==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JAN-05 2BHX . COMPND 2 MOLECULE: PHOSPHOSERINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ALCALOPHILUS; . AUTHOR A.P.DUBNOVITSKY,R.B.G.RAVELLI,A.N.POPOV,A.C.PAPAGEORGIOU . 716 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 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 0.3 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 . 41 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 0 1 1 0 2 0 1 0 5 0 0 3 1 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 0 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 PARALLEL BRIDGES PER LADDER . 4 3 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 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 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 0 134 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.9 34.8 17.6 -19.9 2 2 A K - 0 0 127 1,-0.2 2,-0.1 0, 0.0 317,-0.0 -0.031 360.0 -78.6 -66.8 170.5 38.3 19.0 -20.5 3 3 A Q - 0 0 93 316,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.454 39.8-168.3 -76.9 146.6 41.3 17.8 -18.4 4 4 A V - 0 0 33 -2,-0.1 2,-0.6 -3,-0.1 317,-0.2 -0.993 1.4-167.7-127.4 129.7 41.9 19.1 -14.9 5 5 A F E -a 321 0A 27 315,-3.2 317,-3.1 -2,-0.4 2,-1.1 -0.962 12.7-149.0-120.8 119.2 45.3 18.4 -13.2 6 6 A N E +a 322 0A 15 -2,-0.6 7,-0.4 315,-0.2 317,-0.1 -0.718 34.5 152.9 -97.8 94.9 45.2 19.1 -9.5 7 7 A F + 0 0 0 315,-2.6 329,-1.1 -2,-1.1 -1,-0.1 -0.035 24.2 154.7-102.2 27.3 48.6 20.3 -8.2 8 8 A N - 0 0 8 390,-0.2 5,-0.4 1,-0.1 315,-0.1 -0.285 39.8-143.2 -59.7 145.7 47.1 22.3 -5.3 9 9 A A S S+ 0 0 15 1,-0.3 3,-0.2 314,-0.2 -1,-0.1 0.508 75.6 14.2 -89.9 -7.4 49.5 22.7 -2.4 10 10 A G S S+ 0 0 6 1,-1.7 391,-0.7 388,-0.1 -1,-0.3 -0.196 126.3 30.0 153.0 111.2 47.0 22.5 0.6 11 11 A P S S+ 0 0 0 0, 0.0 -1,-1.7 0, 0.0 2,-0.2 0.725 99.3 171.0 -56.8 167.5 44.1 21.5 0.6 12 12 A S - 0 0 2 187,-0.5 -3,-0.1 183,-0.4 -5,-0.1 -0.760 31.8 -42.0-147.6-178.4 44.9 19.2 -2.2 13 13 A A - 0 0 11 -7,-0.4 327,-0.3 -5,-0.4 328,-0.1 -0.227 50.3-153.4 -56.7 142.0 43.8 16.3 -4.4 14 14 A L - 0 0 7 326,-0.1 2,-0.4 325,-0.1 381,-0.1 -0.813 30.9 -94.5-110.1 159.2 42.1 13.5 -2.6 15 15 A P >> - 0 0 8 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.602 36.3-129.6 -71.5 126.5 42.0 9.9 -3.7 16 16 A K H 3> S+ 0 0 90 -2,-0.4 4,-3.0 1,-0.3 3,-0.3 0.843 103.2 58.9 -43.2 -48.8 38.8 9.5 -5.8 17 17 A P H 3> S+ 0 0 66 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.863 102.8 53.6 -58.0 -31.2 37.6 6.4 -4.0 18 18 A A H <> S+ 0 0 2 -3,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.912 114.2 42.3 -68.5 -36.7 37.6 8.3 -0.6 19 19 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.877 113.8 50.2 -74.6 -36.9 35.4 10.9 -2.2 20 20 A E H X S+ 0 0 100 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.918 111.4 49.9 -68.2 -40.6 33.1 8.5 -4.0 21 21 A R H X S+ 0 0 89 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.959 112.0 47.5 -61.4 -49.4 32.7 6.5 -0.8 22 22 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.924 112.3 50.1 -58.0 -42.3 31.8 9.7 1.1 23 23 A Q H >< S+ 0 0 50 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.925 107.1 53.2 -62.4 -45.4 29.4 10.8 -1.7 24 24 A K H 3< S+ 0 0 171 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.873 120.3 31.7 -62.9 -36.8 27.5 7.5 -1.8 25 25 A E T 3< S+ 0 0 41 -4,-1.8 11,-0.3 -5,-0.2 -1,-0.3 0.139 83.6 114.4-106.2 23.2 26.8 7.5 2.0 26 26 A L S < S+ 0 0 3 -3,-1.3 11,-0.3 1,-0.2 3,-0.2 0.824 87.4 32.5 -67.5 -30.3 26.5 11.3 2.6 27 27 A L S S+ 0 0 50 -4,-0.3 2,-0.4 -3,-0.3 -1,-0.2 0.702 130.1 31.6 -96.0 -23.9 22.9 11.1 3.5 28 28 A N S S- 0 0 58 -4,-0.2 2,-0.5 5,-0.1 3,-0.4 -0.803 71.2-174.0-142.8 96.1 22.7 7.7 5.1 29 29 A F S > S- 0 0 9 5,-3.0 3,-2.1 -2,-0.4 5,-0.4 -0.785 71.4 -12.5 -98.0 127.4 25.8 6.5 6.9 30 30 A N T 3 S- 0 0 74 -2,-0.5 -1,-0.2 1,-0.3 5,-0.0 0.844 121.0 -66.4 53.4 40.6 26.1 3.0 8.3 31 31 A D T 3 S+ 0 0 130 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.594 108.5 120.4 58.8 17.8 22.4 2.5 7.8 32 32 A T S < S- 0 0 26 -3,-2.1 -2,-0.1 2,-0.3 -1,-0.1 0.615 76.5-128.3 -81.5 -11.5 21.5 5.2 10.4 33 33 A Q S S+ 0 0 78 1,-0.3 2,-0.3 -4,-0.1 -5,-0.1 0.654 79.2 99.2 65.7 18.0 19.6 7.2 7.9 34 34 A M S S- 0 0 12 -5,-0.4 -5,-3.0 339,-0.0 -2,-0.3 -0.949 80.2-109.4-126.2 151.1 21.7 10.2 9.0 35 35 A S > - 0 0 0 -2,-0.3 3,-2.1 -7,-0.2 4,-0.3 -0.380 31.0-116.8 -64.4 153.5 24.8 11.8 7.5 36 36 A V G > S+ 0 0 4 -11,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.856 120.5 62.1 -62.6 -26.3 28.0 11.2 9.5 37 37 A M G 3 S+ 0 0 1 -11,-0.3 335,-0.4 1,-0.2 524,-0.3 0.575 101.3 51.3 -69.0 -12.7 27.9 15.0 9.8 38 38 A E G < S+ 0 0 19 -3,-2.1 -1,-0.2 333,-0.1 2,-0.2 0.321 91.4 101.6-106.9 2.9 24.5 14.7 11.7 39 39 A L S < S- 0 0 3 -3,-1.1 2,-0.2 -4,-0.3 202,-0.1 -0.543 77.0-109.4 -89.2 155.1 25.6 12.1 14.3 40 40 A S > - 0 0 23 -2,-0.2 3,-1.4 1,-0.1 6,-0.4 -0.525 23.0-132.0 -70.2 141.7 26.6 12.6 17.9 41 41 A H T 3 S+ 0 0 19 329,-0.4 -1,-0.1 1,-0.3 9,-0.1 0.548 110.9 59.2 -76.3 -0.6 30.3 12.1 18.4 42 42 A R T 3 S+ 0 0 130 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.384 83.5 108.4 -98.6 -4.7 29.2 9.9 21.3 43 43 A S S <> S- 0 0 30 -3,-1.4 4,-2.6 1,-0.1 5,-0.2 -0.360 78.8-124.6 -68.3 152.0 27.3 7.6 18.9 44 44 A Q H > S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.870 111.1 57.9 -70.9 -28.0 28.7 4.2 18.3 45 45 A S H > S+ 0 0 15 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.941 111.8 40.9 -65.7 -42.3 28.7 4.9 14.5 46 46 A Y H > S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 5,-0.2 0.877 112.2 54.1 -68.4 -44.1 30.9 7.9 15.1 47 47 A E H X S+ 0 0 72 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.893 104.5 56.0 -61.7 -34.1 33.1 6.3 17.6 48 48 A E H X S+ 0 0 76 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.894 109.8 45.8 -57.0 -44.8 33.8 3.4 15.2 49 49 A V H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.936 112.9 49.3 -64.3 -46.7 35.0 5.9 12.7 50 50 A H H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.943 115.5 43.4 -62.7 -48.1 37.2 7.8 15.2 51 51 A E H X S+ 0 0 89 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.917 112.3 52.8 -65.0 -43.8 38.8 4.6 16.5 52 52 A Q H X S+ 0 0 73 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.923 105.7 54.0 -61.9 -39.3 39.3 3.2 13.0 53 53 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.942 111.5 46.5 -60.8 -41.2 41.1 6.3 11.9 54 54 A Q H X S+ 0 0 12 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.947 113.3 48.1 -61.3 -47.1 43.4 5.9 14.8 55 55 A N H X S+ 0 0 73 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.867 109.7 51.5 -68.7 -36.7 44.0 2.2 14.2 56 56 A L H X S+ 0 0 11 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.938 112.2 47.2 -61.9 -45.4 44.7 2.7 10.5 57 57 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 6,-0.2 0.950 112.3 50.5 -59.2 -47.1 47.3 5.3 11.3 58 58 A R H X>S+ 0 0 57 -4,-2.6 5,-1.9 1,-0.2 4,-0.8 0.924 115.7 41.5 -54.2 -50.1 48.8 3.1 14.0 59 59 A E H <5S+ 0 0 108 -4,-2.7 3,-0.3 3,-0.2 -1,-0.2 0.936 115.3 50.5 -66.9 -44.3 49.0 0.2 11.6 60 60 A L H <5S+ 0 0 11 -4,-2.9 200,-0.4 -5,-0.2 -2,-0.2 0.883 124.1 26.8 -67.3 -39.5 50.2 2.2 8.6 61 61 A L H <5S- 0 0 1 -4,-2.6 123,-0.5 -5,-0.2 -1,-0.2 0.422 105.8-123.8 -98.7 1.1 53.0 4.1 10.3 62 62 A Q T <5 - 0 0 132 -4,-0.8 122,-0.2 -3,-0.3 -3,-0.2 0.960 36.7-165.7 48.7 62.0 53.6 1.3 12.9 63 63 A I < - 0 0 6 -5,-1.9 -1,-0.2 -6,-0.2 6,-0.1 -0.662 19.1-115.6 -77.8 129.3 53.1 3.6 15.8 64 64 A P > - 0 0 34 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.192 21.6-113.2 -60.6 153.5 54.2 2.1 19.1 65 65 A N T 3 S+ 0 0 138 1,-0.3 -2,-0.1 3,-0.0 -7,-0.0 0.574 113.0 64.8 -64.5 -13.2 51.6 1.4 21.9 66 66 A D T 3 S+ 0 0 74 2,-0.0 144,-2.2 144,-0.0 145,-0.4 0.320 92.2 79.5 -98.0 13.1 53.2 4.1 24.1 67 67 A Y E < -B 209 0B 7 -3,-1.8 2,-0.4 142,-0.2 142,-0.2 -0.915 67.9-152.6-110.5 145.4 52.2 6.7 21.7 68 68 A Q E -B 208 0B 31 140,-2.6 140,-3.0 -2,-0.4 2,-0.6 -0.897 11.0-133.9-115.7 151.3 48.7 8.2 21.3 69 69 A I E -B 207 0B 0 -2,-0.4 2,-0.3 138,-0.2 138,-0.2 -0.922 22.5-164.8-102.9 118.9 47.1 9.6 18.2 70 70 A L E -B 206 0B 0 136,-3.3 136,-2.4 -2,-0.6 2,-0.5 -0.791 13.7-157.0-103.2 146.8 45.3 13.0 18.7 71 71 A F E +B 205 0B 4 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.964 30.0 171.1-119.9 106.8 42.8 14.6 16.3 72 72 A L E -B 204 0B 9 132,-2.6 132,-2.5 -2,-0.5 3,-0.3 -0.794 28.6-128.8-119.2 155.2 42.8 18.3 17.1 73 73 A Q S S+ 0 0 18 -2,-0.3 130,-0.1 130,-0.2 360,-0.0 -0.594 76.0 66.4 -91.4 167.5 41.4 21.5 15.5 74 74 A G S > S- 0 0 2 -2,-0.2 4,-1.1 522,-0.1 -1,-0.2 0.253 91.0-110.2 113.2 -10.8 43.4 24.6 14.7 75 75 A G H > - 0 0 3 -3,-0.3 4,-1.1 2,-0.2 3,-0.5 -0.027 48.9 -62.0 78.9 173.2 45.7 23.5 12.0 76 76 A A H > S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.865 132.5 67.9 -62.7 -31.3 49.5 23.0 12.2 77 77 A S H > S+ 0 0 13 1,-0.3 4,-0.7 2,-0.2 3,-0.4 0.896 95.8 51.6 -59.2 -38.7 49.6 26.7 13.0 78 78 A L H >X S+ 0 0 12 -4,-1.1 4,-2.7 -3,-0.5 3,-0.8 0.851 104.3 58.9 -67.0 -30.4 47.9 26.1 16.3 79 79 A Q H 3X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.807 91.2 70.2 -66.2 -28.1 50.5 23.4 17.1 80 80 A F H 3< S+ 0 0 7 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.874 113.6 27.0 -56.4 -34.4 53.2 26.1 16.7 81 81 A T H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 3,-0.6 0.976 111.8 37.8 -66.8 -55.8 53.9 22.8 21.6 84 84 A P H 3> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.898 111.6 62.3 -63.5 -33.5 55.9 25.5 23.4 85 85 A M H 3< S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.876 114.8 32.5 -57.4 -30.5 52.9 26.1 25.7 86 86 A N H << S+ 0 0 6 -4,-1.5 -1,-0.2 -3,-0.6 -3,-0.1 0.875 134.9 20.8 -93.4 -34.3 53.2 22.6 27.0 87 87 A L H < S+ 0 0 30 -4,-2.6 2,-1.8 -5,-0.2 -2,-0.2 0.661 95.5 89.3-113.4 -18.9 56.9 21.8 26.9 88 88 A L < + 0 0 15 -4,-1.9 2,-0.2 -5,-0.4 -1,-0.1 -0.600 61.2 171.3 -85.0 82.4 58.8 25.1 26.9 89 89 A T > - 0 0 77 -2,-1.8 3,-2.4 1,-0.2 26,-0.2 -0.496 42.5 -68.0 -94.5 166.5 59.1 25.5 30.6 90 90 A K T 3 S+ 0 0 104 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.215 121.5 19.2 -54.2 134.8 61.1 28.1 32.5 91 91 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.266 107.4 104.4 86.9 -4.0 64.8 27.6 32.2 92 92 A T < - 0 0 29 -3,-2.4 23,-0.7 50,-0.0 2,-0.4 -0.595 61.9-131.9-109.0 168.2 64.4 25.5 29.1 93 93 A I E -cd 115 142B 9 48,-2.2 50,-3.5 -2,-0.2 51,-1.0 -0.952 6.5-140.3-127.2 134.7 65.0 26.3 25.4 94 94 A G E -cd 116 144B 0 21,-3.3 23,-2.3 -2,-0.4 2,-0.5 -0.835 29.9-161.5 -92.0 105.8 62.9 25.7 22.3 95 95 A N E -cd 117 145B 0 49,-1.6 51,-3.2 -2,-1.0 2,-0.4 -0.811 8.5-169.7 -98.1 127.8 65.6 24.6 19.8 96 96 A Y E -cd 118 146B 1 21,-2.4 23,-2.0 -2,-0.5 24,-0.8 -0.907 22.6-149.0-121.4 138.1 64.7 24.9 16.1 97 97 A V E -c 120 0B 0 49,-2.9 2,-0.7 -2,-0.4 51,-0.3 -0.924 25.0-147.1 -99.6 119.2 66.2 23.7 12.9 98 98 A L E +c 121 0B 7 22,-2.2 24,-1.6 -2,-0.7 25,-0.3 -0.771 39.4 146.7 -91.6 114.1 65.3 26.2 10.2 99 99 A T - 0 0 0 -2,-0.7 2,-0.3 1,-0.2 57,-0.2 0.264 68.9 -17.1-129.0 11.6 64.8 24.7 6.7 100 100 A G S > S- 0 0 0 1,-0.1 4,-1.5 53,-0.1 -1,-0.2 -0.969 84.4 -64.2 177.1-169.2 62.1 27.0 5.4 101 101 A S H > S+ 0 0 12 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.844 124.9 55.3 -65.2 -42.1 59.3 29.5 6.1 102 102 A W H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 105.4 53.3 -63.3 -35.8 57.2 27.1 8.0 103 103 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 108.7 50.2 -62.0 -41.4 60.2 26.4 10.3 104 104 A E H X S+ 0 0 54 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.892 107.6 52.9 -62.7 -38.8 60.4 30.2 10.9 105 105 A K H X S+ 0 0 56 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.911 109.4 49.3 -64.1 -37.4 56.7 30.4 11.7 106 106 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-0.2 0.954 111.8 49.2 -61.6 -48.0 57.1 27.7 14.3 107 107 A L H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.917 104.2 58.7 -58.2 -45.7 60.1 29.4 15.9 108 108 A K H X S+ 0 0 107 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.907 104.8 50.7 -54.7 -42.4 58.3 32.8 16.1 109 109 A E H < S+ 0 0 7 -4,-1.4 3,-0.5 1,-0.2 4,-0.4 0.898 108.6 50.5 -68.1 -35.9 55.6 31.3 18.2 110 110 A A H >X S+ 0 0 0 -4,-1.6 3,-2.1 1,-0.2 4,-1.8 0.884 102.2 62.9 -66.4 -33.4 58.0 29.7 20.7 111 111 A K H 3< S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 97.5 58.1 -60.0 -27.4 59.7 33.1 20.9 112 112 A L T 3< S+ 0 0 51 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.723 116.7 33.1 -70.4 -19.8 56.5 34.5 22.4 113 113 A L T <4 S- 0 0 63 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.2 0.501 121.4 -27.8-121.0 -15.0 56.7 32.0 25.2 114 114 A G S < S- 0 0 33 -4,-1.8 2,-0.3 -20,-0.1 -1,-0.2 -0.965 83.8 -35.5-173.8-170.3 60.2 31.2 26.2 115 115 A E E -c 93 0B 128 -23,-0.7 -21,-3.3 -2,-0.3 2,-0.3 -0.609 55.5-171.5 -69.2 130.1 63.9 30.9 25.3 116 116 A T E -c 94 0B 29 -2,-0.3 2,-0.3 -23,-0.3 -21,-0.2 -0.826 8.7-168.7-121.5 163.2 64.5 29.7 21.8 117 117 A H E -c 95 0B 46 -23,-2.3 -21,-2.4 -2,-0.3 2,-0.6 -0.957 22.2-129.7-143.0 157.5 67.7 28.7 19.9 118 118 A I E -c 96 0B 73 -2,-0.3 -21,-0.2 -23,-0.2 19,-0.1 -0.924 18.3-173.4-111.9 109.1 68.6 27.9 16.3 119 119 A A E S- 0 0 4 -23,-2.0 18,-2.9 -2,-0.6 2,-0.3 0.886 70.8 -22.3 -68.1 -37.9 70.3 24.6 16.1 120 120 A A E -c 97 0B 9 -24,-0.8 -22,-2.2 16,-0.2 2,-0.3 -0.934 65.0-168.4-167.7 156.2 71.2 24.9 12.4 121 121 A S E -c 98 0B 45 -2,-0.3 -22,-0.2 -24,-0.2 3,-0.1 -0.979 24.7-166.3-156.9 142.2 69.7 26.9 9.5 122 122 A T > > + 0 0 9 -24,-1.6 5,-2.7 -2,-0.3 3,-0.6 -0.014 61.9 114.1-111.4 21.2 70.0 27.1 5.7 123 123 A K G > 5 + 0 0 113 -25,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.864 65.5 63.6 -62.6 -29.5 68.3 30.4 5.6 124 124 A A G 3 5S+ 0 0 97 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.880 107.2 42.3 -64.8 -35.2 71.4 32.2 4.4 125 125 A N G < 5S- 0 0 105 -3,-0.6 3,-0.3 4,-0.1 -1,-0.3 0.003 126.0 -99.5-100.5 27.0 71.4 30.2 1.1 126 126 A S T < 5 - 0 0 72 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.794 65.1 -71.7 64.4 33.7 67.6 30.6 0.7 127 127 A Y S - 0 0 107 1,-0.1 3,-2.3 2,-0.1 4,-0.2 -0.431 28.1-129.2 -62.0 136.8 74.1 18.4 8.0 133 133 A F G > S+ 0 0 61 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.832 107.0 67.1 -65.0 -26.2 73.1 16.8 11.4 134 134 A S G 3 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.726 93.1 60.9 -63.6 -16.7 76.7 17.3 12.5 135 135 A E G < S+ 0 0 99 -3,-2.3 2,-0.4 2,-0.1 -1,-0.3 0.568 75.6 122.0 -87.8 -0.6 76.1 21.1 12.3 136 136 A F < - 0 0 22 -3,-1.9 2,-0.9 -4,-0.2 -16,-0.2 -0.441 54.5-149.3 -69.7 119.0 73.3 20.9 14.9 137 137 A Q - 0 0 126 -18,-2.9 2,-0.3 -2,-0.4 -1,-0.1 -0.794 23.2-170.3 -84.0 104.8 74.1 23.1 17.9 138 138 A L - 0 0 71 -2,-0.9 2,-0.4 -19,-0.0 7,-0.0 -0.733 10.0-151.2-100.9 148.6 72.4 21.3 20.9 139 139 A N > - 0 0 34 -2,-0.3 3,-1.7 -46,-0.1 -46,-0.1 -0.934 19.5-133.1-117.8 140.4 71.8 22.7 24.4 140 140 A E T 3 S+ 0 0 105 -2,-0.4 -1,-0.1 1,-0.3 -48,-0.0 0.814 109.5 49.3 -61.9 -30.1 71.6 20.7 27.7 141 141 A N T 3 S+ 0 0 75 -49,-0.1 -48,-2.2 26,-0.0 -1,-0.3 0.063 78.7 136.9 -97.8 24.2 68.5 22.7 28.7 142 142 A D E < -d 93 0B 10 -3,-1.7 -48,-0.2 -50,-0.2 3,-0.1 -0.548 45.0-155.7 -63.2 130.9 66.7 22.2 25.3 143 143 A A E S- 0 0 16 -50,-3.5 2,-0.3 1,-0.3 -49,-0.2 0.805 74.4 -30.3 -75.2 -29.5 63.0 21.4 25.9 144 144 A Y E -d 94 0B 0 -51,-1.0 -49,-1.6 23,-0.2 2,-0.5 -0.971 58.3-114.1-168.1 168.2 62.9 19.8 22.5 145 145 A L E -de 95 169B 0 23,-3.1 25,-3.2 -2,-0.3 2,-0.5 -0.992 34.7-155.8-116.5 126.9 64.5 20.0 19.1 146 146 A H E +de 96 170B 0 -51,-3.2 -49,-2.9 -2,-0.5 2,-0.3 -0.861 16.0 172.8-109.2 129.4 62.0 21.0 16.4 147 147 A I E - 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