==== 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 04-FEB-10 3LOV . COMPND 2 MOLECULE: PROTOPORPHYRINOGEN OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EXIGUOBACTERIUM SIBIRICUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 451 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 14.0 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 . 4 0.9 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 . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 26.8 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 3 0 2 2 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 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 3 3 1 2 0 0 1 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 . 2 2 0 1 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 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 0 A G 0 0 102 0, 0.0 28,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.7 53.9 8.2 99.0 2 1 A X - 0 0 99 1,-0.1 28,-0.2 26,-0.1 27,-0.1 -0.120 360.0-133.9 -58.5 133.2 52.5 11.8 98.9 3 2 A S - 0 0 41 26,-3.3 28,-0.2 2,-0.2 -1,-0.1 -0.356 20.2-119.1 -67.6 161.5 54.2 14.3 96.7 4 3 A S S S+ 0 0 101 -2,-0.1 2,-0.1 26,-0.1 -1,-0.1 0.679 86.5 98.7 -70.4 -16.2 55.0 17.8 98.1 5 4 A K - 0 0 91 24,-0.1 26,-1.5 261,-0.0 2,-0.4 -0.385 58.7-153.7 -88.8 155.3 52.7 19.2 95.4 6 5 A R E -a 31 0A 70 24,-0.2 260,-3.0 -2,-0.1 261,-2.3 -0.971 9.6-155.4-135.5 133.3 49.1 20.3 95.8 7 6 A L E -ab 32 267A 0 24,-3.2 26,-2.1 -2,-0.4 2,-0.5 -0.922 11.6-165.1-100.5 128.1 46.1 20.7 93.5 8 7 A V E -ab 33 268A 0 259,-2.9 261,-2.3 -2,-0.5 2,-0.4 -0.982 3.6-160.3-113.9 125.8 43.4 23.1 94.6 9 8 A I E -ab 34 269A 0 24,-3.1 26,-2.4 -2,-0.5 2,-0.6 -0.878 9.5-149.9-102.2 131.5 40.0 22.8 92.8 10 9 A V E +ab 35 270A 4 259,-3.5 261,-2.3 -2,-0.4 262,-0.2 -0.936 61.0 32.2-113.6 118.1 37.9 25.9 93.0 11 10 A G - 0 0 8 24,-3.2 25,-0.2 -2,-0.6 24,-0.1 0.213 61.7-137.8 108.2 128.2 34.0 25.5 93.0 12 11 A G + 0 0 0 28,-0.2 30,-3.3 4,-0.1 31,-0.2 -0.090 63.2 112.2-108.3 34.3 32.0 22.6 94.4 13 12 A G B > S-e 42 0B 15 28,-0.2 4,-2.3 29,-0.2 5,-0.3 -0.083 93.3 -73.2 -82.3-165.0 29.4 22.1 91.7 14 13 A I H > S+ 0 0 14 28,-0.6 4,-2.7 1,-0.2 5,-0.3 0.870 133.4 53.9 -59.3 -37.7 29.3 19.0 89.5 15 14 A T H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 112.9 41.6 -66.2 -45.8 32.5 20.1 87.5 16 15 A G H > S+ 0 0 0 2,-0.2 4,-1.7 255,-0.2 -1,-0.2 0.869 116.7 47.7 -68.3 -39.9 34.6 20.6 90.7 17 16 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.912 114.1 47.4 -71.0 -41.7 33.3 17.4 92.4 18 17 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 5,-0.3 0.893 109.3 55.0 -61.7 -41.0 33.9 15.4 89.2 19 18 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.919 108.1 47.9 -59.6 -39.7 37.3 17.0 89.0 20 19 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.911 110.8 52.3 -69.2 -39.0 38.2 15.7 92.5 21 20 A Y H X S+ 0 0 26 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.921 115.0 40.2 -59.8 -51.4 36.9 12.2 91.7 22 21 A Y H X S+ 0 0 25 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.840 113.2 55.1 -70.6 -34.8 39.0 12.0 88.6 23 22 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.869 101.5 58.4 -65.8 -38.2 42.0 13.7 90.3 24 23 A E H < S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.939 114.7 37.8 -57.5 -38.8 42.0 11.1 93.1 25 24 A R H < S+ 0 0 114 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 115.9 49.2 -81.7 -41.0 42.4 8.3 90.5 26 25 A A H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.792 122.5 30.9 -69.7 -27.2 44.8 10.0 88.1 27 26 A F >< + 0 0 5 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.2 -0.649 58.2 172.4-136.9 75.9 47.3 11.2 90.8 28 27 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.785 85.1 49.0 -54.4 -28.3 47.5 9.0 93.8 29 28 A D T 3 S+ 0 0 84 -27,-0.1 -26,-3.3 -28,-0.1 2,-0.4 0.451 91.1 97.9 -95.3 -1.7 50.4 11.0 95.2 30 29 A L S < S- 0 0 0 -3,-1.7 2,-0.2 -7,-0.2 -24,-0.2 -0.765 70.8-129.0 -96.3 132.7 48.9 14.5 94.8 31 30 A N E -a 6 0A 36 -26,-1.5 -24,-3.2 -2,-0.4 2,-0.4 -0.554 25.7-157.7 -74.1 137.4 47.2 16.4 97.6 32 31 A I E +a 7 0A 5 203,-0.3 205,-2.6 -2,-0.2 2,-0.4 -0.979 15.7 174.8-130.4 119.5 43.6 17.7 96.7 33 32 A T E -ac 8 237A 2 -26,-2.1 -24,-3.1 -2,-0.4 2,-0.5 -0.984 13.0-158.1-121.1 138.5 41.7 20.5 98.3 34 33 A L E -ac 9 238A 0 203,-3.2 205,-3.6 -2,-0.4 2,-0.6 -0.979 3.3-158.7-120.3 121.1 38.4 21.8 97.1 35 34 A L E -ac 10 239A 1 -26,-2.4 -24,-3.2 -2,-0.5 2,-0.4 -0.868 9.7-176.7 -98.7 120.1 37.2 25.4 97.9 36 35 A E - 0 0 32 203,-2.7 206,-3.0 -2,-0.6 5,-0.0 -0.975 18.5-149.9-116.4 129.7 33.4 26.0 97.7 37 36 A A S S+ 0 0 51 -2,-0.4 -1,-0.1 204,-0.2 2,-0.1 0.786 72.5 50.5 -67.6 -32.3 32.2 29.6 98.4 38 37 A G S S- 0 0 16 2,-0.3 203,-3.0 204,-0.1 204,-0.2 -0.169 96.7 -87.9-104.6-166.7 28.7 28.7 99.8 39 38 A E S S+ 0 0 128 201,-0.2 2,-0.3 202,-0.1 201,-0.1 0.433 101.0 33.2 -81.1 -2.7 27.1 26.5 102.4 40 39 A R S S- 0 0 71 3,-0.0 -2,-0.3 0, 0.0 3,-0.3 -0.972 71.9-117.5-152.3 156.0 26.7 23.4 100.2 41 40 A L S S+ 0 0 14 -2,-0.3 -28,-0.2 1,-0.1 186,-0.1 -0.528 80.3 69.5 -86.5 162.5 28.1 21.4 97.3 42 41 A G B > -e 13 0B 1 -30,-3.3 3,-2.3 -2,-0.2 -28,-0.6 -0.003 66.2-153.9 121.1 -29.3 26.2 21.0 94.1 43 42 A G T 3 S- 0 0 42 -3,-0.3 -30,-0.0 1,-0.3 -32,-0.0 -0.390 81.7 -3.6 62.0-128.4 26.2 24.4 92.5 44 43 A K T 3 S+ 0 0 81 -2,-0.1 2,-0.5 352,-0.1 -1,-0.3 0.637 116.1 94.0 -67.4 -19.1 23.1 24.6 90.3 45 44 A V < + 0 0 6 -3,-2.3 2,-0.3 13,-0.2 15,-0.1 -0.715 48.6 144.8 -80.4 121.6 22.1 20.9 91.0 46 45 A A - 0 0 16 -2,-0.5 11,-2.8 13,-0.3 12,-0.9 -0.950 29.6-156.6-154.8 141.3 19.6 20.8 93.9 47 46 A T E -F 56 0C 8 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.980 15.4-136.4-129.1 124.9 16.6 18.5 94.6 48 47 A Y E +F 55 0C 34 7,-3.1 7,-2.6 -2,-0.4 2,-0.2 -0.697 31.0 171.3 -74.8 119.0 13.6 19.2 96.8 49 48 A R + 0 0 83 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.628 26.5 113.8-135.1 67.7 13.1 15.9 98.7 50 49 A E S > S+ 0 0 117 -2,-0.2 3,-2.1 1,-0.1 -2,-0.0 -0.941 71.4 18.4-133.3 158.2 10.4 16.3 101.5 51 50 A D T 3 S- 0 0 123 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.766 131.1 -59.2 53.6 35.6 7.0 14.7 101.8 52 51 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.391 106.8 130.1 74.3 -2.0 7.7 11.9 99.4 53 52 A F < - 0 0 9 -3,-2.1 2,-0.3 288,-0.1 -1,-0.3 -0.558 39.2-171.7 -79.6 145.2 8.4 14.5 96.6 54 53 A T + 0 0 18 286,-2.7 2,-0.5 -2,-0.2 -5,-0.2 -0.821 24.3 162.2-130.6 93.7 11.6 14.4 94.4 55 54 A I E -F 48 0C 2 -7,-2.6 -7,-3.1 -2,-0.3 2,-0.2 -0.960 34.6-129.2-123.2 124.4 11.5 17.6 92.5 56 55 A E E -F 47 0C 13 -2,-0.5 -9,-0.2 -9,-0.2 4,-0.1 -0.521 14.7-169.8 -78.1 134.4 14.5 19.2 90.7 57 56 A R S S+ 0 0 87 -11,-2.8 242,-0.2 -2,-0.2 -10,-0.1 0.728 80.2 9.3 -90.5 -29.6 15.3 22.8 91.4 58 57 A G S S+ 0 0 6 -12,-0.9 -13,-0.2 1,-0.5 -2,-0.1 0.147 127.6 7.7-115.0-126.7 17.9 23.1 88.6 59 58 A P - 0 0 39 0, 0.0 -1,-0.5 0, 0.0 -13,-0.3 -0.342 57.7-166.7 -53.3 137.6 18.8 20.6 85.9 60 59 A D - 0 0 15 1,-0.2 2,-0.3 -3,-0.1 162,-0.1 0.656 61.8 -18.4-100.5 -16.1 16.2 17.8 86.0 61 60 A S - 0 0 16 156,-0.1 2,-0.3 161,-0.0 373,-0.3 -0.913 59.0-119.9-169.6-178.1 18.1 15.3 83.7 62 61 A Y E -G 216 0D 7 154,-1.8 154,-2.7 -2,-0.3 2,-0.4 -0.967 39.0 -88.3-144.1 156.5 20.8 14.8 81.1 63 62 A V E > -G 215 0D 58 -2,-0.3 3,-1.9 152,-0.2 152,-0.2 -0.552 32.2-146.6 -68.8 116.5 21.0 13.5 77.5 64 63 A A T 3 S+ 0 0 24 150,-2.3 6,-0.2 -2,-0.4 -1,-0.1 0.808 94.2 67.2 -57.6 -31.8 21.5 9.7 77.7 65 64 A R T 3 S+ 0 0 107 149,-0.4 2,-1.9 1,-0.2 -1,-0.3 0.767 84.4 73.9 -63.5 -25.2 23.7 9.6 74.6 66 65 A K S X S+ 0 0 84 -3,-1.9 3,-1.4 1,-0.2 4,-0.4 -0.544 70.1 174.4 -88.0 72.7 26.3 11.6 76.5 67 66 A H T 3> + 0 0 117 -2,-1.9 4,-3.0 1,-0.3 5,-0.2 0.473 53.2 89.2 -70.9 -6.7 27.2 8.4 78.4 68 67 A I H 3> S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.896 93.1 46.6 -55.7 -35.6 30.2 9.8 80.4 69 68 A L H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.867 110.4 52.2 -76.9 -37.5 27.7 10.8 83.1 70 69 A T H > S+ 0 0 26 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.943 110.6 49.5 -56.8 -45.9 26.0 7.4 83.0 71 70 A D H X S+ 0 0 87 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.900 111.4 47.3 -63.2 -43.4 29.4 5.8 83.4 72 71 A L H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.920 111.9 51.6 -60.4 -45.5 30.3 8.0 86.4 73 72 A I H <>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 6,-0.5 0.893 113.4 44.2 -62.9 -38.9 26.9 7.3 87.9 74 73 A E H ><5S+ 0 0 114 -4,-2.4 3,-2.3 4,-0.2 5,-0.3 0.965 109.7 54.9 -69.7 -48.1 27.5 3.5 87.5 75 74 A A H 3<5S+ 0 0 69 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.834 109.6 47.6 -54.0 -37.5 31.1 3.6 88.8 76 75 A I T 3<5S- 0 0 11 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.320 123.4-103.2 -90.6 7.2 29.9 5.3 92.0 77 76 A G T < 5S+ 0 0 40 -3,-2.3 -3,-0.2 -5,-0.1 3,-0.2 0.737 91.1 110.9 87.0 24.2 27.1 2.8 92.5 78 77 A L > < + 0 0 8 -5,-3.1 3,-2.1 -6,-0.2 -4,-0.2 0.374 39.0 106.2-110.6 5.9 24.0 4.8 91.5 79 78 A G G > S+ 0 0 12 -6,-0.5 3,-1.8 -5,-0.3 -1,-0.1 0.842 72.6 63.4 -51.4 -40.0 23.2 2.9 88.3 80 79 A E G 3 S+ 0 0 162 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.664 99.1 56.0 -64.2 -15.0 20.2 1.1 89.9 81 80 A K G < S+ 0 0 64 -3,-2.1 138,-2.9 2,-0.1 -1,-0.3 0.390 76.9 124.3 -95.8 1.2 18.5 4.6 90.4 82 81 A L E < +H 218 0D 43 -3,-1.8 2,-0.3 -4,-0.2 136,-0.2 -0.423 35.9 178.5 -68.6 132.0 18.6 5.6 86.7 83 82 A V E -H 217 0D 42 134,-2.2 134,-2.1 -2,-0.1 2,-0.3 -0.931 18.6-136.9-129.9 153.8 15.2 6.5 85.3 84 83 A R E -H 216 0D 143 -2,-0.3 254,-0.3 132,-0.2 132,-0.2 -0.791 27.2-103.1-105.6 155.3 14.2 7.6 81.9 85 84 A N - 0 0 13 130,-1.4 2,-0.3 -2,-0.3 252,-0.2 -0.494 31.2-120.8 -73.8 144.6 11.7 10.3 81.0 86 85 A N - 0 0 47 250,-2.7 2,-0.4 -2,-0.2 127,-0.1 -0.663 22.4-151.7 -79.8 141.0 8.2 9.5 79.8 87 86 A T + 0 0 91 -2,-0.3 126,-0.0 125,-0.2 2,-0.0 -0.906 37.5 129.3-109.0 141.6 7.2 10.8 76.4 88 87 A S - 0 0 82 -2,-0.4 2,-0.4 0, 0.0 226,-0.1 -0.002 68.7 -20.2-147.8 -91.8 3.5 11.6 75.5 89 88 A Q - 0 0 53 11,-0.0 226,-1.4 -2,-0.0 227,-0.9 -0.992 53.4-171.2-130.4 129.9 2.5 15.0 73.9 90 89 A A E -i 316 0E 30 -2,-0.4 11,-2.6 224,-0.2 2,-0.3 -0.831 11.1-156.6-112.5 162.0 4.4 18.3 73.9 91 90 A F E -iJ 317 100E 26 225,-1.7 227,-2.0 -2,-0.3 2,-0.4 -0.821 17.2-136.5-134.7 158.4 3.1 21.7 72.8 92 91 A I E -iJ 318 99E 0 7,-2.8 7,-3.3 -2,-0.3 2,-0.6 -0.997 20.9-153.3-112.7 128.8 4.1 25.1 71.5 93 92 A L E +iJ 319 98E 3 225,-2.8 227,-3.3 -2,-0.4 5,-0.2 -0.923 27.4 155.1 -97.6 118.7 2.3 28.0 73.0 94 93 A D E > - J 0 97E 15 3,-2.3 3,-2.2 -2,-0.6 71,-0.0 -0.662 63.1 -76.9-123.8-167.0 2.1 31.1 70.8 95 94 A T T 3 S+ 0 0 107 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.817 129.7 57.9 -64.7 -26.6 -0.2 34.1 70.5 96 95 A G T 3 S- 0 0 62 1,-0.2 -1,-0.3 25,-0.1 2,-0.2 0.269 117.4-104.8 -83.8 10.1 -2.7 31.8 68.8 97 96 A G E < -J 94 0E 25 -3,-2.2 -3,-2.3 2,-0.1 2,-0.7 -0.620 60.6 -20.5 106.3-163.5 -2.9 29.3 71.7 98 97 A L E -J 93 0E 67 -5,-0.2 -5,-0.2 -2,-0.2 -3,-0.0 -0.805 59.0-176.8 -94.6 112.3 -1.5 25.9 72.6 99 98 A H E -J 92 0E 15 -7,-3.3 -7,-2.8 -2,-0.7 2,-0.1 -0.900 28.0-118.4-108.0 137.3 -0.5 23.8 69.5 100 99 A P E -J 91 0E 62 0, 0.0 -9,-0.3 0, 0.0 20,-0.2 -0.451 45.0 -93.4 -67.9 146.1 0.7 20.2 69.6 101 100 A I - 0 0 43 -11,-2.6 -11,-0.1 1,-0.1 65,-0.0 -0.430 56.2-100.6 -56.6 127.3 4.2 19.9 68.3 102 101 A P - 0 0 13 0, 0.0 3,-0.2 0, 0.0 6,-0.2 -0.223 34.6-133.3 -55.0 140.0 3.6 19.0 64.6 103 102 A K S S+ 0 0 120 12,-0.4 16,-0.2 1,-0.2 15,-0.1 -0.357 82.5 51.6 -79.4 172.5 4.0 15.3 63.7 104 103 A G S S+ 0 0 15 1,-0.2 7,-2.5 11,-0.1 8,-2.2 0.839 89.2 106.1 69.8 40.5 6.0 14.2 60.7 105 104 A A E -O 110 0F 33 5,-0.3 2,-0.5 -3,-0.2 -1,-0.2 -0.981 59.3-144.5-149.0 146.4 9.1 16.1 61.6 106 105 A V E > S-O 109 0F 18 3,-3.0 3,-1.7 -2,-0.3 103,-0.1 -0.978 93.9 -16.7-115.0 115.2 12.7 15.6 62.9 107 106 A X T 3 S- 0 0 70 -2,-0.5 -1,-0.1 1,-0.3 64,-0.1 0.875 130.5 -53.4 56.1 39.9 13.8 18.5 65.2 108 107 A G T 3 S+ 0 0 4 1,-0.2 -1,-0.3 -6,-0.2 59,-0.2 0.384 114.1 119.9 79.7 -5.2 11.0 20.6 63.7 109 108 A I E < -O 106 0F 0 -3,-1.7 -3,-3.0 57,-0.1 -1,-0.2 -0.859 69.3-116.6 -95.2 121.2 12.1 19.9 60.1 110 109 A P E +O 105 0F 0 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.294 41.6 163.3 -60.2 131.0 9.3 18.2 58.1 111 110 A T S S+ 0 0 6 -7,-2.5 2,-0.4 1,-0.2 -6,-0.2 0.490 77.8 44.2-118.2 -16.3 10.0 14.7 56.8 112 111 A D > - 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0 0 48 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.200 34.8-100.5 -59.5 143.4 15.5 23.5 47.0 138 137 A S > - 0 0 66 1,-0.1 3,-1.4 -5,-0.1 -5,-0.0 -0.367 15.6-136.7 -65.4 139.9 17.3 26.3 45.2 139 138 A D T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.695 102.1 70.9 -66.7 -22.3 20.4 25.4 43.2 140 139 A S T 3 S+ 0 0 85 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.650 73.5 107.7 -71.1 -17.3 22.0 28.5 44.7 141 140 A L < - 0 0 42 -3,-1.4 2,-0.4 15,-0.1 16,-0.0 -0.336 52.7-164.2 -57.9 144.3 22.2 26.8 48.2 142 141 A R - 0 0 181 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.999 25.4-114.3-131.4 135.3 25.7 25.8 49.3 143 142 A I - 0 0 55 -2,-0.4 2,-0.3 1,-0.1 49,-0.0 -0.478 45.0-110.3 -58.8 128.2 26.8 23.4 52.0 144 143 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.517 32.6-175.0 -70.5 126.7 28.6 25.6 54.6 145 144 A E S S+ 0 0 174 -2,-0.3 2,-0.3 2,-0.1 3,-0.0 0.855 75.9 43.6 -80.2 -46.2 32.3 24.9 54.7 146 145 A Q S S- 0 0 144 1,-0.1 -1,-0.1 39,-0.0 39,-0.0 -0.735 106.8 -89.1 -95.5 152.3 33.0 27.2 57.7 147 146 A D + 0 0 40 -2,-0.3 -1,-0.1 37,-0.1 -2,-0.1 -0.260 49.4 177.1 -57.3 139.3 30.7 27.3 60.7 148 147 A I - 0 0 40 -4,-0.1 36,-1.3 -3,-0.0 37,-0.3 -0.933 40.1 -78.4-136.0 163.7 27.7 29.8 60.5 149 148 A P B >> -P 183 0G 25 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.335 39.8-119.3 -62.1 150.1 24.9 30.5 62.9 150 149 A L H 3> S+ 0 0 0 32,-2.0 4,-3.6 29,-0.4 30,-0.2 0.823 113.9 52.6 -56.8 -40.7 22.0 27.9 62.8 151 150 A G H 3> S+ 0 0 0 28,-1.5 4,-2.1 31,-0.3 -1,-0.3 0.803 108.1 49.6 -69.4 -36.0 19.5 30.6 61.8 152 151 A E H <4 S+ 0 0 108 -3,-0.5 -2,-0.2 27,-0.2 -1,-0.2 0.861 116.3 43.9 -68.1 -36.9 21.7 31.7 58.9 153 152 A Y H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.1 -2,-0.2 0.929 121.8 37.3 -70.5 -48.6 21.9 28.0 57.8 154 153 A L H >X S+ 0 0 0 -4,-3.6 4,-2.4 -5,-0.2 3,-0.8 0.843 103.1 66.3 -75.8 -38.0 18.3 27.2 58.3 155 154 A R H 3X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.3 -1,-0.1 0.902 101.6 47.3 -61.4 -44.7 16.4 30.3 57.2 156 155 A P H 34 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.786 119.3 42.2 -65.3 -22.9 17.3 30.1 53.5 157 156 A R H <4 S+ 0 0 18 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.760 132.4 17.5 -89.9 -32.3 16.4 26.4 53.4 158 157 A L H < S- 0 0 1 -4,-2.4 4,-0.4 1,-0.1 -3,-0.2 0.484 104.4-116.1-121.4 -12.0 13.2 26.4 55.5 159 158 A G X - 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0 0 38 -106,-2.1 2,-0.4 -2,-0.2 -106,-0.4 -0.833 24.3-162.3 -97.2 97.0 25.4 32.2 75.0 400 412 A Y + 0 0 54 -2,-0.9 -217,-0.3 -108,-0.1 2,-0.2 -0.710 15.7 178.7 -76.1 132.2 27.8 30.2 72.9 401 413 A T > - 0 0 43 -2,-0.4 3,-1.7 -219,-0.2 -219,-0.2 -0.673 42.3 -49.5-127.8 177.9 28.1 31.6 69.4 402 414 A V T 3 S+ 0 0 46 -221,-1.1 -1,-0.1 1,-0.2 -220,-0.0 -0.260 126.0 21.3 -53.0 133.7 30.1 30.8 66.2 403 415 A G T 3> S+ 0 0 29 -255,-0.1 4,-2.4 -3,-0.1 -1,-0.2 0.411 82.0 129.4 84.4 5.6 33.8 30.3 67.1 404 416 A H H <> + 0 0 14 -3,-1.7 4,-2.7 2,-0.2 5,-0.2 0.926 69.2 51.9 -54.9 -51.8 33.3 29.6 70.8 405 417 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 112.7 46.0 -59.5 -41.8 35.5 26.5 71.0 406 418 A D H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 111.5 52.5 -66.8 -37.5 38.4 28.3 69.3 407 419 A R H X S+ 0 0 80 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.910 108.2 50.2 -62.9 -41.3 38.0 31.2 71.6 408 420 A I H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.895 107.6 54.1 -66.5 -39.2 38.1 29.0 74.6 409 421 A Q H X S+ 0 0 107 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.929 110.4 47.4 -55.8 -46.4 41.3 27.3 73.3 410 422 A R H X S+ 0 0 73 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.928 109.4 52.6 -64.8 -42.2 42.8 30.8 73.1 411 423 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.960 110.5 49.1 -53.6 -48.8 41.6 31.7 76.6 412 424 A R H X S+ 0 0 35 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.859 110.2 50.2 -62.7 -37.1 43.3 28.5 78.0 413 425 A E H X S+ 0 0 108 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.865 110.8 49.6 -68.3 -40.1 46.6 29.2 76.2 414 426 A E H X S+ 0 0 38 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.917 112.2 47.4 -64.3 -47.2 46.6 32.7 77.6 415 427 A V H X S+ 0 0 1 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.933 113.0 48.7 -60.5 -42.8 46.0 31.4 81.1 416 428 A L H < S+ 0 0 65 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.919 113.5 47.1 -66.9 -33.3 48.7 28.8 80.8 417 429 A A H < S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 122.8 33.4 -75.0 -37.6 51.2 31.4 79.5 418 430 A Q H < S+ 0 0 75 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.783 135.8 24.1 -87.3 -29.8 50.4 34.0 82.2 419 431 A Y S >< S- 0 0 5 -4,-3.3 3,-1.9 -5,-0.3 -1,-0.2 -0.597 78.9-157.8-135.7 75.7 49.7 31.5 85.0 420 432 A P T 3 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.260 81.7 29.9 -55.6 138.3 51.4 28.1 84.4 421 433 A G T 3 S+ 0 0 11 1,-0.2 -153,-2.7 -154,-0.1 2,-0.5 0.426 90.8 116.3 87.0 3.5 49.5 25.4 86.3 422 434 A I E < -d 268 0A 1 -3,-1.9 2,-0.3 -7,-0.2 -1,-0.2 -0.923 40.6-179.8-109.8 127.2 46.1 27.1 86.2 423 435 A Y E -d 269 0A 19 -155,-3.3 -153,-2.8 -2,-0.5 2,-0.4 -0.849 15.2-142.6-125.5 153.2 43.4 25.2 84.3 424 436 A L E +d 270 0A 2 -2,-0.3 2,-0.3 -155,-0.2 -153,-0.2 -0.964 22.5 162.8-120.4 142.0 39.7 26.0 83.6 425 437 A A + 0 0 0 -155,-2.3 2,-0.3 -2,-0.4 3,-0.1 -0.986 25.7 69.8-155.0 155.4 36.6 23.7 83.5 426 438 A G S >> S- 0 0 2 -2,-0.3 3,-1.8 10,-0.2 4,-1.0 -0.788 88.3 -36.6 127.7-170.9 32.9 24.0 83.6 427 439 A L T 34 S+ 0 0 41 1,-0.3 4,-0.3 -2,-0.3 -1,-0.1 0.637 121.0 63.0 -70.8 -15.5 29.9 25.2 81.7 428 440 A A T 34 S+ 0 0 4 -3,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.714 111.2 38.1 -71.4 -23.5 31.5 28.3 80.2 429 441 A Y T <4 S+ 0 0 4 -3,-1.8 -2,-0.2 2,-0.2 -21,-0.1 0.956 119.8 14.2-101.0 -65.2 33.9 26.2 78.3 430 442 A D S < S- 0 0 64 -4,-1.0 -3,-0.1 1,-0.4 -2,-0.1 -0.159 121.1 -36.8-119.4 34.5 33.1 22.8 76.6 431 443 A G - 0 0 13 -4,-0.3 -1,-0.4 -5,-0.1 -2,-0.2 -0.001 52.8-115.4 114.8 139.9 29.3 22.6 76.6 432 444 A V S S+ 0 0 40 -3,-0.1 -5,-0.1 -4,-0.1 -1,-0.1 0.742 79.3 94.8 -75.6 -26.5 26.6 23.8 79.0 433 445 A G S > S- 0 0 18 1,-0.1 4,-2.3 -6,-0.1 3,-0.4 -0.169 85.2-106.5 -79.7 162.7 25.1 20.4 80.0 434 446 A L H > S+ 0 0 20 -373,-0.3 4,-2.3 1,-0.2 5,-0.1 0.887 120.3 47.0 -52.2 -45.0 25.9 18.1 83.0 435 447 A P H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.839 110.1 53.1 -67.6 -33.8 27.8 15.6 80.8 436 448 A D H > S+ 0 0 35 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.857 110.0 48.4 -65.3 -42.5 29.8 18.3 79.1 437 449 A C H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.903 109.8 51.7 -64.9 -41.6 30.9 19.6 82.4 438 450 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.965 112.9 45.0 -60.8 -48.3 31.9 16.2 83.6 439 451 A A H X S+ 0 0 32 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.817 109.4 56.7 -57.8 -38.6 33.9 15.7 80.4 440 452 A S H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.967 110.1 44.7 -60.8 -50.6 35.3 19.2 80.9 441 453 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.941 114.5 48.9 -54.6 -52.8 36.6 18.2 84.4 442 454 A K H X S+ 0 0 71 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.930 112.0 47.2 -59.4 -48.4 38.0 14.8 83.1 443 455 A T H X S+ 0 0 68 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.897 113.9 47.7 -62.8 -38.3 39.8 16.3 80.2 444 456 A X H X S+ 0 0 21 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.950 112.3 48.5 -71.5 -40.7 41.4 19.1 82.4 445 457 A I H X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 3,-0.5 0.956 111.7 51.6 -56.6 -48.8 42.4 16.6 85.1 446 458 A E H X S+ 0 0 95 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.852 106.1 53.1 -51.6 -44.7 43.9 14.4 82.4 447 459 A S H X S+ 0 0 42 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.800 104.4 54.7 -72.9 -25.3 45.9 17.3 80.9 448 460 A I H < S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.897 102.4 61.4 -65.7 -36.6 47.4 18.0 84.3 449 461 A E H >< S+ 0 0 40 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.808 100.8 50.4 -57.8 -37.2 48.5 14.3 84.2 450 462 A L H 3< S+ 0 0 155 -4,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.866 104.6 61.1 -65.0 -37.9 50.6 15.0 81.1 451 463 A E T 3< 0 0 124 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 -0.157 360.0 360.0 -88.1 38.1 52.2 17.9 83.0 452 464 A Q < 0 0 117 -3,-0.8 -3,-0.1 -2,-0.4 -2,-0.0 -0.628 360.0 360.0-169.6 360.0 53.6 15.6 85.8