==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-APR-13 4JZ9 . COMPND 2 MOLECULE: CARBAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA LAMBLIA; . AUTHOR K.LIM,O.HERZBERG . 1264 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 912 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 8.5 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 0.2 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 . 76 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.5 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 3 1 2 1 6 3 3 1 4 1 3 0 0 0 0 4 0 0 0 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 9 7 3 5 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 . 4 4 12 7 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 4 0 0 0 1 1 0 0 0 0 0 0 1 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 M > 0 0 104 0, 0.0 3,-1.8 0, 0.0 186,-0.1 0.000 360.0 360.0 360.0 142.8 46.1 61.1 85.4 2 2 A S T 3 + 0 0 107 1,-0.3 185,-0.1 184,-0.1 46,-0.1 0.691 360.0 55.4 -48.1 -24.2 45.1 63.7 88.0 3 3 A A T 3 S+ 0 0 90 43,-0.0 -1,-0.3 44,-0.0 44,-0.1 0.733 84.5 108.7 -87.1 -19.9 48.7 64.4 88.8 4 4 A G < - 0 0 15 -3,-1.8 43,-0.1 42,-0.2 183,-0.1 -0.214 64.9-123.5 -74.6 143.1 50.2 65.3 85.4 5 5 A K - 0 0 105 1,-0.1 43,-3.5 224,-0.0 2,-0.5 -0.327 38.2-112.2 -59.3 157.6 51.5 68.5 83.9 6 6 A T E -a 48 0A 16 41,-0.2 225,-1.9 222,-0.1 224,-1.3 -0.865 28.7-168.8-103.1 131.6 49.7 69.5 80.7 7 7 A V E -ab 49 231A 0 41,-2.9 43,-2.2 -2,-0.5 2,-0.7 -0.980 11.2-152.6-118.7 129.6 51.5 69.5 77.3 8 8 A V E -ab 50 232A 0 223,-2.3 225,-2.7 -2,-0.4 2,-0.5 -0.919 20.8-169.1-100.7 114.9 50.0 71.0 74.2 9 9 A I E -ab 51 233A 0 41,-3.0 43,-2.9 -2,-0.7 2,-0.7 -0.941 11.9-157.8-116.4 128.0 51.4 69.2 71.2 10 10 A A E -ab 52 234A 0 223,-2.7 225,-2.2 -2,-0.5 43,-0.2 -0.866 10.8-152.1-111.0 100.2 51.1 70.3 67.5 11 11 A L E -a 53 0A 5 41,-2.3 43,-0.7 -2,-0.7 225,-0.1 -0.374 13.9-144.8 -66.8 146.7 51.5 67.6 64.9 12 12 A G > - 0 0 4 223,-0.5 3,-1.8 41,-0.2 4,-0.2 -0.255 37.7 -76.9-101.0-172.0 52.8 68.6 61.5 13 13 A G G >> S+ 0 0 40 1,-0.3 4,-4.0 2,-0.2 3,-1.5 0.738 124.5 66.5 -56.8 -24.0 52.1 67.5 57.9 14 14 A N G 34 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.2 21,-0.1 0.667 82.7 71.8 -82.4 -11.6 54.3 64.5 58.6 15 15 A A G <4 S+ 0 0 2 -3,-1.8 -1,-0.3 220,-0.1 20,-0.3 0.612 123.0 13.6 -70.3 -8.6 51.9 63.1 61.1 16 16 A M T <4 S+ 0 0 2 -3,-1.5 2,-0.4 1,-0.4 15,-0.3 0.593 131.3 38.6-131.4 -43.8 49.8 62.4 57.9 17 17 A L < - 0 0 29 -4,-4.0 -1,-0.4 -5,-0.1 2,-0.3 -0.944 60.8-152.4-118.7 138.4 52.0 62.8 54.8 18 18 A Q > - 0 0 70 -2,-0.4 3,-1.3 1,-0.2 -3,-0.0 -0.691 59.9 -53.9 -95.1 158.8 55.6 61.9 54.2 19 19 A A T 3 S- 0 0 65 -2,-0.3 -1,-0.2 1,-0.3 -5,-0.0 -0.010 122.2 -18.3 -34.9 113.6 57.8 63.8 51.7 20 20 A K T 3 S+ 0 0 156 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.911 95.9 153.9 47.9 56.8 55.8 63.7 48.5 21 21 A E < - 0 0 89 -3,-1.3 2,-0.3 7,-0.0 -1,-0.2 -0.762 47.5-105.1-105.1 158.3 53.5 60.8 49.4 22 22 A K - 0 0 56 -2,-0.3 2,-1.1 1,-0.1 5,-0.1 -0.703 25.0-130.0 -85.3 140.4 50.0 60.2 47.9 23 23 A G + 0 0 20 -2,-0.3 2,-0.1 4,-0.1 -1,-0.1 -0.252 50.3 142.9 -90.7 48.7 47.0 61.0 50.2 24 24 A D > - 0 0 55 -2,-1.1 4,-1.8 1,-0.1 5,-0.2 -0.502 65.1-106.6 -76.0 161.4 44.9 58.0 49.9 25 25 A Y H > S+ 0 0 15 367,-0.3 4,-2.2 1,-0.2 5,-0.2 0.883 116.2 52.4 -56.3 -43.9 43.2 57.0 53.2 26 26 A D H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 107.7 51.1 -69.5 -36.6 45.5 54.0 53.9 27 27 A T H > S+ 0 0 34 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.938 113.0 44.0 -58.3 -49.7 48.6 55.9 53.5 28 28 A Q H X S+ 0 0 8 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.873 111.0 54.7 -71.6 -33.7 47.6 58.7 55.9 29 29 A R H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.884 104.2 53.7 -65.0 -44.2 46.2 56.4 58.5 30 30 A K H X S+ 0 0 112 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.925 109.5 48.4 -58.6 -44.1 49.5 54.4 58.7 31 31 A N H X S+ 0 0 11 -4,-1.5 4,-1.6 -15,-0.3 -1,-0.2 0.803 109.3 53.9 -67.3 -28.3 51.4 57.6 59.4 32 32 A V H X S+ 0 0 5 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.881 105.4 52.2 -73.0 -38.6 48.8 58.5 62.0 33 33 A E H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.948 107.2 54.8 -59.2 -45.1 49.3 55.2 63.7 34 34 A I H X S+ 0 0 92 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.910 111.7 42.7 -51.1 -47.5 53.1 56.0 63.7 35 35 A A H >X S+ 0 0 3 -4,-1.6 4,-2.8 -20,-0.3 3,-0.6 0.916 108.8 57.6 -69.5 -45.1 52.5 59.3 65.5 36 36 A A H 3X S+ 0 0 3 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.911 102.9 56.1 -47.3 -44.0 49.9 57.9 68.0 37 37 A S H 3X S+ 0 0 58 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.868 110.6 43.1 -64.8 -32.7 52.6 55.4 69.1 38 38 A E H X S+ 0 0 1 -4,-2.8 4,-1.0 1,-0.2 3,-0.8 0.915 102.4 60.0 -66.0 -41.6 52.1 60.3 71.6 40 40 A Y H >X S+ 0 0 14 -4,-3.3 4,-3.0 1,-0.2 3,-0.5 0.850 96.4 60.6 -53.8 -39.4 51.1 57.4 73.8 41 41 A K H 3X S+ 0 0 102 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.874 103.2 51.5 -57.8 -39.9 54.6 57.4 75.4 42 42 A I H <<>S+ 0 0 0 -4,-0.9 5,-1.7 -3,-0.8 -1,-0.2 0.766 113.2 44.1 -62.5 -32.1 54.0 60.9 76.6 43 43 A H H X<5S+ 0 0 25 -4,-1.0 3,-1.0 -3,-0.5 -2,-0.2 0.828 112.1 52.3 -81.2 -39.4 50.7 59.9 78.2 44 44 A K H 3<5S+ 0 0 152 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.823 101.5 61.4 -60.7 -35.8 52.2 56.8 79.6 45 45 A A T 3<5S- 0 0 59 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.587 126.5-106.7 -73.2 -7.3 54.9 59.0 81.1 46 46 A G T < 5S+ 0 0 10 -3,-1.0 -42,-0.2 1,-0.3 -3,-0.2 0.381 72.9 136.7 104.3 -2.8 52.0 60.6 82.9 47 47 A Y < - 0 0 35 -5,-1.7 2,-0.5 -43,-0.1 -1,-0.3 -0.313 55.6-118.8 -67.6 154.0 51.5 63.9 81.2 48 48 A K E -a 6 0A 28 -43,-3.5 -41,-2.9 -45,-0.1 2,-0.5 -0.854 36.6-144.5 -92.4 137.0 48.0 65.3 80.2 49 49 A V E +a 7 0A 4 -2,-0.5 141,-1.9 -43,-0.2 2,-0.5 -0.898 27.9 179.6-115.5 124.9 47.8 65.8 76.4 50 50 A V E -ac 8 190A 0 -43,-2.2 -41,-3.0 -2,-0.5 2,-0.5 -0.989 23.0-161.0-105.4 127.0 46.1 68.2 74.1 51 51 A L E +ac 9 191A 1 139,-3.3 141,-1.9 -2,-0.5 -41,-0.2 -0.921 15.4 168.0-114.0 119.1 46.8 67.3 70.5 52 52 A T E -a 10 0A 0 -43,-2.9 -41,-2.3 -2,-0.5 2,-0.3 -0.547 6.3-179.8-111.2-176.9 46.5 69.6 67.5 53 53 A S E -ac 11 194A 0 140,-0.7 142,-2.3 139,-0.3 143,-0.9 -0.974 26.8-103.5-165.8 171.7 47.6 69.4 63.9 54 54 A G - 0 0 15 -43,-0.7 142,-0.1 -2,-0.3 161,-0.1 -0.448 15.8-162.8 -91.1 176.4 47.7 71.2 60.5 55 55 A N >> + 0 0 9 140,-0.2 4,-3.9 -2,-0.2 5,-0.6 0.274 42.8 128.9-145.3 14.8 45.4 70.3 57.5 56 56 A G H >5S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 78,-1.6 0.867 82.9 33.9 -36.5 -65.5 47.1 71.8 54.5 57 57 A P H >5S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.879 122.3 48.4 -64.6 -37.7 47.1 68.8 52.3 58 58 A Q H >5S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.897 113.8 42.3 -74.9 -44.4 43.8 67.4 53.6 59 59 A V H X5S+ 0 0 1 -4,-3.9 4,-2.7 2,-0.2 5,-0.3 0.921 112.6 56.6 -69.1 -40.7 41.7 70.6 53.4 60 60 A G H X< S+ 0 0 49 -4,-2.2 3,-1.4 2,-0.2 4,-0.3 0.940 112.4 53.3 -74.2 -45.4 35.3 72.0 42.8 68 68 A A H 3< S+ 0 0 8 -4,-2.8 3,-0.4 1,-0.3 637,-0.3 0.877 116.8 38.4 -57.6 -39.6 35.7 68.9 40.6 69 69 A A T >X S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 4,-1.5 0.296 83.2 114.3 -97.2 7.8 32.2 67.7 41.5 70 70 A A T <4 S+ 0 0 23 -3,-1.4 5,-0.2 1,-0.3 -1,-0.2 0.781 73.0 52.5 -46.2 -41.8 30.6 71.2 41.4 71 71 A G T 34 S+ 0 0 6 -3,-0.4 -1,-0.3 -4,-0.3 632,-0.1 0.672 120.4 35.5 -73.3 -12.4 28.4 70.5 38.4 72 72 A V T <4 S+ 0 0 34 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.2 0.562 127.8 21.6-121.0 -9.8 27.1 67.4 40.1 73 73 A S S < S- 0 0 7 -4,-1.5 -1,-0.4 -7,-0.2 268,-0.0 -0.954 91.9 -92.2-160.4 136.4 26.9 68.4 43.8 74 74 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.297 45.0-123.2 -63.0 132.2 26.8 71.8 45.5 75 75 A E - 0 0 79 -5,-0.2 267,-0.2 -8,-0.1 -8,-0.1 -0.590 21.8-136.6 -81.3 130.1 30.3 73.0 46.3 76 76 A M - 0 0 8 -2,-0.4 -1,-0.1 1,-0.1 -10,-0.1 -0.489 22.0-103.7 -86.2 151.1 31.1 73.9 49.9 77 77 A P > - 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.1 -0.185 34.4-106.6 -65.7 164.5 33.0 77.0 51.1 78 78 A L H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.896 121.3 54.9 -61.9 -38.4 36.6 76.7 52.2 79 79 A H H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 108.7 48.1 -67.1 -37.1 35.6 77.1 55.8 80 80 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.873 107.3 57.1 -63.1 -41.2 33.1 74.2 55.5 81 81 A C H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.911 104.5 51.6 -58.0 -42.3 35.9 72.2 53.9 82 82 A G H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 3,-0.5 0.948 106.3 54.4 -56.5 -50.5 38.0 72.7 57.0 83 83 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.3 -2,-0.2 0.908 109.8 47.5 -48.2 -48.0 35.2 71.5 59.2 84 84 A M H X S+ 0 0 3 -4,-2.4 4,-2.2 320,-0.2 -1,-0.3 0.816 108.8 54.8 -65.0 -28.6 35.1 68.4 57.1 85 85 A S H X S+ 0 0 0 -4,-1.5 4,-3.4 -3,-0.5 5,-0.4 0.852 104.0 52.8 -78.2 -31.7 38.8 68.0 57.4 86 86 A Q H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.847 108.4 52.7 -68.3 -34.0 38.7 68.1 61.1 87 87 A G H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.936 115.4 41.0 -61.1 -48.4 36.1 65.3 60.9 88 88 A F H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.982 122.8 37.2 -61.1 -62.1 38.6 63.4 58.7 89 89 A I H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -3,-0.2 0.870 115.7 53.1 -65.0 -42.0 41.7 64.1 60.6 90 90 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.4 5,-0.3 0.942 107.5 52.2 -59.8 -47.3 40.2 64.0 64.0 91 91 A Y H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.902 109.1 49.8 -54.7 -44.1 38.7 60.6 63.3 92 92 A M H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.922 113.4 46.2 -60.1 -45.8 42.1 59.2 62.3 93 93 A M H X S+ 0 0 6 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.918 114.3 44.5 -66.7 -48.3 43.8 60.5 65.4 94 94 A S H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.874 114.8 50.0 -66.0 -35.3 41.3 59.4 67.9 95 95 A Q H X S+ 0 0 4 -4,-2.0 4,-2.0 -5,-0.3 429,-0.3 0.939 115.8 41.5 -69.4 -47.7 41.0 55.9 66.3 96 96 A A H X S+ 0 0 5 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.929 115.1 52.6 -59.0 -47.4 44.7 55.5 66.3 97 97 A M H X S+ 0 0 3 -4,-3.3 4,-1.8 -5,-0.2 -2,-0.2 0.922 111.1 46.3 -58.5 -43.6 44.9 57.0 69.8 98 98 A D H X S+ 0 0 4 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.846 108.9 56.7 -64.0 -37.7 42.2 54.5 71.0 99 99 A N H X S+ 0 0 19 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.890 107.9 45.2 -65.7 -36.8 44.0 51.6 69.3 100 100 A V H X S+ 0 0 26 -4,-2.0 4,-1.3 2,-0.2 6,-0.2 0.919 111.5 53.8 -73.1 -44.2 47.4 52.2 71.1 101 101 A F H ><>S+ 0 0 0 -4,-1.8 5,-2.9 -5,-0.2 3,-0.9 0.949 111.8 44.7 -45.9 -55.2 45.6 52.6 74.4 102 102 A C H ><5S+ 0 0 38 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.847 108.5 56.4 -65.7 -32.9 43.9 49.3 73.9 103 103 A A H 3<5S+ 0 0 65 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.743 110.8 46.5 -67.9 -22.6 47.1 47.6 72.8 104 104 A N T <<5S- 0 0 75 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.015 120.3-111.2-108.1 19.7 48.6 48.8 76.1 105 105 A N T < 5S+ 0 0 144 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.718 74.5 132.6 57.8 25.3 45.6 47.6 78.1 106 106 A E < - 0 0 62 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.861 61.3-116.0-101.5 140.9 44.4 51.1 79.0 107 107 A P - 0 0 109 0, 0.0 2,-0.4 0, 0.0 -5,-0.0 -0.608 40.1-107.5 -76.6 143.2 40.7 52.0 78.5 108 108 A A + 0 0 47 -2,-0.3 2,-0.2 -10,-0.1 387,-0.2 -0.544 45.5 160.5 -77.8 120.3 40.3 54.7 75.9 109 109 A N + 0 0 45 -2,-0.4 80,-2.0 386,-0.1 2,-0.3 -0.749 31.6 115.7-133.1 101.8 39.3 58.2 76.8 110 110 A C E -d 189 0A 2 -2,-0.2 2,-0.3 78,-0.2 80,-0.2 -0.964 34.4-174.8-152.0 137.1 40.2 60.5 74.0 111 111 A V E -d 190 0A 0 78,-1.4 80,-3.5 -2,-0.3 2,-0.4 -0.990 22.2-133.8-132.1 155.5 38.0 62.7 71.8 112 112 A T E -d 191 0A 0 319,-0.3 319,-1.9 -2,-0.3 2,-0.5 -0.867 24.6-155.5 -95.9 134.2 38.3 65.0 68.8 113 113 A C E -dE 192 430A 0 78,-3.0 80,-0.5 -2,-0.4 81,-0.3 -0.946 19.8-119.5-113.1 129.5 36.4 68.3 69.2 114 114 A V - 0 0 2 315,-2.3 2,-0.4 -2,-0.5 315,-0.3 -0.435 39.7-153.9 -62.0 133.1 35.3 70.3 66.3 115 115 A T - 0 0 0 79,-0.1 83,-3.3 -2,-0.1 2,-0.4 -0.955 19.2-167.2-129.2 126.8 37.0 73.7 66.6 116 116 A Q E -i 198 0B 0 -2,-0.4 59,-2.0 81,-0.3 60,-0.5 -0.907 10.9-158.6-104.5 136.9 36.2 77.2 65.5 117 117 A T E -iJ 199 174B 0 81,-2.4 83,-3.1 -2,-0.4 57,-0.2 -0.970 12.2-136.4-120.9 122.4 38.8 79.9 65.6 118 118 A L E +iJ 200 173B 9 55,-3.0 54,-3.3 -2,-0.5 55,-1.2 -0.509 28.8 176.0 -74.4 142.6 37.9 83.6 65.7 119 119 A V E - J 0 171B 7 81,-2.4 83,-0.3 52,-0.2 95,-0.0 -0.903 36.1 -89.6-141.1 168.3 39.9 86.0 63.5 120 120 A D > - 0 0 66 50,-0.6 3,-2.0 -2,-0.3 50,-0.1 -0.720 23.6-149.7 -89.2 124.9 39.9 89.6 62.5 121 121 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 80,-0.0 0.658 99.8 49.0 -68.7 -14.3 37.8 90.5 59.4 122 122 A K T 3 S+ 0 0 188 3,-0.0 -2,-0.0 5,-0.0 2,-0.0 0.140 79.3 142.0-113.0 18.3 40.2 93.3 58.5 123 123 A D X - 0 0 26 -3,-2.0 3,-2.8 1,-0.1 4,-0.1 -0.349 62.1-122.7 -58.3 136.0 43.4 91.2 58.9 124 124 A Q G > S+ 0 0 118 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.856 110.1 71.7 -49.5 -36.2 46.0 92.1 56.2 125 125 A A G > S+ 0 0 0 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.661 82.9 70.1 -57.1 -16.8 45.9 88.5 55.2 126 126 A F G < S+ 0 0 60 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.283 106.8 37.0 -85.9 10.1 42.4 89.1 53.7 127 127 A T G < S+ 0 0 123 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.186 124.3 41.9-136.0 5.6 43.9 91.2 50.9 128 128 A N S < S- 0 0 74 -3,-0.6 2,-0.4 -4,-0.3 40,-0.3 -0.525 73.8-147.9-162.7 87.1 47.0 89.0 50.5 129 129 A P + 0 0 41 0, 0.0 -3,-0.1 0, 0.0 36,-0.0 -0.403 26.9 161.1 -60.8 111.2 46.9 85.1 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328 11 B L E -o 370 0E 4 41,-2.4 43,-0.8 -2,-0.7 225,-0.1 -0.482 13.6-153.5 -65.9 145.0 17.6 65.8 65.0 329 12 B G - 0 0 10 41,-0.2 42,-0.3 -2,-0.1 224,-0.1 0.123 39.3 -74.5 -95.9-149.4 16.3 64.6 61.6 330 13 B G S >> S+ 0 0 31 1,-0.2 3,-4.5 2,-0.2 4,-2.3 0.853 123.0 70.2 -80.6 -41.0 16.7 65.9 58.1 331 14 B N T 34 S+ 0 0 31 1,-0.3 -1,-0.2 2,-0.2 21,-0.1 0.790 87.5 67.8 -47.4 -30.0 14.3 68.8 58.7 332 15 B A T 34 S+ 0 0 2 2,-0.1 -1,-0.3 220,-0.1 20,-0.3 0.781 128.3 0.4 -57.2 -25.1 17.1 70.1 60.9 333 16 B M T <4 S+ 0 0 2 -3,-4.5 2,-0.5 1,-0.3 15,-0.3 0.663 130.1 38.2-134.4 -54.3 19.0 70.6 57.6 334 17 B L < - 0 0 15 -4,-2.3 -1,-0.3 14,-0.1 -2,-0.1 -0.950 59.4-164.8-116.0 123.0 17.3 69.6 54.4 335 18 B Q > - 0 0 75 -2,-0.5 3,-1.1 1,-0.2 2,-0.2 -0.170 48.8 -60.6 -77.5-176.2 13.6 70.1 53.7 336 19 B A T 3 S- 0 0 87 1,-0.2 -1,-0.2 -2,-0.0 3,-0.1 -0.482 122.2 -0.4 -61.6 135.1 11.6 68.5 50.9 337 20 B K T 3 S+ 0 0 176 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.676 96.0 146.1 61.6 17.2 13.0 69.3 47.5 338 21 B E 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154.7 -80.2 134.2 63.4 58.2 6.4 1205 254 D E S S+ 0 0 69 1,-0.7 58,-0.4 -2,-0.2 -1,-0.1 0.049 70.3 3.8-111.8-129.8 62.7 60.6 3.5 1206 255 D E S S+ 0 0 112 56,-0.2 -1,-0.7 52,-0.1 2,-0.2 -0.237 80.6 163.5 -48.7 145.0 61.9 59.2 0.1 1207 256 D I E -p 1264 0J 13 56,-1.6 58,-2.0 -3,-0.1 -3,-0.0 -0.790 34.8-116.8-175.6 131.9 61.7 55.4 0.2 1208 257 D K E > -p 1265 0J 93 -2,-0.2 4,-1.8 56,-0.2 5,-0.3 -0.256 31.6-112.8 -74.3 157.0 60.4 52.4 -1.9 1209 258 D L H > S+ 0 0 11 56,-1.8 4,-2.8 1,-0.2 5,-0.1 0.906 112.9 47.1 -58.6 -51.6 57.8 50.0 -0.7 1210 259 D S H >>S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 5,-0.6 0.969 107.8 57.6 -52.2 -59.8 59.9 46.8 -0.3 1211 260 D E H >5S+ 0 0 128 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.873 120.7 27.6 -35.6 -58.9 62.6 48.7 1.5 1212 261 D I H X5S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.3 0.709 111.1 71.1 -82.4 -22.2 60.2 49.8 4.2 1213 262 D L H X5S+ 0 0 28 -4,-2.8 4,-1.4 -5,-0.3 -2,-0.2 0.930 110.7 30.5 -63.4 -46.3 57.8 46.9 3.9 1214 263 D A H X5S+ 0 0 56 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.728 113.1 65.4 -84.7 -22.7 60.2 44.3 5.4 1215 264 D L H <>S+ 0 0 29 -4,-2.4 3,-2.5 1,-0.2 5,-0.5 0.978 111.4 39.3 -58.7 -65.4 58.1 47.1 9.0 1217 266 D K H 3<5S+ 0 0 156 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.660 105.4 66.9 -69.2 -14.1 57.8 43.5 10.0 1218 267 D D T 3<5S- 0 0 133 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.652 121.8-116.2 -73.2 -15.5 61.4 43.5 11.0 1219 268 D G T X 5 + 0 0 30 -3,-2.5 3,-1.6 -4,-0.4 -3,-0.2 0.541 69.3 143.8 104.8 12.4 59.8 45.8 13.6 1220 269 D H T 3 S+ 0 0 85 -2,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.798 112.8 64.1 -99.3 -34.2 52.6 55.7 17.1 1226 275 D M H > S+ 0 0 29 1,-0.2 4,-3.0 -3,-0.2 5,-0.3 0.641 87.5 81.7 -66.7 -14.0 54.4 55.4 13.7 1227 276 D G H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.980 99.7 30.3 -53.1 -71.4 53.4 51.8 13.7 1228 277 D P H > S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.738 118.2 60.7 -60.6 -26.3 49.8 52.1 12.4 1229 278 D K H X S+ 0 0 25 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.974 109.8 38.7 -67.5 -54.3 50.9 55.2 10.4 1230 279 D V H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.883 114.9 56.1 -57.2 -42.3 53.4 53.3 8.3 1231 280 D R H X S+ 0 0 69 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.877 110.8 43.4 -59.8 -39.2 51.0 50.4 8.2 1232 281 D A H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.893 112.8 52.4 -73.4 -41.1 48.3 52.7 6.7 1233 282 D A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.905 109.1 52.1 -60.2 -40.8 50.8 54.3 4.4 1234 283 D I H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.931 105.6 51.4 -62.6 -49.3 51.8 50.9 3.1 1235 284 D E H X S+ 0 0 34 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.812 109.8 51.2 -63.7 -30.1 48.4 49.6 2.3 1236 285 D F H X>S+ 0 0 0 -4,-1.4 4,-3.3 2,-0.2 5,-0.6 0.987 115.6 38.2 -67.1 -60.3 47.6 52.7 0.2 1237 286 D T H X5S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.3 -2,-0.2 0.909 116.6 52.7 -61.6 -41.5 50.7 52.6 -1.9 1238 287 D Q H <5S+ 0 0 105 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.821 117.3 39.1 -62.3 -31.1 50.6 48.8 -2.1 1239 288 D A H <5S+ 0 0 62 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.864 134.5 17.1 -88.1 -38.8 47.0 48.9 -3.3 1240 289 D T H <5S- 0 0 32 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.679 89.6-130.1-107.9 -25.4 47.1 51.9 -5.6 1241 290 D G << + 0 0 14 -4,-2.2 25,-0.4 -5,-0.6 2,-0.2 0.600 64.7 127.4 80.0 13.5 50.7 52.4 -6.3 1242 291 D K - 0 0 74 -6,-0.3 -1,-0.3 23,-0.1 -2,-0.2 -0.635 67.4 -83.1-101.6 162.5 50.5 56.2 -5.5 1243 292 D M - 0 0 35 -62,-0.5 -60,-1.5 -2,-0.2 2,-0.3 -0.384 35.4-160.8 -65.8 128.7 52.7 58.1 -3.0 1244 293 D S E -oQ11831264J 0 20,-2.1 20,-2.1 -62,-0.2 2,-0.4 -0.762 14.0-158.5-100.7 160.9 51.9 58.1 0.7 1245 294 D I E -oQ11841263J 1 -62,-1.5 -60,-3.1 -2,-0.3 2,-0.4 -0.997 16.9-170.5-148.9 131.3 53.4 60.8 2.8 1246 295 D I E +oQ11851262J 0 16,-2.8 16,-2.0 -2,-0.4 2,-0.3 -0.987 34.2 116.7-127.6 123.5 54.2 61.4 6.5 1247 296 D T E -o 1186 0J 0 -62,-1.8 -60,-2.4 -2,-0.4 -57,-0.2 -0.953 57.7 -73.3-165.8-179.9 55.3 64.8 7.8 1248 297 D S E > -o 1187 0J 9 -2,-0.3 3,-0.9 -62,-0.3 4,-0.3 -0.382 46.4-103.2 -86.6 163.5 54.5 67.7 10.1 1249 298 D L G > S+ 0 0 32 -62,-1.3 3,-1.2 1,-0.2 4,-0.3 0.891 120.1 54.3 -44.8 -47.3 51.8 70.3 9.6 1250 299 D S G 3 S+ 0 0 80 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.721 109.0 45.1 -70.5 -22.9 54.5 72.8 8.6 1251 300 D T G <> S+ 0 0 22 -3,-0.9 4,-2.5 1,-0.1 -1,-0.3 0.239 78.9 108.8-103.8 13.8 56.1 70.7 5.8 1252 301 D A H <> S+ 0 0 1 -3,-1.2 4,-1.6 -4,-0.3 5,-0.1 0.932 85.9 37.0 -58.7 -54.9 52.9 69.5 4.1 1253 302 D V H > S+ 0 0 28 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.885 114.8 57.0 -62.2 -42.0 53.2 71.6 0.9 1254 303 D D H 4>S+ 0 0 70 -4,-0.2 5,-2.1 1,-0.2 6,-0.3 0.842 107.0 50.4 -58.4 -36.8 57.0 71.1 1.0 1255 304 D A H ><5S+ 0 0 0 -4,-2.5 3,-1.8 4,-0.2 5,-0.3 0.864 104.3 54.5 -71.1 -39.2 56.3 67.3 0.9 1256 305 D L H 3<5S+ 0 0 12 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.895 104.6 57.7 -62.1 -36.5 53.9 67.4 -2.0 1257 306 D N T 3<5S- 0 0 95 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.117 117.6-120.7 -77.9 23.3 56.7 69.2 -3.8 1258 307 D G T < 5S+ 0 0 39 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.608 82.0 120.9 49.5 17.0 58.9 66.1 -3.1 1259 308 D K S