==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-MAR-06 2GGG . COMPND 2 MOLECULE: N-ACYLAMINO ACID RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR W.C.WANG,W.C.CHIU . 1460 6 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 978 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 11.5 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 . 16 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 . 1 0.1 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 . 83 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 377 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.3 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 11 3 5 2 4 15 0 0 5 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 18 10 10 2 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 PARALLEL BRIDGES PER LADDER . 14 4 4 0 0 4 4 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 4 0 0 0 4 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 6 A R 0 0 267 0, 0.0 106,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.9 18.0 24.1 22.8 2 7 A M - 0 0 108 1,-0.1 2,-0.4 70,-0.0 72,-0.2 0.091 360.0-132.7 -64.8 173.4 21.4 22.5 23.8 3 8 A F E -A 73 0A 0 70,-2.5 70,-2.7 72,-0.1 2,-0.5 -0.987 4.6-149.8-141.8 137.2 23.2 19.6 22.2 4 9 A K E -A 72 0A 85 -2,-0.4 2,-1.0 68,-0.3 28,-0.3 -0.823 17.7-138.8 -98.6 122.1 24.9 16.4 23.4 5 10 A I + 0 0 0 66,-2.1 65,-3.8 -2,-0.5 66,-0.3 -0.751 29.7 172.1 -83.0 107.9 27.7 15.0 21.3 6 11 A E - 0 0 69 24,-2.3 355,-1.9 -2,-1.0 2,-0.3 0.852 56.7 -2.5 -86.1 -38.9 27.0 11.3 21.4 7 12 A A E -BC 30 360B 1 23,-1.2 23,-2.5 353,-0.2 2,-0.3 -0.961 53.6-155.3-152.3 162.3 29.5 9.9 18.9 8 13 A A E -BC 29 359B 0 351,-2.0 351,-2.7 -2,-0.3 2,-0.4 -0.982 6.7-159.3-146.5 133.3 32.3 10.8 16.5 9 14 A E E -BC 28 358B 14 19,-2.5 19,-2.5 -2,-0.3 2,-0.6 -0.941 4.2-158.0-112.4 137.6 33.6 9.1 13.5 10 15 A I E -BC 27 357B 3 347,-2.0 347,-1.7 -2,-0.4 2,-0.5 -0.957 15.7-177.2-105.9 125.3 37.0 9.7 11.9 11 16 A V E -BC 26 356B 1 15,-2.2 15,-3.1 -2,-0.6 2,-0.5 -0.994 11.4-160.8-121.4 128.2 37.0 8.6 8.3 12 17 A V E -BC 25 355B 22 343,-3.7 342,-2.9 -2,-0.5 343,-1.6 -0.948 17.0-169.5-107.5 121.8 40.2 8.8 6.2 13 18 A A E -BC 24 353B 0 11,-2.3 11,-2.6 -2,-0.5 2,-0.6 -0.783 24.2-147.5-112.4 151.1 39.6 8.7 2.5 14 19 A R E -B 23 0B 110 338,-3.1 9,-0.2 -2,-0.3 -2,-0.0 -0.879 27.7-170.3-116.0 95.7 41.8 8.3 -0.6 15 20 A L E -B 22 0B 0 7,-2.8 7,-1.5 -2,-0.6 2,-0.2 -0.792 18.6-127.0-100.5 122.2 40.0 10.4 -3.2 16 21 A P E -B 21 0B 29 0, 0.0 301,-0.9 0, 0.0 302,-0.4 -0.452 22.5-131.2 -68.6 129.9 41.2 10.3 -6.8 17 22 A L B E 316 0C 48 3,-1.3 299,-0.3 -2,-0.2 298,-0.1 -0.353 360.0 360.0 -74.9 160.2 42.0 13.6 -8.5 18 23 A K 0 0 136 297,-2.5 -1,-0.1 296,-0.1 296,-0.0 -0.319 360.0 360.0 -67.7 360.0 40.6 14.5 -12.0 19 ! 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 20 34 A T 0 0 151 0, 0.0 -3,-1.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 107.0 47.8 10.2 -7.7 21 35 A H E -B 16 0B 67 -5,-0.2 2,-0.4 2,-0.0 -7,-0.1 -0.420 360.0-121.5-117.6-171.9 45.0 10.6 -5.1 22 36 A K E -B 15 0B 46 -7,-1.5 -7,-2.8 -2,-0.2 2,-0.5 -0.962 19.7-130.9-140.3 127.9 44.4 13.0 -2.2 23 37 A V E -B 14 0B 65 -2,-0.4 -9,-0.2 -9,-0.2 21,-0.0 -0.675 24.4-168.3 -79.3 123.9 44.0 11.8 1.4 24 38 A V E -B 13 0B 0 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.4 -0.918 5.9-159.5-119.8 105.0 40.8 13.4 3.0 25 39 A P E -B 12 0B 1 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.705 14.3-170.5 -82.9 132.2 40.3 13.1 6.8 26 40 A L E -BD 11 39B 0 -15,-3.1 -15,-2.2 -2,-0.4 2,-0.4 -0.936 14.1-158.8-122.4 146.3 36.7 13.6 7.9 27 41 A L E -BD 10 38B 0 11,-2.1 11,-2.0 -2,-0.4 2,-0.5 -0.989 8.4-166.7-118.3 128.9 35.2 14.0 11.3 28 42 A I E -BD 9 37B 0 -19,-2.5 -19,-2.5 -2,-0.4 2,-0.5 -0.983 2.5-163.1-116.7 125.3 31.5 13.2 11.8 29 43 A L E -BD 8 36B 0 7,-3.0 7,-2.5 -2,-0.5 2,-0.4 -0.924 7.3-158.3-108.4 129.4 29.8 14.4 15.1 30 44 A H E +BD 7 35B 41 -23,-2.5 -24,-2.3 -2,-0.5 -23,-1.2 -0.888 28.4 129.1-112.0 133.6 26.5 12.8 16.0 31 45 A G E > + D 0 34B 1 3,-2.6 3,-2.9 -2,-0.4 -26,-0.1 -0.938 59.1 17.1-173.9 155.3 23.9 14.2 18.3 32 46 A E T 3 S- 0 0 91 -28,-0.3 3,-0.1 1,-0.3 -27,-0.1 0.724 126.4 -59.0 48.1 30.8 20.2 15.1 18.6 33 47 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.474 122.5 84.4 81.4 2.8 19.3 12.8 15.7 34 48 A V E < -D 31 0B 42 -3,-2.9 -3,-2.6 2,-0.0 2,-0.3 -0.739 64.1-138.0-125.8 175.1 21.6 14.7 13.2 35 49 A Q E -D 30 0B 64 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.988 1.5-152.7-135.8 149.1 25.2 14.8 12.2 36 50 A G E -D 29 0B 0 -7,-2.5 -7,-3.0 -2,-0.3 2,-0.4 -0.951 16.0-161.8-116.8 142.3 27.8 17.5 11.5 37 51 A V E +D 28 0B 7 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.971 10.5 175.7-131.1 136.9 30.7 16.8 9.1 38 52 A A E -D 27 0B 0 -11,-2.0 -11,-2.1 -2,-0.4 2,-0.5 -0.969 20.9-131.3-144.3 157.3 34.0 18.6 8.7 39 53 A E E -D 26 0B 6 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.917 14.0-132.9-119.8 129.2 37.2 18.1 6.6 40 54 A G - 0 0 2 -15,-3.0 52,-0.1 -2,-0.5 250,-0.1 -0.605 14.7-171.2 -78.6 133.5 40.8 18.2 7.8 41 55 A T + 0 0 9 -2,-0.3 2,-0.1 50,-0.1 -1,-0.1 0.281 46.7 114.4-109.4 12.1 43.1 20.3 5.6 42 56 A M - 0 0 10 10,-0.1 10,-0.2 1,-0.1 2,-0.1 -0.464 61.6-125.2 -73.8 155.4 46.4 19.4 7.1 43 57 A E B -f 52 0D 60 8,-0.9 10,-2.4 2,-0.2 11,-0.2 -0.398 19.5-106.8 -97.4 173.1 48.8 17.4 4.9 44 58 A A S S+ 0 0 67 8,-0.2 10,-0.3 9,-0.1 -1,-0.1 0.900 112.6 24.6 -61.6 -42.5 50.7 14.1 5.2 45 59 A R S S- 0 0 105 7,-0.1 2,-1.8 8,-0.1 3,-0.3 -0.914 100.3 -99.3-122.5 153.4 53.9 16.2 5.7 46 60 A P S S+ 0 0 0 0, 0.0 774,-2.3 0, 0.0 6,-0.1 -0.470 72.5 128.2 -76.0 82.5 54.1 19.8 7.0 47 61 A M S S+ 0 0 111 -2,-1.8 3,-0.1 4,-0.2 5,-0.1 0.863 73.6 32.1-106.4 -49.4 54.5 21.7 3.7 48 62 A Y S S- 0 0 26 -3,-0.3 2,-0.2 3,-0.2 -6,-0.0 0.867 137.6 -20.2 -74.1 -37.0 51.9 24.5 3.6 49 63 A R S S- 0 0 31 2,-0.3 771,-0.4 771,-0.1 -1,-0.1 -0.799 84.2 -72.7-152.6-161.0 52.1 24.9 7.4 50 64 A E S S+ 0 0 23 -2,-0.2 2,-0.2 769,-0.1 -8,-0.0 0.638 91.4 88.2 -82.6 -20.0 53.1 23.1 10.6 51 65 A E - 0 0 12 -6,-0.1 -8,-0.9 4,-0.0 2,-0.3 -0.480 52.0-164.2 -90.4 151.4 50.4 20.5 11.0 52 66 A T B > -f 43 0D 9 -10,-0.2 4,-2.6 -2,-0.2 -8,-0.2 -0.905 31.3-118.0-127.7 160.8 50.2 16.9 9.7 53 67 A I H > S+ 0 0 22 -10,-2.4 4,-2.6 -2,-0.3 5,-0.2 0.923 115.6 50.2 -59.5 -48.2 47.4 14.4 9.3 54 68 A a H > S+ 0 0 46 -10,-0.3 4,-1.7 -11,-0.2 -1,-0.2 0.938 113.7 44.4 -57.4 -49.6 49.1 11.9 11.7 55 69 A G H > S+ 0 0 8 1,-0.2 4,-1.6 733,-0.2 -2,-0.2 0.879 113.6 50.9 -65.3 -37.4 49.6 14.6 14.4 56 70 A A H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.904 108.1 51.1 -66.7 -40.9 46.1 15.9 14.0 57 71 A L H X S+ 0 0 14 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.889 108.0 53.5 -67.3 -38.2 44.4 12.5 14.3 58 72 A b H X S+ 0 0 34 -4,-1.7 4,-2.1 -5,-0.2 5,-0.3 0.919 110.8 46.2 -53.7 -48.1 46.4 11.8 17.5 59 73 A L H X>S+ 0 0 4 -4,-1.6 4,-2.8 3,-0.2 5,-2.2 0.950 114.0 49.6 -65.3 -46.2 45.2 15.0 19.0 60 74 A L H <>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 -2,-0.2 0.953 120.7 31.8 -53.4 -59.0 41.6 14.3 17.9 61 75 A R H <5S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.704 127.0 42.5 -81.6 -17.1 41.3 10.8 19.2 62 76 A G H <5S- 0 0 28 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.776 134.0 -2.5 -95.7 -29.1 43.6 11.3 22.2 63 77 A T T X5S+ 0 0 11 -4,-2.8 4,-1.3 -5,-0.3 -3,-0.2 0.705 124.6 47.0-130.1 -59.4 42.6 14.7 23.5 64 78 A F H >> S- 0 0 55 -72,-0.1 4,-1.3 -73,-0.0 3,-0.3 -0.927 76.0 -85.5-159.1 176.0 26.6 26.5 20.8 76 90 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.782 122.6 62.7 -64.9 -28.3 29.8 25.7 18.8 77 91 A E H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 101.4 52.3 -60.9 -41.0 31.7 28.4 20.7 78 92 A A H > S+ 0 0 32 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.918 108.4 51.7 -59.5 -41.2 31.1 26.4 23.9 79 93 A V H < S+ 0 0 0 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.936 110.0 47.2 -60.3 -50.3 32.5 23.3 22.1 80 94 A S H >< S+ 0 0 27 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.900 109.3 55.7 -54.9 -44.4 35.7 25.2 21.0 81 95 A D H >< S+ 0 0 125 -4,-2.4 3,-2.5 1,-0.3 4,-0.2 0.878 91.9 69.3 -60.5 -38.1 36.0 26.5 24.6 82 96 A A T 3< S+ 0 0 43 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.494 109.5 37.8 -60.2 1.1 36.0 22.9 25.9 83 97 A L T X S+ 0 0 2 -3,-1.8 3,-1.3 -4,-0.1 -1,-0.3 0.101 80.1 116.8-132.9 18.2 39.4 22.6 24.3 84 98 A G T < + 0 0 46 -3,-2.5 -2,-0.1 1,-0.3 -3,-0.1 0.674 58.8 73.4 -70.6 -16.3 40.9 26.0 24.9 85 99 A S T 3 S+ 0 0 84 -4,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.562 80.9 90.0 -78.6 0.7 43.9 25.0 27.1 86 100 A Y S < S- 0 0 51 -3,-1.3 2,-0.3 2,-0.1 694,-0.2 -0.742 73.8-125.7-103.8 143.0 45.8 23.5 24.1 87 101 A R - 0 0 29 692,-2.7 695,-0.1 695,-0.4 694,-0.1 -0.610 58.2 -32.6 -96.0 144.6 48.2 25.5 21.9 88 102 A G S S+ 0 0 12 -2,-0.3 5,-0.1 1,-0.1 -2,-0.1 -0.184 74.2 121.5 52.2-138.6 48.2 26.0 18.2 89 103 A N > + 0 0 16 1,-0.1 4,-2.3 3,-0.1 5,-0.2 0.885 33.1 164.7 49.1 49.4 46.9 23.0 16.1 90 104 A R H > + 0 0 75 1,-0.2 4,-2.0 2,-0.2 169,-0.1 0.855 69.0 51.1 -69.4 -36.5 44.3 25.3 14.6 91 105 A M H > S+ 0 0 5 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.902 109.8 49.8 -67.1 -42.7 43.4 22.9 11.7 92 106 A A H >> S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.960 114.6 45.6 -56.5 -49.1 43.0 19.9 14.1 93 107 A R H 3X S+ 0 0 45 -4,-2.3 4,-2.7 1,-0.2 3,-0.2 0.826 103.9 62.9 -63.0 -35.4 40.7 22.1 16.2 94 108 A A H 3X S+ 0 0 1 -4,-2.0 4,-3.1 163,-0.3 5,-0.3 0.803 95.2 61.8 -60.9 -31.0 38.9 23.4 13.2 95 109 A M H S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-0.7 0.850 110.4 51.7 -57.3 -37.0 22.9 24.5 12.5 106 120 A R H <5S+ 0 0 56 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 0.835 101.7 56.2 -73.1 -33.4 21.2 21.2 11.7 107 121 A T H <5S+ 0 0 45 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.707 115.7 43.7 -67.8 -15.5 19.5 20.8 15.1 108 122 A L H <5S- 0 0 72 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.597 107.3-124.9 -99.3 -17.2 18.0 24.2 14.2 109 123 A G T <5 + 0 0 54 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.766 66.8 132.1 73.4 25.0 17.1 23.7 10.6 110 124 A V < - 0 0 39 -5,-2.7 229,-2.3 -6,-0.1 -1,-0.2 -0.923 62.4-113.2-117.6 134.5 19.2 26.7 9.6 111 125 A P B > -g 339 0E 45 0, 0.0 4,-1.6 0, 0.0 229,-0.2 -0.243 30.6-122.7 -52.5 146.5 21.8 27.1 6.7 112 126 A L H > S+ 0 0 0 227,-2.8 4,-1.5 225,-0.2 5,-0.2 0.919 108.5 51.2 -64.8 -44.3 25.2 27.6 8.1 113 127 A G H >>S+ 0 0 3 226,-0.4 5,-3.0 1,-0.2 4,-0.9 0.875 106.9 56.0 -62.8 -36.5 26.0 30.9 6.4 114 128 A T H >45S+ 0 0 83 1,-0.2 3,-0.5 3,-0.2 -1,-0.2 0.908 107.5 49.1 -57.7 -46.4 22.7 32.3 7.6 115 129 A L H 3<5S+ 0 0 49 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.740 108.0 52.9 -62.6 -31.7 23.8 31.5 11.2 116 130 A L H 3<5S- 0 0 4 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.630 125.9-103.1 -82.1 -14.5 27.1 33.2 10.7 117 131 A G T <<5S+ 0 0 52 -4,-0.9 -3,-0.2 -3,-0.5 184,-0.2 0.522 75.8 135.3 105.3 10.0 25.3 36.3 9.5 118 132 A G < + 0 0 7 -5,-3.0 -1,-0.3 -6,-0.2 182,-0.2 -0.468 28.2 179.4 -79.8 156.6 25.7 36.0 5.8 119 133 A H + 0 0 163 180,-1.1 2,-0.3 -2,-0.1 181,-0.1 0.158 38.4 119.8-144.7 25.4 22.9 36.6 3.3 120 134 A K - 0 0 82 179,-0.8 3,-0.1 176,-0.1 179,-0.1 -0.679 44.5-161.0 -79.5 144.9 24.4 36.2 -0.2 121 135 A E S S+ 0 0 167 -2,-0.3 213,-2.4 1,-0.2 2,-0.3 0.463 79.1 27.2 -99.7 -5.2 22.8 33.4 -2.2 122 136 A Q E S-H 333 0F 96 211,-0.3 2,-0.4 177,-0.1 -1,-0.2 -0.982 70.1-150.1-156.1 150.4 25.8 33.2 -4.5 123 137 A V E -H 332 0F 7 209,-1.8 209,-3.1 -2,-0.3 2,-0.2 -0.984 21.3-116.2-135.8 140.8 29.5 34.0 -4.2 124 138 A E E -H 331 0F 85 -2,-0.4 183,-2.0 207,-0.2 2,-0.3 -0.472 32.9-160.1 -76.4 143.5 32.1 35.2 -6.8 125 139 A V B -j 307 0G 0 205,-2.6 26,-2.4 181,-0.3 27,-0.3 -0.901 9.3-163.0-129.1 153.9 34.9 32.9 -7.6 126 140 A G - 0 0 1 181,-2.3 2,-0.4 -2,-0.3 27,-0.2 -0.637 17.1-125.8-120.9 179.9 38.4 33.2 -9.1 127 141 A V E -k 153 0H 1 25,-1.9 27,-2.4 -2,-0.2 2,-0.4 -0.980 12.5-139.5-132.9 143.3 40.8 30.8 -10.6 128 142 A S E -k 154 0H 49 -2,-0.4 2,-0.4 25,-0.2 27,-0.2 -0.857 14.3-156.4-102.5 140.4 44.5 30.1 -9.7 129 143 A L E -k 155 0H 10 25,-2.9 27,-2.4 -2,-0.4 3,-0.1 -0.964 6.9-142.1-121.8 128.9 47.2 29.5 -12.4 130 144 A G - 0 0 42 -2,-0.4 2,-0.3 1,-0.2 26,-0.2 -0.000 47.7 -65.0 -71.5-177.3 50.5 27.6 -11.9 131 145 A I - 0 0 55 24,-0.1 2,-0.2 26,-0.1 -1,-0.2 -0.549 57.0-155.6 -73.4 132.1 53.7 28.6 -13.5 132 146 A Q - 0 0 60 -2,-0.3 3,-0.1 24,-0.2 6,-0.1 -0.568 25.9-106.2-105.6 177.0 53.5 28.2 -17.3 133 147 A A S S- 0 0 91 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.834 89.7 -18.2 -74.1 -34.0 56.3 27.6 -19.8 134 148 A D S > S- 0 0 73 1,-0.1 4,-1.3 31,-0.0 5,-0.1 -0.925 79.3 -77.5-160.1-180.0 56.3 31.1 -21.4 135 149 A E H > S+ 0 0 66 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 0.897 120.3 46.0 -57.7 -54.2 54.3 34.3 -21.8 136 150 A Q H > S+ 0 0 84 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.834 109.0 55.3 -67.7 -32.0 51.8 33.3 -24.5 137 151 A A H > S+ 0 0 14 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.827 110.2 48.6 -63.1 -32.3 51.0 29.9 -22.8 138 152 A T H X S+ 0 0 6 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.928 113.6 45.9 -68.7 -47.0 50.1 32.0 -19.7 139 153 A V H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.918 110.5 52.7 -65.4 -44.2 48.0 34.4 -21.8 140 154 A D H X S+ 0 0 16 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.904 112.3 45.4 -55.4 -42.8 46.2 31.5 -23.6 141 155 A L H X S+ 0 0 22 -4,-1.4 4,-1.6 -5,-0.2 -2,-0.2 0.905 113.6 49.2 -72.6 -38.6 45.3 29.9 -20.3 142 156 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.913 108.8 53.8 -59.6 -43.8 44.2 33.3 -18.8 143 157 A R H X S+ 0 0 74 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.917 106.1 53.4 -60.1 -43.3 42.1 33.9 -21.9 144 158 A R H X S+ 0 0 24 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.909 112.8 43.3 -54.9 -44.9 40.4 30.6 -21.4 145 159 A H H X>S+ 0 0 10 -4,-1.6 5,-1.4 1,-0.2 4,-0.6 0.840 108.3 55.8 -79.8 -32.2 39.4 31.5 -17.8 146 160 A V H ><5S+ 0 0 43 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.884 109.2 50.8 -58.8 -35.5 38.3 35.0 -18.5 147 161 A E H 3<5S+ 0 0 68 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.771 101.3 59.3 -76.0 -29.0 35.9 33.4 -21.1 148 162 A Q H 3<5S- 0 0 41 -4,-1.1 181,-0.7 -5,-0.1 182,-0.3 0.606 120.7-108.8 -74.1 -12.4 34.5 30.9 -18.6 149 163 A G T <<5 + 0 0 10 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.460 58.6 162.0 99.9 0.8 33.5 33.9 -16.5 150 164 A Y < - 0 0 27 -5,-1.4 -1,-0.2 1,-0.1 -24,-0.2 -0.266 32.2-145.8 -53.6 145.5 35.9 33.7 -13.5 151 165 A R S S+ 0 0 74 -26,-2.4 2,-0.3 179,-0.2 26,-0.2 0.303 75.3 27.0-110.7 5.2 36.0 37.1 -11.8 152 166 A R - 0 0 1 -27,-0.3 -25,-1.9 153,-0.1 2,-0.5 -0.913 65.6-149.0-160.7 144.1 39.6 37.2 -10.7 153 167 A I E -kl 127 178H 2 24,-2.1 26,-2.8 -2,-0.3 2,-0.5 -0.979 11.1-161.8-120.0 127.8 42.8 35.6 -12.1 154 168 A K E -kl 128 179H 9 -27,-2.4 -25,-2.9 -2,-0.5 2,-0.5 -0.925 2.9-161.0-113.4 124.1 45.7 34.6 -9.9 155 169 A L E -kl 129 180H 3 24,-2.8 26,-3.3 -2,-0.5 2,-0.4 -0.888 15.0-136.3-104.2 131.0 49.1 34.0 -11.2 156 170 A K E - l 0 181H 84 -27,-2.4 2,-0.3 -2,-0.5 -24,-0.2 -0.696 33.3-178.1 -73.1 131.9 51.8 32.0 -9.4 157 171 A I - 0 0 1 24,-2.1 5,-0.2 -2,-0.4 28,-0.1 -0.793 13.9-179.6-126.1 170.0 55.1 33.9 -9.7 158 172 A K B > -R 161 0I 102 3,-1.6 3,-3.3 -2,-0.3 28,-0.1 -0.942 49.0 -68.4-166.6 155.0 58.7 33.4 -8.6 159 173 A P T 3 S+ 0 0 60 0, 0.0 27,-0.0 0, 0.0 31,-0.0 -0.207 126.9 23.1 -58.6 139.6 61.9 35.3 -9.0 160 174 A G T 3 S+ 0 0 51 -3,-0.0 2,-0.1 0, 0.0 4,-0.0 0.244 124.8 59.2 83.0 -14.8 62.9 35.3 -12.6 161 175 A W B < S+R 158 0I 42 -3,-3.3 -3,-1.6 3,-0.1 0, 0.0 -0.540 81.0 78.2-143.3 76.7 59.3 34.6 -13.6 162 176 A D S > S+ 0 0 0 -5,-0.2 4,-1.5 -2,-0.1 5,-0.2 0.483 87.2 42.7-142.5 -58.3 57.1 37.4 -12.4 163 177 A V H > S+ 0 0 4 2,-0.2 4,-3.3 3,-0.2 5,-0.2 0.867 112.2 57.1 -67.7 -35.5 57.1 40.6 -14.4 164 178 A Q H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.975 109.9 39.3 -65.9 -56.9 57.0 38.7 -17.7 165 179 A P H > S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.878 120.5 47.8 -59.3 -35.1 53.8 36.6 -17.2 166 180 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.908 111.7 48.2 -74.1 -43.0 52.1 39.6 -15.5 167 181 A R H X S+ 0 0 79 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.930 112.8 49.4 -57.3 -48.8 53.1 42.1 -18.2 168 182 A A H X S+ 0 0 8 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.891 114.1 45.5 -58.9 -41.9 51.9 39.7 -21.0 169 183 A T H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 -2,-0.2 0.937 112.2 47.3 -71.0 -50.5 48.6 39.2 -19.2 170 184 A R H < S+ 0 0 29 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.797 110.9 55.5 -60.6 -29.6 47.8 42.8 -18.4 171 185 A E H < S+ 0 0 143 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.910 115.6 35.9 -71.6 -45.6 48.7 43.7 -21.9 172 186 A A H < S+ 0 0 36 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.812 132.1 32.8 -72.7 -32.4 46.2 41.2 -23.3 173 187 A F < + 0 0 25 -4,-3.0 -1,-0.2 -5,-0.1 3,-0.2 -0.686 66.2 170.1-134.3 77.9 43.7 41.9 -20.5 174 188 A P S S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.696 78.3 34.5 -63.6 -25.8 43.9 45.6 -19.4 175 189 A D S S+ 0 0 151 2,-0.1 3,-0.1 0, 0.0 -5,-0.1 0.695 84.7 108.1-114.2 -20.6 40.9 45.5 -17.2 176 190 A I S S- 0 0 35 -3,-0.2 2,-0.6 1,-0.1 -24,-0.1 -0.120 78.8 -99.4 -57.2 153.9 40.4 42.1 -15.5 177 191 A R - 0 0 92 -26,-0.2 -24,-2.1 25,-0.1 2,-0.4 -0.675 52.1-176.8 -72.6 119.4 41.0 41.7 -11.8 178 192 A L E +l 153 0H 0 -2,-0.6 25,-2.6 23,-0.4 26,-0.4 -0.985 10.7 167.8-130.7 133.0 44.6 40.2 -11.6 179 193 A T E -l 154 0H 0 -26,-2.8 -24,-2.8 -2,-0.4 2,-0.3 -0.878 19.5-139.8-134.7 165.6 46.5 39.0 -8.7 180 194 A V E -lm 155 205H 0 24,-1.6 26,-2.4 -2,-0.3 2,-0.7 -0.968 8.6-139.6-129.5 151.4 49.7 37.0 -8.1 181 195 A D E -lm 156 206H 38 -26,-3.3 -24,-2.1 -2,-0.3 26,-0.1 -0.902 13.6-175.2-104.4 104.4 50.8 34.3 -5.6 182 196 A A > - 0 0 0 24,-1.5 3,-2.7 -2,-0.7 4,-0.2 0.437 23.4-151.1 -79.3 1.5 54.4 35.1 -4.6 183 197 A N T 3 - 0 0 68 1,-0.3 24,-0.1 23,-0.2 28,-0.1 0.730 56.1 -70.4 34.9 47.5 54.4 31.8 -2.6 184 198 A S T 3 S+ 0 0 26 23,-2.9 -1,-0.3 22,-0.4 27,-0.1 0.787 101.6 129.5 46.1 33.4 56.9 33.0 0.0 185 199 A A < + 0 0 44 -3,-2.7 2,-0.2 22,-0.1 24,-0.2 0.405 50.6 77.0 -96.9 2.2 59.6 32.8 -2.7 186 200 A Y - 0 0 11 22,-2.4 2,-0.3 -4,-0.2 24,-0.1 -0.555 56.7-155.5-113.0 170.4 61.0 36.2 -2.1 187 201 A T > - 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