -2,-0.1 -0.332 74.8 132.9 89.3 -55.4 -16.2 18.2 10.0 25 37 A L - 0 0 27 -2,-1.1 2,-0.3 -5,-0.4 -2,-0.2 0.013 57.9-124.9 -37.2 125.2 -14.2 15.1 10.9 26 38 A N E -a 3 0A 51 -24,-1.4 -22,-1.7 -3,-0.1 2,-0.3 -0.620 34.8-159.5 -76.0 132.6 -14.2 12.4 8.2 27 39 A V E -a 4 0A 0 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.871 21.2-166.6-124.1 152.7 -15.4 9.1 9.6 28 40 A T E -a 5 0A 7 -24,-1.8 -22,-1.7 -2,-0.3 2,-0.6 -1.000 12.2-158.6-133.5 130.5 -15.3 5.4 8.8 29 41 A V E -ac 6 228A 0 198,-4.1 200,-3.0 -2,-0.4 2,-0.5 -0.925 2.4-155.8-118.0 115.6 -17.6 2.9 10.5 30 42 A F E -ac 7 229A 3 -24,-1.9 -22,-2.9 -2,-0.6 2,-0.5 -0.751 11.9-174.2 -90.0 129.0 -16.7 -0.8 10.6 31 43 A E - 0 0 23 198,-2.9 201,-1.1 -2,-0.5 200,-0.3 -0.962 18.2-161.2-125.8 117.3 -19.7 -3.2 11.1 32 44 A A S S+ 0 0 30 -2,-0.5 201,-0.3 199,-0.2 -1,-0.1 0.899 74.9 67.7 -59.6 -42.6 -19.2 -6.9 11.6 33 45 A E S S- 0 0 107 2,-0.2 198,-2.8 199,-0.1 199,-0.3 -0.162 89.1-115.7 -76.2 171.0 -22.8 -7.8 10.6 34 46 A G S S+ 0 0 36 196,-0.2 2,-0.3 197,-0.1 196,-0.1 0.680 98.0 52.7 -80.9 -19.8 -24.5 -7.4 7.2 35 47 A K S S- 0 0 137 2,-0.1 -2,-0.2 1,-0.1 -26,-0.1 -0.878 76.5-134.8-117.9 151.5 -26.9 -4.8 8.4 36 48 A A S S+ 0 0 14 -2,-0.3 -1,-0.1 194,-0.1 -22,-0.1 0.894 70.9 105.0 -71.3 -44.9 -26.3 -1.5 10.1 37 49 A G - 0 0 7 2,-0.1 -28,-0.1 -27,-0.1 -2,-0.1 0.042 58.3-153.9 -35.8 144.9 -28.9 -1.7 12.8 38 50 A G S S- 0 0 20 -30,-0.1 -28,-0.1 175,-0.0 -3,-0.1 0.574 71.2 -32.0 -91.0-112.6 -27.4 -2.5 16.2 39 51 A K S S+ 0 0 90 14,-0.1 15,-1.8 406,-0.0 2,-0.8 0.392 126.1 95.4 -83.1 -1.1 -29.5 -4.2 18.8 40 52 A L + 0 0 4 13,-0.2 2,-0.2 172,-0.1 15,-0.1 -0.856 52.6 157.1 -91.3 113.3 -32.1 -2.1 17.0 41 53 A R - 0 0 64 -2,-0.8 11,-2.7 13,-0.3 12,-0.4 -0.698 16.9-176.6-146.3 90.3 -33.6 -4.5 14.4 42 54 A S E -E 51 0B 19 -2,-0.2 2,-0.4 9,-0.2 9,-0.2 -0.623 9.0-159.3 -89.2 144.5 -37.1 -4.0 12.9 43 55 A V E -E 50 0B 34 7,-3.6 7,-2.4 -2,-0.3 2,-0.5 -0.971 5.9-155.7-127.9 140.6 -38.7 -6.5 10.5 44 56 A S E +E 49 0B 89 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.940 31.9 134.6-115.7 125.5 -41.5 -6.1 8.0 45 57 A Q E > -E 48 0B 91 3,-2.6 2,-1.5 -2,-0.5 3,-0.7 -0.563 56.2 -7.1-142.1-153.5 -43.6 -9.0 6.8 46 58 A D T 3 S- 0 0 100 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 -0.278 126.3 -44.8 -52.7 82.8 -46.9 -10.5 6.0 47 59 A G T 3 S+ 0 0 50 -2,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.687 120.6 111.3 59.6 21.2 -49.0 -7.6 7.3 48 60 A L E < -E 45 0B 8 -3,-0.7 -3,-2.6 304,-0.2 2,-0.4 -0.905 47.0-169.7-125.8 153.5 -46.8 -7.4 10.4 49 61 A I E +E 44 0B 40 302,-1.4 2,-0.3 -2,-0.3 -5,-0.2 -0.964 24.9 159.3-140.7 118.5 -44.2 -5.0 11.7 50 62 A W E -E 43 0B 3 -7,-2.4 -7,-3.6 -2,-0.4 2,-0.5 -0.962 36.6-127.4-143.8 162.2 -42.1 -6.1 14.6 51 63 A D E -E 42 0B 0 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.932 9.0-170.5-110.5 126.8 -38.8 -5.4 16.5 52 64 A E S S+ 0 0 17 -11,-2.7 254,-0.2 -2,-0.5 -10,-0.1 0.553 82.6 20.1 -89.9 -9.6 -36.5 -8.3 17.2 53 65 A G S S+ 0 0 15 1,-0.4 -13,-0.2 -12,-0.4 -2,-0.1 -0.006 122.2 12.1-125.6-128.9 -34.4 -6.1 19.5 54 66 A A - 0 0 27 -15,-1.8 -1,-0.4 1,-0.2 158,-0.4 -0.310 57.0-175.0 -55.5 132.5 -35.2 -2.9 21.3 55 67 A N + 0 0 16 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.698 62.0 8.7-102.8 -26.2 -38.9 -2.3 21.2 56 68 A T - 0 0 58 151,-0.1 389,-0.3 155,-0.0 2,-0.3 -0.902 60.6-170.8-148.2 173.4 -39.2 1.1 22.8 57 69 A X B -F 206 0C 9 149,-2.0 149,-1.6 -2,-0.3 2,-0.3 -0.954 10.1-140.2-160.4 171.8 -37.1 4.0 24.0 58 70 A T - 0 0 50 -2,-0.3 2,-0.3 147,-0.2 3,-0.2 -0.924 15.8-133.0-139.3 162.8 -37.2 7.3 25.9 59 71 A E + 0 0 36 145,-0.4 6,-0.1 -2,-0.3 146,-0.0 -0.518 58.3 127.3-118.6 65.8 -35.7 10.7 25.7 60 72 A S + 0 0 92 -2,-0.3 2,-0.4 4,-0.0 -1,-0.2 0.405 63.8 79.7 -92.2 -3.5 -34.5 11.3 29.3 61 73 A E S >> S- 0 0 47 -3,-0.2 4,-1.3 1,-0.1 3,-0.7 -0.883 80.0-138.1-108.6 139.4 -31.1 12.1 27.8 62 74 A G H 3> S+ 0 0 33 -2,-0.4 4,-2.5 1,-0.2 3,-0.3 0.916 104.2 58.2 -59.2 -43.6 -30.4 15.4 26.2 63 75 A D H 3> S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.755 100.9 56.0 -58.7 -28.7 -28.6 13.7 23.4 64 76 A V H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.913 108.9 45.8 -70.7 -42.9 -31.7 11.7 22.4 65 77 A T H X S+ 0 0 9 -4,-1.3 4,-1.8 -3,-0.3 -2,-0.2 0.923 112.8 52.0 -63.7 -45.3 -33.7 14.9 22.0 66 78 A F H X S+ 0 0 72 -4,-2.5 4,-2.8 1,-0.2 3,-0.2 0.938 112.7 43.7 -56.1 -52.9 -30.9 16.5 20.1 67 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.891 107.4 58.1 -63.0 -41.7 -30.7 13.6 17.7 68 80 A I H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 6,-0.6 0.884 114.5 40.8 -55.2 -37.7 -34.4 13.2 17.2 69 81 A D H ><5S+ 0 0 68 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.935 112.3 51.8 -76.7 -49.6 -34.4 16.8 16.0 70 82 A S H 3<5S+ 0 0 53 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.966 116.0 40.2 -51.3 -60.8 -31.2 16.8 13.9 71 83 A L T 3<5S- 0 0 28 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.575 111.5-128.0 -65.9 -7.6 -32.3 13.8 11.9 72 84 A G T < 5 + 0 0 51 -3,-0.9 3,-0.2 -5,-0.3 -3,-0.2 0.958 57.3 147.3 58.4 56.8 -35.8 15.3 11.9 73 85 A L >>< + 0 0 3 -5,-3.0 4,-1.2 -6,-0.2 3,-1.2 0.404 32.3 106.6-102.0 0.9 -37.6 12.2 13.2 74 86 A R G >4 S+ 0 0 85 -6,-0.6 3,-0.6 1,-0.3 -1,-0.2 0.856 81.7 49.9 -46.1 -45.4 -40.3 14.0 15.2 75 87 A E G 34 S+ 0 0 194 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.807 112.8 47.8 -67.0 -27.7 -43.0 13.0 12.6 76 88 A K G <4 S+ 0 0 115 -3,-1.2 133,-2.4 -4,-0.1 2,-0.3 0.587 84.2 111.5 -89.3 -9.8 -41.8 9.4 12.7 77 89 A Q E << -G 208 0D 25 -4,-1.2 2,-0.5 -3,-0.6 131,-0.3 -0.479 54.0-162.0 -65.8 126.0 -41.8 9.3 16.5 78 90 A Q E -G 207 0D 34 129,-3.0 129,-3.5 -2,-0.3 -2,-0.1 -0.954 8.3-164.6-121.2 125.9 -44.6 6.9 17.5 79 91 A F - 0 0 77 -2,-0.5 127,-0.1 127,-0.2 2,-0.1 -0.643 35.9 -90.9-101.1 160.8 -46.2 6.7 21.0 80 92 A P - 0 0 27 0, 0.0 268,-0.2 0, 0.0 267,-0.1 -0.477 23.6-155.2 -71.5 141.6 -48.4 3.8 22.2 81 93 A L S S+ 0 0 82 266,-2.2 266,-0.2 265,-0.2 267,-0.1 0.768 73.5 81.9 -84.9 -27.6 -52.1 4.3 21.6 82 94 A S S S- 0 0 12 264,-0.4 241,-0.0 1,-0.1 265,-0.0 -0.379 94.8 -93.7 -77.5 155.3 -53.0 2.0 24.5 83 95 A Q - 0 0 118 1,-0.1 2,-1.1 -2,-0.1 -1,-0.1 -0.256 41.8-105.4 -63.1 153.7 -53.0 3.2 28.1 84 96 A N + 0 0 98 238,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.746 66.5 139.1 -86.4 103.4 -49.9 2.7 30.1 85 97 A K - 0 0 51 -2,-1.1 238,-1.7 2,-0.0 239,-0.9 -0.917 31.0-166.0-148.9 116.8 -50.8 -0.2 32.3 86 98 A R E -h 324 0E 111 -2,-0.3 11,-2.0 236,-0.2 2,-0.3 -0.687 7.4-149.6-103.4 158.0 -48.4 -3.0 33.0 87 99 A Y E -hI 325 96E 15 237,-1.1 239,-2.6 -2,-0.3 2,-0.4 -0.929 2.1-152.2-128.1 153.7 -49.4 -6.3 34.6 88 100 A I E -hI 326 95E 2 7,-2.9 7,-3.0 -2,-0.3 2,-0.5 -0.951 22.3-121.8-124.4 143.2 -47.5 -8.8 36.8 89 101 A A E - I 0 94E 0 237,-1.7 2,-0.5 -2,-0.4 242,-0.1 -0.763 30.7-174.9 -87.4 125.8 -48.2 -12.5 36.9 90 102 A R S S- 0 0 64 3,-2.5 3,-0.4 -2,-0.5 -2,-0.0 -0.973 71.1 -19.7-127.3 116.9 -49.1 -13.6 40.4 91 103 A N S S- 0 0 98 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.518 135.0 -45.2 63.5 6.8 -49.5 -17.3 41.2 92 104 A G S S+ 0 0 1 1,-0.3 -1,-0.2 243,-0.0 -3,-0.1 0.682 120.2 79.1 114.2 21.6 -50.0 -17.7 37.5 93 105 A T S S- 0 0 68 -3,-0.4 -3,-2.5 -5,-0.1 -1,-0.3 -0.989 81.8 -88.6-155.9 147.7 -52.3 -15.0 36.3 94 106 A P E -I 89 0E 33 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.333 37.9-177.7 -62.8 131.9 -52.1 -11.3 35.4 95 107 A V E -I 88 0E 51 -7,-3.0 -7,-2.9 -2,-0.1 2,-0.2 -0.983 35.4-105.1-125.0 137.2 -52.7 -8.8 38.2 96 108 A L E -I 87 0E 89 -2,-0.4 -9,-0.2 -9,-0.2 13,-0.1 -0.460 33.8-128.6 -67.8 130.2 -52.6 -5.1 37.5 97 109 A L - 0 0 40 -11,-2.0 2,-0.4 -2,-0.2 -11,-0.1 -0.420 29.9 -99.7 -74.7 148.3 -49.4 -3.3 38.7 98 110 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.570 24.1-152.2 -73.9 128.4 -49.8 -0.2 40.9 99 111 A S S S+ 0 0 101 -2,-0.4 -2,-0.0 1,-0.1 3,-0.0 0.791 73.1 16.7 -70.9 -29.0 -49.3 3.0 39.0 100 112 A N S > S- 0 0 27 1,-0.1 4,-1.0 0, 0.0 3,-0.4 -0.993 81.0-101.8-147.2 154.3 -48.0 5.1 41.9 101 113 A P H >> S+ 0 0 92 0, 0.0 3,-1.2 0, 0.0 4,-1.0 0.819 116.1 58.2 -37.3 -50.5 -46.5 4.8 45.5 102 114 A I H >> S+ 0 0 14 1,-0.3 4,-2.4 2,-0.2 3,-1.7 0.958 101.7 52.1 -49.9 -60.8 -49.8 5.7 47.1 103 115 A D H 3> S+ 0 0 67 -3,-0.4 4,-2.2 1,-0.3 6,-0.3 0.730 99.8 68.1 -50.9 -20.7 -51.7 2.8 45.5 104 116 A L H << S+ 0 0 29 -3,-1.2 6,-0.4 -4,-1.0 -1,-0.3 0.922 111.4 29.8 -65.1 -44.5 -48.9 0.6 46.9 105 117 A I H << S+ 0 0 11 -3,-1.7 -2,-0.2 -4,-1.0 -1,-0.2 0.746 124.0 51.4 -85.2 -25.4 -50.0 1.2 50.5 106 118 A K H < S+ 0 0 63 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.681 104.6 61.8 -85.3 -20.7 -53.7 1.6 49.5 107 119 A S S < S- 0 0 33 -4,-2.2 3,-0.2 -5,-0.3 -3,-0.0 -0.176 83.2-119.5 -94.9-169.6 -54.1 -1.6 47.4 108 120 A N S S+ 0 0 149 1,-0.1 -4,-0.1 -2,-0.1 4,-0.1 0.271 83.1 106.6-114.1 8.2 -53.8 -5.2 48.3 109 121 A F S S+ 0 0 17 -6,-0.3 2,-0.3 -13,-0.1 -1,-0.1 0.767 82.3 48.4 -57.3 -25.2 -51.0 -5.9 46.0 110 122 A L S S- 0 0 4 -6,-0.4 5,-0.0 -3,-0.2 2,-0.0 -0.890 91.3-110.1-118.6 151.9 -48.7 -6.0 49.0 111 123 A S >> - 0 0 51 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.216 32.2-107.4 -71.0 164.4 -49.1 -7.9 52.3 112 124 A T H 3> S+ 0 0 101 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.871 121.0 52.6 -62.5 -34.5 -49.8 -6.1 55.6 113 125 A G H 3> S+ 0 0 46 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.746 106.6 52.9 -74.0 -22.7 -46.2 -6.8 56.8 114 126 A S H <> S+ 0 0 9 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.864 107.9 49.0 -79.8 -36.4 -44.7 -5.3 53.6 115 127 A K H X S+ 0 0 20 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.903 112.4 47.8 -67.8 -44.5 -46.6 -2.0 53.9 116 128 A L H X S+ 0 0 55 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.890 111.2 51.7 -65.0 -37.3 -45.6 -1.6 57.5 117 129 A Q H < S+ 0 0 64 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.788 113.4 45.3 -70.1 -25.2 -42.0 -2.4 56.6 118 130 A X H >< S+ 0 0 24 -4,-1.2 3,-3.0 2,-0.2 -2,-0.2 0.968 113.2 47.1 -77.8 -62.8 -42.1 0.2 53.8 119 131 A L H 3< S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.3 4,-0.2 0.812 116.2 45.5 -48.1 -38.1 -43.7 3.0 55.9 120 132 A L T >X S+ 0 0 33 -4,-2.1 4,-3.2 -5,-0.3 3,-0.8 0.388 84.5 99.5 -89.5 6.2 -41.3 2.3 58.7 121 133 A E H <> S+ 0 0 0 -3,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.845 75.5 59.7 -60.8 -33.2 -38.4 2.2 56.3 122 134 A P H 34 S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.852 116.7 32.8 -65.2 -30.6 -37.5 5.8 57.1 123 135 A I H <4 S+ 0 0 58 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.878 118.2 49.5 -90.7 -44.6 -37.0 4.8 60.8 124 136 A L H < 0 0 104 -4,-3.2 -3,-0.2 -7,-0.1 -1,-0.1 0.627 360.0 360.0 -70.7 -11.9 -35.7 1.2 60.5 125 137 A W < 0 0 127 -4,-1.2 56,-0.2 -5,-0.3 -4,-0.1 0.093 360.0 360.0-155.6 360.0 -33.1 2.4 57.9 126 ! 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 0.0 127 148 A S 0 0 116 0, 0.0 39,-0.0 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 -61.8 -19.4 -2.9 48.5 128 149 A H + 0 0 126 38,-0.1 37,-0.1 2,-0.1 35,-0.0 0.195 360.0 155.7-133.5 10.3 -20.8 -5.8 46.3 129 150 A E - 0 0 47 35,-0.1 36,-3.6 1,-0.1 37,-0.5 -0.069 39.2-127.7 -45.9 134.7 -24.4 -5.9 47.5 130 151 A S B > -N 164 0F 31 34,-0.3 4,-2.2 35,-0.1 34,-0.2 -0.509 21.0-112.5 -83.3 157.8 -26.7 -7.5 44.9 131 152 A V H > S+ 0 0 0 32,-2.1 4,-1.9 29,-0.6 5,-0.3 0.927 120.4 52.4 -50.9 -47.7 -29.9 -5.7 43.8 132 153 A S H > S+ 0 0 17 28,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.881 107.7 48.3 -55.9 -49.0 -31.8 -8.5 45.6 133 154 A G H > S+ 0 0 18 27,-0.3 4,-2.6 2,-0.2 5,-0.3 0.950 111.9 49.0 -61.4 -51.0 -30.0 -8.2 48.9 134 155 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.978 116.2 40.0 -50.9 -74.6 -30.3 -4.4 49.2 135 156 A F H X>S+ 0 0 17 -4,-1.9 4,-3.2 1,-0.2 5,-0.9 0.809 112.6 59.5 -46.6 -37.9 -34.0 -4.3 48.4 136 157 A Q H X5S+ 0 0 75 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.991 108.9 40.5 -55.3 -65.9 -34.6 -7.4 50.5 137 158 A R H <5S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.776 122.0 44.6 -57.1 -27.4 -33.2 -5.9 53.7 138 159 A H H <5S+ 0 0 2 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.938 133.3 5.6 -84.4 -50.2 -34.9 -2.6 53.0 139 160 A F H <5S- 0 0 18 -4,-3.2 4,-0.3 1,-0.2 -3,-0.2 0.517 103.6-109.4-116.5 -4.8 -38.4 -3.4 51.9 140 161 A G X< - 0 0 3 -4,-2.5 4,-0.7 -5,-0.9 -1,-0.2 -0.234 34.8 -69.7 102.6 168.7 -38.8 -7.1 52.3 141 162 A K H >> S+ 0 0 98 2,-0.2 4,-3.1 1,-0.2 3,-0.6 0.870 121.6 57.7 -70.2 -42.3 -39.1 -10.2 50.1 142 163 A E H 3> S+ 0 0 31 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.939 108.5 50.1 -55.2 -44.6 -42.6 -9.7 48.6 143 164 A V H 34>S+ 0 0 12 -4,-0.3 5,-2.4 1,-0.2 4,-0.5 0.730 112.5 46.4 -67.1 -23.8 -41.3 -6.4 47.2 144 165 A V H <<>S+ 0 0 5 -4,-0.7 5,-1.5 -3,-0.6 -1,-0.2 0.875 116.5 44.8 -84.8 -36.5 -38.2 -8.1 45.8 145 166 A D H <5S+ 0 0 27 -4,-3.1 185,-0.3 1,-0.2 -2,-0.2 0.913 127.1 23.2 -73.4 -44.7 -40.2 -10.9 44.3 146 167 A Y T <5S+ 0 0 17 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.354 132.5 27.9-109.8 10.2 -43.1 -9.1 42.7 147 168 A L T >5S+ 0 0 37 -4,-0.5 4,-1.7 -5,-0.3 -3,-0.2 0.525 124.2 28.3-128.9 -73.2 -41.8 -5.6 42.2 148 169 A I H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.859 112.6 55.0 -58.9 -33.0 -40.2 -8.0 37.4 151 172 A F H < S+ 0 0 114 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.905 110.0 43.0 -67.1 -43.1 -38.6 -4.6 36.8 152 173 A V H >X>S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 3,-1.3 0.911 112.6 53.9 -69.7 -39.6 -35.1 -6.2 36.3 153 174 A A H 3X5S+ 0 0 8 -4,-2.9 4,-0.6 1,-0.3 -2,-0.2 0.894 109.3 49.4 -60.6 -37.5 -36.6 -8.9 34.2 154 175 A G H 3<5S+ 0 0 51 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.552 114.0 45.7 -79.8 -5.5 -38.2 -6.2 32.0 155 176 A T H <45S- 0 0 53 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.780 140.8 -12.3-104.9 -34.6 -34.9 -4.3 31.7 156 177 A C H <5S- 0 0 9 -4,-2.3 -3,-0.2 2,-0.1 -2,-0.1 0.336 84.6-112.9-146.7 -2.0 -32.3 -7.0 30.9 157 178 A G S < - 0 0 42 1,-0.1 3,-2.6 3,-0.1 -28,-0.2 -0.961 14.6-138.2-120.4 126.1 -31.9 -11.9 38.0 160 181 A P G > S+ 0 0 0 0, 0.0 -28,-1.8 0, 0.0 3,-1.2 0.794 101.5 63.8 -45.0 -38.8 -31.8 -9.5 41.1 161 182 A D G 3 S+ 0 0 100 1,-0.3 -31,-0.1 -30,-0.2 -28,-0.1 0.673 105.7 44.1 -65.6 -17.7 -29.6 -11.9 43.0 162 183 A S G < S+ 0 0 51 -3,-2.6 2,-0.4 -32,-0.1 -1,-0.3 -0.071 92.3 94.8-122.7 38.1 -26.8 -11.5 40.5 163 184 A L S < S- 0 0 8 -3,-1.2 -32,-2.1 250,-0.1 250,-0.3 -0.990 76.3-115.4-129.5 133.8 -26.7 -7.8 39.9 164 185 A S B > -N 130 0F 1 248,-2.1 4,-2.1 -2,-0.4 5,-0.3 -0.493 19.0-153.9 -64.8 126.7 -24.5 -5.2 41.6 165 186 A X H > S+ 0 0 0 -36,-3.6 4,-2.6 -2,-0.2 8,-0.2 0.950 95.8 52.2 -65.8 -45.9 -26.9 -2.9 43.4 166 187 A H H 4 S+ 0 0 75 -37,-0.5 7,-0.2 1,-0.2 -1,-0.2 0.932 116.5 36.7 -53.0 -54.5 -24.3 -0.2 43.1 167 188 A H H 4 S+ 0 0 21 246,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.762 119.2 47.8 -75.6 -26.4 -23.9 -0.5 39.4 168 189 A S H < S+ 0 0 33 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.929 124.7 24.5 -81.3 -47.1 -27.5 -1.3 38.5 169 190 A F >X + 0 0 38 -4,-2.6 4,-2.1 -5,-0.3 3,-1.2 -0.687 66.4 158.8-119.6 78.6 -29.2 1.5 40.5 170 191 A P H 3> S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.926 73.1 63.2 -63.3 -45.2 -26.7 4.3 41.0 171 192 A E H 34 S+ 0 0 77 1,-0.2 4,-0.4 2,-0.2 -5,-0.1 0.572 114.7 34.7 -57.1 -10.3 -29.4 6.9 41.6 172 193 A L H <> S+ 0 0 39 -3,-1.2 4,-1.7 -7,-0.2 -1,-0.2 0.679 105.9 63.4-115.7 -31.2 -30.2 4.8 44.7 173 194 A W H X S+ 0 0 47 -4,-2.1 4,-1.7 -8,-0.2 -2,-0.2 0.922 106.8 50.6 -60.6 -39.2 -26.9 3.5 45.9 174 195 A N H >X S+ 0 0 95 -4,-2.1 4,-1.9 1,-0.2 3,-0.8 0.990 104.3 53.7 -59.8 -65.4 -25.9 7.1 46.5 175 196 A L H 3>>S+ 0 0 29 -4,-0.4 5,-1.5 1,-0.3 4,-0.8 0.790 108.2 51.7 -40.8 -39.3 -29.0 8.2 48.5 176 197 A E H 3<5S+ 0 0 43 -4,-1.7 4,-0.5 3,-0.2 -1,-0.3 0.943 106.8 53.2 -66.9 -44.2 -28.4 5.3 50.9 177 198 A K H <<5S+ 0 0 171 -4,-1.7 -2,-0.2 -3,-0.8 -1,-0.2 0.912 126.2 23.6 -54.0 -45.3 -24.8 6.4 51.4 178 199 A R H <5S+ 0 0 70 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.946 137.4 23.8 -83.1 -81.4 -26.0 9.9 52.3 179 200 A F T <5S- 0 0 97 -4,-0.8 -3,-0.2 1,-0.1 2,-0.2 0.733 86.5-148.8 -61.2 -28.3 -29.6 9.9 53.5 180 201 A G S - 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