==== 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 14-JAN-04 1S3U . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CODY,J.R.LUFT,W.PANGBORN,A.GANGJEE,S.F.QUEENER . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 62.4 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 . 13 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 15.6 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 0 0 2 0 0 1 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 0 2 0 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 PARALLEL BRIDGES PER LADDER . 1 2 1 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 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 59 0, 0.0 110,-0.2 0, 0.0 109,-0.2 0.000 360.0 360.0 360.0 122.6 8.9 21.8 1.4 2 2 A G - 0 0 49 108,-8.0 109,-0.2 1,-0.3 2,-0.1 0.442 360.0 -0.3 -85.5-124.1 9.0 20.8 -2.2 3 3 A S - 0 0 49 1,-0.1 109,-3.5 128,-0.0 2,-0.5 -0.418 54.1-137.5 -72.7 142.9 10.7 17.5 -3.2 4 4 A L E +a 112 0A 22 126,-0.4 128,-1.3 107,-0.2 2,-0.3 -0.889 35.2 167.7-101.2 119.9 12.4 14.8 -1.2 5 5 A N E -ab 113 132A 4 107,-2.7 109,-2.9 -2,-0.5 2,-0.4 -0.948 27.7-150.9-135.6 155.8 15.6 13.5 -2.9 6 6 A C E -ab 114 133A 2 126,-2.5 128,-2.1 -2,-0.3 2,-0.4 -0.916 13.5-163.3-119.2 143.8 18.7 11.4 -2.0 7 7 A I E + b 0 134A 5 107,-1.9 2,-0.3 -2,-0.4 128,-0.2 -0.974 18.8 160.7-132.6 133.3 22.0 12.0 -3.8 8 8 A V E - b 0 135A 8 126,-1.8 128,-3.1 -2,-0.4 2,-0.4 -0.991 35.3-148.1-154.0 153.0 24.8 9.5 -3.7 9 9 A A E - b 0 136A 17 -2,-0.3 2,-0.3 126,-0.2 128,-0.2 -0.985 29.5-179.5-117.7 125.3 28.1 8.3 -5.5 10 10 A V E - b 0 137A 0 126,-2.1 128,-2.4 -2,-0.4 6,-0.2 -0.977 19.5-136.2-131.5 140.4 28.4 4.5 -5.3 11 11 A S > - 0 0 2 4,-1.1 3,-1.0 -2,-0.3 130,-0.2 -0.153 43.1 -87.9 -84.2-178.5 31.3 2.4 -6.6 12 12 A Q T 3 S+ 0 0 123 128,-3.1 129,-0.2 1,-0.2 127,-0.1 0.732 130.4 52.4 -65.0 -33.1 30.7 -0.8 -8.5 13 13 A N T 3 S- 0 0 57 127,-0.3 -1,-0.2 129,-0.2 128,-0.1 0.363 125.2-103.3 -80.9 1.2 30.7 -3.0 -5.2 14 14 A M < + 0 0 48 -3,-1.0 134,-2.1 1,-0.2 2,-0.4 0.779 67.1 162.0 78.7 35.6 28.1 -0.5 -3.9 15 15 A G E +I 147 0B 0 132,-0.2 -4,-1.1 127,-0.1 132,-0.3 -0.692 22.7 171.5 -87.3 124.2 30.6 1.3 -1.7 16 16 A I E + 0 0 24 130,-2.4 2,-0.3 -2,-0.4 131,-0.2 0.621 64.4 3.6-107.2 -14.3 29.9 4.8 -0.3 17 17 A G E -I 146 0B 7 129,-1.0 128,-3.0 5,-0.2 129,-1.4 -0.987 44.3-155.1-167.3 155.9 32.8 5.3 2.1 18 18 A K B > S-J 21 0C 63 3,-4.1 3,-2.0 -2,-0.3 126,-0.0 -0.905 87.5 -20.9-138.0 113.9 35.9 4.0 3.6 19 19 A N T 3 S- 0 0 130 -2,-0.4 3,-0.1 1,-0.3 125,-0.0 0.779 125.5 -53.4 52.3 43.5 36.9 5.2 7.1 20 20 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.521 125.5 102.8 70.7 3.5 34.8 8.2 6.7 21 21 A D B < S-J 18 0C 113 -3,-2.0 -3,-4.1 39,-0.0 -1,-0.3 -0.743 84.0 -98.1-110.6 164.9 36.6 8.9 3.5 22 22 A L - 0 0 61 -2,-0.3 -5,-0.2 -5,-0.3 -6,-0.1 -0.644 31.5-124.0 -76.9 143.6 35.3 8.3 -0.1 23 23 A P S S+ 0 0 14 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.595 89.6 46.9 -63.7 -12.7 36.6 5.0 -1.6 24 24 A W S S- 0 0 12 1,-0.1 -2,-0.2 118,-0.1 3,-0.1 -0.833 98.4 -78.5-127.6 166.5 38.0 6.8 -4.7 25 25 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.111 66.5 -78.2 -61.6 157.1 40.2 9.9 -5.4 26 26 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.365 41.6-154.8 -58.4 143.7 38.5 13.3 -5.4 27 27 A L >> - 0 0 1 1,-0.1 4,-2.6 -3,-0.1 3,-1.9 -0.861 4.2-164.1-132.3 92.0 36.4 14.0 -8.5 28 28 A R H 3> S+ 0 0 126 -2,-0.4 4,-1.4 1,-0.3 -1,-0.1 0.729 90.8 46.3 -40.9 -37.4 36.1 17.7 -9.0 29 29 A N H 3> S+ 0 0 74 2,-0.2 4,-0.9 3,-0.2 -1,-0.3 0.640 109.4 54.4 -85.5 -24.3 33.2 17.4 -11.5 30 30 A E H <> S+ 0 0 17 -3,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.910 111.0 47.7 -75.7 -40.2 31.4 14.9 -9.3 31 31 A F H X S+ 0 0 84 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.865 109.4 51.3 -64.1 -44.6 31.7 17.5 -6.5 32 32 A R H X S+ 0 0 163 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.769 111.7 48.6 -62.3 -36.2 30.4 20.4 -8.8 33 33 A Y H X S+ 0 0 12 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.880 111.0 48.6 -70.0 -44.9 27.5 18.2 -9.7 34 34 A F H X S+ 0 0 39 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.908 116.1 45.1 -64.6 -47.2 26.7 17.4 -6.1 35 35 A Q H X S+ 0 0 71 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.909 113.0 48.9 -65.6 -47.9 27.0 21.1 -5.2 36 36 A R H X S+ 0 0 110 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.964 114.1 46.5 -57.5 -48.7 24.9 22.4 -8.1 37 37 A M H < S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.882 116.9 41.3 -61.0 -49.5 22.1 19.9 -7.5 38 38 A T H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.734 119.3 45.5 -74.6 -28.1 21.8 20.4 -3.8 39 39 A T H < S+ 0 0 49 -4,-2.1 2,-0.8 -5,-0.2 9,-0.2 0.692 87.4 93.7 -89.3 -23.8 22.2 24.2 -4.0 40 40 A T < - 0 0 81 -4,-1.5 2,-0.4 -5,-0.2 7,-0.1 -0.666 62.1-152.1 -80.0 106.0 19.9 25.1 -6.8 41 41 A S - 0 0 38 -2,-0.8 4,-0.1 5,-0.2 -2,-0.1 -0.644 14.3-148.2 -86.6 132.1 16.4 26.1 -5.7 42 42 A S S S+ 0 0 80 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.421 88.0 52.1 -73.2 1.4 13.5 25.5 -8.0 43 43 A V S > S- 0 0 59 3,-0.1 3,-1.4 0, 0.0 -1,-0.1 -0.950 85.8-119.6-143.8 130.4 11.9 28.6 -6.4 44 44 A E T 3 S+ 0 0 186 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.122 98.2 25.3 -65.0 155.2 13.2 32.2 -5.8 45 45 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.347 106.9 101.4 74.4 -4.6 13.5 33.4 -2.2 46 46 A K < - 0 0 63 -3,-1.4 2,-0.3 -5,-0.0 -1,-0.2 -0.713 57.1-148.1-115.2 160.3 13.8 29.8 -1.0 47 47 A Q E -c 109 0A 87 61,-2.8 63,-3.0 -2,-0.3 2,-0.3 -0.862 18.3-119.2-121.2 157.5 16.6 27.6 0.1 48 48 A N E - 0 0 1 21,-0.5 23,-2.4 -2,-0.3 2,-0.4 -0.695 22.5-140.6 -90.4 147.6 17.3 23.8 -0.1 49 49 A L E -cd 112 71A 0 62,-1.9 64,-3.3 -2,-0.3 2,-0.5 -0.951 11.8-157.7-107.5 130.4 17.7 21.8 3.1 50 50 A V E -cd 113 72A 0 21,-2.4 23,-2.2 -2,-0.4 2,-0.4 -0.970 7.8-158.9-114.9 124.4 20.4 19.0 3.1 51 51 A I E +cd 114 73A 0 62,-3.4 64,-2.3 -2,-0.5 65,-0.5 -0.891 19.8 159.5-111.3 133.8 20.0 16.3 5.6 52 52 A M E -cd 116 74A 0 21,-2.0 23,-2.7 -2,-0.4 65,-0.3 -0.982 36.2-108.9-152.8 160.3 22.8 14.1 6.8 53 53 A G E > - d 0 75A 8 63,-1.3 4,-2.3 -2,-0.3 23,-0.2 -0.314 41.8-102.3 -79.6 169.0 24.0 11.8 9.6 54 54 A K H > S+ 0 0 72 21,-0.8 4,-2.5 2,-0.2 5,-0.1 0.864 121.4 54.4 -65.7 -39.9 26.7 12.7 12.1 55 55 A K H > S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.960 110.4 44.6 -62.9 -49.3 29.2 10.5 10.2 56 56 A T H >> S+ 0 0 27 2,-0.2 3,-1.1 1,-0.2 4,-0.6 0.905 110.8 54.7 -57.7 -49.4 28.6 12.2 6.9 57 57 A W H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.917 112.1 43.6 -51.0 -52.8 28.7 15.7 8.5 58 58 A F H 3< S+ 0 0 110 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.539 102.2 69.1 -74.5 -9.2 32.1 14.9 10.0 59 59 A S H << S+ 0 0 52 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.571 84.1 84.2 -81.5 -10.5 33.3 13.3 6.7 60 60 A I S << S- 0 0 30 -3,-1.2 5,-0.1 -4,-0.6 -39,-0.0 -0.723 95.4 -99.7 -92.0 138.7 33.4 16.7 4.9 61 61 A P > - 0 0 82 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.378 29.6-126.8 -61.5 135.0 36.4 19.0 5.2 62 62 A E G > S+ 0 0 142 1,-0.3 3,-2.8 2,-0.2 -2,-0.0 0.814 109.8 69.4 -44.3 -43.9 35.6 21.7 7.8 63 63 A K G 3 S+ 0 0 174 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.789 106.4 41.6 -50.7 -26.4 36.6 24.3 5.2 64 64 A N G < S+ 0 0 50 -3,-1.9 -1,-0.3 3,-0.1 -2,-0.2 0.253 92.2 132.4-107.4 5.8 33.5 23.1 3.5 65 65 A R < + 0 0 45 -3,-2.8 2,-0.2 2,-0.1 21,-0.1 -0.960 61.7 33.5-111.0 131.6 31.2 22.8 6.5 66 66 A P S S- 0 0 43 0, 0.0 2,-0.5 0, 0.0 20,-0.1 0.627 97.5-118.6 -76.1 165.7 28.4 23.9 6.5 67 67 A L > - 0 0 7 -2,-0.2 3,-1.0 -17,-0.1 -2,-0.1 -0.700 41.9-128.5 -68.2 115.2 27.6 23.4 2.8 68 68 A K T 3 S+ 0 0 167 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.323 85.0 32.2 -73.7 161.8 27.0 26.9 1.9 69 69 A G T 3 S+ 0 0 40 1,-0.1 -21,-0.5 -2,-0.1 2,-0.3 0.303 112.0 77.4 79.3 1.8 23.9 28.2 0.2 70 70 A R S < S- 0 0 13 -3,-1.0 2,-0.4 -23,-0.1 -21,-0.2 -0.962 86.0-106.4-139.0 153.3 21.9 25.5 1.9 71 71 A I E -d 49 0A 13 -23,-2.4 -21,-2.4 -2,-0.3 2,-0.5 -0.664 36.6-144.9 -80.9 124.0 20.3 24.7 5.4 72 72 A N E +d 50 0A 0 -2,-0.4 16,-1.4 -23,-0.2 15,-1.0 -0.805 20.0 180.0 -95.4 128.3 22.4 22.0 7.1 73 73 A L E -de 51 88A 0 -23,-2.2 -21,-2.0 -2,-0.5 2,-0.4 -0.990 9.9-160.3-128.1 117.2 20.5 19.5 9.2 74 74 A V E -de 52 89A 0 14,-2.3 16,-2.0 -2,-0.4 2,-0.5 -0.761 9.4-144.3-100.5 145.1 22.4 16.7 11.0 75 75 A L E +de 53 90A 21 -23,-2.7 -21,-0.8 -2,-0.4 2,-0.3 -0.982 36.8 143.2-112.2 121.0 20.5 13.7 12.1 76 76 A S - 0 0 10 14,-3.2 -2,-0.0 -2,-0.5 16,-0.0 -0.972 39.4-164.8-157.2 151.5 21.7 12.1 15.4 77 77 A R S S+ 0 0 220 -2,-0.3 14,-0.1 0, 0.0 -1,-0.1 0.566 95.8 48.2-112.4 -11.9 20.2 10.5 18.4 78 78 A E S S+ 0 0 148 13,-0.0 2,-0.1 2,-0.0 13,-0.1 0.754 91.5 85.1 -98.3 -28.8 23.3 10.8 20.6 79 79 A L - 0 0 44 1,-0.2 -3,-0.1 12,-0.0 -25,-0.0 -0.537 56.0-166.1 -73.8 144.9 24.1 14.5 20.0 80 80 A K S S+ 0 0 196 1,-0.3 -1,-0.2 -2,-0.1 9,-0.1 0.554 76.6 26.6-103.0 -18.8 22.2 16.9 22.3 81 81 A E S S- 0 0 145 7,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.985 96.8 -86.2-143.3 151.8 23.1 19.9 20.2 82 82 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 7,-0.1 -0.230 54.6-101.0 -52.8 137.2 24.0 20.6 16.5 83 83 A P > - 0 0 13 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.091 55.0 -75.2 -54.2 162.2 27.7 20.1 15.7 84 84 A Q T 3 S+ 0 0 178 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.426 123.3 18.8 -58.2 132.1 29.7 23.3 15.5 85 85 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.122 100.3 112.0 94.2 -19.5 28.9 25.0 12.1 86 86 A A < - 0 0 16 -3,-1.9 -1,-0.3 1,-0.1 -13,-0.1 -0.516 57.4-147.4 -85.1 159.2 25.5 23.2 11.6 87 87 A H S S+ 0 0 89 -15,-1.0 2,-0.3 1,-0.2 -14,-0.2 0.838 70.6 10.6 -96.4 -39.9 22.1 24.8 11.7 88 88 A F E -e 73 0A 50 -16,-1.4 -14,-2.3 -7,-0.1 2,-0.4 -0.945 55.4-153.4-142.8 160.7 19.6 22.1 13.1 89 89 A L E -e 74 0A 28 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.995 13.6-176.5-131.8 139.6 19.7 18.7 14.7 90 90 A S E -e 75 0A 9 -16,-2.0 -14,-3.2 -2,-0.4 3,-0.1 -0.875 30.6-142.0-134.4 162.2 17.0 16.1 14.6 91 91 A R S S- 0 0 105 -2,-0.3 2,-0.3 -16,-0.2 -1,-0.1 0.754 87.9 -0.3 -88.1 -32.6 16.6 12.7 16.1 92 92 A S > - 0 0 35 -3,-0.0 4,-1.6 1,-0.0 -1,-0.2 -0.895 69.7-106.6-150.3 174.7 15.0 11.3 12.9 93 93 A L H > S+ 0 0 2 -2,-0.3 4,-1.5 2,-0.2 5,-0.2 0.723 120.3 58.7 -77.3 -27.6 13.8 12.2 9.3 94 94 A D H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 112.3 41.0 -66.8 -42.4 10.2 12.1 10.6 95 95 A D H > S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.801 111.8 53.5 -75.9 -32.5 11.3 14.8 13.0 96 96 A A H < S+ 0 0 0 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.788 112.2 45.9 -69.8 -32.4 13.5 16.8 10.5 97 97 A L H >X S+ 0 0 13 -4,-1.5 3,-2.1 2,-0.2 4,-1.9 0.940 107.0 55.1 -76.1 -55.5 10.6 17.0 8.1 98 98 A K H 3< S+ 0 0 95 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.810 104.7 58.7 -48.5 -31.9 8.0 18.0 10.7 99 99 A L T 3< S+ 0 0 22 -4,-1.2 6,-0.8 1,-0.2 3,-0.3 0.733 103.8 49.2 -62.0 -34.9 10.5 20.8 11.4 100 100 A T T <4 S+ 0 0 2 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.762 105.0 58.5 -72.6 -34.5 10.1 21.9 7.8 101 101 A E S < S+ 0 0 135 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.448 91.5 95.8 -83.6 4.8 6.4 21.7 8.4 102 102 A Q S > S- 0 0 82 -3,-0.3 4,-1.3 -5,-0.3 3,-0.5 -0.584 92.1-116.2 -81.8 159.8 6.9 24.3 11.3 103 103 A P T 4 S+ 0 0 111 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.549 109.2 79.7 -74.2 -2.0 6.4 28.0 10.6 104 104 A E T 4 S+ 0 0 112 -5,-0.3 -4,-0.1 1,-0.2 3,-0.1 0.991 119.1 2.3 -63.6 -62.7 10.1 28.1 11.3 105 105 A L T >> S+ 0 0 14 -6,-0.8 4,-1.3 -3,-0.5 3,-0.6 0.228 108.0 112.0-106.6 2.5 11.4 26.8 7.9 106 106 A A T 3< S+ 0 0 33 -4,-1.3 3,-0.5 1,-0.3 -2,-0.1 0.931 88.3 24.4 -39.0 -65.5 7.8 26.7 6.7 107 107 A N T 34 S+ 0 0 122 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.378 120.3 61.9 -94.2 2.6 8.0 29.5 4.3 108 108 A K T <4 S+ 0 0 129 -3,-0.6 -61,-2.8 -8,-0.1 2,-0.5 0.476 83.2 79.3-104.1 -21.2 12.0 29.2 3.7 109 109 A V E < + c 0 47A 0 -4,-1.3 -61,-0.2 -3,-0.5 3,-0.1 -0.897 39.4 172.7-103.7 132.5 12.7 25.6 2.2 110 110 A D E + 0 0 10 -63,-3.0 -108,-8.0 -2,-0.5 2,-0.3 0.895 68.4 2.6 -87.9 -86.6 12.2 24.4 -1.4 111 111 A M E - 0 0 33 -110,-0.2 -62,-1.9 -109,-0.2 2,-0.5 -0.695 67.0-135.2-104.2 150.7 13.6 20.8 -1.9 112 112 A V E -ac 4 49A 1 -109,-3.5 -107,-2.7 -2,-0.3 2,-0.4 -0.972 17.8-162.5-116.4 126.4 15.1 18.6 0.7 113 113 A W E -ac 5 50A 5 -64,-3.3 -62,-3.4 -2,-0.5 2,-0.6 -0.925 10.2-154.4-111.3 125.2 18.3 16.6 -0.0 114 114 A I E +ac 6 51A 0 -109,-2.9 -107,-1.9 -2,-0.4 -62,-0.2 -0.865 14.1 177.4 -92.3 116.4 19.6 13.6 1.9 115 115 A V E + 0 0 15 -64,-2.3 2,-0.2 -2,-0.6 -63,-0.2 0.234 45.8 125.1-101.3 2.9 23.5 13.4 1.5 116 116 A G E - c 0 52A 1 -65,-0.5 -63,-1.3 1,-0.2 -1,-0.4 -0.589 61.3 -66.2 137.3 167.0 24.2 10.3 3.7 117 117 A G > - 0 0 15 -65,-0.3 4,-3.4 -2,-0.2 -1,-0.2 0.484 52.9-107.4 -98.1-155.4 24.8 7.9 5.3 118 118 A S H > S+ 0 0 29 1,-0.3 4,-4.1 2,-0.2 5,-0.1 0.864 119.8 50.9 -52.1 -47.8 23.3 4.4 4.7 119 119 A S H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.822 113.4 45.6 -59.1 -41.8 21.1 4.6 7.7 120 120 A V H > S+ 0 0 12 2,-0.2 4,-1.3 -3,-0.2 -2,-0.2 0.885 112.6 50.2 -72.1 -39.8 19.9 7.9 6.5 121 121 A Y H >X S+ 0 0 10 -4,-3.4 4,-1.9 1,-0.2 3,-0.6 0.930 109.5 53.3 -63.1 -48.8 19.4 6.6 3.0 122 122 A K H 3X S+ 0 0 129 -4,-4.1 4,-0.8 1,-0.2 -2,-0.2 0.875 107.6 48.3 -57.1 -38.7 17.5 3.6 4.4 123 123 A E H 3X S+ 0 0 86 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.805 110.6 52.5 -73.8 -23.9 15.0 5.7 6.4 124 124 A A H X< S+ 0 0 0 -4,-1.3 3,-0.6 -3,-0.6 -2,-0.2 0.927 106.9 52.6 -71.8 -41.9 14.4 7.9 3.3 125 125 A M H 3< S+ 0 0 29 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.583 110.4 48.3 -67.6 -17.9 13.7 4.8 1.2 126 126 A N H 3< S+ 0 0 102 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.650 84.6 107.1 -93.3 -24.1 11.1 3.7 3.8 127 127 A H S << S- 0 0 55 -4,-0.8 -3,-0.0 -3,-0.6 2,-0.0 -0.432 73.6-135.4 -62.4 115.0 9.5 7.1 3.8 128 128 A P + 0 0 85 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.439 66.3 57.0 -66.2 152.5 6.3 6.4 2.0 129 129 A G S S- 0 0 31 2,-0.1 57,-0.8 -2,-0.0 2,-0.2 -0.654 99.2 -21.4 117.8-173.0 5.6 9.1 -0.6 130 130 A H E + F 0 185A 76 -2,-0.2 -126,-0.4 55,-0.2 2,-0.3 -0.487 65.2 168.8 -76.1 135.0 7.4 10.6 -3.7 131 131 A L E - F 0 184A 2 53,-2.0 53,-2.7 -2,-0.2 2,-0.4 -0.991 20.6-155.9-152.6 142.8 11.1 10.1 -3.7 132 132 A K E -bF 5 183A 16 -128,-1.3 -126,-2.5 -2,-0.3 2,-0.6 -0.977 6.3-152.8-127.3 130.3 13.9 10.5 -6.2 133 133 A L E -bF 6 182A 2 49,-3.0 49,-3.5 -2,-0.4 2,-0.8 -0.931 6.0-167.6-101.2 118.4 17.2 8.7 -6.2 134 134 A F E -bF 7 181A 5 -128,-2.1 -126,-1.8 -2,-0.6 2,-0.4 -0.893 19.5-173.8-107.4 94.0 20.0 10.7 -7.9 135 135 A V E -bF 8 180A 0 45,-2.4 45,-3.3 -2,-0.8 2,-0.6 -0.833 21.8-160.2-101.4 135.0 22.8 8.2 -8.3 136 136 A T E -bF 9 179A 0 -128,-3.1 -126,-2.1 -2,-0.4 2,-0.7 -0.961 18.4-153.0-104.4 119.5 26.4 8.7 -9.5 137 137 A R E -bF 10 178A 53 41,-2.7 41,-2.0 -2,-0.6 2,-0.5 -0.887 4.6-159.9-100.5 112.6 27.8 5.3 -10.7 138 138 A I E - F 0 177A 2 -128,-2.4 2,-1.0 -2,-0.7 39,-0.3 -0.763 18.2-137.8 -86.6 125.1 31.6 5.0 -10.4 139 139 A M S S+ 0 0 58 37,-3.6 2,-0.3 -2,-0.5 37,-0.2 -0.323 70.8 67.2 -89.2 53.6 32.5 2.2 -12.7 140 140 A Q S S- 0 0 69 -2,-1.0 -128,-3.1 35,-0.1 -127,-0.3 -0.947 81.4-104.5-159.9 157.4 35.1 0.4 -10.6 141 141 A D - 0 0 108 -2,-0.3 2,-0.3 -130,-0.2 -2,-0.0 -0.616 38.6-175.8 -80.8 146.4 35.3 -1.6 -7.4 142 142 A F - 0 0 37 -2,-0.2 2,-0.3 -118,-0.0 -129,-0.2 -0.952 35.5-101.4-151.8 135.9 36.8 0.2 -4.5 143 143 A E + 0 0 147 -2,-0.3 2,-0.3 -120,-0.2 -2,-0.0 -0.438 55.8 168.1 -61.3 118.6 37.6 -1.0 -1.0 144 144 A S - 0 0 18 -2,-0.3 -126,-0.3 1,-0.1 3,-0.1 -0.823 37.4-163.9-130.9 161.1 34.7 0.3 1.1 145 145 A D S S+ 0 0 75 -128,-3.0 2,-0.3 -2,-0.3 -127,-0.2 0.585 80.0 46.8-127.4 -16.3 33.4 -0.3 4.6 146 146 A T E S-I 17 0B 39 -129,-1.4 -130,-2.4 -28,-0.0 -129,-1.0 -0.890 72.5-154.2-126.9 145.9 29.9 1.2 4.3 147 147 A F E -I 15 0B 90 -2,-0.3 -132,-0.2 -132,-0.3 -133,-0.1 -0.837 22.6-116.1-130.8 164.1 27.3 0.6 1.5 148 148 A F - 0 0 7 -134,-2.1 2,-0.1 -2,-0.3 3,-0.1 -0.776 48.3-113.1 -89.4 137.5 24.4 2.0 -0.4 149 149 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.361 44.0 -88.7 -67.0 153.1 21.4 -0.3 0.3 150 150 A E - 0 0 154 -2,-0.1 2,-0.4 1,-0.1 -3,-0.0 -0.410 40.3-121.2 -65.0 139.8 20.3 -2.1 -2.9 151 151 A I - 0 0 19 -3,-0.1 2,-1.1 -2,-0.1 -1,-0.1 -0.744 14.7-136.5 -89.6 128.1 17.7 -0.4 -5.1 152 152 A D >> - 0 0 55 -2,-0.4 4,-3.5 1,-0.2 3,-2.9 -0.705 14.5-168.9 -92.8 93.7 14.4 -2.2 -5.7 153 153 A L T 34 S+ 0 0 111 -2,-1.1 -1,-0.2 1,-0.3 5,-0.1 0.592 83.9 69.5 -57.5 -15.0 13.7 -1.8 -9.4 154 154 A E T 34 S+ 0 0 181 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.605 117.0 23.3 -80.9 -18.3 10.3 -3.2 -8.8 155 155 A K T <4 S+ 0 0 95 -3,-2.9 2,-0.6 1,-0.2 30,-0.3 0.633 121.2 59.4-114.4 -42.0 9.5 0.1 -6.9 156 156 A Y < - 0 0 2 -4,-3.5 2,-0.3 28,-0.1 28,-0.2 -0.873 68.9-156.1 -99.2 120.7 12.2 2.5 -8.4 157 157 A K E -G 183 0A 159 26,-2.4 26,-1.8 -2,-0.6 2,-0.5 -0.679 17.8-127.8 -90.7 142.9 12.1 3.2 -12.2 158 158 A L E -G 182 0A 87 -2,-0.3 24,-0.2 24,-0.2 22,-0.0 -0.816 28.4-130.3 -88.1 122.9 15.3 4.3 -13.9 159 159 A L - 0 0 38 22,-2.4 22,-0.4 -2,-0.5 3,-0.1 -0.583 3.6-135.3 -73.2 144.9 14.4 7.5 -15.8 160 160 A P S S- 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.688 83.1 -15.9 -74.0 -23.2 15.6 7.6 -19.5 161 161 A E - 0 0 147 20,-0.1 5,-0.1 2,-0.0 19,-0.0 -0.970 56.7-149.8-176.5 160.4 16.8 11.1 -18.9 162 162 A Y > - 0 0 76 3,-0.4 3,-2.0 -2,-0.3 5,-0.0 -0.976 33.1-105.2-143.5 128.9 16.6 14.1 -16.7 163 163 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.212 107.7 15.6 -56.3 127.8 16.9 17.8 -17.5 164 164 A G T 3 S+ 0 0 51 1,-0.2 2,-0.5 0, 0.0 0, 0.0 0.582 103.2 103.8 84.3 10.7 20.3 19.0 -16.3 165 165 A V S < S- 0 0 20 -3,-2.0 -3,-0.4 14,-0.0 2,-0.4 -0.995 70.4-125.3-125.8 132.7 21.9 15.6 -15.9 166 166 A L - 0 0 100 -2,-0.5 13,-0.8 1,-0.1 4,-0.1 -0.675 14.0-159.3 -78.4 129.9 24.4 14.2 -18.5 167 167 A S + 0 0 91 -2,-0.4 2,-0.2 11,-0.1 -1,-0.1 0.523 62.6 77.0 -83.5 -18.0 23.5 10.8 -19.9 168 168 A D S S- 0 0 101 1,-0.1 11,-0.3 10,-0.1 -2,-0.1 -0.623 91.8 -77.8-102.2 164.9 26.9 9.6 -21.2 169 169 A V - 0 0 73 -2,-0.2 2,-0.3 9,-0.1 9,-0.2 -0.204 43.6-154.6 -55.4 136.0 29.9 8.2 -19.4 170 170 A Q E -H 177 0A 38 7,-4.1 7,-2.3 -4,-0.1 2,-0.4 -0.743 5.6-160.3-110.7 166.0 32.2 10.7 -17.7 171 171 A E E +H 176 0A 123 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.981 20.0 155.6-153.6 133.2 35.9 10.3 -16.9 172 172 A E E > S+H 175 0A 32 3,-2.4 3,-1.6 -2,-0.4 -2,-0.1 -0.933 75.5 4.6-157.6 131.8 38.2 11.9 -14.5 173 173 A K T 3 S- 0 0 103 -2,-0.3 3,-0.1 1,-0.3 -146,-0.0 0.705 128.4 -60.2 57.0 36.9 41.4 10.4 -13.2 174 174 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.418 113.8 123.2 76.6 -1.1 41.2 7.3 -15.4 175 175 A I E < - H 0 172A 9 -3,-1.6 -3,-2.4 -35,-0.0 2,-0.3 -0.851 51.2-150.8-102.7 128.2 37.9 6.6 -13.6 176 176 A K E + H 0 171A 82 -2,-0.5 -37,-3.6 -5,-0.2 2,-0.3 -0.733 23.1 158.1 -97.5 140.2 34.7 6.2 -15.5 177 177 A Y E -FH 138 170A 1 -7,-2.3 -7,-4.1 -2,-0.3 2,-0.3 -0.976 20.4-155.1-158.4 155.6 31.3 7.1 -14.1 178 178 A K E -F 137 0A 76 -41,-2.0 -41,-2.7 -2,-0.3 2,-0.4 -0.921 21.1-118.3-129.1 160.8 27.7 8.0 -15.2 179 179 A F E -F 136 0A 18 -13,-0.8 2,-0.3 -2,-0.3 -43,-0.2 -0.838 31.3-179.5 -99.8 135.6 24.7 9.9 -13.7 180 180 A E E -F 135 0A 27 -45,-3.3 -45,-2.4 -2,-0.4 2,-0.4 -0.964 15.5-158.6-134.6 149.3 21.3 8.2 -13.0 181 181 A V E -F 134 0A 6 -22,-0.4 -22,-2.4 -2,-0.3 2,-0.3 -0.993 10.1-172.4-123.3 127.5 17.9 9.3 -11.6 182 182 A Y E -FG 133 158A 9 -49,-3.5 -49,-3.0 -2,-0.4 2,-0.4 -0.907 7.6-157.6-120.6 149.0 15.4 6.7 -10.1 183 183 A E E +FG 132 157A 72 -26,-1.8 -26,-2.4 -2,-0.3 2,-0.3 -0.999 11.4 178.1-137.9 132.8 11.9 7.7 -9.1 184 184 A K E +F 131 0A 3 -53,-2.7 -53,-2.0 -2,-0.4 2,-0.2 -0.837 11.0 171.7-123.5 162.2 9.5 6.1 -6.7 185 185 A N E F 130 0A 113 -30,-0.3 -55,-0.2 -2,-0.3 -2,-0.0 -0.534 360.0 360.0-174.4 97.3 6.0 6.9 -5.5 186 186 A D 0 0 110 -57,-0.8 -56,-0.1 -2,-0.2 0, 0.0 0.526 360.0 360.0-151.8 360.0 4.3 4.2 -3.3