==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JAN-00 1DXH . COMPND 2 MOLECULE: ORNITHINE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.SAINZ,J.VICAT,R.KAHN,E.DUEE,C.TRICOT,V.STALON,O.DIDEBERG . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 0 1 0 1 1 1 1 2 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 3 4 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A A 0 0 125 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.5 54.9 66.6 93.6 2 2 A F + 0 0 96 2,-0.1 2,-0.3 1,-0.0 0, 0.0 -0.541 360.0 158.0 -64.1 125.6 55.1 63.9 96.2 3 3 A N - 0 0 75 -2,-0.3 328,-0.1 2,-0.1 327,-0.1 -0.959 52.7-150.1-150.5 167.5 58.9 63.1 96.1 4 4 A M > + 0 0 5 326,-0.5 3,-1.4 -2,-0.3 -2,-0.1 -0.217 41.3 164.5-132.1 39.2 61.9 61.5 97.8 5 5 A H T 3 + 0 0 70 1,-0.2 326,-0.2 327,-0.1 327,-0.2 -0.319 66.1 9.0 -60.8 138.4 64.5 63.8 96.2 6 6 A N T 3 S+ 0 0 122 325,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.675 95.3 145.0 65.1 17.2 68.0 63.8 97.8 7 7 A R < - 0 0 73 -3,-1.4 -1,-0.2 323,-0.1 2,-0.1 -0.673 41.7-138.5 -89.8 142.6 67.0 61.0 100.1 8 8 A N - 0 0 52 -2,-0.3 2,-0.4 116,-0.1 118,-0.2 -0.395 4.2-141.7 -89.1 169.7 69.4 58.2 101.2 9 9 A L B +a 126 0A 4 116,-2.3 118,-2.4 -2,-0.1 127,-0.1 -0.880 43.7 140.7-134.4 96.6 68.6 54.6 101.5 10 10 A L S S- 0 0 32 -2,-0.4 -1,-0.1 116,-0.2 123,-0.1 0.697 81.4 -26.8-111.6 -26.9 70.3 53.2 104.6 11 11 A S S S- 0 0 11 123,-0.1 123,-0.2 124,-0.1 -2,-0.1 0.467 70.1-115.1-162.6 -18.7 67.9 50.7 106.2 12 12 A L S > S+ 0 0 4 121,-0.1 3,-1.6 162,-0.0 8,-0.1 0.264 84.6 115.8 85.3 -8.0 64.3 51.5 105.4 13 13 A M T 3 S+ 0 0 26 1,-0.3 -1,-0.0 3,-0.0 0, 0.0 0.797 79.2 41.5 -61.8 -30.2 63.8 52.2 109.1 14 14 A H T 3 S+ 0 0 155 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 -0.068 92.6 101.5-108.8 28.3 62.9 55.8 108.4 15 15 A H < - 0 0 11 -3,-1.6 2,-0.0 -4,-0.0 -6,-0.0 -0.982 66.2-137.5-113.9 123.4 60.8 55.2 105.3 16 16 A S > - 0 0 47 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.214 26.4-103.0 -73.1 168.9 57.0 55.4 105.8 17 17 A T H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.913 122.9 52.1 -60.8 -39.5 54.5 53.0 104.4 18 18 A R H > S+ 0 0 179 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 108.6 51.1 -66.4 -35.5 53.5 55.6 101.8 19 19 A E H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 110.7 47.4 -67.9 -43.9 57.1 56.1 100.7 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.826 111.6 50.4 -65.5 -37.1 57.7 52.3 100.3 21 21 A R H X S+ 0 0 90 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.898 108.3 53.3 -68.6 -37.0 54.5 51.9 98.3 22 22 A Y H X S+ 0 0 58 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.962 110.2 47.7 -60.7 -50.6 55.5 54.8 96.1 23 23 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.828 111.0 51.2 -58.9 -34.4 58.9 53.0 95.4 24 24 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.876 112.4 46.9 -71.7 -36.3 57.0 49.7 94.7 25 25 A D H X S+ 0 0 50 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.937 111.6 49.4 -69.0 -45.7 54.8 51.5 92.3 26 26 A L H X S+ 0 0 31 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.886 109.8 52.3 -62.0 -38.2 57.7 53.3 90.6 27 27 A S H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.925 110.0 48.5 -61.7 -49.5 59.6 49.9 90.2 28 28 A R H X S+ 0 0 69 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.912 115.5 44.7 -56.2 -47.3 56.6 48.3 88.6 29 29 A D H X S+ 0 0 70 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.856 111.9 49.8 -70.7 -37.2 56.2 51.2 86.2 30 30 A L H X S+ 0 0 22 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.821 111.3 52.0 -68.5 -31.5 59.9 51.5 85.3 31 31 A K H X S+ 0 0 20 -4,-2.0 4,-2.0 -5,-0.2 3,-0.3 0.946 111.1 45.4 -67.3 -49.0 59.9 47.8 84.7 32 32 A R H X S+ 0 0 155 -4,-2.2 4,-1.9 1,-0.2 6,-0.2 0.875 110.9 56.1 -62.6 -36.1 56.9 48.0 82.3 33 33 A A H X>S+ 0 0 16 -4,-2.0 5,-1.8 2,-0.2 6,-1.7 0.799 106.3 48.5 -68.0 -33.6 58.5 51.0 80.6 34 34 A K H <5S+ 0 0 79 -4,-1.4 3,-0.3 -3,-0.3 -2,-0.2 0.952 115.4 43.2 -71.8 -48.6 61.7 49.2 79.8 35 35 A Y H <5S+ 0 0 155 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.812 117.2 48.0 -63.6 -31.7 60.0 46.2 78.3 36 36 A T H <5S- 0 0 100 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.689 110.5-121.4 -83.3 -17.9 57.5 48.5 76.5 37 37 A G T <5S+ 0 0 66 -4,-1.0 -3,-0.2 -3,-0.3 -4,-0.1 0.680 83.0 112.6 83.8 19.4 60.2 50.7 75.1 38 38 A T < + 0 0 89 -5,-1.8 -4,-0.2 -6,-0.2 -5,-0.1 0.441 38.9 127.1-102.2 0.9 58.8 53.9 76.8 39 39 A E - 0 0 42 -6,-1.7 2,-0.4 -7,-0.1 -9,-0.0 -0.275 41.8-161.2 -60.1 138.4 61.6 54.4 79.2 40 40 A Q - 0 0 137 30,-0.0 2,-0.5 2,-0.0 -2,-0.1 -0.947 20.7-116.0-122.9 144.3 63.2 57.8 79.2 41 41 A Q + 0 0 91 -2,-0.4 29,-0.1 1,-0.1 30,-0.1 -0.678 38.5 161.9 -85.3 122.3 66.6 58.7 80.6 42 42 A H + 0 0 45 -2,-0.5 292,-0.7 1,-0.1 29,-0.1 0.149 68.8 62.9-122.3 15.1 66.5 61.1 83.5 43 43 A L > + 0 0 0 27,-2.5 3,-1.8 290,-0.1 30,-0.2 0.021 67.6 150.7-123.7 21.5 70.0 60.5 84.9 44 44 A K T 3 S+ 0 0 115 1,-0.3 28,-0.2 26,-0.2 27,-0.1 -0.330 72.5 13.1 -57.4 134.2 71.9 61.7 81.9 45 45 A R T 3 S+ 0 0 203 26,-1.3 2,-0.4 1,-0.3 -1,-0.3 0.742 93.5 133.4 70.8 22.0 75.2 63.1 82.9 46 46 A K < - 0 0 63 -3,-1.8 27,-3.0 25,-0.3 2,-0.5 -0.887 42.1-154.5-102.7 140.2 75.0 61.7 86.5 47 47 A N E -b 73 0A 62 -2,-0.4 55,-2.6 25,-0.2 56,-0.6 -0.973 10.5-168.0-116.3 128.0 78.1 60.0 87.7 48 48 A I E -bc 74 103A 2 25,-2.8 27,-2.2 -2,-0.5 2,-0.4 -0.972 12.7-145.7-124.3 130.0 77.8 57.4 90.4 49 49 A A E -bc 75 104A 0 54,-1.7 56,-2.8 -2,-0.4 2,-0.6 -0.789 10.0-161.2 -91.7 128.8 80.5 55.8 92.6 50 50 A L E -bc 76 105A 0 25,-3.2 27,-3.7 -2,-0.4 2,-0.5 -0.946 7.1-168.9-113.6 106.2 79.9 52.1 93.5 51 51 A I E -bc 77 106A 2 54,-2.6 56,-1.4 -2,-0.6 2,-0.5 -0.855 3.8-175.0 -97.3 123.1 82.1 51.2 96.4 52 52 A F E + c 0 107A 0 25,-2.7 30,-0.2 -2,-0.5 56,-0.2 -0.933 15.1 178.1-123.6 106.7 82.2 47.4 97.1 53 53 A E S S+ 0 0 27 54,-2.9 2,-0.4 -2,-0.5 55,-0.2 0.664 85.7 29.0 -75.2 -20.9 84.1 46.4 100.2 54 54 A K S S- 0 0 93 53,-0.7 -1,-0.3 -3,-0.1 53,-0.0 -0.989 101.6-101.5-142.8 130.1 83.1 42.9 99.4 55 55 A T + 0 0 71 -2,-0.4 2,-0.1 -3,-0.1 -2,-0.0 -0.249 42.7 168.3 -51.8 132.9 82.4 41.6 95.9 56 56 A S > - 0 0 23 1,-0.1 4,-3.0 2,-0.0 3,-0.3 -0.593 9.8-178.8-153.2 81.3 78.7 41.3 95.1 57 57 A T H > S+ 0 0 86 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.851 81.1 51.7 -52.2 -43.6 78.2 40.7 91.4 58 58 A R H > S+ 0 0 106 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.887 115.4 40.0 -66.2 -39.8 74.3 40.6 91.6 59 59 A T H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.914 117.9 49.9 -74.5 -39.6 74.1 43.9 93.4 60 60 A R H X S+ 0 0 77 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.938 112.2 45.4 -61.8 -51.1 76.8 45.5 91.3 61 61 A C H X S+ 0 0 62 -4,-3.1 4,-2.7 -5,-0.2 5,-0.3 0.867 111.0 55.2 -62.2 -34.9 75.3 44.4 88.0 62 62 A A H X S+ 0 0 8 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.895 111.9 42.9 -64.9 -42.5 71.9 45.6 89.2 63 63 A F H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.870 114.7 50.3 -69.7 -42.6 73.2 49.0 90.0 64 64 A E H X S+ 0 0 26 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.975 113.0 44.1 -61.9 -52.8 75.3 49.2 86.8 65 65 A V H X S+ 0 0 57 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.911 113.9 50.5 -59.1 -43.8 72.5 48.2 84.5 66 66 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.932 113.4 45.5 -58.3 -50.9 69.9 50.5 86.2 67 67 A A H <>S+ 0 0 1 -4,-2.2 5,-2.8 1,-0.2 4,-0.2 0.890 113.8 48.6 -58.9 -47.8 72.3 53.5 86.0 68 68 A Y H ><5S+ 0 0 108 -4,-2.6 3,-1.6 3,-0.2 -1,-0.2 0.909 107.8 54.4 -62.5 -44.1 73.2 52.8 82.4 69 69 A D H 3<5S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.850 111.1 47.2 -56.5 -38.3 69.5 52.5 81.4 70 70 A Q T 3<5S- 0 0 1 -4,-1.5 -27,-2.5 -5,-0.2 -1,-0.3 0.391 122.6-105.6 -86.3 1.9 68.9 55.9 82.8 71 71 A G T < 5S+ 0 0 20 -3,-1.6 -26,-1.3 1,-0.3 -25,-0.3 0.568 76.1 127.8 87.7 10.6 71.9 57.5 81.1 72 72 A A < - 0 0 4 -5,-2.8 2,-0.3 -28,-0.2 -1,-0.3 -0.371 50.8-129.5 -93.3 172.2 74.2 57.8 84.1 73 73 A N E -b 47 0A 87 -27,-3.0 -25,-2.8 -30,-0.2 2,-0.3 -0.876 17.9-152.3-119.2 156.9 77.8 56.7 84.4 74 74 A V E -b 48 0A 24 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.947 12.4-155.2-134.1 149.4 79.4 54.6 87.1 75 75 A T E -b 49 0A 56 -27,-2.2 -25,-3.2 -2,-0.3 2,-0.7 -0.996 20.7-149.8-119.9 113.2 82.8 54.1 88.7 76 76 A Y E -b 50 0A 58 -2,-0.5 2,-0.8 -27,-0.2 -25,-0.2 -0.810 8.1-164.6 -88.4 116.9 83.2 50.7 90.2 77 77 A I E -b 51 0A 33 -27,-3.7 -25,-2.7 -2,-0.7 -2,-0.0 -0.883 15.9-152.0-106.0 108.1 85.5 50.7 93.2 78 78 A D > - 0 0 45 -2,-0.8 4,-0.6 -27,-0.2 -25,-0.1 -0.153 29.3 -96.3 -73.5 169.4 86.5 47.1 94.0 79 79 A P T 4 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.751 123.5 50.6 -57.3 -30.1 87.5 45.5 97.3 80 80 A N T 4 S+ 0 0 142 1,-0.2 -27,-0.0 3,-0.0 -3,-0.0 0.933 112.9 43.0 -75.2 -47.4 91.2 45.9 96.5 81 81 A S T 4 S+ 0 0 84 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.453 113.1 70.0 -76.6 0.3 91.0 49.6 95.6 82 82 A S < + 0 0 7 -4,-0.6 -1,-0.1 -30,-0.2 -5,-0.0 -0.954 40.1 140.9-131.2 119.6 88.8 50.0 98.7 83 83 A Q >>> - 0 0 83 -2,-0.5 3,-1.5 5,-0.1 4,-0.6 -0.487 27.0-171.1-148.6 62.1 89.8 49.8 102.3 84 84 A I B 345S+e 88 0B 24 1,-0.2 5,-0.2 2,-0.1 6,-0.1 -0.478 77.3 25.7 -62.5 120.2 87.8 52.5 104.1 85 85 A G T 345S+ 0 0 52 3,-2.2 -1,-0.2 -2,-0.3 4,-0.1 -0.165 104.4 79.6 117.7 -37.5 89.3 52.6 107.5 86 86 A H T <45S- 0 0 164 -3,-1.5 -2,-0.1 2,-0.2 3,-0.1 0.990 115.9 -2.6 -64.1 -77.7 92.7 51.3 106.9 87 87 A K T <5S+ 0 0 188 -4,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.650 136.8 28.1 -92.9 -19.5 94.8 54.2 105.5 88 88 A E B - 0 0 49 -2,-0.3 4,-2.2 -5,-0.2 5,-0.2 -0.180 22.9-122.7 -65.1 154.6 88.8 57.5 107.3 90 90 A M H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.781 113.3 62.7 -68.3 -23.8 85.4 57.3 105.8 91 91 A K H > S+ 0 0 78 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.937 108.7 40.4 -67.0 -38.8 84.8 60.9 106.8 92 92 A D H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.896 116.2 49.0 -73.1 -44.5 87.7 61.9 104.5 93 93 A T H X S+ 0 0 20 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.912 110.5 51.6 -61.4 -44.6 86.8 59.6 101.7 94 94 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.860 108.3 52.1 -62.2 -37.5 83.2 60.7 101.8 95 95 A R H < S+ 0 0 119 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.846 113.8 42.0 -70.4 -35.0 84.2 64.3 101.6 96 96 A V H >X S+ 0 0 68 -4,-1.7 3,-1.7 2,-0.2 4,-0.6 0.977 118.2 44.5 -75.1 -53.8 86.4 63.8 98.5 97 97 A L H >X S+ 0 0 25 -4,-2.7 4,-2.7 1,-0.3 3,-1.2 0.827 105.5 61.4 -59.4 -37.4 83.9 61.5 96.7 98 98 A G H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.714 103.3 54.0 -63.3 -17.8 81.0 63.7 97.5 99 99 A R H <4 S+ 0 0 224 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.627 116.6 33.4 -91.8 -12.8 82.7 66.4 95.5 100 100 A M H << S+ 0 0 127 -3,-1.2 2,-0.2 -4,-0.6 -2,-0.2 0.738 114.3 54.7-109.7 -32.5 83.2 64.4 92.4 101 101 A Y < - 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0 0 32 -5,-0.4 3,-0.4 -4,-0.2 -1,-0.2 -0.995 54.8-162.5-132.3 122.7 48.5 26.0 98.9 266 266 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.603 95.0 56.6 -77.9 -10.6 49.1 24.9 95.3 267 267 A R S S+ 0 0 182 2,-0.1 -41,-0.1 -40,-0.0 -2,-0.0 0.591 78.6 120.8 -93.5 -17.1 49.8 28.5 94.4 268 268 A A - 0 0 0 -3,-0.4 2,-0.3 -43,-0.1 -41,-0.2 -0.070 47.6-154.5 -50.2 146.2 52.7 29.1 96.9 269 269 A K E -i 227 0C 48 -43,-2.0 -41,-2.8 43,-0.0 2,-0.4 -0.874 9.6-122.9-125.5 160.9 56.0 30.0 95.4 270 270 A F E -ij 228 311C 0 40,-3.5 42,-1.9 -2,-0.3 2,-0.4 -0.837 24.0-172.3-104.7 143.5 59.6 29.7 96.5 271 271 A M E +i 229 0C 0 -43,-3.0 -41,-1.3 -2,-0.4 2,-0.3 -0.987 11.9 165.5-137.8 142.3 62.1 32.5 96.9 272 272 A H E -i 230 0C 2 -2,-0.4 -41,-0.2 -43,-0.2 4,-0.1 -0.965 33.2-139.2-151.7 138.0 65.8 32.7 97.6 273 273 A C - 0 0 21 -43,-0.7 -42,-0.1 -2,-0.3 3,-0.1 0.543 64.4 -94.9 -83.5 -1.6 68.0 35.7 97.2 274 274 A L S S+ 0 0 21 1,-0.2 2,-0.1 -216,-0.0 -1,-0.1 0.469 96.0 81.4 62.1 151.2 70.9 33.6 95.7 275 275 A P - 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0 0 31 -4,-3.0 3,-1.5 -5,-0.3 -1,-0.3 -0.785 67.3-177.6-137.2 87.5 77.6 15.0 104.4 293 293 A P G > S+ 0 0 93 0, 0.0 3,-1.0 0, 0.0 -4,-0.1 0.708 82.8 66.6 -53.9 -26.8 76.3 12.6 101.7 294 294 A N G > S+ 0 0 101 1,-0.3 3,-0.8 2,-0.1 -5,-0.1 0.837 91.9 59.1 -67.4 -34.4 72.8 13.7 102.8 295 295 A L G X S+ 0 0 4 -3,-1.5 3,-0.6 1,-0.2 -1,-0.3 0.034 74.2 104.1 -85.8 26.8 73.3 17.3 101.5 296 296 A A G < S+ 0 0 36 -3,-1.0 -16,-0.5 1,-0.2 -1,-0.2 0.604 81.2 46.9 -82.8 -13.6 74.0 15.9 98.0 297 297 A N G < S- 0 0 91 -3,-0.8 6,-2.2 1,-0.5 7,-0.3 0.210 131.2 -53.0-112.8 19.1 70.5 17.0 96.9 298 298 A G B < -L 302 0E 1 -3,-0.6 -1,-0.5 4,-0.3 -20,-0.3 -0.335 39.5-138.9 125.2 153.2 70.6 20.5 98.3 299 299 A I S S+ 0 0 4 -22,-3.0 -21,-0.1 2,-0.5 3,-0.1 0.818 95.2 8.5-108.0 -74.9 71.2 22.2 101.6 300 300 A E S S+ 0 0 0 -23,-0.5 -45,-3.6 1,-0.2 2,-0.3 0.729 143.8 16.7 -81.2 -22.0 68.8 25.0 102.4 301 301 A V B S-k 255 0D 0 -24,-0.6 -2,-0.5 -47,-0.2 2,-0.3 -0.972 84.3-124.1-144.8 148.7 66.6 24.1 99.4 302 302 A T B >> -L 298 0E 13 -47,-1.4 4,-3.2 -2,-0.3 3,-0.6 -0.681 22.3-115.3-100.8 155.4 66.6 20.9 97.3 303 303 A E H 3> S+ 0 0 47 -6,-2.2 4,-3.1 -25,-0.4 -5,-0.1 0.806 114.4 61.5 -53.3 -34.0 67.1 20.5 93.6 304 304 A D H 34 S+ 0 0 98 -7,-0.3 -1,-0.2 2,-0.2 -48,-0.1 0.919 113.3 34.0 -56.5 -54.5 63.4 19.2 93.4 305 305 A V H X4 S+ 0 0 0 -3,-0.6 3,-1.0 -50,-0.2 6,-0.6 0.926 119.3 53.1 -68.9 -46.1 62.1 22.5 94.6 306 306 A F H 3< S+ 0 0 7 -4,-3.2 2,-0.7 1,-0.3 -2,-0.2 0.889 110.3 44.5 -61.5 -44.2 64.8 24.6 93.0 307 307 A E T 3< S+ 0 0 117 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.355 103.8 86.5 -98.7 55.1 64.3 23.2 89.5 308 308 A S S X S- 0 0 26 -3,-1.0 3,-1.8 -2,-0.7 -3,-0.1 -0.920 94.7 -94.7-143.4 166.8 60.5 23.4 89.5 309 309 A P T 3 S+ 0 0 113 0, 0.0 -39,-0.1 0, 0.0 -4,-0.1 0.571 116.2 73.0 -59.0 -11.6 57.7 25.9 88.8 310 310 A Y T 3 S+ 0 0 46 -5,-0.3 -40,-3.5 -41,-0.1 2,-0.5 0.832 79.8 87.5 -67.6 -40.0 57.8 26.7 92.5 311 311 A N B < +j 270 0C 23 -3,-1.8 -40,-0.2 -6,-0.6 3,-0.1 -0.557 37.7 158.8 -70.9 116.8 61.0 28.6 92.0 312 312 A I >> + 0 0 17 -42,-1.9 4,-2.4 -2,-0.5 3,-0.8 0.110 36.5 121.2-119.8 18.4 60.7 32.2 91.1 313 313 A A H 3> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.769 71.5 53.9 -53.1 -32.4 64.2 33.1 92.3 314 314 A F H 3> S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.828 108.5 46.4 -77.2 -30.4 65.3 34.4 88.9 315 315 A E H <> S+ 0 0 51 -3,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.930 112.7 53.0 -71.4 -44.5 62.4 36.8 88.4 316 316 A Q H < S+ 0 0 2 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.894 108.9 48.7 -54.7 -44.2 63.2 37.9 92.0 317 317 A A H >< S+ 0 0 31 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.874 110.0 51.4 -67.9 -36.6 66.9 38.4 90.9 318 318 A E H >X S+ 0 0 62 -4,-1.9 3,-2.1 1,-0.2 4,-1.0 0.915 101.9 61.5 -64.6 -41.7 65.7 40.4 87.9 319 319 A N H 3X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.549 86.5 75.5 -61.6 -7.7 63.6 42.7 90.1 320 320 A R H <> S+ 0 0 15 -3,-0.9 4,-1.1 -4,-0.3 -1,-0.3 0.744 98.4 45.0 -73.9 -29.1 66.6 43.8 91.9 321 321 A M H <> S+ 0 0 24 -3,-2.1 4,-1.8 -4,-0.3 -2,-0.2 0.916 110.8 49.3 -81.8 -50.0 67.5 46.0 89.0 322 322 A H H X S+ 0 0 2 -4,-1.0 4,-1.5 1,-0.2 -2,-0.2 0.879 113.5 51.2 -56.7 -35.7 64.1 47.5 88.3 323 323 A T H X S+ 0 0 1 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.890 107.6 47.9 -68.4 -47.0 64.0 48.3 92.1 324 324 A I H X S+ 0 0 0 -4,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.826 108.6 57.9 -66.2 -28.2 67.4 50.1 92.4 325 325 A K H X S+ 0 0 0 -4,-1.8 4,-3.6 2,-0.2 5,-0.3 0.922 102.9 51.7 -68.7 -41.3 66.4 52.1 89.3 326 326 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.905 111.1 49.6 -61.1 -36.4 63.3 53.3 91.2 327 327 A I H X S+ 0 0 4 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.945 113.8 43.7 -67.0 -46.1 65.8 54.2 94.0 328 328 A L H X>S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.6 0.944 117.8 46.0 -63.2 -49.4 68.1 56.1 91.7 329 329 A V H X5S+ 0 0 3 -4,-3.6 4,-1.6 3,-0.2 6,-0.3 0.925 113.7 45.3 -63.2 -49.2 65.2 57.8 89.8 330 330 A S H <5S+ 0 0 2 -4,-2.7 -326,-0.5 -5,-0.3 -1,-0.2 0.871 122.4 39.6 -62.3 -33.7 63.2 58.9 92.8 331 331 A T H <5S+ 0 0 12 -4,-1.9 -325,-2.1 -5,-0.3 -2,-0.2 0.914 133.1 14.4 -81.4 -46.6 66.4 60.2 94.5 332 332 A L H <5S+ 0 0 22 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.666 91.7 110.1-109.8 -20.0 68.3 61.8 91.6 333 333 A A S <