==== 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 OXIDOREDUCTASE 14-MAR-92 1DR7 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.A.MCTIGUE,J.F.DAVIES /II,B.T.KAUFMAN,N.-H.XUONG,J.KRAUT . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 12.4 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 15 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 A V 0 0 65 0, 0.0 3,-0.1 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 175.8 1.0 -1.8 19.9 2 2 A R - 0 0 66 1,-0.3 128,-0.8 127,-0.1 2,-0.3 0.970 360.0 -24.2 -68.7 -55.7 -0.4 -3.6 16.8 3 3 A S E -a 130 0A 57 126,-0.1 109,-0.5 2,-0.0 -1,-0.3 -0.990 55.7-131.4-159.0 151.6 2.8 -3.6 14.6 4 4 A L E -a 131 0A 1 126,-2.7 128,-2.0 -2,-0.3 2,-0.4 -0.653 11.5-151.6-105.8 165.9 6.0 -1.8 14.1 5 5 A N E -ab 132 113A 11 107,-1.3 109,-2.8 -2,-0.2 2,-0.4 -0.994 9.8-167.3-131.3 140.1 7.6 -0.5 10.9 6 6 A S E -ab 133 114A 0 126,-2.4 128,-3.2 -2,-0.4 2,-0.4 -0.978 1.5-169.9-128.3 141.1 11.3 -0.1 10.4 7 7 A I E +a 134 0A 8 107,-1.9 2,-0.3 -2,-0.4 128,-0.2 -0.999 15.6 155.7-132.7 131.9 13.0 1.8 7.7 8 8 A V E -a 135 0A 9 126,-2.2 128,-2.3 -2,-0.4 2,-0.4 -0.985 32.3-141.5-146.5 158.1 16.7 1.7 6.9 9 9 A A E -a 136 0A 18 -2,-0.3 2,-0.4 126,-0.2 128,-0.2 -0.960 27.8-175.5-113.1 128.8 19.1 2.2 3.9 10 10 A V E -a 137 0A 0 126,-2.7 128,-3.2 -2,-0.4 6,-0.2 -0.971 17.0-147.3-130.9 146.8 22.1 -0.2 3.7 11 11 A C > - 0 0 2 4,-1.8 3,-1.7 -2,-0.4 130,-0.2 -0.201 54.6 -69.4 -92.9-171.7 25.2 -0.4 1.4 12 12 A Q T 3 S+ 0 0 123 128,-2.5 129,-0.1 1,-0.3 127,-0.1 0.798 132.2 45.8 -56.3 -40.8 26.7 -3.8 0.5 13 13 A N T 3 S- 0 0 72 129,-0.3 -1,-0.3 127,-0.2 3,-0.1 0.390 120.9-101.4 -84.2 7.5 28.2 -4.9 3.8 14 14 A M S < S+ 0 0 45 -3,-1.7 134,-3.1 1,-0.3 2,-0.3 0.722 70.6 158.1 78.7 19.1 24.9 -3.9 5.7 15 15 A G E +I 147 0B 0 132,-0.2 -4,-1.8 127,-0.2 132,-0.3 -0.607 20.8 176.0 -78.5 146.5 26.6 -0.6 6.8 16 16 A I E + 0 0 21 130,-2.9 2,-0.3 1,-0.3 131,-0.2 0.463 59.4 16.7-126.9 -12.2 24.3 2.2 7.7 17 17 A G E -I 146 0B 9 129,-1.4 128,-2.5 5,-0.2 129,-1.8 -0.994 47.1-162.2-158.4 169.2 26.6 4.9 8.9 18 18 A K B > S-J 21 0C 48 3,-3.1 3,-1.9 -2,-0.3 126,-0.1 -0.915 78.4 -12.6-158.9 121.1 30.1 6.3 9.1 19 19 A D T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 125,-0.0 0.837 128.6 -48.7 55.2 45.1 31.4 8.9 11.5 20 20 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.516 128.7 70.9 77.7 1.9 28.1 9.9 12.8 21 21 A N B < S-J 18 0C 92 -3,-1.9 -3,-3.1 1,-0.1 -1,-0.3 -0.731 93.2 -69.2-133.3-169.5 26.6 10.3 9.3 22 22 A L - 0 0 87 -5,-0.3 -5,-0.2 -2,-0.2 -6,-0.1 -0.474 38.2-126.3 -81.3 154.2 25.5 8.3 6.3 23 23 A P S S+ 0 0 21 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.711 89.0 55.7 -71.4 -23.9 28.2 6.5 4.3 24 24 A W S S- 0 0 13 1,-0.1 -2,-0.2 118,-0.1 3,-0.1 -0.804 88.1-107.8-114.5 156.8 27.1 8.0 1.0 25 25 A P - 0 0 92 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.169 68.6 -57.7 -67.2 170.6 26.7 11.6 -0.2 26 26 A P - 0 0 119 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.336 43.2-164.8 -68.8 135.4 23.1 12.7 -0.6 27 27 A L > - 0 0 13 1,-0.1 4,-2.0 -3,-0.1 3,-0.1 -0.996 10.3-155.4-110.6 113.4 20.6 10.8 -2.9 28 28 A R H > S+ 0 0 105 -2,-0.5 4,-2.3 1,-0.2 5,-0.3 0.951 90.9 48.5 -53.6 -58.1 17.5 13.1 -3.4 29 29 A N H > S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.803 108.3 53.4 -59.1 -31.9 15.1 10.3 -4.2 30 30 A E H > S+ 0 0 21 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.952 109.7 50.5 -69.5 -46.5 16.2 8.2 -1.3 31 31 A Y H >X S+ 0 0 129 -4,-2.0 4,-2.1 1,-0.2 3,-0.8 0.925 107.8 48.8 -52.9 -60.5 15.5 11.1 1.0 32 32 A K H 3X S+ 0 0 92 -4,-2.3 4,-2.7 1,-0.3 5,-0.2 0.835 106.8 60.1 -54.5 -32.5 12.0 12.0 -0.2 33 33 A Y H 3X S+ 0 0 18 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.3 0.884 107.1 46.1 -61.5 -38.4 11.2 8.2 0.1 34 34 A F H S- 0 0 70 3,-0.1 3,-1.6 0, 0.0 -2,-0.1 -0.960 85.8-106.7-159.9 132.8 -6.0 8.5 9.2 44 44 A E T 3 S+ 0 0 197 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.298 100.5 6.1 -67.2 135.0 -7.3 12.1 9.6 45 45 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.685 104.0 118.9 69.0 15.6 -6.0 14.1 12.4 46 46 A K < - 0 0 76 -3,-1.6 2,-0.3 -5,-0.1 -1,-0.3 -0.707 47.6-157.9-107.7 156.4 -3.5 11.4 13.3 47 47 A Q E -c 109 0A 69 61,-1.4 63,-4.0 -2,-0.3 2,-0.3 -0.916 17.0-119.0-130.0 155.4 0.3 11.7 13.2 48 48 A N E - d 0 70A 0 21,-0.7 23,-2.0 -2,-0.3 2,-0.4 -0.734 22.2-137.3 -96.4 155.9 3.0 9.1 12.9 49 49 A A E -cd 112 71A 0 62,-2.2 64,-3.1 -2,-0.3 2,-0.4 -0.892 11.9-158.7-112.7 136.3 5.6 8.5 15.6 50 50 A V E -cd 113 72A 0 21,-2.9 23,-2.6 -2,-0.4 2,-0.4 -0.971 3.4-159.5-116.5 138.7 9.3 8.0 14.9 51 51 A I E +cd 114 73A 0 62,-2.9 64,-2.7 -2,-0.4 2,-0.3 -0.923 20.7 156.7-118.5 134.0 11.6 6.3 17.3 52 52 A M E - d 0 74A 0 21,-1.9 23,-2.0 -2,-0.4 65,-0.3 -0.985 37.7-106.2-153.7 159.7 15.4 6.7 17.3 53 53 A G E > - d 0 75A 13 63,-1.9 4,-1.6 -2,-0.3 23,-0.1 -0.180 42.3-100.0 -76.8 175.5 18.5 6.4 19.4 54 54 A K H > S+ 0 0 66 21,-0.5 4,-1.9 2,-0.2 5,-0.2 0.804 119.0 54.0 -69.4 -44.1 20.5 9.4 20.7 55 55 A K H > S+ 0 0 145 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.963 109.9 49.4 -62.8 -42.6 23.2 9.4 18.1 56 56 A T H >> S+ 0 0 39 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.899 107.2 53.3 -60.8 -47.2 20.7 9.4 15.3 57 57 A W H >< S+ 0 0 0 -4,-1.6 3,-0.8 1,-0.3 -1,-0.2 0.911 111.6 46.1 -52.8 -46.0 18.7 12.4 16.7 58 58 A F H 3< S+ 0 0 106 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.619 99.1 69.7 -73.7 -18.7 21.9 14.4 16.9 59 59 A S H << S+ 0 0 51 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.807 83.4 90.8 -70.3 -25.5 22.9 13.4 13.4 60 60 A I S << S- 0 0 25 -4,-0.9 5,-0.1 -3,-0.8 -39,-0.0 -0.531 97.1-102.2 -73.8 132.6 20.0 15.5 12.3 61 61 A P > - 0 0 83 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.326 33.6-125.5 -56.3 130.1 20.9 19.1 11.5 62 62 A E G > S+ 0 0 129 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.819 108.7 53.7 -47.2 -49.3 19.7 21.1 14.5 63 63 A K G 3 S+ 0 0 170 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.710 106.5 58.3 -67.5 -11.9 17.6 23.6 12.6 64 64 A N G < S+ 0 0 105 -3,-1.9 -1,-0.3 3,-0.0 4,-0.2 0.206 87.7 143.8-101.0 14.5 15.9 20.5 11.1 65 65 A R < + 0 0 49 -3,-2.0 2,-0.2 2,-0.1 21,-0.1 -0.893 47.4 28.8-112.2 149.3 14.7 19.0 14.4 66 66 A P S S- 0 0 40 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.605 96.3-104.5 -80.1 164.1 12.3 17.5 15.2 67 67 A L > - 0 0 18 -2,-0.2 3,-1.2 1,-0.1 -2,-0.1 -0.431 50.2-111.3 -52.4 114.3 11.3 15.7 12.0 68 68 A K T 3 S+ 0 0 159 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.087 92.5 16.0 -49.1 139.8 8.3 17.9 11.0 69 69 A D T 3 S+ 0 0 86 1,-0.2 -21,-0.7 -3,-0.1 2,-0.3 0.553 108.7 85.4 68.7 16.9 4.9 16.4 11.2 70 70 A R E < S-d 48 0A 7 -3,-1.2 2,-0.7 -23,-0.2 -21,-0.2 -0.940 83.2-107.1-140.1 158.2 5.8 13.4 13.3 71 71 A I E -d 49 0A 10 -23,-2.0 -21,-2.9 -2,-0.3 2,-0.6 -0.822 37.8-145.7 -84.8 112.5 6.1 12.7 17.1 72 72 A N E -d 50 0A 0 -2,-0.7 15,-2.3 -23,-0.2 16,-1.4 -0.804 18.5-176.7 -86.4 118.3 9.8 12.4 17.7 73 73 A I E -de 51 88A 0 -23,-2.6 -21,-1.9 -2,-0.6 2,-0.4 -0.983 6.1-163.0-117.3 124.5 10.8 10.0 20.5 74 74 A V E -de 52 89A 0 14,-2.1 16,-2.0 -2,-0.5 2,-0.4 -0.889 8.1-146.4-105.1 137.2 14.5 9.6 21.5 75 75 A L E +de 53 90A 21 -23,-2.0 -21,-0.5 -2,-0.4 2,-0.3 -0.814 31.5 149.0-102.9 137.7 15.8 6.6 23.5 76 76 A S - 0 0 11 14,-2.1 16,-0.1 -2,-0.4 -2,-0.0 -0.792 39.3-159.4-170.1 131.6 18.6 7.2 26.0 77 77 A R S S+ 0 0 227 -2,-0.3 14,-0.1 1,-0.1 -1,-0.1 0.582 99.1 44.9 -84.9 -14.3 19.7 5.6 29.2 78 78 A E S S+ 0 0 157 13,-0.0 -1,-0.1 2,-0.0 13,-0.1 0.768 85.7 91.0-101.9 -39.3 21.7 8.7 30.1 79 79 A L - 0 0 56 1,-0.1 3,-0.1 11,-0.1 -3,-0.1 -0.414 52.5-160.6 -65.3 150.2 19.6 11.8 29.3 80 80 A K S S+ 0 0 133 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.813 77.5 18.2 -93.7 -45.5 17.5 13.2 32.1 81 81 A E S S- 0 0 70 7,-0.1 -1,-0.3 1,-0.0 3,-0.1 -0.847 100.2 -79.3-126.4 157.8 15.1 15.2 29.9 82 82 A A - 0 0 40 -2,-0.3 3,-0.2 7,-0.1 7,-0.1 -0.401 56.0-102.6 -58.1 135.6 14.3 15.1 26.2 83 83 A P > - 0 0 14 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.264 55.8 -75.9 -59.0 148.9 16.9 16.8 24.0 84 84 A K T 3 S+ 0 0 145 1,-0.3 3,-0.1 -3,-0.1 -19,-0.0 -0.268 124.0 20.0 -52.4 113.4 15.8 20.2 22.8 85 85 A G T 3 S+ 0 0 28 1,-0.5 -1,-0.3 -3,-0.2 -13,-0.2 -0.138 94.6 114.4 111.3 -32.8 13.3 19.6 20.0 86 86 A A < - 0 0 17 -3,-2.5 -1,-0.5 1,-0.1 -13,-0.2 -0.250 57.2-146.7 -67.1 158.5 12.3 16.0 20.9 87 87 A H S S+ 0 0 84 -15,-2.3 2,-0.3 1,-0.4 -14,-0.2 0.696 77.8 9.0 -91.8 -35.2 8.7 15.4 22.0 88 88 A Y E -e 73 0A 91 -16,-1.4 -14,-2.1 -5,-0.1 2,-0.4 -0.979 59.0-149.0-153.2 149.2 9.5 12.5 24.4 89 89 A L E -e 74 0A 19 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.886 20.6-175.7-118.6 139.4 12.4 10.8 25.9 90 90 A S E -e 75 0A 4 -16,-2.0 -14,-2.1 -2,-0.4 -11,-0.1 -0.971 27.1-145.0-142.6 152.0 12.3 7.1 26.8 91 91 A K S S+ 0 0 110 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.604 81.4 3.4 -92.2 -21.2 14.7 4.8 28.5 92 92 A S S > S- 0 0 39 1,-0.1 4,-1.9 -16,-0.1 -1,-0.1 -0.929 76.4-100.3-156.4 174.8 14.0 1.6 26.5 93 93 A L H > S+ 0 0 9 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.934 122.8 55.3 -66.7 -43.0 12.0 0.4 23.6 94 94 A D H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 106.1 48.6 -51.5 -52.7 9.5 -1.0 26.1 95 95 A D H > S+ 0 0 82 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.924 111.7 51.6 -54.2 -46.1 9.0 2.4 27.8 96 96 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.927 109.9 48.6 -56.5 -49.0 8.5 3.9 24.3 97 97 A L H X S+ 0 0 19 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.974 113.5 46.7 -59.2 -51.3 5.9 1.3 23.4 98 98 A A H X S+ 0 0 57 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.920 108.5 54.5 -51.9 -54.1 4.0 1.9 26.7 99 99 A L H >< S+ 0 0 36 -4,-3.4 3,-1.2 1,-0.2 6,-0.3 0.961 107.6 52.9 -49.0 -48.6 4.2 5.7 26.3 100 100 A L H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.897 104.6 53.0 -56.3 -44.9 2.6 5.2 22.9 101 101 A D H 3< S+ 0 0 106 -4,-1.8 -1,-0.3 4,-0.1 -2,-0.2 0.654 88.0 114.5 -64.4 -20.0 -0.3 3.1 24.3 102 102 A S S S+ 0 0 117 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.917 117.0 44.4 -41.6 -66.7 -4.3 7.9 26.6 104 104 A E H 4 S+ 0 0 57 1,-0.2 4,-0.3 2,-0.2 -4,-0.1 0.725 125.8 32.8 -54.3 -34.6 -3.0 11.1 25.2 105 105 A L H >> S+ 0 0 6 -3,-0.4 4,-1.3 -6,-0.3 3,-1.1 0.829 103.1 75.2 -90.9 -43.7 -0.8 9.3 22.6 106 106 A K H 3< S+ 0 0 35 -4,-4.8 3,-0.5 1,-0.3 -2,-0.2 0.842 108.3 33.4 -32.2 -53.4 -3.1 6.4 22.1 107 107 A S T 3< S+ 0 0 83 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.618 113.4 55.8 -84.3 -23.2 -5.3 8.7 20.0 108 108 A K T <4 S+ 0 0 48 -3,-1.1 -61,-1.4 -4,-0.3 2,-0.5 0.468 94.8 81.3 -90.6 -5.1 -2.8 11.1 18.4 109 109 A V E < + c 0 47A 14 -4,-1.3 -61,-0.2 -3,-0.5 3,-0.1 -0.935 42.2 172.2-119.3 128.1 -0.7 8.4 16.7 110 110 A D E + 0 0 48 -63,-4.0 2,-0.3 -2,-0.5 -62,-0.2 0.927 68.0 7.3 -89.8 -85.7 -1.1 6.5 13.5 111 111 A M E - 0 0 31 -73,-0.1 -62,-2.2 -107,-0.0 2,-0.5 -0.791 63.8-137.9-104.3 152.0 1.9 4.4 12.5 112 112 A V E - c 0 49A 10 -109,-0.5 -107,-1.3 -2,-0.3 2,-0.4 -0.957 20.4-168.7-107.3 124.2 5.0 3.8 14.6 113 113 A W E -bc 5 50A 5 -64,-3.1 -62,-2.9 -2,-0.5 2,-0.6 -0.951 14.7-149.5-120.9 127.9 8.4 3.9 12.7 114 114 A I E +bc 6 51A 0 -109,-2.8 -107,-1.9 -2,-0.4 -62,-0.2 -0.921 15.9 179.1 -92.7 116.0 11.8 2.8 14.0 115 115 A V - 0 0 16 -64,-2.7 -63,-0.2 -2,-0.6 -1,-0.1 0.119 37.5-163.7-109.2 15.7 14.4 4.9 12.3 116 116 A G - 0 0 1 -65,-0.3 -63,-1.9 1,-0.3 -1,-0.4 -0.200 51.9-150.3 94.0-176.7 17.5 3.4 14.0 117 117 A G > - 0 0 17 -65,-0.3 4,-2.6 -61,-0.1 3,-0.5 0.268 61.2 -88.1 -85.8-155.1 20.3 3.1 15.0 118 118 A T H > S+ 0 0 52 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.858 125.1 45.3 -39.9 -60.5 21.6 -0.5 15.4 119 119 A A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.826 113.2 50.9 -60.5 -40.4 20.4 -1.1 19.0 120 120 A V H > S+ 0 0 10 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.973 112.7 45.8 -61.5 -51.5 16.9 0.4 18.3 121 121 A Y H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.906 113.6 50.1 -52.6 -51.5 16.5 -1.8 15.2 122 122 A K H X S+ 0 0 107 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.898 110.9 47.8 -55.1 -50.6 17.7 -4.8 17.0 123 123 A A H X S+ 0 0 33 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.944 113.7 47.2 -56.5 -52.4 15.4 -4.3 20.0 124 124 A A H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 5,-0.2 0.895 108.3 58.2 -58.9 -40.7 12.4 -3.7 17.7 125 125 A M H 3< S+ 0 0 14 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.911 104.9 48.5 -57.9 -45.8 13.3 -6.8 15.7 126 126 A E H 3< S+ 0 0 119 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.626 82.9 105.7 -70.3 -23.0 13.1 -9.2 18.6 127 127 A K S << S- 0 0 31 -3,-0.9 2,-1.9 -4,-0.9 -3,-0.0 -0.476 77.8-127.1 -62.3 134.6 9.7 -8.0 19.9 128 128 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.583 71.5 115.0 -85.4 66.5 7.2 -10.7 19.0 129 129 A I S S- 0 0 26 -2,-1.9 -126,-0.1 -5,-0.2 -127,-0.1 -0.935 80.4 -83.0-133.0 156.6 5.0 -8.2 17.3 130 130 A N E +a 3 0A 62 -128,-0.8 -126,-2.7 -2,-0.3 2,-0.3 -0.332 59.3 174.8 -57.1 135.9 3.9 -7.8 13.7 131 131 A H E -aF 4 184A 3 53,-2.0 53,-3.5 -128,-0.3 2,-0.4 -0.964 25.0-159.6-158.6 137.7 6.6 -5.8 11.9 132 132 A R E -aF 5 183A 81 -128,-2.0 -126,-2.4 -2,-0.3 2,-0.5 -0.977 11.4-154.9-125.3 130.8 7.4 -4.7 8.4 133 133 A L E -aF 6 182A 0 49,-2.4 49,-2.4 -2,-0.4 2,-0.6 -0.960 2.0-162.2-115.4 120.3 10.9 -3.7 7.4 134 134 A F E -aF 7 181A 3 -128,-3.2 -126,-2.2 -2,-0.5 2,-0.4 -0.927 18.0-176.9-104.0 108.4 11.4 -1.3 4.5 135 135 A V E -aF 8 180A 4 45,-2.8 45,-2.4 -2,-0.6 2,-0.7 -0.951 21.3-156.7-112.5 133.3 15.0 -1.6 3.3 136 136 A T E -aF 9 179A 0 -128,-2.3 -126,-2.7 -2,-0.4 2,-0.8 -0.963 16.3-155.0-102.4 110.8 16.8 0.4 0.6 137 137 A R E -aF 10 178A 42 41,-3.3 41,-1.7 -2,-0.7 2,-0.7 -0.845 2.0-157.2 -88.7 108.2 19.7 -1.8 -0.7 138 138 A I E - F 0 177A 2 -128,-3.2 2,-1.7 -2,-0.8 39,-0.3 -0.745 13.6-141.2 -85.4 111.8 22.3 0.6 -2.2 139 139 A L + 0 0 41 37,-2.1 2,-0.3 -2,-0.7 -1,-0.1 -0.065 68.6 84.7 -71.8 39.8 24.3 -1.7 -4.6 140 140 A H S S- 0 0 54 -2,-1.7 -128,-2.5 35,-0.1 2,-0.8 -0.901 77.0-115.9-141.6 163.0 27.7 -0.2 -3.7 141 141 A E + 0 0 110 -2,-0.3 2,-0.4 -130,-0.2 -2,-0.1 -0.890 38.0 164.5-102.7 102.9 30.5 -0.5 -1.2 142 142 A F - 0 0 53 -2,-0.8 -129,-0.3 -127,-0.1 2,-0.2 -0.950 46.7-102.3-112.0 143.2 30.9 2.6 0.9 143 143 A E - 0 0 141 -2,-0.4 2,-0.3 -120,-0.2 -2,-0.0 -0.424 46.4-177.8 -68.0 133.7 33.0 2.3 4.0 144 144 A S - 0 0 22 -2,-0.2 -126,-0.3 1,-0.1 3,-0.1 -0.953 31.2-167.9-132.5 150.8 30.8 2.2 7.1 145 145 A D S S+ 0 0 66 -128,-2.5 2,-0.4 -2,-0.3 -127,-0.2 0.312 79.8 59.0-117.3 -0.7 31.6 2.0 10.8 146 146 A T E -I 17 0B 41 -129,-1.8 -130,-2.9 -28,-0.0 -129,-1.4 -0.995 69.1-163.6-135.2 142.0 28.0 1.1 11.8 147 147 A F E -I 15 0B 91 -2,-0.4 -132,-0.2 -132,-0.3 -133,-0.1 -0.875 24.8-108.6-133.1 157.9 25.9 -1.8 10.7 148 148 A F - 0 0 13 -134,-3.1 3,-0.1 -2,-0.3 -30,-0.1 -0.624 47.2-108.7 -80.5 134.2 22.4 -3.2 10.4 149 149 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.097 44.9 -86.3 -52.6 161.0 21.7 -6.0 12.8 150 150 A E - 0 0 197 -3,-0.1 2,-0.4 1,-0.0 -136,-0.0 -0.569 44.8-138.2 -75.7 130.6 21.4 -9.5 11.3 151 151 A I - 0 0 25 -2,-0.3 2,-1.2 -3,-0.1 -1,-0.0 -0.788 13.2-120.5 -96.6 135.8 17.8 -10.3 10.2 152 152 A D >> - 0 0 55 -2,-0.4 4,-3.2 1,-0.2 3,-1.6 -0.663 19.9-164.8 -78.7 95.4 16.2 -13.6 10.8 153 153 A Y T 34 S+ 0 0 146 -2,-1.2 -1,-0.2 1,-0.3 5,-0.1 0.515 88.8 59.4 -57.4 -13.2 15.3 -14.9 7.3 154 154 A K T 34 S+ 0 0 143 3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.761 115.8 32.3 -84.7 -30.4 13.0 -17.4 9.0 155 155 A D T <4 S+ 0 0 78 -3,-1.6 2,-0.9 1,-0.2 30,-0.5 0.877 114.2 57.4 -90.6 -49.9 11.0 -14.7 10.6 156 156 A F E < S-G 184 0A 7 -4,-3.2 2,-0.4 28,-0.1 28,-0.2 -0.815 71.7-162.4 -89.6 110.0 11.2 -11.9 8.1 157 157 A K E -G 183 0A 126 26,-2.5 26,-2.7 -2,-0.9 2,-0.4 -0.747 20.4-123.5 -94.9 135.5 9.8 -13.0 4.7 158 158 A L E -G 182 0A 87 -2,-0.4 24,-0.3 24,-0.3 2,-0.3 -0.684 25.0-134.8 -74.3 122.1 10.8 -10.8 1.7 159 159 A L - 0 0 45 22,-3.7 22,-0.5 -2,-0.4 3,-0.1 -0.607 2.5-148.3 -77.7 145.7 7.6 -9.7 -0.1 160 160 A T S S+ 0 0 148 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.771 82.1 12.4 -83.7 -27.3 7.7 -10.0 -3.9 161 161 A E + 0 0 151 20,-0.1 -1,-0.2 -3,-0.0 19,-0.0 -0.997 60.4 177.4-148.7 155.1 5.4 -6.9 -4.2 162 162 A Y > - 0 0 53 3,-0.4 3,-1.7 -2,-0.3 2,-0.3 -0.930 42.1 -90.9-158.9 134.0 4.1 -4.1 -2.1 163 163 A P T 3 S+ 0 0 98 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.154 106.2 2.9 -47.9 109.2 1.9 -1.1 -3.0 164 164 A G T 3 S+ 0 0 74 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 0.700 97.4 114.9 88.1 20.3 3.8 2.0 -4.0 165 165 A V < - 0 0 19 -3,-1.7 -3,-0.4 14,-0.0 -1,-0.2 -0.961 67.3-130.0-123.2 105.2 7.3 0.5 -3.8 166 166 A P - 0 0 56 0, 0.0 13,-0.3 0, 0.0 4,-0.1 -0.232 15.0-156.5 -47.5 148.4 8.9 0.4 -7.2 167 167 A A + 0 0 82 2,-0.1 2,-0.1 11,-0.1 3,-0.1 0.593 61.2 87.4-106.0 -19.1 10.2 -3.1 -7.8 168 168 A D S S- 0 0 123 1,-0.1 11,-0.3 10,-0.1 2,-0.2 -0.478 92.0 -89.3 -78.2 160.4 12.9 -2.4 -10.4 169 169 A I - 0 0 92 -2,-0.1 9,-0.2 9,-0.1 2,-0.2 -0.429 48.7-152.1 -62.4 129.5 16.5 -1.5 -9.7 170 170 A Q E -H 177 0A 52 7,-3.7 7,-1.5 -2,-0.2 2,-0.3 -0.549 8.6-159.7-103.2 170.2 16.7 2.3 -9.4 171 171 A E E +H 176 0A 131 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.975 18.2 157.1-151.9 145.5 19.6 4.6 -10.2 172 172 A E E > S+H 175 0A 22 3,-2.3 3,-2.9 -2,-0.3 -2,-0.0 -0.926 72.9 8.9-169.1 137.3 20.5 8.2 -9.2 173 173 A D T 3 S- 0 0 117 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 0.755 130.2 -61.5 51.2 36.3 23.9 9.9 -9.1 174 174 A G T 3 S+ 0 0 52 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.378 115.8 108.5 78.4 4.1 25.4 6.9 -10.8 175 175 A I E < - H 0 172A 31 -3,-2.9 -3,-2.3 -35,-0.0 2,-0.3 -0.904 56.0-148.8-112.0 142.6 24.5 4.5 -8.0 176 176 A Q E + H 0 171A 84 -2,-0.4 -37,-2.1 -5,-0.2 2,-0.3 -0.831 20.6 167.6-108.3 157.9 21.8 1.9 -8.2 177 177 A Y E -FH 138 170A 6 -7,-1.5 -7,-3.7 -2,-0.3 2,-0.3 -0.907 20.1-141.8-154.9 167.6 19.7 0.6 -5.4 178 178 A K E -F 137 0A 67 -41,-1.7 -41,-3.3 -2,-0.3 2,-0.4 -0.983 14.1-130.0-137.6 147.4 16.5 -1.5 -4.8 179 179 A F E -F 136 0A 19 -13,-0.3 2,-0.3 -2,-0.3 -43,-0.2 -0.811 29.1-178.7 -97.3 136.5 13.6 -1.2 -2.4 180 180 A E E -F 135 0A 17 -45,-2.4 -45,-2.8 -2,-0.4 2,-0.4 -0.951 14.3-158.6-138.9 146.3 12.7 -4.4 -0.4 181 181 A V E -F 134 0A 5 -22,-0.5 -22,-3.7 -2,-0.3 2,-0.3 -0.999 7.5-172.5-132.2 122.3 10.0 -5.1 2.1 182 182 A Y E -FG 133 158A 10 -49,-2.4 -49,-2.4 -2,-0.4 2,-0.4 -0.848 10.5-152.9-112.0 151.6 10.2 -8.0 4.6 183 183 A Q E -FG 132 157A 52 -26,-2.7 -26,-2.5 -2,-0.3 2,-0.5 -0.994 7.9-161.4-136.5 129.1 7.4 -9.0 6.8 184 184 A K E -FG 131 156A 21 -53,-3.5 -53,-2.0 -2,-0.4 2,-0.5 -0.937 12.4-161.4-110.1 129.6 7.2 -10.6 10.2 185 185 A S 0 0 84 -30,-0.5 -55,-0.1 -2,-0.5 -2,-0.0 -0.962 360.0 360.0-117.0 123.8 4.0 -12.3 11.3 186 186 A V 0 0 111 -2,-0.5 -1,-0.1 -58,-0.0 -57,-0.1 0.715 360.0 360.0-108.1 360.0 3.1 -13.1 14.9