==== 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 TRANSFERASE 29-JUN-03 1PVV . COMPND 2 MOLECULE: ORNITHINE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.MASSANT,J.WOUTERS,N.GLANSDORFF . 313 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 0 1 0 1 0 2 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 V 0 0 114 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 147.7 -14.5 27.0 11.3 2 2 A V - 0 0 51 16,-0.3 2,-0.1 17,-0.1 0, 0.0 -0.910 360.0 -83.0-137.5 164.3 -12.4 29.1 9.0 3 3 A S + 0 0 86 -2,-0.3 305,-0.1 1,-0.1 304,-0.1 -0.410 29.7 176.9 -71.9 143.9 -9.0 28.8 7.3 4 4 A L > + 0 0 2 303,-0.4 3,-2.4 -2,-0.1 -1,-0.1 0.128 29.6 151.2-122.7 12.6 -5.8 29.8 9.1 5 5 A A T 3 S+ 0 0 31 1,-0.3 303,-0.2 304,-0.1 304,-0.2 -0.164 72.2 3.4 -52.1 127.2 -3.6 28.7 6.2 6 6 A G T 3 S+ 0 0 49 302,-2.4 -1,-0.3 1,-0.2 302,-0.1 0.418 96.7 146.3 81.2 -3.9 -0.4 30.8 6.2 7 7 A R < - 0 0 63 -3,-2.4 -1,-0.2 300,-0.1 2,-0.2 -0.342 44.0-135.1 -76.3 144.3 -1.2 32.7 9.4 8 8 A D - 0 0 54 116,-0.2 2,-0.4 -2,-0.1 118,-0.2 -0.610 9.6-150.3 -78.8 152.8 1.2 33.9 12.0 9 9 A L B +a 126 0A 0 116,-2.4 118,-3.1 -2,-0.2 127,-0.1 -0.805 46.9 130.1-131.3 89.2 0.3 33.4 15.7 10 10 A L S S- 0 0 29 1,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.749 78.8 -0.8-103.6 -44.4 1.9 36.2 17.6 11 11 A C > - 0 0 19 -3,-0.1 3,-1.0 123,-0.1 -1,-0.5 -0.974 60.8-132.4-155.0 139.2 -0.9 37.5 19.7 12 12 A L G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.2 8,-0.1 0.536 91.3 86.8 -77.4 -7.4 -4.6 36.3 19.9 13 13 A Q G 3 S+ 0 0 31 1,-0.3 -1,-0.2 163,-0.0 156,-0.0 0.870 87.5 52.9 -66.2 -25.7 -5.9 39.9 19.6 14 14 A D G < S+ 0 0 95 -3,-1.0 2,-0.4 2,-0.1 -1,-0.3 0.245 96.0 90.4 -93.1 21.4 -5.8 39.6 15.9 15 15 A Y S < S- 0 0 2 -3,-2.2 2,-0.1 4,-0.0 -6,-0.0 -0.904 72.7-131.2-110.5 140.6 -7.8 36.3 15.9 16 16 A T > - 0 0 70 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.433 27.6-110.9 -79.3 163.8 -11.6 36.1 15.7 17 17 A A H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 122.0 52.4 -59.7 -37.6 -13.6 34.0 18.2 18 18 A E H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -16,-0.3 0.883 105.7 53.2 -69.9 -34.5 -14.4 31.6 15.3 19 19 A E H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.875 110.9 47.4 -65.7 -37.1 -10.7 31.3 14.4 20 20 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.939 110.1 51.5 -68.8 -41.6 -9.9 30.3 18.0 21 21 A W H X S+ 0 0 63 -4,-2.5 4,-3.5 1,-0.2 5,-0.3 0.862 104.0 59.8 -64.3 -29.5 -12.8 27.8 18.1 22 22 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.942 107.5 45.0 -61.5 -43.5 -11.3 26.4 14.8 23 23 A I H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.956 115.1 47.3 -65.0 -46.1 -8.1 25.6 16.7 24 24 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 112.6 47.9 -66.7 -40.4 -10.0 24.2 19.7 25 25 A E H X S+ 0 0 88 -4,-3.5 4,-1.9 2,-0.2 -1,-0.2 0.932 114.7 46.1 -63.9 -43.0 -12.3 22.0 17.7 26 26 A T H X S+ 0 0 31 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.904 111.1 54.0 -63.8 -39.1 -9.4 20.7 15.6 27 27 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.923 107.1 49.9 -63.7 -41.2 -7.4 20.2 18.8 28 28 A K H X S+ 0 0 72 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.918 110.4 50.4 -63.5 -38.8 -10.1 18.1 20.4 29 29 A M H X S+ 0 0 93 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.951 112.0 47.4 -64.6 -47.5 -10.3 15.9 17.2 30 30 A F H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.907 111.1 52.3 -58.3 -40.8 -6.6 15.4 17.3 31 31 A K H X S+ 0 0 24 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.946 109.5 47.3 -64.7 -42.8 -6.7 14.5 21.0 32 32 A I H X S+ 0 0 94 -4,-2.4 4,-1.9 2,-0.2 6,-0.2 0.938 111.9 51.6 -62.3 -43.5 -9.4 11.9 20.6 33 33 A W H X>S+ 0 0 62 -4,-2.4 5,-2.7 -5,-0.2 4,-1.0 0.938 109.4 50.8 -55.5 -45.1 -7.4 10.4 17.6 34 34 A Q H <5S+ 0 0 70 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.905 109.8 49.5 -61.7 -41.2 -4.3 10.3 19.8 35 35 A K H <5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.1 43.0 -70.1 -26.6 -6.2 8.5 22.6 36 36 A I H <5S- 0 0 120 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.515 115.0-112.7 -98.2 -4.0 -7.6 5.9 20.2 37 37 A G T <5 + 0 0 61 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.732 59.9 153.8 86.1 25.5 -4.4 5.4 18.3 38 38 A K < - 0 0 100 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.736 40.0-133.2 -87.5 118.5 -5.4 6.8 15.0 39 39 A P - 0 0 104 0, 0.0 31,-0.1 0, 0.0 30,-0.0 -0.265 24.0-178.6 -67.2 157.7 -2.3 8.1 13.2 40 40 A H + 0 0 12 29,-0.5 2,-2.4 -6,-0.0 3,-0.2 -0.304 10.1 167.9-155.6 61.9 -2.4 11.5 11.6 41 41 A R > + 0 0 147 1,-0.2 3,-0.7 30,-0.1 29,-0.2 -0.452 19.6 151.7 -79.7 68.9 1.0 12.2 9.8 42 42 A L T 3 + 0 0 103 -2,-2.4 -1,-0.2 1,-0.2 29,-0.2 0.598 64.1 48.7 -79.8 -11.7 -0.5 15.2 8.0 43 43 A L T > S+ 0 0 2 27,-3.1 3,-2.5 -3,-0.2 -1,-0.2 -0.208 74.0 167.3-121.8 39.1 2.8 17.2 7.7 44 44 A E T < S+ 0 0 122 -3,-0.7 28,-0.2 1,-0.3 27,-0.1 -0.335 71.9 11.1 -57.3 131.5 5.0 14.5 6.3 45 45 A G T 3 S+ 0 0 67 26,-1.2 -1,-0.3 1,-0.3 2,-0.2 0.448 101.0 124.1 82.0 -2.8 8.3 16.1 5.0 46 46 A K < - 0 0 42 -3,-2.5 27,-2.1 24,-0.2 2,-0.4 -0.660 45.2-153.9 -93.7 156.5 7.5 19.4 6.6 47 47 A T E -b 73 0A 34 -2,-0.2 55,-2.3 25,-0.2 56,-0.8 -0.956 9.5-156.5-134.0 150.8 9.8 21.2 9.0 48 48 A L E -bc 74 103A 0 25,-2.2 27,-2.6 -2,-0.4 2,-0.7 -0.976 14.2-144.4-121.4 115.7 9.5 23.7 11.8 49 49 A A E -bc 75 104A 0 54,-2.6 56,-2.9 -2,-0.5 2,-0.7 -0.750 15.7-160.1 -82.0 119.5 12.4 25.9 12.8 50 50 A M E -bc 76 105A 0 25,-2.9 27,-2.8 -2,-0.7 2,-0.6 -0.864 4.3-165.7-100.0 112.1 12.3 26.4 16.6 51 51 A I E -bc 77 106A 4 54,-3.2 56,-3.1 -2,-0.7 2,-0.4 -0.841 8.1-171.4-101.0 118.2 14.3 29.4 17.8 52 52 A F E +bc 78 107A 2 25,-2.6 27,-3.4 -2,-0.6 28,-0.4 -0.942 25.8 169.5-117.3 133.7 15.0 29.5 21.5 53 53 A Q S S+ 0 0 55 54,-2.6 55,-0.2 -2,-0.4 -1,-0.1 0.457 74.7 36.7-107.0 -14.3 16.5 32.3 23.6 54 54 A K S S- 0 0 51 53,-0.4 -1,-0.1 1,-0.0 25,-0.1 -0.942 95.9 -82.6-136.6 156.2 15.7 30.8 27.0 55 55 A P - 0 0 124 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.227 52.5-179.0 -48.0 144.1 15.5 27.4 28.7 56 56 A S + 0 0 36 1,-0.1 -4,-0.0 2,-0.1 51,-0.0 -0.943 30.1 166.1-157.4 134.3 12.2 25.7 28.0 57 57 A T S > S+ 0 0 93 -2,-0.3 4,-2.3 3,-0.1 5,-0.3 0.757 86.8 34.7-104.0 -58.9 10.5 22.4 28.9 58 58 A R H > S+ 0 0 62 2,-0.2 4,-2.3 3,-0.2 5,-0.4 0.937 123.5 40.4 -69.1 -52.9 6.9 22.8 27.9 59 59 A T H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.949 118.2 50.7 -63.8 -43.9 7.2 25.0 24.7 60 60 A R H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.973 119.0 31.3 -54.8 -62.0 10.3 23.0 23.6 61 61 A V H X S+ 0 0 73 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.891 114.4 57.5 -83.7 -26.8 8.9 19.5 23.9 62 62 A S H X S+ 0 0 12 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.871 114.6 40.8 -62.6 -36.8 5.2 20.2 23.1 63 63 A F H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.4 -1,-0.2 0.897 116.3 48.9 -75.5 -37.7 6.3 21.7 19.7 64 64 A E H X S+ 0 0 75 -4,-2.2 4,-1.8 -5,-0.3 10,-0.3 0.942 115.2 43.8 -69.9 -41.4 8.9 19.1 19.1 65 65 A V H X S+ 0 0 50 -4,-3.1 4,-2.7 -5,-0.2 5,-0.3 0.919 109.2 58.2 -66.5 -41.9 6.5 16.2 19.8 66 66 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.914 107.1 46.7 -56.2 -44.9 3.7 17.8 17.9 67 67 A M H <>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 4,-0.3 0.906 111.1 52.9 -65.4 -38.7 5.8 17.8 14.7 68 68 A A H ><5S+ 0 0 58 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.938 109.8 47.2 -59.6 -47.9 6.9 14.2 15.3 69 69 A H H 3<5S+ 0 0 57 -4,-2.7 -29,-0.5 1,-0.3 -1,-0.2 0.873 110.2 54.1 -59.7 -38.1 3.2 13.1 15.6 70 70 A L T 3<5S- 0 0 0 -4,-1.8 -27,-3.1 -5,-0.3 -1,-0.3 0.447 119.3-110.5 -80.7 4.5 2.3 15.0 12.4 71 71 A G T < 5S+ 0 0 7 -3,-1.5 -26,-1.2 -4,-0.3 -3,-0.2 0.540 84.7 97.2 85.9 0.6 5.0 13.3 10.5 72 72 A G S > -b 52 0A 36 -2,-0.7 3,-3.1 -27,-0.2 4,-0.6 -0.612 24.2-130.7 -66.3 126.4 19.2 27.6 20.3 79 79 A A G >4 S+ 0 0 6 -27,-3.4 6,-0.7 -2,-0.4 3,-0.6 0.757 109.1 61.7 -54.7 -23.1 19.7 31.3 19.2 80 80 A Q G 34 S+ 0 0 97 -28,-0.4 -1,-0.3 1,-0.2 -27,-0.1 0.656 101.6 52.3 -70.4 -21.8 23.3 30.9 20.7 81 81 A D G <4 S+ 0 0 129 -3,-3.1 -1,-0.2 4,-0.0 -2,-0.2 0.547 101.3 76.0 -95.0 -6.3 23.9 28.2 18.2 82 82 A L S X< S- 0 0 42 -4,-0.6 3,-1.4 -3,-0.6 4,-0.4 -0.488 95.7-105.9 -96.6 168.3 22.8 30.3 15.2 83 83 A Q T 3 >S+ 0 0 116 1,-0.3 5,-2.3 2,-0.2 3,-0.1 0.516 109.9 84.2 -76.5 -2.2 24.7 33.1 13.4 84 84 A L T > 5S+ 0 0 40 1,-0.2 3,-2.0 3,-0.2 -1,-0.3 0.924 85.2 59.3 -53.1 -42.9 22.2 35.5 15.2 85 85 A R T < 5S+ 0 0 116 -3,-1.4 -1,-0.2 -6,-0.7 -2,-0.2 0.850 105.6 46.5 -55.9 -38.2 24.8 35.1 18.0 86 86 A R T 3 5S- 0 0 174 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.2 0.080 132.0 -82.4 -95.5 19.6 27.5 36.5 15.8 87 87 A G T < 5S+ 0 0 60 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.309 73.3 147.4 108.0 -17.5 25.6 39.5 14.4 88 88 A E < - 0 0 81 -5,-2.3 -1,-0.3 1,-0.1 -6,-0.0 -0.358 53.7-109.2 -56.7 136.8 23.4 38.3 11.5 89 89 A T > - 0 0 73 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.254 11.8-123.8 -70.0 155.1 20.2 40.3 11.4 90 90 A I H > S+ 0 0 33 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.950 113.6 54.5 -57.0 -51.8 16.8 38.9 12.4 91 91 A A H > S+ 0 0 13 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.894 110.0 46.5 -49.2 -50.3 15.5 40.0 9.0 92 92 A D H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.819 112.6 48.7 -66.0 -35.5 18.2 38.1 7.2 93 93 A T H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.913 111.1 50.3 -76.6 -31.7 17.8 34.9 9.3 94 94 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 28,-0.4 0.921 112.8 49.1 -62.2 -41.4 14.0 35.0 8.8 95 95 A R H < S+ 0 0 121 -4,-2.1 4,-0.5 -5,-0.3 -2,-0.2 0.929 114.0 42.4 -63.6 -46.4 14.7 35.3 5.1 96 96 A V H >< S+ 0 0 50 -4,-2.3 3,-2.0 1,-0.2 4,-0.4 0.966 113.2 52.9 -71.6 -42.5 17.2 32.5 4.8 97 97 A L H >X S+ 0 0 21 -4,-2.8 4,-2.8 1,-0.3 3,-2.4 0.894 99.6 64.7 -55.7 -39.0 15.1 30.2 7.1 98 98 A S T 3< S+ 0 0 15 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.712 97.4 56.0 -56.3 -20.8 12.1 30.8 4.8 99 99 A R T <4 S+ 0 0 216 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.580 119.1 30.6 -90.5 -5.9 14.1 29.1 2.0 100 100 A Y T <4 S+ 0 0 171 -3,-2.4 -2,-0.2 -4,-0.4 2,-0.2 0.774 113.4 44.3-116.7 -43.3 14.5 26.0 4.1 101 101 A V < - 0 0 11 -4,-2.8 -53,-0.2 -55,-0.1 3,-0.1 -0.499 61.9-135.2-108.2 174.1 11.6 25.4 6.5 102 102 A D S S+ 0 0 60 -55,-2.3 2,-0.3 1,-0.3 -54,-0.2 0.555 85.7 3.9-108.2 -9.8 7.8 25.6 6.4 103 103 A A E -c 48 0A 0 -56,-0.8 -54,-2.6 20,-0.2 2,-0.4 -0.963 62.9-141.0-161.8 165.4 7.1 27.4 9.6 104 104 A I E -cd 49 125A 0 20,-2.5 22,-2.6 -2,-0.3 2,-0.4 -0.999 7.6-165.8-132.4 133.9 9.1 29.1 12.4 105 105 A M E -cd 50 126A 0 -56,-2.9 -54,-3.2 -2,-0.4 2,-0.4 -0.986 13.8-161.5-116.0 132.5 8.3 29.0 16.1 106 106 A A E -cd 51 127A 0 20,-2.9 22,-3.4 -2,-0.4 23,-0.8 -0.970 18.9-169.6-121.6 137.9 10.2 31.5 18.3 107 107 A R E +cd 52 129A 29 -56,-3.1 -54,-2.6 -2,-0.4 -53,-0.4 -0.975 39.3 153.7-122.1 100.8 10.8 31.6 22.1 108 108 A V - 0 0 3 21,-1.6 3,-0.1 -2,-0.5 -2,-0.0 -0.731 52.1-130.3-132.2 159.7 12.2 35.0 22.6 109 109 A Y S S+ 0 0 128 -2,-0.2 22,-2.6 1,-0.2 2,-0.5 0.920 93.5 50.2 -77.9 -73.2 12.6 37.8 25.1 110 110 A D S >> S- 0 0 68 20,-0.2 3,-2.1 1,-0.2 4,-1.0 -0.574 70.0-148.6 -81.1 120.7 11.5 40.8 23.2 111 111 A H H 3> S+ 0 0 13 -2,-0.5 4,-2.2 1,-0.3 3,-0.5 0.838 98.6 66.5 -53.7 -33.6 8.2 40.5 21.4 112 112 A K H 3> S+ 0 0 111 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.788 93.6 61.8 -60.0 -25.7 9.6 42.9 18.7 113 113 A D H <> S+ 0 0 37 -3,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.926 108.7 38.5 -67.5 -43.6 12.0 40.1 17.9 114 114 A V H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.5 -2,-0.2 0.788 112.1 57.8 -83.4 -18.1 9.3 37.7 16.9 115 115 A E H X S+ 0 0 98 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.912 108.9 46.9 -68.6 -37.3 7.2 40.4 15.3 116 116 A D H X S+ 0 0 26 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.890 107.9 55.9 -67.8 -39.9 10.3 41.1 13.0 117 117 A L H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.965 111.2 44.3 -53.5 -50.2 10.6 37.3 12.4 118 118 A A H < S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 111.6 54.3 -64.3 -37.7 7.0 37.4 11.2 119 119 A K H < S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.922 118.5 31.3 -61.3 -49.4 7.6 40.5 9.1 120 120 A Y H < S+ 0 0 77 -4,-2.8 2,-0.2 -5,-0.1 -1,-0.2 0.687 101.6 87.0 -89.1 -16.9 10.5 39.2 7.2 121 121 A A < - 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0 0 60 -2,-0.3 3,-0.1 -3,-0.2 -28,-0.0 -0.514 59.5 -84.4-102.0 165.2 -0.9 45.0 36.4 191 191 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 -0.251 62.9 -77.5 -62.1 157.4 -1.4 44.0 32.7 192 192 A D > - 0 0 76 -29,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.182 38.3-128.2 -51.2 145.9 -0.4 46.4 30.0 193 193 A E H > S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.790 108.6 60.7 -75.3 -24.5 -3.1 49.1 29.6 194 194 A K H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 108.5 44.7 -60.4 -42.6 -3.3 48.4 25.8 195 195 A V H > S+ 0 0 1 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.890 107.8 56.3 -73.2 -39.1 -4.3 44.8 26.7 196 196 A I H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.940 111.6 44.1 -57.2 -42.3 -6.8 45.8 29.4 197 197 A K H X S+ 0 0 97 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.925 111.0 53.4 -73.7 -38.5 -8.6 48.0 26.9 198 198 A W H X S+ 0 0 42 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.953 109.5 50.7 -51.4 -50.3 -8.4 45.2 24.2 199 199 A A H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.915 110.8 48.8 -52.8 -44.1 -9.9 43.0 26.8 200 200 A E H X S+ 0 0 109 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 112.4 45.3 -69.1 -45.6 -12.7 45.5 27.4 201 201 A Q H X S+ 0 0 84 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.947 113.5 53.0 -61.4 -42.2 -13.6 46.0 23.8 202 202 A N H X S+ 0 0 4 -4,-3.1 4,-2.9 -5,-0.3 6,-0.3 0.923 111.1 44.4 -57.7 -44.8 -13.4 42.2 23.3 203 203 A A H X>S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 5,-0.7 0.892 109.1 57.6 -69.9 -36.9 -15.9 41.6 26.2 204 204 A A H <5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 116.0 36.2 -55.4 -40.1 -18.1 44.4 25.0 205 205 A E H <5S+ 0 0 155 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.861 122.4 42.7 -85.0 -34.5 -18.4 42.6 21.6 206 206 A S H <5S- 0 0 25 -4,-2.9 -2,-0.2 -31,-0.3 -3,-0.2 0.624 105.1-121.6 -85.3 -15.1 -18.4 39.0 22.9 207 207 A G T <5S+ 0 0 52 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.660 77.4 115.4 79.4 13.0 -20.7 39.7 25.8 208 208 A G < - 0 0 12 -5,-0.7 2,-0.3 -33,-0.3 -28,-0.2 -0.075 58.2-125.4 -93.6-153.0 -18.1 38.4 28.2 209 209 A S E -g 180 0B 49 -30,-2.4 -28,-3.4 -35,-0.1 2,-0.3 -0.989 12.9-155.7-156.2 148.0 -16.5 40.7 30.8 210 210 A F E +g 181 0B 24 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.914 14.5 179.6-118.0 150.4 -13.1 41.9 32.1 211 211 A E E -g 182 0B 96 -30,-0.9 -28,-2.3 -2,-0.3 2,-0.7 -0.905 15.7-156.2-155.5 126.2 -12.4 43.2 35.6 212 212 A L E +g 183 0B 50 -2,-0.3 -28,-0.2 -30,-0.2 2,-0.1 -0.886 26.0 164.2-109.0 96.1 -9.1 44.4 37.2 213 213 A L E -g 184 0B 25 -30,-1.1 -28,-0.9 -2,-0.7 -2,-0.0 -0.173 33.6-149.9 -91.9-175.2 -9.1 44.1 41.1 214 214 A H S S+ 0 0 48 -30,-0.2 -27,-0.2 1,-0.1 3,-0.1 0.220 77.1 81.7-143.0 5.9 -6.2 44.3 43.6 215 215 A D >> - 0 0 66 1,-0.2 4,-2.8 -29,-0.1 3,-0.8 -0.913 59.1-165.1-114.7 101.5 -7.7 42.0 46.3 216 216 A P H 3> S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.882 92.8 53.3 -53.4 -40.3 -7.1 38.4 45.4 217 217 A V H 34 S+ 0 0 67 1,-0.2 4,-0.2 2,-0.2 33,-0.0 0.852 112.1 46.6 -66.2 -28.9 -9.6 37.3 48.0 218 218 A K H X4 S+ 0 0 98 -3,-0.8 3,-1.2 2,-0.1 -1,-0.2 0.957 111.9 50.6 -72.5 -52.7 -12.0 39.6 46.3 219 219 A A H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.1 0.881 105.5 53.9 -46.3 -53.7 -11.2 38.4 42.8 220 220 A V T >< S+ 0 0 0 -4,-2.5 3,-2.6 -5,-0.2 -1,-0.2 0.534 73.2 135.1 -74.9 -1.0 -11.6 34.7 43.4 221 221 A K T < S- 0 0 104 -3,-1.2 39,-0.2 1,-0.3 3,-0.1 -0.227 87.8 -13.7 -61.6 123.9 -15.1 34.8 44.8 222 222 A D T 3 S+ 0 0 81 37,-2.0 -1,-0.3 1,-0.2 38,-0.2 0.738 97.2 171.6 60.4 22.9 -17.3 32.1 43.3 223 223 A A < - 0 0 0 -3,-2.6 38,-1.7 1,-0.1 -1,-0.2 -0.215 36.0-155.3 -62.7 149.2 -14.7 31.6 40.7 224 224 A D S S+ 0 0 16 -68,-2.7 41,-2.6 1,-0.4 2,-0.4 0.800 86.1 20.3 -89.1 -35.9 -14.9 28.8 38.2 225 225 A V E -fh 157 265B 0 -69,-2.1 -67,-3.1 39,-0.3 2,-0.5 -0.996 62.4-161.7-131.3 139.8 -11.2 28.9 37.7 226 226 A I E -fh 158 266B 0 39,-2.4 41,-2.6 -2,-0.4 2,-0.4 -0.998 20.5-176.0-117.3 126.0 -8.3 30.3 39.7 227 227 A Y E +fh 159 267B 0 -69,-3.0 -67,-2.4 -2,-0.5 2,-0.3 -0.948 7.4 166.2-121.1 129.0 -5.1 30.8 37.7 228 228 A T E - h 0 268B 0 39,-1.8 41,-0.7 -2,-0.4 2,-0.3 -0.869 10.8-169.4-136.8-179.2 -1.7 32.0 38.8 229 229 A D - 0 0 9 -69,-0.5 -67,-0.2 -2,-0.3 43,-0.1 -0.880 45.6 -55.1-151.0 176.0 1.9 32.1 37.6 230 230 A V - 0 0 32 41,-0.3 -68,-0.2 -2,-0.3 3,-0.1 -0.366 63.4-104.5 -64.3 146.9 5.4 32.9 38.9 231 231 A W - 0 0 8 1,-0.2 2,-0.7 -70,-0.1 -1,-0.1 -0.143 48.4 -75.0 -66.6 158.7 5.8 36.3 40.6 232 232 A A - 0 0 1 1,-0.2 -1,-0.2 11,-0.1 15,-0.1 -0.430 40.7-163.3 -59.2 106.3 7.6 39.2 39.0 233 233 A S + 0 0 55 -2,-0.7 3,-0.3 -3,-0.1 -1,-0.2 0.899 61.3 107.4 -58.7 -36.7 11.2 38.2 39.4 234 234 A M S S+ 0 0 113 1,-0.3 3,-0.2 2,-0.1 4,-0.1 -0.083 80.1 29.9 -44.2 123.5 12.0 41.8 38.7 235 235 A G S > S- 0 0 39 1,-0.2 3,-4.2 2,-0.1 8,-0.4 0.758 98.0-140.6 85.0 28.9 13.2 43.3 42.0 236 236 A Q T 3 S- 0 0 100 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.096 70.1 -47.9 -30.4 77.3 14.5 39.9 42.8 237 237 A E T 3 S- 0 0 51 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.878 87.5-156.2 44.2 46.9 13.5 40.0 46.5 238 238 A A S < S+ 0 0 61 -3,-4.2 -2,-0.1 1,-0.3 -3,-0.1 0.635 77.9 20.6 -11.5 -95.6 15.2 43.4 46.2 239 239 A E S S- 0 0 163 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.1 0.877 136.3 -74.4 -49.0 -45.8 16.3 44.3 49.8 240 240 A A S S+ 0 0 78 -3,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.194 122.1 16.8 157.6 10.7 16.0 40.6 50.6 241 241 A E S > S+ 0 0 106 -4,-0.0 4,-1.5 3,-0.0 -3,-0.1 0.350 80.7 109.8 173.6 23.8 12.3 40.1 50.8 242 242 A E H > S+ 0 0 76 -7,-0.2 4,-1.5 2,-0.2 5,-0.2 0.882 81.7 56.9 -76.7 -39.9 10.3 42.9 49.1 243 243 A R H > S+ 0 0 12 -8,-0.4 4,-1.7 1,-0.2 5,-0.3 0.885 109.3 47.3 -56.6 -41.5 9.2 40.7 46.2 244 244 A R H > S+ 0 0 70 1,-0.2 4,-3.8 2,-0.2 -1,-0.2 0.963 105.7 55.0 -67.3 -52.6 7.7 38.3 48.7 245 245 A K H < S+ 0 0 122 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.771 114.7 40.5 -59.5 -25.5 5.8 40.8 50.9 246 246 A I H < S+ 0 0 63 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.849 126.2 31.5 -91.7 -32.7 3.9 42.2 47.9 247 247 A F H >< S+ 0 0 0 -4,-1.7 3,-2.0 -5,-0.2 -2,-0.2 0.775 102.9 77.9 -91.2 -30.6 3.2 39.1 45.9 248 248 A R G >< S+ 0 0 90 -4,-3.8 3,-1.8 -5,-0.3 -3,-0.2 0.829 87.8 57.0 -52.7 -37.3 2.9 36.7 48.9 249 249 A P G 3 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.810 102.3 59.3 -65.3 -20.7 -0.7 37.9 49.8 250 250 A F G < S+ 0 0 12 -3,-2.0 2,-0.4 -4,-0.2 -2,-0.2 0.144 80.0 129.0 -88.1 23.8 -1.5 36.9 46.2 251 251 A Q < - 0 0 13 -3,-1.8 2,-0.8 1,-0.1 5,-0.2 -0.637 61.5-126.2 -83.9 132.0 -0.4 33.3 46.9 252 252 A V B +j 278 0C 0 25,-2.9 27,-1.4 -2,-0.4 2,-0.2 -0.639 50.3 144.4 -80.9 111.9 -2.9 30.5 46.0 253 253 A N > - 0 0 20 -2,-0.8 4,-2.7 25,-0.2 5,-0.2 -0.757 66.0 -80.1-136.1-176.8 -3.5 28.4 49.1 254 254 A K H > S+ 0 0 94 -2,-0.2 4,-0.9 1,-0.2 -2,-0.0 0.805 126.6 49.4 -62.4 -25.3 -6.3 26.4 50.8 255 255 A D H >> S+ 0 0 101 2,-0.2 4,-0.7 1,-0.1 3,-0.5 0.972 112.5 43.3 -79.5 -51.8 -7.7 29.6 52.3 256 256 A L H >4 S+ 0 0 8 1,-0.2 3,-1.0 -5,-0.2 4,-0.3 0.911 115.5 51.9 -51.7 -43.8 -7.8 31.8 49.2 257 257 A V H >< S+ 0 0 24 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.777 91.2 78.1 -66.9 -27.8 -9.2 28.8 47.3 258 258 A K H << S+ 0 0 139 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.839 89.2 57.0 -48.0 -41.0 -11.8 28.4 50.0 259 259 A H T << S+ 0 0 76 -3,-1.0 -37,-2.0 -4,-0.7 -1,-0.3 0.677 89.9 83.7 -71.4 -22.1 -13.8 31.2 48.4 260 260 A A S < S- 0 0 8 -3,-1.5 -36,-0.1 -4,-0.3 -39,-0.1 -0.260 98.9 -71.4 -79.1 172.2 -14.2 29.9 44.9 261 261 A K > - 0 0 82 -38,-1.7 3,-1.6 -41,-0.2 -1,-0.2 -0.225 47.4-116.7 -55.9 152.6 -16.9 27.4 43.8 262 262 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.873 116.3 49.4 -61.7 -36.3 -16.2 24.0 45.2 263 263 A D T 3 S+ 0 0 96 2,-0.1 -2,-0.1 -38,-0.0 -39,-0.0 0.097 85.2 141.9 -90.5 21.9 -15.8 22.5 41.7 264 264 A Y < - 0 0 9 -3,-1.6 2,-0.5 -7,-0.1 -39,-0.3 -0.203 50.4-124.0 -60.4 156.4 -13.4 25.3 40.7 265 265 A M E -h 225 0B 5 -41,-2.6 -39,-2.4 24,-0.0 2,-0.6 -0.907 12.4-146.5-103.4 124.3 -10.3 24.5 38.5 266 266 A F E -hi 226 288B 0 21,-2.4 23,-2.7 -2,-0.5 2,-0.3 -0.837 26.4-176.9 -88.2 122.5 -6.9 25.4 39.8 267 267 A M E +h 227 0B 0 -41,-2.6 -39,-1.8 -2,-0.6 2,-0.3 -0.879 16.6 168.1-121.1 151.7 -4.7 26.3 36.8 268 268 A H E -h 228 0B 1 -2,-0.3 -39,-0.2 -41,-0.2 26,-0.1 -0.860 30.3-143.9-158.5 126.5 -1.0 27.2 36.4 269 269 A C - 0 0 6 -41,-0.7 -40,-0.1 -2,-0.3 3,-0.1 0.638 61.7-120.1 -67.4 -16.5 0.9 27.5 33.1 270 270 A L S S+ 0 0 16 1,-0.2 2,-0.1 -212,-0.0 -1,-0.1 0.249 89.0 104.8 65.0 160.2 4.0 26.1 34.8 271 271 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -41,-0.3 0.621 63.8-159.8 -72.0 150.1 6.8 26.0 35.8 272 272 A A - 0 0 27 -2,-0.1 2,-0.9 -4,-0.1 -4,-0.0 -0.765 20.1-142.2 -99.8 147.3 5.6 26.5 39.4 273 273 A H > > - 0 0 92 -2,-0.3 3,-2.2 -3,-0.0 5,-0.8 -0.876 31.0-139.6 -98.5 92.3 7.7 27.7 42.3 274 274 A R B 3 5S+k 278 0C 105 -2,-0.9 5,-0.2 1,-0.3 3,-0.1 -0.388 85.4 23.9 -61.0 140.6 6.1 25.6 45.1 275 275 A G T 3 5S+ 0 0 40 3,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.185 119.6 65.8 86.9 -5.4 5.7 27.5 48.3 276 276 A E T < 5S+ 0 0 45 -3,-2.2 -1,-0.2 2,-0.6 -2,-0.1 0.593 115.9 3.3-105.2-100.0 5.6 30.8 46.4 277 277 A E T 5S+ 0 0 0 -4,-0.3 -25,-2.9 -26,-0.2 2,-0.3 0.741 139.9 16.9 -63.0 -20.6 2.7 31.6 44.0 278 278 A V B > - 0 0 10 -27,-1.4 4,-2.2 -2,-0.3 3,-1.0 -0.691 28.5-114.1-102.7 154.9 1.3 25.7 47.8 280 280 A D H 3> S+ 0 0 79 1,-0.3 4,-2.6 -2,-0.3 5,-0.1 0.892 114.4 59.2 -52.7 -41.8 1.8 21.9 47.4 281 281 A D H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.2 -28,-0.1 0.810 110.5 39.5 -65.0 -28.4 -1.6 21.3 48.8 282 282 A V H X4 S+ 0 0 4 -3,-1.0 3,-1.9 -30,-0.2 6,-0.3 0.948 118.4 43.7 -83.4 -49.9 -3.4 23.3 46.1 283 283 A I H 3< S+ 0 0 3 -4,-2.2 7,-0.3 1,-0.3 -2,-0.2 0.890 120.2 42.2 -66.0 -37.8 -1.4 22.3 43.0 284 284 A D T 3< S+ 0 0 94 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.1 0.322 97.1 116.5 -85.4 9.2 -1.4 18.6 44.0 285 285 A S S X S- 0 0 23 -3,-1.9 3,-2.0 -5,-0.1 -19,-0.1 -0.404 81.6-113.7 -78.5 156.2 -5.0 19.0 45.0 286 286 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.760 117.7 58.2 -55.9 -25.3 -7.8 17.1 43.3 287 287 A N T 3 S+ 0 0 53 -5,-0.1 -21,-2.4 -22,-0.1 2,-0.2 0.628 84.5 100.5 -83.6 -12.0 -9.1 20.5 42.0 288 288 A S B < +i 266 0B 18 -3,-2.0 -21,-0.2 -6,-0.3 3,-0.1 -0.532 43.3 178.2 -74.4 138.5 -5.8 21.2 40.2 289 289 A V > + 0 0 15 -23,-2.7 4,-2.7 -2,-0.2 5,-0.3 0.017 39.7 123.3-121.7 25.0 -5.8 20.5 36.4 290 290 A V H > S+ 0 0 0 -7,-0.3 4,-1.8 -24,-0.3 -1,-0.1 0.811 74.0 50.1 -66.1 -28.2 -2.2 21.7 35.7 291 291 A W H > S+ 0 0 147 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 113.5 44.7 -76.6 -43.2 -1.1 18.4 34.1 292 292 A D H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.888 114.9 50.6 -58.7 -39.3 -4.2 18.2 31.8 293 293 A Q H < S+ 0 0 0 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.918 111.1 47.5 -66.8 -41.1 -3.6 21.9 31.0 294 294 A A H >X S+ 0 0 24 -4,-1.8 3,-1.3 -5,-0.3 4,-0.5 0.934 108.7 54.6 -67.6 -39.4 0.0 21.2 30.2 295 295 A E H >X S+ 0 0 66 -4,-2.6 3,-1.7 1,-0.3 4,-1.0 0.895 97.7 64.6 -57.1 -41.9 -0.9 18.3 28.0 296 296 A N H 3X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.3 5,-0.4 0.622 84.2 74.7 -63.7 -12.2 -3.2 20.4 25.9 297 297 A R H <> S+ 0 0 1 -3,-1.3 4,-1.9 -4,-0.5 -1,-0.3 0.937 98.4 47.2 -61.8 -40.9 -0.2 22.4 24.8 298 298 A L H