==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-NOV-11 3UW6 . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR J.SEETHARAMAN,S LEW,L NIVON,D BAKER,S BJELIC,C CICCOSANTI,S . 1113 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 13.3 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 . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 100 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 1 6 4 0 3 3 6 1 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 12 6 1 3 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 7 5 7 11 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 . 6 0 3 0 0 3 1 2 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 X 0 0 132 0, 0.0 368,-0.2 0, 0.0 371,-0.0 0.000 360.0 360.0 360.0 87.1 -2.2 -3.7 -48.9 2 2 A N + 0 0 82 366,-0.1 2,-0.3 372,-0.1 368,-0.1 -0.376 360.0 127.6-127.6 54.9 1.0 -5.5 -48.0 3 3 A D - 0 0 49 370,-0.1 2,-0.3 366,-0.1 370,-0.2 -0.695 39.9-154.6-104.5 158.2 -0.2 -8.8 -46.4 4 4 A F - 0 0 59 -2,-0.3 -2,-0.0 368,-0.1 350,-0.0 -0.962 11.5-155.8-134.4 155.2 1.0 -12.2 -47.5 5 5 A H + 0 0 157 -2,-0.3 2,-0.4 3,-0.0 -2,-0.0 0.052 67.4 74.9-124.6 28.2 -0.6 -15.6 -47.3 6 6 A R S S- 0 0 59 2,-0.2 2,-2.1 233,-0.0 -2,-0.0 -0.993 80.4-121.1-133.5 139.7 2.2 -18.2 -47.3 7 7 A D S S+ 0 0 77 -2,-0.4 233,-0.9 233,-0.1 2,-0.3 -0.358 81.9 97.1 -81.8 62.7 4.4 -18.9 -44.3 8 8 A T E +A 239 0A 0 -2,-2.1 2,-0.3 231,-0.2 231,-0.2 -0.952 45.5 145.2-149.2 124.4 7.7 -18.0 -46.1 9 9 A W E -A 238 0A 14 229,-2.4 229,-3.2 -2,-0.3 2,-0.3 -0.991 38.2-127.2-158.0 163.2 9.4 -14.7 -45.9 10 10 A A E -Ab 237 356A 0 345,-3.2 347,-3.7 -2,-0.3 2,-0.4 -0.828 21.9-143.8-112.3 152.4 12.7 -12.8 -45.9 11 11 A E E -Ab 236 357A 42 225,-2.7 225,-2.0 -2,-0.3 2,-0.6 -0.971 6.8-162.6-121.3 135.4 13.7 -10.2 -43.2 12 12 A V E -Ab 235 358A 0 345,-2.9 347,-2.8 -2,-0.4 2,-1.2 -0.946 7.5-155.3-118.7 108.2 15.6 -7.1 -43.9 13 13 A D E >> - b 0 359A 65 221,-2.3 4,-1.0 -2,-0.6 3,-0.9 -0.720 9.0-174.2 -84.8 99.8 17.2 -5.5 -40.8 14 14 A L H 3> S+ 0 0 0 345,-2.6 4,-2.7 -2,-1.2 346,-0.2 0.657 79.2 70.3 -68.5 -15.3 17.6 -1.9 -41.9 15 15 A D H 3> S+ 0 0 20 344,-0.6 4,-3.1 1,-0.2 -1,-0.2 0.886 97.3 52.7 -68.0 -34.1 19.4 -1.1 -38.6 16 16 A A H <> S+ 0 0 2 -3,-0.9 4,-2.6 2,-0.2 216,-0.3 0.912 110.7 45.8 -64.9 -43.5 22.2 -3.2 -40.0 17 17 A I H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 5,-0.3 0.944 114.6 48.1 -63.9 -48.0 22.3 -1.1 -43.2 18 18 A Y H X S+ 0 0 55 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.940 113.9 46.6 -57.4 -50.6 22.1 2.1 -41.2 19 19 A D H X S+ 0 0 43 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.898 109.6 52.8 -62.5 -43.5 24.9 1.1 -38.9 20 20 A N H X S+ 0 0 0 -4,-2.6 4,-1.3 198,-0.2 -1,-0.2 0.937 116.7 38.6 -59.1 -46.6 27.2 -0.1 -41.6 21 21 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.907 111.7 57.4 -71.1 -41.3 26.9 3.2 -43.5 22 22 A E H X S+ 0 0 89 -4,-3.0 4,-1.4 -5,-0.3 -1,-0.2 0.901 106.9 50.8 -55.0 -42.0 26.9 5.3 -40.3 23 23 A N H X S+ 0 0 27 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.887 111.4 46.9 -63.3 -39.5 30.3 3.7 -39.5 24 24 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.865 108.9 54.6 -69.9 -36.5 31.7 4.5 -42.9 25 25 A R H < S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 106.4 53.3 -67.7 -26.5 30.4 8.1 -42.7 26 26 A R H < S+ 0 0 189 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.959 111.9 44.2 -71.0 -51.8 32.2 8.5 -39.4 27 27 A L H < S+ 0 0 58 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.1 0.924 100.5 74.5 -58.9 -54.9 35.5 7.4 -40.9 28 28 A L S < S- 0 0 3 -4,-2.4 6,-0.0 1,-0.1 174,-0.0 -0.355 90.2-105.6 -67.9 142.2 35.5 9.3 -44.2 29 29 A P > - 0 0 48 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 -0.290 31.6-108.1 -65.4 151.0 36.2 13.1 -44.2 30 30 A D T 3 S+ 0 0 164 1,-0.3 -2,-0.1 -4,-0.1 -4,-0.0 0.679 118.8 63.0 -53.9 -20.4 33.2 15.4 -44.7 31 31 A D T 3 S+ 0 0 106 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.678 90.1 82.9 -78.8 -16.9 34.6 16.2 -48.2 32 32 A T < - 0 0 8 -3,-2.8 179,-0.3 -7,-0.1 2,-0.1 -0.797 69.9-150.9 -96.5 119.1 34.1 12.6 -49.2 33 33 A H E -g 211 0B 56 177,-2.9 179,-2.3 -2,-0.6 2,-0.5 -0.410 9.2-134.1 -80.9 160.7 30.7 11.4 -50.4 34 34 A I E -g 212 0B 1 24,-0.3 26,-1.9 177,-0.2 27,-1.5 -0.976 12.9-156.3-118.1 123.4 29.3 7.9 -50.0 35 35 A X E -gh 213 61B 1 177,-2.9 179,-2.3 -2,-0.5 2,-0.5 -0.891 10.2-148.9-100.2 124.5 27.6 6.3 -53.0 36 36 A A E -gh 214 62B 0 25,-3.4 27,-2.3 -2,-0.5 2,-0.6 -0.849 7.8-140.3 -99.1 126.7 25.2 3.6 -52.0 37 37 A S E + h 0 63B 15 177,-1.2 27,-0.2 -2,-0.5 25,-0.1 -0.760 31.1 161.9 -87.2 118.3 24.7 0.7 -54.5 38 38 A V > + 0 0 2 25,-3.2 4,-1.6 -2,-0.6 3,-0.4 -0.028 21.5 137.7-128.7 31.8 21.1 -0.4 -54.9 39 39 A C H > + 0 0 21 24,-0.2 4,-2.2 1,-0.2 5,-0.1 -0.307 62.5 37.0 -70.6 161.0 21.1 -2.3 -58.2 40 40 A G H > S- 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 142.2 -57.2 62.7 40.9 19.1 -5.6 -58.3 41 41 A N H >>S- 0 0 48 -3,-0.4 5,-2.5 1,-0.2 4,-0.8 0.955 108.6 -48.7 52.2 50.9 16.4 -4.2 -56.0 42 42 A A H ><5S- 0 0 0 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.924 106.9 -55.5 52.4 52.3 19.2 -3.6 -53.5 43 43 A Y H 3<5S- 0 0 31 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.913 108.2 -48.5 48.4 50.0 20.5 -7.1 -54.0 44 44 A G H 3<5S+ 0 0 5 -4,-2.5 -1,-0.3 304,-0.2 -2,-0.2 0.607 123.3 103.0 69.5 13.3 17.2 -8.6 -53.1 45 45 A H T <<5S- 0 0 1 -3,-1.6 -3,-0.2 -4,-0.8 -2,-0.1 0.577 98.2 -82.5-100.2 -13.1 16.8 -6.4 -50.0 46 46 A G >< - 0 0 0 -5,-2.5 4,-2.3 -6,-0.2 5,-0.3 0.505 33.1-135.0 109.8 106.0 14.3 -3.9 -51.3 47 47 A D H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.937 99.2 38.1 -57.1 -58.4 15.5 -0.9 -53.4 48 48 A V H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.876 116.9 51.4 -65.6 -36.8 13.6 2.0 -51.9 49 49 A Q H > S+ 0 0 8 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.944 115.6 40.5 -65.3 -47.8 13.8 0.8 -48.3 50 50 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.908 113.2 57.0 -67.1 -39.9 17.6 0.3 -48.4 51 51 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.955 109.4 41.6 -57.0 -56.5 18.0 3.6 -50.4 52 52 A R H X S+ 0 0 87 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.769 114.3 52.9 -66.5 -24.0 16.3 5.9 -47.9 53 53 A T H X S+ 0 0 2 -4,-1.3 4,-1.4 -5,-0.2 -1,-0.2 0.916 111.5 45.8 -74.5 -43.5 18.0 4.1 -44.9 54 54 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.4 0.894 113.5 50.7 -63.9 -40.3 21.4 4.6 -46.5 55 55 A L H ><5S+ 0 0 44 -4,-2.5 3,-1.0 -5,-0.2 -1,-0.2 0.900 109.2 49.7 -64.8 -41.3 20.5 8.2 -47.3 56 56 A E H 3<5S+ 0 0 118 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.769 108.4 55.8 -68.6 -25.3 19.4 8.9 -43.7 57 57 A A T 3<5S- 0 0 9 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.508 133.1 -77.4 -87.3 -5.0 22.6 7.4 -42.4 58 58 A G T < 5S+ 0 0 27 -3,-1.0 -24,-0.3 1,-0.4 -3,-0.2 0.294 87.4 127.2 130.8 -15.6 25.0 9.6 -44.4 59 59 A A < - 0 0 5 -5,-2.4 -1,-0.4 -6,-0.1 -24,-0.2 -0.495 31.8-174.8 -71.2 146.7 25.1 8.4 -48.0 60 60 A S + 0 0 41 -26,-1.9 2,-0.3 1,-0.2 -25,-0.2 0.504 60.1 42.3-120.5 -8.9 24.4 11.2 -50.4 61 61 A R E -h 35 0B 44 -27,-1.5 -25,-3.4 19,-0.1 2,-0.3 -0.983 63.7-145.4-142.1 152.9 24.3 9.4 -53.8 62 62 A L E -hi 36 82B 0 19,-2.6 21,-2.5 -2,-0.3 2,-0.4 -0.839 4.9-156.9-119.3 156.1 22.9 6.2 -55.3 63 63 A A E +hi 37 83B 4 -27,-2.3 -25,-3.2 -2,-0.3 2,-0.3 -0.987 12.0 174.0-132.9 138.7 24.0 3.7 -58.0 64 64 A V E - i 0 84B 1 19,-2.2 21,-3.2 -2,-0.4 22,-0.5 -0.920 35.6-121.2-136.6 162.3 22.1 1.2 -60.1 65 65 A A S S+ 0 0 35 -2,-0.3 21,-0.8 19,-0.2 2,-0.3 0.841 87.1 8.7 -75.6 -39.3 23.0 -1.1 -63.0 66 66 A F S >> S- 0 0 96 19,-0.1 4,-1.1 20,-0.1 3,-1.0 -0.966 79.5 -97.1-145.1 164.7 20.6 0.2 -65.7 67 67 A L H >> S+ 0 0 10 20,-0.4 4,-2.6 -2,-0.3 3,-0.7 0.820 114.0 59.0 -46.4 -47.6 18.2 3.0 -66.4 68 68 A D H 3> S+ 0 0 108 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.878 103.3 53.2 -52.4 -42.6 15.0 1.1 -65.5 69 69 A E H <> S+ 0 0 33 -3,-1.0 4,-1.5 1,-0.2 -1,-0.3 0.860 110.8 48.0 -62.9 -33.4 16.3 0.6 -62.0 70 70 A A H S+ 0 0 1 -4,-1.5 5,-2.1 1,-0.2 3,-0.4 0.921 111.0 48.4 -62.2 -45.2 13.6 4.7 -57.7 74 74 A R H ><5S+ 0 0 26 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.867 108.8 53.9 -62.2 -38.2 12.3 8.1 -58.9 75 75 A E H 3<5S+ 0 0 174 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.759 105.6 55.5 -69.0 -23.6 8.8 6.7 -59.3 76 76 A K T 3<5S- 0 0 88 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.161 127.7 -94.4 -95.3 17.0 9.0 5.6 -55.7 77 77 A G T < 5S+ 0 0 43 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.367 72.9 146.2 93.4 -7.6 9.9 9.0 -54.4 78 78 A I < + 0 0 8 -5,-2.1 -1,-0.3 1,-0.2 -2,-0.1 -0.483 16.1 173.1 -67.7 133.3 13.7 8.9 -54.2 79 79 A E + 0 0 156 -2,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.592 40.4 107.5-114.1 -20.7 15.1 12.4 -55.0 80 80 A A S S- 0 0 20 1,-0.1 -19,-0.1 -19,-0.0 2,-0.1 -0.062 85.0 -80.3 -55.7 160.9 18.8 11.9 -54.3 81 81 A P - 0 0 48 0, 0.0 -19,-2.6 0, 0.0 2,-0.4 -0.381 47.8-159.5 -66.7 142.9 21.2 11.8 -57.2 82 82 A I E -ij 62 101B 3 18,-0.7 20,-2.7 -21,-0.2 2,-0.5 -0.987 6.4-158.9-128.5 135.5 21.4 8.4 -59.1 83 83 A L E -ij 63 102B 2 -21,-2.5 -19,-2.2 -2,-0.4 2,-0.7 -0.955 13.0-143.2-115.2 125.8 24.1 7.1 -61.3 84 84 A V E -ij 64 103B 0 18,-2.9 20,-0.9 -2,-0.5 -19,-0.2 -0.782 17.2-173.1 -82.6 117.8 23.5 4.4 -63.9 85 85 A T + 0 0 34 -21,-3.2 -20,-0.2 -2,-0.7 -1,-0.2 0.615 61.0 59.3 -89.2 -13.5 26.8 2.4 -63.7 86 86 A G S S- 0 0 21 -21,-0.8 18,-0.5 -22,-0.5 -20,-0.1 -0.220 99.4 -59.8-101.6-165.7 26.0 0.1 -66.7 87 87 A A + 0 0 77 -2,-0.1 -20,-0.4 16,-0.1 2,-0.3 -0.307 49.4 178.5 -76.3 160.8 25.3 0.6 -70.3 88 88 A S - 0 0 22 16,-0.2 3,-0.0 -22,-0.1 5,-0.0 -0.936 33.4 -91.2-152.1 168.2 22.3 2.6 -71.7 89 89 A R > - 0 0 172 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.727 23.2-135.2 -90.9 137.7 20.9 3.7 -75.0 90 90 A P G > S+ 0 0 15 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.899 106.4 60.7 -54.1 -40.8 22.0 7.0 -76.6 91 91 A A G 3 S+ 0 0 68 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.584 95.1 63.1 -65.0 -10.4 18.4 7.7 -77.4 92 92 A D G <> S+ 0 0 39 -3,-2.1 4,-2.7 1,-0.2 -1,-0.3 0.427 71.1 98.2 -95.9 3.8 17.4 7.6 -73.7 93 93 A A H <> S+ 0 0 0 -3,-1.7 4,-3.2 1,-0.2 5,-0.2 0.905 82.0 52.4 -55.8 -45.3 19.5 10.6 -72.7 94 94 A A H > S+ 0 0 45 -3,-0.3 4,-3.2 -4,-0.2 -1,-0.2 0.938 111.2 46.5 -56.6 -49.5 16.5 12.9 -72.9 95 95 A L H > S+ 0 0 62 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.926 115.2 46.0 -58.9 -46.5 14.5 10.6 -70.6 96 96 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 -1,-0.2 0.886 113.7 49.8 -63.8 -40.3 17.5 10.3 -68.2 97 97 A A H ><5S+ 0 0 3 -4,-3.2 3,-2.0 -5,-0.2 -2,-0.2 0.953 107.9 52.6 -63.5 -50.0 18.0 14.0 -68.3 98 98 A Q H 3<5S+ 0 0 103 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.838 113.8 45.4 -54.2 -33.7 14.3 14.8 -67.6 99 99 A Q T 3<5S- 0 0 60 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.302 112.1-116.8 -95.7 8.5 14.6 12.5 -64.5 100 100 A R T < 5 + 0 0 144 -3,-2.0 -18,-0.7 1,-0.2 2,-0.5 0.895 63.8 148.7 57.2 43.1 17.9 13.9 -63.2 101 101 A I E < -j 82 0B 3 -5,-2.9 24,-0.2 -20,-0.1 2,-0.2 -0.940 39.6-140.0-111.6 127.7 19.7 10.5 -63.7 102 102 A A E -j 83 0B 6 -20,-2.7 -18,-2.9 -2,-0.5 2,-0.3 -0.594 15.1-149.1 -86.8 148.4 23.4 10.5 -64.5 103 103 A L E -jk 84 126B 0 22,-2.1 24,-2.0 -2,-0.2 2,-0.3 -0.897 10.6-126.4-120.4 146.5 24.8 8.0 -67.1 104 104 A T E - k 0 127B 2 -20,-0.9 2,-0.4 -18,-0.5 24,-0.2 -0.711 22.2-153.0 -89.4 138.9 28.2 6.3 -67.4 105 105 A V E + k 0 128B 0 22,-2.7 24,-2.3 -2,-0.3 34,-0.3 -0.960 23.8 165.9-116.3 130.5 30.0 6.7 -70.7 106 106 A F + 0 0 33 -2,-0.4 2,-0.3 1,-0.2 32,-0.2 0.541 65.1 39.8-116.6 -17.1 32.5 4.1 -72.0 107 107 A R > - 0 0 119 1,-0.1 4,-1.4 32,-0.1 3,-0.4 -0.998 62.6-139.8-139.8 143.5 33.0 5.0 -75.7 108 108 A S H > S+ 0 0 3 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.866 105.6 62.6 -65.4 -36.4 33.3 8.3 -77.6 109 109 A D H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 99.9 53.8 -55.6 -39.0 31.1 6.8 -80.3 110 110 A W H > S+ 0 0 20 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.960 110.2 45.9 -61.7 -51.3 28.2 6.5 -77.8 111 111 A L H X S+ 0 0 0 -4,-1.4 4,-3.0 1,-0.2 5,-0.2 0.860 108.7 56.4 -60.5 -37.6 28.5 10.2 -77.0 112 112 A E H X S+ 0 0 100 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.924 110.6 44.8 -60.6 -42.9 28.7 11.1 -80.6 113 113 A E H X S+ 0 0 113 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.908 115.6 46.7 -67.2 -42.4 25.4 9.4 -81.2 114 114 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.847 110.4 53.1 -68.9 -35.8 23.9 10.9 -78.1 115 115 A S H >< S+ 0 0 20 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.919 109.1 49.4 -65.4 -42.7 25.1 14.4 -79.0 116 116 A A H 3< S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.773 116.1 41.8 -68.7 -26.7 23.6 14.2 -82.4 117 117 A L H 3< S+ 0 0 83 -4,-1.2 2,-0.4 -5,-0.1 -1,-0.2 0.467 105.6 67.8-103.3 -0.0 20.2 13.1 -81.2 118 118 A Y << + 0 0 10 -4,-0.8 39,-0.1 -3,-0.6 -1,-0.1 -0.969 38.1 157.0-123.6 134.5 19.7 15.3 -78.1 119 119 A S - 0 0 101 -2,-0.4 -1,-0.1 1,-0.4 -4,-0.0 0.492 42.3-168.8-134.0 -5.9 19.2 19.0 -78.0 120 120 A G - 0 0 27 37,-0.0 -1,-0.4 36,-0.0 -23,-0.0 -0.859 59.2-151.6 143.6-167.3 17.6 19.7 -74.8 121 121 A P S S+ 0 0 103 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 -1.000 89.5 55.9 -94.0 -9.5 16.1 21.2 -72.7 122 122 A F S S- 0 0 93 -28,-0.1 2,-0.2 1,-0.1 -24,-0.1 -0.555 81.8-117.8 -82.9 145.6 17.4 19.3 -69.6 123 123 A P - 0 0 63 0, 0.0 2,-0.5 0, 0.0 35,-0.2 -0.546 25.4-145.0 -78.9 149.1 21.1 19.1 -68.8 124 124 A I E - l 0 158B 1 33,-3.0 35,-2.2 -2,-0.2 2,-0.4 -0.971 5.8-146.1-120.2 127.5 22.5 15.5 -68.8 125 125 A H E - l 0 159B 65 -2,-0.5 -22,-2.1 -24,-0.2 2,-0.3 -0.792 16.3-166.9 -96.2 129.8 25.3 14.5 -66.4 126 126 A F E -kl 103 160B 0 33,-2.5 35,-2.2 -2,-0.4 36,-2.0 -0.844 14.3-160.1-117.2 151.5 27.9 11.9 -67.4 127 127 A H E -kl 104 162B 1 -24,-2.0 -22,-2.7 -2,-0.3 2,-0.5 -0.999 21.5-137.8-125.8 127.3 30.6 9.9 -65.6 128 128 A L E -kl 105 163B 1 34,-2.1 36,-2.4 -2,-0.4 2,-0.6 -0.764 9.0-148.6 -90.7 132.0 33.4 8.5 -67.7 129 129 A Y E - l 0 164B 27 -24,-2.3 10,-2.3 -2,-0.5 2,-0.4 -0.890 14.4-150.8-100.6 118.6 34.5 5.0 -66.9 130 130 A X B -n 139 0C 0 34,-2.5 2,-0.7 -2,-0.6 36,-0.4 -0.752 6.7-144.5 -95.0 135.0 38.1 4.5 -67.6 131 131 A D - 0 0 18 8,-2.7 7,-0.1 -2,-0.4 34,-0.0 -0.873 8.3-158.5 -93.8 112.4 39.6 1.1 -68.6 132 132 A T - 0 0 5 -2,-0.7 -1,-0.1 34,-0.2 46,-0.1 0.183 55.5 -86.7 -80.2 20.5 43.0 0.9 -66.9 133 133 A G S S+ 0 0 56 45,-0.0 -1,-0.1 1,-0.0 -2,-0.1 0.030 120.1 67.1 104.9 -28.4 44.1 -1.7 -69.4 134 134 A X S S+ 0 0 121 3,-0.1 2,-0.1 34,-0.0 -3,-0.0 0.197 82.3 94.8-111.9 16.4 43.0 -5.0 -67.9 135 135 A G S S- 0 0 43 2,-0.1 3,-0.1 1,-0.1 -4,-0.1 -0.384 75.4-124.9 -99.5-180.0 39.3 -4.5 -68.2 136 136 A S S S+ 0 0 120 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.385 87.1 8.1-105.4 1.8 36.8 -5.5 -70.9 137 137 A L S S+ 0 0 86 2,-0.1 -1,-0.2 -7,-0.1 2,-0.1 -0.981 77.2 82.9-169.8 167.6 35.4 -2.0 -71.6 138 138 A G S S- 0 0 11 -2,-0.3 2,-0.3 -32,-0.2 -8,-0.2 -0.408 81.5 -42.9 114.6 167.5 35.8 1.7 -70.9 139 139 A V B +n 130 0C 0 -10,-2.3 -8,-2.7 -34,-0.3 -32,-0.1 -0.542 54.4 175.1 -69.5 129.2 37.9 4.6 -72.3 140 140 A K + 0 0 125 -2,-0.3 2,-0.3 -10,-0.2 -1,-0.1 0.673 50.1 43.3-113.2 -21.3 41.5 3.4 -72.8 141 141 A D S > S- 0 0 55 1,-0.1 4,-1.7 41,-0.0 3,-0.1 -0.846 73.4-116.6-128.4 165.7 43.5 6.1 -74.5 142 142 A E H > S+ 0 0 86 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.814 109.9 58.4 -66.5 -32.9 44.1 9.9 -74.3 143 143 A E H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 108.5 44.7 -66.6 -39.7 42.8 10.6 -77.8 144 144 A E H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 110.5 55.2 -71.2 -36.6 39.4 9.1 -77.0 145 145 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.906 108.7 48.8 -60.8 -41.0 39.3 10.9 -73.7 146 146 A K H X S+ 0 0 100 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.866 108.1 52.6 -67.6 -37.9 39.9 14.2 -75.5 147 147 A R H X S+ 0 0 99 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.952 112.5 46.4 -62.0 -47.0 37.2 13.5 -78.1 148 148 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.945 112.3 48.6 -58.9 -52.2 34.7 12.9 -75.2 149 149 A V H X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.894 112.4 51.5 -54.9 -41.4 35.8 16.0 -73.3 150 150 A A H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.950 107.1 50.9 -61.6 -52.4 35.4 17.9 -76.5 151 151 A L H X S+ 0 0 3 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.874 112.9 46.6 -53.6 -42.3 31.9 16.6 -77.2 152 152 A I H < S+ 0 0 9 -4,-2.2 6,-0.3 2,-0.2 3,-0.2 0.938 112.7 46.7 -69.2 -48.1 30.7 17.6 -73.7 153 153 A E H < S+ 0 0 137 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 114.2 51.4 -62.6 -31.9 32.3 21.1 -73.7 154 154 A R H < S+ 0 0 153 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.790 97.5 75.1 -75.5 -30.4 30.8 21.6 -77.1 155 155 A H S >< S- 0 0 18 -4,-1.5 3,-0.7 -3,-0.2 -36,-0.0 -0.739 71.5-148.9 -88.7 126.9 27.3 20.5 -76.2 156 156 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.804 97.4 39.9 -62.7 -31.2 25.3 23.2 -74.1 157 157 A H T 3 S+ 0 0 51 -39,-0.1 -33,-3.0 -34,-0.1 2,-0.3 0.461 94.5 98.4 -99.1 -1.5 23.3 20.6 -72.2 158 158 A F E < -l 124 0B 10 -3,-0.7 2,-0.4 -6,-0.3 -33,-0.2 -0.693 51.5-172.8 -88.1 137.9 26.1 18.0 -71.6 159 159 A V E -l 125 0B 53 -35,-2.2 -33,-2.5 -2,-0.3 2,-1.0 -0.996 23.2-140.9-133.6 134.7 27.9 18.1 -68.3 160 160 A L E +l 126 0B 34 -2,-0.4 -33,-0.1 -35,-0.2 -35,-0.1 -0.829 34.7 160.6 -93.2 104.9 31.0 16.2 -67.2 161 161 A E E - 0 0 30 -35,-2.2 31,-2.7 -2,-1.0 2,-0.3 0.809 52.9 -2.9 -96.0 -35.5 30.1 15.3 -63.6 162 162 A G E -lm 127 192B 0 -36,-2.0 -34,-2.1 29,-0.2 2,-0.3 -0.890 42.5-149.5-151.1-179.0 32.4 12.4 -62.8 163 163 A L E +lm 128 193B 0 29,-1.4 31,-2.3 -36,-0.3 2,-0.3 -0.966 28.3 154.2-153.8 138.4 35.1 9.9 -63.6 164 164 A W E -l 129 0B 11 -36,-2.4 -34,-2.5 -2,-0.3 2,-0.3 -0.962 18.8-163.1-158.8 174.6 35.6 6.4 -62.1 165 165 A T - 0 0 2 29,-0.4 31,-2.2 -2,-0.3 2,-0.6 -0.962 25.8-114.0-157.1 167.4 37.0 2.9 -62.6 166 166 A W B -o 196 0D 119 -36,-0.4 2,-0.7 -2,-0.3 -34,-0.2 -0.952 24.0-146.0-113.9 117.0 36.7 -0.6 -61.2 167 167 A F - 0 0 1 29,-1.9 5,-0.1 -2,-0.6 28,-0.0 -0.742 24.5-124.4 -85.4 115.3 39.8 -1.9 -59.5 168 168 A A 0 0 48 -2,-0.7 7,-0.1 1,-0.1 -1,-0.0 -0.191 360.0 360.0 -58.3 147.0 40.0 -5.7 -60.1 169 169 A T 0 0 138 29,-0.0 -1,-0.1 2,-0.0 55,-0.1 0.493 360.0 360.0-129.6 360.0 40.3 -8.1 -57.1 170 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 171 177 A Y > 0 0 94 0, 0.0 4,-1.4 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 4.8 48.0 -5.7 -59.9 172 178 A F H > + 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.861 360.0 56.6 -79.0 -38.7 46.3 -2.9 -57.9 173 179 A S H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.918 108.2 49.4 -58.9 -43.4 49.4 -0.7 -57.7 174 180 A Y H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.948 112.1 46.1 -60.7 -52.1 49.6 -0.7 -61.5 175 181 A Q H X S+ 0 0 10 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.900 109.6 54.7 -58.3 -45.0 46.0 0.2 -62.1 176 182 A Y H X S+ 0 0 20 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.925 113.1 41.0 -56.3 -49.4 46.0 3.0 -59.4 177 183 A T H X S+ 0 0 10 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.883 112.8 55.2 -66.7 -39.3 49.0 4.7 -61.1 178 184 A R H X S+ 0 0 76 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.822 107.0 51.8 -63.2 -30.9 47.5 4.1 -64.5 179 185 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.837 103.2 57.3 -74.4 -35.1 44.3 5.8 -63.3 180 186 A L H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.861 106.4 50.9 -63.9 -34.4 46.3 8.9 -62.1 181 187 A H H X S+ 0 0 31 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.930 109.2 48.7 -67.5 -46.2 47.6 9.2 -65.7 182 188 A X H >< S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 4,-0.2 0.839 106.1 59.9 -63.3 -31.7 44.2 9.1 -67.2 183 189 A L H >< S+ 0 0 12 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.930 100.8 52.9 -62.0 -46.2 43.1 11.7 -64.7 184 190 A E H 3< S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.597 90.1 78.4 -66.6 -11.7 45.6 14.2 -65.9 185 191 A W T << S+ 0 0 33 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.660 81.2 86.9 -70.3 -14.9 44.3 13.7 -69.5 186 192 A L S < S- 0 0 13 -3,-1.8 -40,-0.1 -4,-0.2 3,-0.0 -0.670 79.7-134.5 -90.6 141.2 41.4 16.0 -68.4 187 193 A P S S+ 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.984 89.8 5.2 -51.3 -67.3 41.5 19.8 -68.7 188 194 A S S S- 0 0 91 -3,-0.1 -3,-0.0 1,-0.0 0, 0.0 -0.728 91.8 -89.9-116.8 166.1 40.1 20.3 -65.2 189 195 A R - 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