==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PEPTIDE 24-MAR-11 2YDR . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR M.SCHIMPL,V.S.BORODKIN,L.J.GRAY,D.M.F.VAN AALTEN . 587 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.8 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 1 2 1 0 1 0 3 2 1 2 0 0 1 1 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 3 2 4 1 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 3 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 1 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 40 A Q 0 0 189 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 131.9 70.1 -11.0 13.5 2 41 A V - 0 0 34 17,-2.5 129,-0.2 127,-0.2 2,-0.2 -0.842 360.0-143.9-105.3 116.9 68.1 -13.9 11.9 3 42 A L - 0 0 145 -2,-0.6 16,-0.0 1,-0.1 0, 0.0 -0.504 27.4-105.3 -76.7 144.3 64.6 -13.2 10.7 4 43 A V - 0 0 51 -2,-0.2 3,-0.1 125,-0.1 -1,-0.1 -0.561 43.7-139.6 -62.1 122.1 61.9 -15.9 11.1 5 44 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.228 39.2 -61.9 -74.3 176.0 61.5 -17.2 7.5 6 45 A N - 0 0 75 417,-0.1 2,-0.4 116,-0.0 4,-0.0 -0.437 60.8-164.4 -55.9 124.8 58.1 -18.1 6.0 7 46 A L - 0 0 14 -2,-0.2 112,-0.1 -3,-0.1 3,-0.0 -0.930 8.4-133.1-118.2 142.1 56.6 -20.9 8.0 8 47 A N S S+ 0 0 0 -2,-0.4 2,-0.2 1,-0.2 399,-0.1 -0.940 88.4 22.2-147.5 125.1 53.7 -23.2 7.0 9 48 A P S S- 0 0 1 0, 0.0 -1,-0.2 0, 0.0 398,-0.1 0.605 100.7-111.6 -68.9 168.4 51.5 -23.8 8.8 10 49 A T - 0 0 33 -2,-0.2 404,-0.1 401,-0.1 -2,-0.1 -0.560 34.3-122.5 -63.6 116.7 51.7 -20.8 11.1 11 50 A P - 0 0 9 0, 0.0 3,-0.2 0, 0.0 125,-0.1 -0.347 15.4-127.5 -61.3 144.3 52.7 -22.0 14.6 12 51 A E S S+ 0 0 45 1,-0.2 2,-0.5 125,-0.2 124,-0.2 0.968 92.9 21.8 -57.1 -57.6 50.2 -21.2 17.3 13 52 A N E S+A 135 0A 74 122,-2.3 122,-1.6 2,-0.0 2,-0.4 -0.948 72.8 162.3-119.6 112.2 52.7 -19.5 19.7 14 53 A L E +A 134 0A 57 -2,-0.5 2,-0.4 -3,-0.2 120,-0.2 -0.998 7.8 177.1-130.3 135.7 56.0 -18.1 18.5 15 54 A E E -A 133 0A 132 118,-0.9 118,-1.7 -2,-0.4 2,-0.4 -0.997 27.3-132.2-135.9 131.8 58.3 -15.6 20.2 16 55 A V E +A 132 0A 88 -2,-0.4 116,-0.3 116,-0.2 3,-0.1 -0.690 29.6 170.0 -78.9 130.1 61.7 -14.3 19.2 17 56 A V + 0 0 56 114,-2.6 2,-0.3 -2,-0.4 115,-0.2 0.369 56.3 9.2-121.8 1.8 64.0 -14.5 22.1 18 57 A G S S- 0 0 24 113,-1.0 113,-0.4 -16,-0.1 -16,-0.1 -0.939 81.3 -88.0-165.3-179.5 67.4 -13.7 20.7 19 58 A D S S- 0 0 98 1,-0.3 -17,-2.5 -2,-0.3 2,-0.1 0.629 70.5-120.1 -77.1 -14.8 69.4 -12.5 17.8 20 59 A G - 0 0 14 -19,-0.2 2,-0.3 110,-0.1 -1,-0.3 -0.368 26.7-128.9 97.4 173.1 69.7 -16.0 16.3 21 60 A F E -F 129 0B 34 108,-2.1 108,-2.6 -2,-0.1 2,-0.5 -0.982 15.2-103.4-153.0 164.3 72.8 -18.0 15.6 22 61 A K E -F 128 0B 130 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.799 37.6-125.5 -84.9 133.4 74.6 -20.0 13.0 23 62 A I - 0 0 5 104,-3.2 4,-0.1 -2,-0.5 39,-0.0 -0.682 34.9-112.4 -73.1 130.6 74.4 -23.7 13.6 24 63 A T - 0 0 44 -2,-0.4 -1,-0.1 2,-0.1 38,-0.1 -0.029 28.8 -97.3 -61.1 168.4 78.0 -25.2 13.6 25 64 A S S S+ 0 0 105 27,-0.1 28,-2.1 1,-0.1 2,-0.3 0.663 110.6 17.8 -59.7 -25.4 79.4 -27.5 10.9 26 65 A S E S-h 53 0C 14 26,-0.2 37,-0.5 28,-0.0 2,-0.3 -0.976 78.9-152.1-150.5 155.0 78.6 -30.4 13.1 27 66 A I E -h 54 0C 0 26,-2.0 28,-2.6 -2,-0.3 2,-0.6 -0.832 21.1-112.2-133.2 157.2 76.2 -30.9 16.1 28 67 A N E -b 64 0A 6 35,-2.9 37,-3.4 -2,-0.3 2,-0.5 -0.837 32.5-155.6 -88.9 127.2 75.7 -32.8 19.2 29 68 A L E -b 65 0A 20 -2,-0.6 2,-0.4 26,-0.4 37,-0.2 -0.918 13.4-173.9-108.1 128.4 72.6 -35.0 18.9 30 69 A V E +b 66 0A 43 35,-2.6 37,-2.2 -2,-0.5 -2,-0.0 -0.976 58.8 10.1-128.0 131.2 70.8 -35.9 22.1 31 70 A G S >> S+ 0 0 7 -2,-0.4 4,-1.9 35,-0.2 3,-1.2 0.486 76.2 129.8 91.2 6.8 67.9 -38.2 22.8 32 71 A E T 34 + 0 0 45 1,-0.3 8,-0.1 2,-0.2 36,-0.1 0.517 65.0 62.7 -74.5 -8.5 67.8 -39.8 19.3 33 72 A E T 34 S+ 0 0 140 1,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.687 117.0 28.5 -83.8 -23.0 67.7 -43.4 20.7 34 73 A E T <4 S+ 0 0 135 -3,-1.2 -2,-0.2 33,-0.2 3,-0.1 0.625 102.1 96.2-111.0 -25.0 64.4 -42.8 22.5 35 74 A A S < S- 0 0 8 -4,-1.9 5,-0.1 32,-0.2 75,-0.1 -0.270 95.8 -65.8 -68.7 157.3 62.8 -40.1 20.2 36 75 A D > - 0 0 29 1,-0.1 4,-2.4 2,-0.1 3,-0.2 -0.190 42.3-136.1 -48.9 124.1 60.4 -41.0 17.4 37 76 A E H > S+ 0 0 156 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.878 103.9 47.1 -48.6 -48.1 62.2 -43.1 14.7 38 77 A N H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.831 109.5 51.8 -67.9 -38.1 60.5 -41.0 11.9 39 78 A A H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.913 110.6 50.2 -62.6 -44.0 61.3 -37.6 13.5 40 79 A V H X S+ 0 0 8 -4,-2.4 4,-3.5 2,-0.2 -2,-0.2 0.924 110.2 48.8 -62.4 -46.2 64.9 -38.7 13.8 41 80 A N H X S+ 0 0 62 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.907 110.9 50.5 -60.1 -44.8 65.1 -39.8 10.1 42 81 A A H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.932 114.5 45.0 -53.3 -47.3 63.5 -36.5 8.9 43 82 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.929 112.6 51.3 -65.3 -45.7 66.1 -34.7 11.0 44 83 A R H X S+ 0 0 93 -4,-3.5 4,-2.3 2,-0.2 -2,-0.2 0.922 109.8 48.7 -56.8 -49.8 68.9 -37.0 9.8 45 84 A E H X S+ 0 0 122 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.913 111.8 49.6 -58.0 -45.1 68.0 -36.4 6.1 46 85 A F H X S+ 0 0 26 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.901 110.6 49.8 -62.3 -41.8 67.8 -32.6 6.5 47 86 A L H <>S+ 0 0 3 -4,-2.2 5,-3.1 1,-0.2 -1,-0.2 0.893 113.2 45.9 -66.5 -39.5 71.2 -32.6 8.3 48 87 A T H ><5S+ 0 0 108 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.925 110.4 53.6 -64.9 -44.7 72.8 -34.6 5.5 49 88 A A H 3<5S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.692 113.7 43.7 -66.8 -19.6 71.2 -32.5 2.8 50 89 A N T 3<5S- 0 0 73 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.151 116.2-110.4-112.8 17.7 72.6 -29.4 4.4 51 90 A N T < 5 + 0 0 146 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.867 65.5 146.7 58.3 45.2 76.2 -30.7 5.1 52 91 A I < - 0 0 10 -5,-3.1 -26,-0.2 -6,-0.1 -1,-0.2 -0.958 35.2-150.9-113.3 114.6 75.8 -30.9 8.9 53 92 A E E -h 26 0C 147 -28,-2.1 -26,-2.0 -2,-0.6 2,-0.5 -0.410 10.4-131.0 -76.5 157.2 77.8 -33.8 10.5 54 93 A I E -h 27 0C 61 -28,-0.2 -26,-0.2 -2,-0.1 2,-0.1 -0.964 24.4-127.2-105.4 130.7 76.7 -35.4 13.7 55 94 A N - 0 0 35 -28,-2.6 -26,-0.4 -2,-0.5 3,-0.1 -0.408 9.3-155.3 -70.4 151.7 79.4 -35.8 16.3 56 95 A S S S+ 0 0 130 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.828 86.5 39.3 -91.7 -45.6 80.1 -39.2 17.9 57 96 A E S S- 0 0 167 1,-0.1 -1,-0.2 -29,-0.0 0, 0.0 -0.855 106.7 -93.3-100.5 141.1 81.6 -37.7 21.1 58 97 A N - 0 0 117 -2,-0.4 -2,-0.1 -3,-0.1 -1,-0.1 -0.254 36.0-163.2 -51.9 134.0 80.1 -34.6 22.7 59 98 A D > - 0 0 58 4,-0.1 3,-2.1 1,-0.1 -31,-0.1 -0.967 9.8-157.5-123.6 111.5 81.8 -31.4 21.5 60 99 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.638 93.2 58.7 -70.1 -11.8 81.0 -28.4 23.9 61 100 A N T 3 S+ 0 0 143 2,-0.1 2,-0.3 -3,-0.0 -37,-0.0 0.385 93.0 88.9 -85.6 -4.4 81.8 -26.0 21.0 62 101 A S S < S- 0 0 15 -3,-2.1 -35,-0.2 1,-0.1 -3,-0.1 -0.755 89.7-101.0-102.0 144.6 79.1 -27.5 18.8 63 102 A T - 0 0 8 -37,-0.5 -35,-2.9 -2,-0.3 2,-0.5 -0.286 41.4-140.4 -51.2 144.0 75.5 -26.6 18.5 64 103 A T E -bc 28 102A 15 37,-1.9 39,-2.4 -37,-0.2 2,-0.5 -0.975 14.6-165.3-121.5 130.6 73.5 -29.1 20.5 65 104 A L E -bc 29 103A 2 -37,-3.4 -35,-2.6 -2,-0.5 2,-0.4 -0.972 5.2-171.5-119.0 120.5 70.2 -30.5 19.3 66 105 A I E +bc 30 104A 3 37,-2.8 39,-2.5 -2,-0.5 2,-0.3 -0.939 9.6 172.6-115.5 137.0 67.9 -32.4 21.8 67 106 A I E + c 0 105A 0 -37,-2.2 2,-0.3 -2,-0.4 -32,-0.2 -0.959 13.8 114.7-143.9 154.3 64.8 -34.2 20.7 68 107 A G E - c 0 106A 0 37,-1.2 39,-1.9 -2,-0.3 2,-0.2 -0.910 52.7 -86.6 163.7 173.0 62.3 -36.5 22.3 69 108 A E E > - c 0 107A 12 -2,-0.3 3,-1.8 37,-0.2 5,-0.2 -0.651 39.6-108.8 -99.3 161.8 58.7 -37.0 23.4 70 109 A V T 3 S+ 0 0 41 37,-2.2 4,-0.2 1,-0.3 38,-0.1 0.946 120.0 57.9 -48.6 -48.8 57.1 -35.9 26.6 71 110 A D T 3 S+ 0 0 128 37,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.365 84.8 96.5 -72.4 5.6 56.9 -39.7 27.5 72 111 A D S < S- 0 0 22 -3,-1.8 2,-2.1 2,-0.1 -37,-0.0 -0.850 79.3-130.2 -91.7 128.5 60.7 -40.2 27.1 73 112 A D + 0 0 162 -2,-0.5 -2,-0.1 2,-0.0 -3,-0.1 -0.552 58.2 139.1 -77.6 78.5 62.6 -40.0 30.5 74 113 A I > + 0 0 25 -2,-2.1 4,-1.0 -4,-0.2 3,-0.5 -0.923 28.1 178.6-127.3 101.4 65.2 -37.5 29.2 75 114 A P H > S+ 0 0 89 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.684 76.9 68.6 -77.7 -22.6 66.1 -34.7 31.7 76 115 A E H > S+ 0 0 51 2,-0.2 4,-0.6 1,-0.2 -10,-0.1 0.748 101.7 52.8 -64.5 -23.9 68.7 -32.9 29.4 77 116 A L H >> S+ 0 0 0 -3,-0.5 4,-1.0 2,-0.2 3,-0.9 0.932 104.9 50.3 -75.0 -54.3 65.6 -32.0 27.3 78 117 A D H >X>S+ 0 0 93 -4,-1.0 4,-0.6 1,-0.2 5,-0.6 0.877 109.2 54.1 -50.0 -42.0 63.5 -30.5 30.1 79 118 A E H 3<5S+ 0 0 155 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.794 108.2 50.2 -62.6 -29.1 66.6 -28.3 31.0 80 119 A A H <<5S+ 0 0 16 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.628 98.9 63.2 -88.2 -15.0 66.8 -27.0 27.4 81 120 A L H X<5S- 0 0 2 -4,-1.0 3,-1.4 -3,-0.6 -1,-0.2 0.667 93.8-143.5 -84.0 -18.7 63.2 -26.0 27.1 82 121 A N T 3<5S- 0 0 130 -4,-0.6 -3,-0.1 1,-0.3 3,-0.1 0.957 73.6 -36.0 57.3 55.9 63.7 -23.4 29.8 83 122 A G T 3 S+ 0 0 0 -2,-0.3 3,-1.5 21,-0.1 7,-0.1 0.450 78.2 93.2 -99.4 -5.5 54.7 -29.9 25.5 87 126 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -17,-0.1 -16,-0.0 0.880 85.6 47.1 -51.7 -46.7 53.0 -31.8 28.4 88 127 A N T 3 S+ 0 0 125 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.498 96.2 100.8 -81.6 -1.4 50.0 -29.5 28.5 89 128 A L S < S- 0 0 17 -3,-1.5 3,-0.1 1,-0.1 48,-0.1 -0.334 76.1-103.6 -83.6 161.8 49.4 -29.6 24.7 90 129 A K > - 0 0 90 1,-0.2 3,-2.0 -2,-0.1 18,-0.2 -0.305 58.8 -65.7 -77.6 168.1 46.9 -31.5 22.6 91 130 A E T 3 S+ 0 0 120 1,-0.3 -1,-0.2 17,-0.1 3,-0.1 -0.247 124.5 25.0 -60.2 141.6 48.0 -34.6 20.6 92 131 A E T 3 S+ 0 0 7 1,-0.3 -1,-0.3 45,-0.1 2,-0.1 0.375 96.8 123.1 83.9 -2.3 50.4 -33.8 17.7 93 132 A G < + 0 0 0 -3,-2.0 15,-3.3 -7,-0.1 16,-0.6 -0.361 35.4 177.4 -83.8 169.5 51.6 -30.6 19.5 94 133 A Y E -DE 107 136A 0 42,-2.0 42,-2.3 13,-0.3 2,-0.4 -0.973 24.9-127.7-160.5 163.8 55.2 -29.9 20.4 95 134 A A E -DE 106 135A 0 11,-2.2 11,-2.1 -2,-0.3 2,-0.4 -0.931 21.7-170.5-116.1 147.4 57.5 -27.2 21.9 96 135 A L E +DE 105 134A 0 38,-2.2 38,-3.4 -2,-0.4 2,-0.4 -0.997 5.3 178.7-139.0 138.3 60.6 -25.9 20.2 97 136 A V E -DE 104 133A 5 7,-1.7 7,-2.4 -2,-0.4 2,-0.4 -0.995 9.6-179.0-141.4 130.0 63.2 -23.6 21.7 98 137 A S E +D 103 0A 0 34,-2.4 2,-0.3 -2,-0.4 34,-0.3 -0.930 26.1 132.9-129.7 112.8 66.4 -22.2 20.3 99 138 A N E > +D 102 0A 61 3,-1.3 3,-2.0 -2,-0.4 -81,-0.1 -0.977 65.7 5.0-144.3 149.0 68.6 -20.0 22.5 100 139 A D T 3 S- 0 0 133 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.808 128.8 -48.1 55.5 44.4 72.3 -19.8 23.3 101 140 A G T 3 S+ 0 0 27 1,-0.2 -37,-1.9 -38,-0.1 2,-0.3 0.527 114.0 103.1 77.7 8.3 73.5 -22.5 20.9 102 141 A K E < -cD 64 99A 95 -3,-2.0 -3,-1.3 -39,-0.2 2,-0.4 -0.937 48.0-165.0-120.9 147.4 70.9 -25.2 21.8 103 142 A I E -cD 65 98A 0 -39,-2.4 -37,-2.8 -2,-0.3 2,-0.4 -0.997 12.3-171.1-128.3 124.8 67.8 -26.4 19.9 104 143 A A E -cD 66 97A 1 -7,-2.4 -7,-1.7 -2,-0.4 2,-0.5 -0.952 7.8-171.3-121.1 135.1 65.3 -28.5 21.8 105 144 A I E +cD 67 96A 0 -39,-2.5 -37,-1.2 -2,-0.4 2,-0.6 -0.962 5.9 176.4-126.4 115.4 62.3 -30.3 20.4 106 145 A E E -cD 68 95A 6 -11,-2.1 -11,-2.2 -2,-0.5 2,-0.2 -0.930 12.1-162.5-116.3 107.4 59.7 -31.9 22.7 107 146 A G E -cD 69 94A 0 -39,-1.9 -37,-2.2 -2,-0.6 -13,-0.3 -0.620 24.7-134.2 -80.7 146.7 56.7 -33.5 21.0 108 147 A K S S- 0 0 72 -15,-3.3 -37,-0.3 -2,-0.2 2,-0.3 0.854 95.3 -8.7 -62.7 -35.3 53.5 -34.3 23.0 109 148 A D S > S- 0 0 34 -16,-0.6 4,-1.8 -39,-0.1 5,-0.1 -0.841 92.7 -82.1-143.5-178.9 53.7 -37.6 21.1 110 149 A G H > S+ 0 0 14 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.900 129.5 55.1 -54.5 -49.3 55.8 -38.9 18.2 111 150 A D H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 109.9 49.9 -43.9 -49.4 53.5 -37.3 15.6 112 151 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.858 107.5 51.9 -62.0 -38.4 54.3 -34.0 17.6 113 152 A T H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.876 109.5 50.0 -67.8 -38.8 58.1 -34.7 17.5 114 153 A F H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.935 111.1 48.2 -63.8 -47.7 58.0 -35.2 13.7 115 154 A Y H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.855 106.6 58.9 -63.5 -33.3 56.1 -31.9 13.2 116 155 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.878 106.6 46.9 -60.1 -40.6 58.6 -30.2 15.6 117 156 A V H X S+ 0 0 0 -4,-1.6 4,-3.4 -3,-0.3 -2,-0.2 0.861 107.2 57.5 -67.8 -38.2 61.4 -31.3 13.1 118 157 A Q H X S+ 0 0 4 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.943 109.6 44.7 -57.7 -45.7 59.3 -30.0 10.2 119 158 A T H >X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 3,-0.6 0.942 111.6 52.6 -63.8 -47.5 59.2 -26.6 11.9 120 159 A F H >X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 3,-0.6 0.950 106.8 53.9 -48.7 -54.0 62.9 -26.8 12.6 121 160 A K H 3< S+ 0 0 41 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.803 109.7 47.4 -51.2 -35.9 63.5 -27.6 8.9 122 161 A Q H << S+ 0 0 30 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.816 107.8 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-0.833 23.3-175.7 -87.3 128.3 49.0 -32.8 7.0 172 211 A N + 0 0 4 -29,-1.2 41,-4.4 -2,-0.5 2,-0.4 0.319 51.3 72.4-111.6 4.9 48.3 -36.2 8.5 173 212 A T E +jk 144 213D 4 -30,-2.0 -28,-2.1 39,-0.3 2,-0.4 -0.977 40.8 170.8-132.3 132.4 45.6 -37.7 6.3 174 213 A Y E -jk 145 214D 1 39,-2.1 41,-3.6 -2,-0.4 2,-0.6 -0.937 16.3-158.8-138.1 118.1 45.5 -39.1 2.7 175 214 A I E -jk 146 215D 0 -30,-3.3 -28,-2.4 -2,-0.4 2,-1.0 -0.866 7.9-149.9-101.0 118.5 42.4 -40.9 1.5 176 215 A Y E +jk 147 216D 3 39,-3.3 41,-2.2 -2,-0.6 78,-0.1 -0.780 48.8 127.6 -86.6 103.1 42.9 -43.3 -1.4 177 216 A A + 0 0 2 -30,-1.7 2,-0.1 -2,-1.0 -1,-0.1 -0.087 26.6 172.9-150.6 42.9 39.6 -43.1 -3.3 178 217 A P > - 0 0 0 0, 0.0 3,-1.3 0, 0.0 6,-0.2 -0.392 27.9-143.0 -64.4 129.7 40.2 -42.3 -7.0 179 218 A K T 3 S+ 0 0 3 -30,-1.6 7,-0.4 1,-0.3 -29,-0.2 0.839 96.7 49.7 -61.0 -38.1 36.9 -42.6 -8.9 180 219 A D T 3 S+ 0 0 63 -31,-0.6 -1,-0.3 -29,-0.5 -30,-0.1 0.450 77.9 108.0 -89.3 0.1 38.4 -44.1 -12.0 181 220 A D X> - 0 0 15 -3,-1.3 3,-1.9 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