==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-SEP-97 1OHK . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CODY,N.GALITSKY,J.R.LUFT,W.PANGBORN . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 11.8 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 . 2 1.1 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 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.0 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 2 0 0 0 1 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 1 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 . 0 1 2 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 0 124 0, 0.0 2,-0.3 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 -92.2 17.8 9.9 36.3 2 2 A G - 0 0 14 108,-0.1 2,-0.2 3,-0.0 3,-0.1 -0.830 360.0-105.4-130.1 168.8 15.9 7.1 34.9 3 3 A S - 0 0 44 -2,-0.3 109,-0.5 1,-0.1 2,-0.3 -0.549 42.8 -83.0-102.0 166.6 13.6 7.3 31.8 4 4 A L E -ab 112 131A 17 126,-1.2 128,-2.2 -2,-0.2 2,-0.4 -0.406 54.6-172.1 -61.5 110.7 9.8 7.3 31.8 5 5 A N E -ab 113 132A 2 107,-1.8 109,-1.9 -2,-0.3 2,-0.4 -0.955 8.8-159.0-107.6 141.6 9.2 3.6 31.9 6 6 A C E -ab 114 133A 1 126,-2.8 128,-4.0 -2,-0.4 2,-0.4 -0.956 5.1-168.3-118.7 138.0 5.6 2.5 31.5 7 7 A I E + b 0 134A 4 107,-4.0 2,-0.3 -2,-0.4 128,-0.2 -0.993 19.3 154.6-130.6 119.0 4.6 -1.0 32.8 8 8 A V E - b 0 135A 8 126,-2.1 128,-2.0 -2,-0.4 2,-0.4 -0.918 34.4-142.0-137.4 153.8 1.2 -2.5 31.7 9 9 A A E - b 0 136A 15 -2,-0.3 2,-0.4 126,-0.2 128,-0.2 -0.946 26.8-164.9-120.5 129.1 -0.2 -6.0 31.4 10 10 A V E - b 0 137A 4 126,-4.2 128,-4.1 -2,-0.4 2,-0.4 -0.872 16.0-145.2-123.7 147.2 -2.5 -6.4 28.3 11 11 A S E > - b 0 138A 2 4,-1.0 3,-4.0 -2,-0.4 128,-0.2 -0.837 41.0-103.6-101.3 150.4 -5.0 -9.0 27.3 12 12 A Q T 3 S+ 0 0 135 128,-1.5 129,-0.2 126,-0.9 127,-0.1 0.756 125.3 59.6 -42.2 -36.0 -5.2 -9.7 23.6 13 13 A N T 3 S- 0 0 45 127,-0.5 -1,-0.3 129,-0.1 131,-0.1 0.301 122.4-109.3 -77.2 -1.3 -8.4 -7.7 23.7 14 14 A M < + 0 0 49 -3,-4.0 134,-3.4 1,-0.3 2,-0.3 0.453 69.4 150.2 79.5 15.4 -6.4 -4.7 24.9 15 15 A G E +I 147 0B 0 132,-0.3 -4,-1.0 127,-0.2 -1,-0.3 -0.533 22.5 164.0 -86.2 134.2 -8.0 -5.0 28.4 16 16 A I E + 0 0 26 130,-1.7 2,-0.3 -2,-0.3 131,-0.2 0.429 65.6 23.4-123.0 -19.8 -6.1 -3.9 31.6 17 17 A G E -I 146 0B 6 129,-1.6 129,-1.6 5,-0.2 128,-0.8 -0.966 44.2-177.5-154.9 169.0 -9.1 -3.7 34.0 18 18 A K S S- 0 0 59 3,-1.8 3,-0.2 -2,-0.3 125,-0.0 -0.535 78.1 -16.5-169.6 99.0 -12.5 -4.7 35.0 19 19 A N S S- 0 0 144 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 0.996 127.8 -47.9 56.0 73.9 -14.6 -3.5 38.0 20 20 A G S S+ 0 0 34 1,-0.1 2,-0.2 -3,-0.0 -1,-0.2 0.563 128.2 72.0 41.3 26.1 -11.6 -2.1 39.9 21 21 A D S S- 0 0 92 -3,-0.2 -3,-1.8 37,-0.0 -1,-0.1 -0.759 88.4 -55.9-147.4-171.1 -9.6 -5.2 39.3 22 22 A L - 0 0 57 -2,-0.2 -5,-0.2 -5,-0.2 -6,-0.0 -0.558 30.4-135.0 -87.0 133.9 -7.7 -7.4 36.9 23 23 A P S S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 120,-0.1 0.661 91.9 40.7 -53.6 -17.4 -9.2 -8.8 33.7 24 24 A W S S- 0 0 15 -8,-0.1 -2,-0.2 118,-0.1 3,-0.1 -0.856 99.4 -80.6-136.6 163.5 -7.5 -12.1 34.8 25 25 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.252 68.7 -89.2 -51.0 148.3 -6.8 -14.4 37.7 26 26 A P - 0 0 80 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.539 43.0-152.0 -67.0 133.8 -3.8 -13.0 39.5 27 27 A L >> - 0 0 1 -2,-0.2 4,-1.4 1,-0.1 3,-1.2 -0.934 2.6-156.6-108.8 94.7 -0.6 -14.6 37.9 28 28 A R H 3> S+ 0 0 154 -2,-0.6 4,-2.2 1,-0.3 3,-0.2 0.679 87.2 49.8 -56.7 -35.7 2.2 -14.7 40.4 29 29 A N H 3> S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.772 110.8 53.0 -70.9 -23.8 5.3 -14.8 38.2 30 30 A E H <> S+ 0 0 15 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.828 111.0 47.5 -70.0 -32.7 3.9 -11.8 36.4 31 31 A F H X S+ 0 0 90 -4,-1.4 4,-3.4 2,-0.2 -2,-0.2 0.892 109.0 52.9 -68.6 -49.5 3.5 -10.1 39.8 32 32 A R H X S+ 0 0 137 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.908 112.7 45.6 -61.5 -36.0 7.1 -11.1 40.8 33 33 A Y H X S+ 0 0 10 -4,-1.7 4,-1.6 2,-0.3 5,-0.3 0.884 110.9 51.2 -69.7 -45.3 8.3 -9.5 37.6 34 34 A F H X S+ 0 0 46 -4,-1.5 4,-1.3 2,-0.2 3,-0.4 0.937 113.0 46.5 -57.9 -48.9 6.2 -6.5 38.1 35 35 A Q H X S+ 0 0 76 -4,-3.4 4,-1.5 1,-0.2 5,-0.3 0.967 110.5 57.6 -57.0 -49.4 7.7 -6.3 41.6 36 36 A R H X S+ 0 0 73 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.585 109.4 38.5 -44.7 -37.1 11.2 -6.8 40.0 37 37 A M H < S+ 0 0 20 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.1 0.803 116.3 47.0 -95.2 -45.5 11.3 -4.0 37.6 38 38 A T H < S+ 0 0 0 -4,-1.3 -2,-0.2 -5,-0.3 10,-0.2 0.706 120.0 36.5 -77.2 -24.9 9.7 -1.2 39.6 39 39 A T H < S+ 0 0 39 -4,-1.5 9,-0.2 -5,-0.2 2,-0.2 0.879 90.1 101.0 -93.4 -53.3 11.6 -1.8 42.9 40 40 A T < + 0 0 89 -4,-0.7 2,-0.5 -5,-0.3 7,-0.0 -0.163 48.8 178.6 -41.8 103.6 15.1 -2.7 41.6 41 41 A S - 0 0 42 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.915 26.1-173.6-126.4 135.6 17.5 0.2 41.7 42 42 A S S S+ 0 0 103 -2,-0.5 -1,-0.1 2,-0.1 -2,-0.0 0.857 70.7 84.3 -83.3 -43.0 21.2 0.4 40.8 43 43 A V S S- 0 0 61 2,-0.1 3,-0.4 4,-0.0 2,-0.4 -0.359 85.9-127.7 -62.5 143.2 21.8 3.9 42.1 44 44 A E S S+ 0 0 182 1,-0.2 3,-0.1 66,-0.0 -2,-0.1 -0.955 87.5 23.1-100.1 135.2 22.5 3.5 45.8 45 45 A G S S+ 0 0 78 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 -0.072 103.9 101.7 107.9 -21.4 20.6 5.5 48.2 46 46 A K - 0 0 61 -3,-0.4 -1,-0.2 63,-0.1 2,-0.2 -0.813 52.9-154.5-108.5 142.6 17.7 6.0 45.8 47 47 A Q E -c 109 0A 94 61,-0.9 63,-2.7 -2,-0.3 64,-0.3 -0.573 24.5-114.4-106.0 168.4 14.3 4.5 45.4 48 48 A N E - d 0 70A 0 21,-0.7 23,-3.1 -9,-0.2 2,-0.4 -0.573 24.7-134.4 -95.8 169.7 12.2 4.3 42.3 49 49 A L E -cd 112 71A 0 62,-2.9 64,-2.7 21,-0.3 2,-0.4 -0.976 12.2-159.2-125.5 136.5 8.9 6.3 42.1 50 50 A V E -cd 113 72A 0 21,-1.9 23,-2.5 -2,-0.4 2,-0.5 -0.983 8.9-153.3-115.6 116.7 5.8 4.5 40.8 51 51 A I E +cd 114 73A 0 62,-2.8 64,-1.7 -2,-0.4 65,-0.8 -0.948 24.9 168.9-100.3 127.2 3.1 6.9 39.5 52 52 A M E -cd 116 74A 0 21,-3.0 23,-2.4 -2,-0.5 65,-0.3 -0.925 28.6-116.9-144.1 156.7 -0.4 5.5 39.8 53 53 A G E > - d 0 75A 10 63,-1.6 4,-1.6 -2,-0.3 3,-0.4 -0.154 36.6 -98.6 -84.2 175.8 -4.1 6.6 39.5 54 54 A K H > S+ 0 0 74 21,-0.7 4,-1.6 1,-0.2 3,-0.3 0.984 122.1 46.8 -64.2 -57.3 -7.0 6.5 42.1 55 55 A K H 4 S+ 0 0 132 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.590 112.1 50.5 -59.2 -13.6 -8.5 3.3 40.9 56 56 A T H > S+ 0 0 39 -3,-0.4 4,-0.9 2,-0.2 3,-0.4 0.824 105.2 55.3 -90.9 -42.0 -5.1 1.4 40.7 57 57 A W H >< S+ 0 0 2 -4,-1.6 3,-0.6 -3,-0.3 -2,-0.2 0.946 109.4 49.2 -53.3 -50.4 -4.0 2.3 44.2 58 58 A F T 3< S+ 0 0 106 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.683 101.6 59.9 -62.6 -26.8 -7.3 0.8 45.4 59 59 A S T 34 S+ 0 0 37 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.637 88.9 87.0 -69.3 -35.9 -7.0 -2.7 43.5 60 60 A I S << S- 0 0 28 -4,-0.9 5,-0.0 -3,-0.6 -39,-0.0 -0.744 97.6-105.5 -71.6 110.9 -3.8 -3.3 45.3 61 61 A P > - 0 0 70 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.039 21.6-121.4 -39.0 140.9 -4.6 -5.0 48.7 62 62 A E G > S+ 0 0 119 1,-0.3 3,-2.4 2,-0.2 -2,-0.0 0.901 110.8 68.8 -49.6 -41.5 -4.2 -2.7 51.7 63 63 A K G 3 S+ 0 0 177 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.835 102.8 39.8 -46.8 -47.4 -1.7 -5.2 53.0 64 64 A N G < S+ 0 0 74 -3,-1.4 -1,-0.3 3,-0.1 4,-0.2 0.147 93.3 146.2 -99.3 18.1 0.9 -4.3 50.2 65 65 A R < + 0 0 47 -3,-2.4 2,-0.2 -4,-0.2 21,-0.1 -0.897 61.2 29.0-102.8 128.4 0.1 -0.6 50.5 66 66 A P S S- 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.658 110.2-107.6 -81.3 149.7 2.3 1.4 50.0 67 67 A L > - 0 0 19 -2,-0.2 3,-0.9 1,-0.1 2,-0.1 -0.210 39.0-105.9 -42.4 128.9 4.2 -0.8 47.7 68 68 A K T 3 S+ 0 0 141 1,-0.2 -1,-0.1 -4,-0.2 3,-0.1 -0.316 96.2 7.3 -60.8 125.7 7.4 -2.1 49.5 69 69 A G T 3 S+ 0 0 32 -2,-0.1 -21,-0.7 1,-0.1 2,-0.3 0.660 108.7 82.5 72.7 28.2 10.6 -0.4 48.2 70 70 A R E < S-d 48 0A 7 -3,-0.9 2,-0.4 -23,-0.2 -21,-0.3 -0.966 83.9-106.9-150.7 141.6 9.3 2.4 45.9 71 71 A I E -d 49 0A 17 -23,-3.1 -21,-1.9 -2,-0.3 2,-0.5 -0.698 41.7-136.6 -75.7 130.8 8.0 5.9 46.6 72 72 A N E -d 50 0A 0 -2,-0.4 15,-1.2 -23,-0.2 16,-1.0 -0.859 22.9-171.0 -89.3 120.1 4.2 5.6 46.0 73 73 A L E -de 51 88A 0 -23,-2.5 -21,-3.0 -2,-0.5 2,-0.5 -0.961 4.3-158.6-128.8 128.8 2.6 8.4 44.1 74 74 A V E -de 52 89A 0 14,-3.1 16,-2.1 -2,-0.5 2,-0.5 -0.808 4.3-158.1-108.2 130.9 -1.1 8.9 43.5 75 75 A L E +de 53 90A 18 -23,-2.4 -21,-0.7 -2,-0.5 2,-0.3 -0.918 29.8 141.9-108.9 121.2 -3.0 10.9 40.9 76 76 A S - 0 0 9 -2,-0.5 14,-0.1 14,-0.5 -2,-0.0 -0.890 40.3-157.0-155.5 146.9 -6.4 12.1 41.6 77 77 A R S S+ 0 0 201 -2,-0.3 14,-0.1 1,-0.1 -2,-0.0 0.161 93.5 46.6-110.0 8.5 -8.4 15.2 40.8 78 78 A E S S+ 0 0 156 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 0.640 85.4 79.7-121.1 -25.4 -10.8 14.6 43.7 79 79 A L - 0 0 45 1,-0.1 -3,-0.1 4,-0.0 -25,-0.0 -0.224 58.8-153.2 -73.4-177.9 -9.2 13.6 47.0 80 80 A K S S+ 0 0 192 1,-0.6 -1,-0.1 2,-0.0 9,-0.1 0.593 83.0 30.0-123.4 -35.4 -7.8 16.5 49.0 81 81 A E S S- 0 0 157 7,-0.0 -1,-0.6 1,-0.0 3,-0.1 -0.766 103.2 -92.7-116.0 154.3 -5.1 14.6 50.9 82 82 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 7,-0.1 -0.486 52.8 -86.7 -75.5 145.3 -3.4 11.5 49.4 83 83 A P > - 0 0 14 0, 0.0 3,-0.9 0, 0.0 2,-0.1 -0.286 61.0 -85.1 -48.9 143.8 -4.9 8.1 50.2 84 84 A Q T 3 S+ 0 0 160 1,-0.2 3,-0.1 -3,-0.1 -19,-0.0 -0.361 113.4 17.6 -61.0 130.2 -3.5 6.7 53.4 85 85 A G T 3 S+ 0 0 36 1,-0.6 -1,-0.2 -2,-0.1 2,-0.2 -0.112 102.1 110.0 100.5 -23.6 -0.2 4.7 53.3 86 86 A A < - 0 0 13 -3,-0.9 -1,-0.6 1,-0.1 -13,-0.1 -0.600 64.8-144.9 -83.8 130.9 0.4 6.4 50.0 87 87 A H + 0 0 87 -15,-1.2 2,-0.3 -2,-0.2 -14,-0.2 0.657 67.9 17.7 -83.6 -33.1 3.3 9.1 50.0 88 88 A F E -e 73 0A 53 -16,-1.0 -14,-3.1 -5,-0.1 2,-0.4 -0.991 52.1-152.6-147.2 163.2 2.1 11.8 47.5 89 89 A L E +e 74 0A 32 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.911 16.4 179.4-130.0 136.6 -0.8 13.2 45.8 90 90 A S E -e 75 0A 5 -16,-2.1 -14,-0.5 -2,-0.4 6,-0.1 -0.954 25.4-148.5-150.0 122.7 -0.5 15.0 42.5 91 91 A R S S+ 0 0 85 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.567 81.9 9.1 -65.4 -14.6 -3.3 16.4 40.5 92 92 A S S >> S- 0 0 33 1,-0.1 4,-1.7 -16,-0.0 3,-0.6 -0.958 71.3-111.0-167.0 153.9 -1.6 15.8 37.2 93 93 A L H 3> S+ 0 0 1 -2,-0.3 4,-1.4 1,-0.3 5,-0.1 0.656 112.6 62.8 -60.4 -28.1 1.4 14.1 35.5 94 94 A D H 3> S+ 0 0 100 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.935 112.2 37.4 -65.2 -46.1 3.0 17.4 34.6 95 95 A D H <> S+ 0 0 44 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.705 104.0 68.7 -75.9 -25.7 3.3 18.1 38.4 96 96 A A H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.959 109.4 38.3 -51.6 -52.4 4.1 14.6 39.4 97 97 A L H X S+ 0 0 38 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.815 109.5 59.6 -68.7 -32.8 7.5 15.1 37.6 98 98 A K H X S+ 0 0 145 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.882 105.1 53.1 -59.8 -41.2 7.9 18.8 38.8 99 99 A L H < S+ 0 0 40 -4,-2.4 6,-0.5 2,-0.3 -1,-0.2 0.805 101.9 56.8 -59.4 -43.2 7.8 17.3 42.3 100 100 A T H < S+ 0 0 12 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.942 110.9 44.9 -53.0 -51.2 10.6 14.8 41.4 101 101 A E H < S+ 0 0 131 -4,-2.0 -2,-0.3 4,-0.1 -1,-0.3 0.877 96.9 103.3 -63.1 -37.4 12.6 17.8 40.5 102 102 A Q S X S- 0 0 101 -4,-1.6 4,-1.2 -5,-0.1 3,-0.4 0.019 92.5 -81.1 -48.9 152.2 11.5 19.5 43.7 103 103 A P T 4 S+ 0 0 92 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.539 119.8 23.5 -24.1 -53.0 13.9 19.7 46.6 104 104 A E T > S+ 0 0 95 -5,-0.2 4,-0.8 2,-0.1 3,-0.2 0.689 114.8 63.1-101.2 -22.4 13.8 16.5 48.4 105 105 A L H > S+ 0 0 6 -6,-0.5 4,-2.2 -3,-0.4 -1,-0.1 0.739 93.1 76.9 -73.0 -16.8 12.5 14.3 45.6 106 106 A A H < S+ 0 0 40 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.1 0.862 96.9 30.9 -54.2 -66.6 15.8 15.2 43.9 107 107 A N H 4 S+ 0 0 137 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.702 124.9 47.9 -71.4 -27.7 18.6 13.2 45.4 108 108 A K H < S+ 0 0 110 -4,-0.8 -61,-0.9 -8,-0.1 -2,-0.2 0.867 85.7 91.1 -81.0 -49.6 16.3 10.3 46.2 109 109 A V E < + c 0 47A 2 -4,-2.2 -61,-0.2 -9,-0.2 3,-0.1 -0.234 39.5 164.5 -58.7 120.7 14.4 9.6 43.0 110 110 A D E - 0 0 4 -63,-2.7 2,-0.3 1,-0.5 -62,-0.2 0.790 61.9 -5.9-108.3 -68.0 16.1 7.1 40.7 111 111 A M E - 0 0 53 -64,-0.3 -62,-2.9 -110,-0.1 2,-0.5 -0.907 60.9-135.4-126.2 164.6 13.5 5.9 38.0 112 112 A V E -ac 4 49A 11 -109,-0.5 -107,-1.8 -2,-0.3 2,-0.4 -0.982 16.5-161.8-124.3 129.4 10.1 6.6 37.5 113 113 A W E -ac 5 50A 7 -64,-2.7 -62,-2.8 -2,-0.5 2,-0.8 -0.867 12.2-148.5-114.8 137.2 7.6 3.9 36.6 114 114 A I E +ac 6 51A 0 -109,-1.9 -107,-4.0 -2,-0.4 -62,-0.1 -0.900 21.3 169.2-111.5 106.9 4.1 4.2 35.2 115 115 A V E + 0 0 16 -64,-1.7 2,-0.2 -2,-0.8 -1,-0.2 0.483 44.2 176.4 -91.0 -17.6 2.0 1.4 36.6 116 116 A G E - c 0 52A 0 -65,-0.8 -63,-1.6 -3,-0.1 -1,-0.3 -0.559 47.2-140.5 109.0-165.7 -1.1 3.1 35.1 117 117 A G > - 0 0 15 -65,-0.3 4,-2.9 -2,-0.2 5,-0.2 -0.152 54.4 -73.6 -79.4-130.6 -4.0 3.3 34.5 118 118 A S H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -2,-0.0 0.872 123.8 34.6 -63.2 -57.8 -5.6 4.7 31.4 119 119 A S H > S+ 0 0 93 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.698 117.7 57.0 -76.6 -16.1 -5.3 8.4 31.4 120 120 A V H > S+ 0 0 16 2,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.886 111.4 40.7 -76.6 -47.0 -1.9 8.1 33.1 121 121 A Y H X S+ 0 0 8 -4,-2.9 4,-1.3 1,-0.2 5,-0.3 0.968 115.9 56.5 -66.5 -38.0 -0.6 5.9 30.3 122 122 A K H X S+ 0 0 91 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.3 0.841 109.1 41.7 -55.0 -42.9 -2.6 8.5 28.3 123 123 A E H < S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.961 112.7 58.6 -69.5 -42.8 -0.6 11.5 29.8 124 124 A A H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.855 101.9 44.6 -37.9 -77.1 2.8 9.5 29.5 125 125 A M H 3< S+ 0 0 10 -4,-1.3 2,-1.0 1,-0.3 -1,-0.2 0.873 100.6 69.0 -44.6 -52.2 3.2 8.6 25.8 126 126 A N T 3< S+ 0 0 132 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.1 0.061 82.7 101.9 -71.7 35.8 2.2 12.0 24.6 127 127 A H S < S- 0 0 56 -2,-1.0 2,-0.8 -3,-0.7 59,-0.2 -0.867 79.1-122.0-119.7 143.2 5.5 13.3 26.1 128 128 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.871 73.1 60.8 -90.1 108.6 8.6 14.1 23.9 129 129 A G S S- 0 0 17 -2,-0.8 2,-1.3 -4,-0.2 57,-0.5 -0.952 89.8 -26.1 162.6-179.7 11.2 11.9 25.4 130 130 A H E + F 0 185A 63 -2,-0.3 -126,-1.2 55,-0.2 2,-0.4 -0.553 61.2 164.5 -73.6 96.1 12.9 8.7 26.4 131 131 A L E -bF 4 184A 1 53,-1.8 53,-0.8 -2,-1.3 2,-0.4 -0.984 19.6-172.1-122.1 128.5 10.1 6.3 26.9 132 132 A K E -bF 5 183A 35 -128,-2.2 -126,-2.8 -2,-0.4 2,-0.7 -0.915 14.1-148.7-121.2 132.8 10.3 2.6 27.2 133 133 A L E -bF 6 182A 0 49,-2.5 49,-2.2 -2,-0.4 2,-1.1 -0.915 2.1-157.8-103.4 112.2 7.1 0.6 27.3 134 134 A F E -bF 7 181A 3 -128,-4.0 -126,-2.1 -2,-0.7 2,-0.6 -0.825 21.1-170.0 -99.4 102.8 7.3 -2.6 29.3 135 135 A V E -bF 8 180A 1 45,-2.0 45,-1.9 -2,-1.1 2,-0.8 -0.857 18.5-163.9-104.7 110.5 4.5 -4.6 27.8 136 136 A T E -bF 9 179A 0 -128,-2.0 -126,-4.2 -2,-0.6 2,-1.0 -0.702 16.0-154.0 -90.6 103.5 3.1 -7.9 29.3 137 137 A R E -bF 10 178A 53 41,-2.8 41,-1.9 -2,-0.8 2,-0.7 -0.647 5.7-163.3 -91.3 98.0 1.0 -9.6 26.5 138 138 A I E -bF 11 177A 2 -128,-4.1 -126,-0.9 -2,-1.0 2,-0.6 -0.753 14.3-148.8 -81.7 115.9 -1.6 -11.9 28.1 139 139 A M + 0 0 71 37,-2.2 2,-0.3 -2,-0.7 -128,-0.1 -0.432 65.9 71.7 -96.0 54.5 -2.4 -13.9 25.0 140 140 A Q S S- 0 0 75 -2,-0.6 -128,-1.5 35,-0.1 -127,-0.5 -0.914 81.5-103.9-156.1 165.9 -6.1 -14.6 25.8 141 141 A D + 0 0 109 -2,-0.3 2,-0.3 -129,-0.2 -2,-0.1 -0.790 31.7 175.0-101.5 149.1 -9.3 -12.7 26.0 142 142 A F - 0 0 39 -2,-0.3 2,-0.3 -118,-0.1 -127,-0.2 -0.928 39.7-112.8-147.5 129.2 -10.8 -11.6 29.3 143 143 A E + 0 0 167 -2,-0.3 2,-0.3 -120,-0.1 -2,-0.0 -0.591 49.8 172.6 -67.5 136.2 -14.0 -9.4 29.2 144 144 A S - 0 0 18 -2,-0.3 -126,-0.3 -131,-0.1 3,-0.1 -0.909 37.5-156.4-141.1 160.2 -12.8 -6.0 30.6 145 145 A D S S+ 0 0 94 -128,-0.8 2,-0.4 -2,-0.3 -127,-0.2 0.491 83.9 59.6-106.4 -32.7 -14.4 -2.6 31.0 146 146 A T E S-I 17 0B 50 -129,-1.6 -130,-1.7 -28,-0.0 -129,-1.6 -0.850 72.1-171.0-110.9 139.6 -11.0 -0.6 31.0 147 147 A F E -I 15 0B 92 -2,-0.4 -132,-0.3 -132,-0.3 -133,-0.1 -0.819 29.2 -90.8-128.3 166.6 -8.6 -0.8 28.1 148 148 A F - 0 0 14 -134,-3.4 2,-0.2 -2,-0.3 -30,-0.1 -0.609 42.5-119.3 -78.9 133.5 -5.1 0.1 26.9 149 149 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.497 41.6-111.0 -65.2 133.1 -4.9 3.5 25.2 150 150 A E - 0 0 144 -2,-0.2 2,-0.5 -3,-0.0 -3,-0.0 -0.679 27.2-144.5 -80.9 138.5 -3.6 2.6 21.7 151 151 A I - 0 0 4 -2,-0.3 2,-1.8 2,-0.0 5,-0.1 -0.865 20.5-121.8 -95.3 119.8 -0.1 3.7 20.8 152 152 A D > - 0 0 68 -2,-0.5 3,-1.1 1,-0.2 -2,-0.0 -0.563 38.6-167.5 -58.8 93.6 0.7 4.8 17.2 153 153 A L G > S+ 0 0 89 -2,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.118 70.7 79.6 -78.7 23.0 3.3 2.0 17.1 154 154 A E G 3 S+ 0 0 174 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.336 91.8 62.8 -95.3 2.1 5.2 3.0 14.0 155 155 A K G < S+ 0 0 114 -3,-1.1 2,-0.3 2,-0.0 30,-0.2 0.289 96.4 69.2-103.6 6.0 6.7 5.4 16.4 156 156 A Y S < S- 0 0 33 -3,-0.6 2,-0.4 28,-0.1 28,-0.2 -0.901 71.3-131.9-124.9 156.5 8.3 2.8 18.7 157 157 A K E -G 183 0A 119 26,-1.6 26,-1.6 -2,-0.3 2,-0.8 -0.844 14.3-142.8-103.9 137.3 11.1 0.3 18.4 158 158 A L E -G 182 0A 121 -2,-0.4 24,-0.2 24,-0.2 3,-0.0 -0.933 18.1-147.5-102.6 104.5 10.5 -3.3 19.5 159 159 A L E -G 181 0A 42 22,-1.6 22,-0.7 -2,-0.8 3,-0.1 -0.644 4.3-145.3 -69.5 129.5 13.8 -4.3 21.2 160 160 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.754 84.0 19.1 -62.8 -32.4 14.1 -8.0 20.4 161 161 A E - 0 0 149 20,-0.0 5,-0.1 19,-0.0 6,-0.0 -0.958 69.4-164.5-139.5 136.7 15.8 -8.5 23.8 162 162 A Y > - 0 0 56 3,-0.5 3,-2.3 -2,-0.3 2,-0.9 -0.872 42.0 -89.3-128.3 150.3 15.8 -6.4 27.0 163 163 A P T 3 S- 0 0 96 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.493 111.1 -3.0 -54.6 100.4 18.2 -6.7 29.9 164 164 A G T 3 S+ 0 0 52 -2,-0.9 2,-0.6 1,-0.3 -3,-0.0 0.696 98.7 127.0 83.3 30.4 16.4 -9.2 32.2 165 165 A V < - 0 0 18 -3,-2.3 -3,-0.5 14,-0.0 -1,-0.3 -0.962 63.1-120.9-131.7 129.9 13.5 -9.7 30.4 166 166 A L - 0 0 71 -2,-0.6 13,-0.3 1,-0.1 4,-0.1 -0.361 22.8-168.5 -55.4 131.6 12.3 -13.1 29.4 167 167 A S + 0 0 95 11,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.610 60.2 75.9-105.1 -11.7 12.0 -13.2 25.6 168 168 A D S S- 0 0 107 1,-0.1 11,-0.2 10,-0.1 9,-0.1 -0.761 95.4 -87.7-104.9 150.5 10.1 -16.5 25.2 169 169 A V - 0 0 71 -2,-0.3 2,-0.3 9,-0.1 9,-0.2 -0.263 44.9-149.1 -49.6 120.3 6.3 -17.0 25.9 170 170 A Q E -H 177 0A 38 7,-3.3 7,-3.0 -4,-0.1 2,-0.5 -0.742 5.1-154.1 -97.2 135.8 5.6 -17.9 29.5 171 171 A E E +H 176 0A 111 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.845 19.7 164.3-131.2 105.2 2.7 -20.1 30.8 172 172 A E E > -H 175 0A 24 3,-0.7 3,-2.3 -2,-0.5 -2,-0.0 -0.953 69.1 -4.5-117.5 143.0 1.3 -19.8 34.3 173 173 A K T 3 S- 0 0 138 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.763 127.1 -58.2 41.7 49.6 -2.0 -21.2 35.5 174 174 A G T 3 S+ 0 0 52 -3,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.513 118.1 114.9 64.9 1.9 -2.9 -22.5 32.1 175 175 A I E < - H 0 172A 11 -3,-2.3 -3,-0.7 -35,-0.0 2,-0.4 -0.670 56.5-148.7 -96.3 157.0 -2.6 -18.9 30.9 176 176 A K E + H 0 171A 95 -5,-0.2 -37,-2.2 -2,-0.2 2,-0.3 -0.999 22.6 166.7-129.1 124.7 0.2 -18.0 28.3 177 177 A Y E -FH 138 170A 4 -7,-3.0 -7,-3.3 -2,-0.4 2,-0.3 -0.925 16.2-159.7-138.4 160.4 1.9 -14.5 28.3 178 178 A K E -F 137 0A 60 -41,-1.9 -41,-2.8 -2,-0.3 2,-0.4 -0.996 14.9-131.7-141.4 143.0 4.9 -12.9 26.7 179 179 A F E +F 136 0A 18 -2,-0.3 2,-0.3 -13,-0.3 -43,-0.2 -0.804 25.3 171.1 -98.1 131.8 7.0 -9.8 27.5 180 180 A E E -F 135 0A 40 -45,-1.9 -45,-2.0 -2,-0.4 2,-0.4 -0.978 18.6-148.8-128.6 143.2 7.9 -7.2 24.8 181 181 A V E -FG 134 159A 5 -22,-0.7 -22,-1.6 -2,-0.3 2,-0.3 -0.974 11.3-159.6-123.2 135.9 9.6 -3.8 25.5 182 182 A Y E -FG 133 158A 11 -49,-2.2 -49,-2.5 -2,-0.4 2,-0.3 -0.723 5.8-164.0-109.4 150.2 9.0 -0.7 23.3 183 183 A E E +FG 132 157A 25 -26,-1.6 -26,-1.6 -2,-0.3 2,-0.3 -0.928 12.4 171.8-137.5 167.0 11.0 2.4 22.8 184 184 A K E -F 131 0A 4 -53,-0.8 -53,-1.8 -2,-0.3 2,-0.3 -0.896 15.7-174.0-173.5 139.3 10.8 5.8 21.5 185 185 A N E F 130 0A 102 -2,-0.3 -55,-0.2 -30,-0.2 -2,-0.0 -0.715 360.0 360.0-141.2 81.6 12.9 8.9 21.6 186 186 A D 0 0 108 -57,-0.5 -1,-0.1 -2,-0.3 -56,-0.1 0.024 360.0 360.0-124.7 360.0 10.7 11.5 20.0