==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUN-02 1H0C . COMPND 2 MOLECULE: SERINE--GLYOXYLATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.ZHANG,C.J.DANPURE,S.M.ROE,L.H.PEARL . 385 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.5 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 . 33 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 0 0 1 3 0 0 0 1 2 1 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 4 A H 0 0 226 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.3 16.9 43.8 31.9 2 5 A K - 0 0 182 1,-0.1 2,-0.6 2,-0.1 0, 0.0 0.313 360.0 -78.9 -69.3-167.4 15.2 41.9 29.1 3 6 A L - 0 0 158 1,-0.2 -1,-0.1 2,-0.0 0, 0.0 -0.895 33.9-148.9 -98.4 124.2 16.0 40.9 25.6 4 7 A L S S+ 0 0 177 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.2 0.952 79.1 53.2 -58.4 -54.1 15.6 43.8 23.2 5 8 A V S S- 0 0 119 3,-0.0 -1,-0.1 1,-0.0 -2,-0.0 -0.685 72.6-150.4 -92.5 136.4 14.6 41.8 20.1 6 9 A T - 0 0 90 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.716 43.8 -75.9 -99.2 153.3 11.7 39.2 20.1 7 10 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.183 61.2-105.3 -46.9 123.4 11.7 36.2 17.8 8 11 A P >> - 0 0 69 0, 0.0 4,-0.8 0, 0.0 3,-0.7 -0.307 19.9-141.9 -58.3 127.9 10.8 37.4 14.3 9 12 A K G >4 S+ 0 0 169 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.871 99.5 57.6 -54.2 -45.0 7.2 36.6 13.4 10 13 A A G >4 S+ 0 0 81 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.832 102.6 54.8 -57.6 -35.0 8.1 35.9 9.7 11 14 A L G <4 S+ 0 0 134 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.682 94.7 67.8 -72.9 -20.4 10.6 33.2 10.9 12 15 A L G << S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.518 91.8 80.1 -79.0 -2.4 7.9 31.5 12.8 13 16 A K S < S- 0 0 155 -3,-1.1 2,-0.2 -4,-0.2 3,-0.0 -0.569 94.7 -93.7 -97.5 165.9 6.3 30.6 9.5 14 17 A P - 0 0 122 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.498 41.1-105.0 -77.7 148.8 7.4 27.8 7.1 15 18 A L - 0 0 161 -2,-0.2 2,-0.4 -4,-0.1 -4,-0.0 -0.578 43.0-175.6 -71.7 125.5 9.9 28.5 4.3 16 19 A S - 0 0 109 -2,-0.4 -3,-0.0 -3,-0.0 -1,-0.0 -0.938 6.3-168.3-130.8 118.3 8.0 28.6 1.0 17 20 A I - 0 0 136 -2,-0.4 -2,-0.0 1,-0.0 3,-0.0 -0.884 19.1-126.8-113.5 133.5 9.7 29.0 -2.4 18 21 A P - 0 0 86 0, 0.0 2,-0.7 0, 0.0 -1,-0.0 -0.180 27.3-113.7 -62.5 157.0 8.0 29.8 -5.7 19 22 A N + 0 0 84 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.894 44.4 175.2 -97.1 119.9 8.7 27.5 -8.7 20 23 A Q - 0 0 85 -2,-0.7 2,-0.9 321,-0.0 321,-0.2 -0.987 32.0-135.7-127.5 138.1 10.6 29.6 -11.3 21 24 A L E -a 341 0A 39 319,-2.6 321,-2.7 -2,-0.4 2,-1.0 -0.842 26.5-144.9 -93.1 108.9 12.1 28.5 -14.6 22 25 A L E +a 342 0A 28 -2,-0.9 7,-0.5 319,-0.2 321,-0.1 -0.667 39.1 150.9 -85.0 102.3 15.5 30.2 -14.6 23 26 A L + 0 0 2 319,-1.6 335,-2.2 -2,-1.0 321,-0.2 -0.176 42.3 94.8-123.3 38.3 16.3 31.2 -18.1 24 27 A G S S- 0 0 1 3,-0.4 333,-0.1 333,-0.3 319,-0.1 -0.469 98.7 -71.1-113.5-172.1 18.5 34.2 -17.5 25 28 A P S S+ 0 0 7 0, 0.0 3,-0.1 0, 0.0 332,-0.1 0.387 101.2 18.9 -66.9 9.2 22.4 34.5 -17.3 26 29 A G S S+ 0 0 16 1,-0.5 2,-0.2 179,-0.1 179,-0.1 -0.479 88.1 40.5 128.7 152.0 22.4 32.7 -13.9 27 30 A P - 0 0 50 0, 0.0 -1,-0.5 0, 0.0 -3,-0.4 0.728 68.8-156.7 -71.2 172.3 21.9 31.1 -11.5 28 31 A S - 0 0 7 176,-1.2 -5,-0.1 181,-0.3 333,-0.0 -0.759 22.7 -83.2-114.8 166.0 20.3 28.2 -13.3 29 32 A N - 0 0 45 -7,-0.5 333,-0.2 -2,-0.3 334,-0.2 -0.230 43.5-119.6 -64.7 153.5 17.9 25.5 -12.2 30 33 A L - 0 0 59 332,-0.1 179,-0.1 2,-0.0 -1,-0.1 -0.835 17.0-127.9-103.2 129.3 19.1 22.4 -10.4 31 34 A P >> - 0 0 18 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.224 36.2-102.2 -63.1 162.8 18.7 18.8 -11.8 32 35 A P H 3> S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.816 121.0 57.5 -56.6 -37.1 17.1 16.3 -9.3 33 36 A R H 3> S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.826 105.1 49.2 -66.1 -33.5 20.5 14.8 -8.6 34 37 A I H <> S+ 0 0 1 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.943 109.9 51.6 -73.0 -45.1 22.1 18.1 -7.5 35 38 A M H X S+ 0 0 123 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.907 108.0 51.9 -56.8 -41.1 19.1 18.8 -5.2 36 39 A A H >< S+ 0 0 65 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.896 108.1 52.2 -61.5 -38.2 19.5 15.3 -3.6 37 40 A A H >< S+ 0 0 4 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.876 104.5 57.9 -64.0 -38.1 23.2 16.2 -3.1 38 41 A G H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 102.7 53.6 -64.8 -28.2 22.1 19.4 -1.3 39 42 A G T << S+ 0 0 68 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.211 81.5 116.9 -94.0 14.0 20.0 17.5 1.3 40 43 A L < - 0 0 105 -3,-1.3 226,-0.1 1,-0.1 -3,-0.0 -0.412 69.6-100.1 -81.8 160.7 22.7 15.1 2.6 41 44 A Q - 0 0 160 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.227 45.0 -96.0 -71.4 168.1 24.0 15.1 6.1 42 45 A M - 0 0 97 1,-0.0 2,-0.3 220,-0.0 -1,-0.1 -0.473 32.5-165.1 -88.4 150.4 27.3 16.7 7.0 43 46 A I - 0 0 54 -2,-0.2 2,-0.2 4,-0.0 219,-0.1 -0.832 42.3 -71.4-125.2 170.3 30.7 15.1 7.4 44 47 A G > - 0 0 42 -2,-0.3 3,-1.8 1,-0.1 6,-0.3 -0.412 36.6-134.6 -63.4 132.1 34.0 16.4 9.0 45 48 A S T 3 S+ 0 0 32 1,-0.3 215,-0.2 -2,-0.2 -1,-0.1 0.626 107.1 33.6 -63.4 -11.3 35.6 19.2 6.9 46 49 A M T 3 S+ 0 0 74 213,-0.1 -1,-0.3 4,-0.0 -2,-0.1 0.131 90.4 126.5-129.5 18.9 38.9 17.5 7.4 47 50 A S S <> S- 0 0 33 -3,-1.8 4,-1.7 1,-0.1 5,-0.1 -0.229 74.1-110.9 -71.9 165.0 37.9 13.8 7.4 48 51 A K H > S+ 0 0 174 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.905 119.9 53.6 -65.3 -35.4 39.5 11.4 5.0 49 52 A D H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.832 103.9 53.4 -66.1 -38.4 36.1 11.2 3.1 50 53 A M H > S+ 0 0 0 -6,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.906 109.5 50.4 -62.1 -40.6 35.9 14.9 2.6 51 54 A Y H X S+ 0 0 40 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.901 107.2 53.3 -64.8 -40.6 39.4 14.8 1.1 52 55 A Q H X S+ 0 0 94 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.923 110.3 46.2 -59.5 -44.1 38.4 12.0 -1.2 53 56 A I H X S+ 0 0 36 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.874 112.2 54.4 -66.9 -34.9 35.4 14.1 -2.5 54 57 A M H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.911 107.1 47.9 -64.4 -45.2 37.9 17.0 -2.8 55 58 A D H X S+ 0 0 52 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.949 110.0 53.2 -63.5 -41.7 40.2 15.0 -4.9 56 59 A E H X S+ 0 0 59 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.893 107.9 50.8 -59.6 -39.7 37.3 13.9 -7.2 57 60 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.3 0.864 108.9 52.8 -66.3 -33.8 36.3 17.5 -7.7 58 61 A K H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.3 -2,-0.2 0.965 109.9 45.4 -65.0 -50.9 39.9 18.3 -8.6 59 62 A E H X S+ 0 0 131 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.871 112.2 56.5 -57.0 -34.7 40.0 15.6 -11.2 60 63 A G H X S+ 0 0 12 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.3 0.898 107.4 45.5 -64.3 -44.2 36.6 17.0 -12.2 61 64 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.866 109.1 55.2 -69.2 -35.1 38.0 20.5 -12.7 62 65 A Q H X>S+ 0 0 51 -4,-2.4 4,-2.5 1,-0.2 5,-1.6 0.913 110.4 48.2 -62.4 -42.1 41.0 19.2 -14.7 63 66 A Y H <5S+ 0 0 81 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.925 114.5 41.4 -65.3 -50.2 38.6 17.5 -17.1 64 67 A V H <5S+ 0 0 3 -4,-2.0 121,-0.3 1,-0.2 -1,-0.2 0.797 124.6 39.3 -72.7 -24.9 36.2 20.5 -17.7 65 68 A F H <5S- 0 0 0 -4,-2.1 126,-2.4 -5,-0.2 -2,-0.2 0.793 105.8-134.3 -86.9 -31.6 39.1 22.8 -17.9 66 69 A Q T <5 + 0 0 70 -4,-2.5 126,-1.8 -5,-0.3 2,-0.3 0.966 60.2 117.8 70.7 73.1 41.2 20.3 -19.9 67 70 A T < - 0 0 11 -5,-1.6 -1,-0.3 124,-0.2 -2,-0.1 -0.971 60.2-147.2-159.2 164.0 44.4 20.7 -17.9 68 71 A R + 0 0 212 -2,-0.3 4,-0.1 -3,-0.1 -6,-0.1 0.268 46.9 147.2-120.3 7.3 46.8 18.7 -15.8 69 72 A N - 0 0 15 1,-0.2 150,-0.1 2,-0.1 -2,-0.1 -0.164 41.9-151.6 -47.9 123.4 47.8 21.6 -13.6 70 73 A P S S+ 0 0 62 0, 0.0 2,-2.4 0, 0.0 -1,-0.2 0.856 89.1 75.0 -68.4 -31.0 48.5 20.4 -10.1 71 74 A L E S+B 218 0B 2 147,-0.5 147,-2.9 2,-0.0 2,-0.4 -0.477 71.5 128.8 -83.9 75.1 47.5 23.8 -8.8 72 75 A T E +B 217 0B 0 -2,-2.4 2,-0.3 145,-0.2 145,-0.2 -0.996 25.9 123.7-130.7 127.7 43.7 23.2 -9.4 73 76 A L E -B 216 0B 0 143,-2.4 143,-2.4 -2,-0.4 2,-0.4 -0.982 51.8 -79.5-167.2-179.4 41.0 23.7 -6.8 74 77 A V E -B 215 0B 0 -2,-0.3 2,-0.5 141,-0.2 141,-0.2 -0.750 29.6-142.9 -98.4 135.3 37.7 25.3 -5.6 75 78 A I E -B 214 0B 2 139,-3.1 2,-2.8 -2,-0.4 139,-1.3 -0.871 17.6-132.7 -96.9 127.5 37.4 28.8 -4.2 76 79 A S S S+ 0 0 13 -2,-0.5 2,-0.3 161,-0.2 137,-0.2 -0.418 82.9 63.0 -77.6 65.0 34.9 29.0 -1.4 77 80 A G S S- 0 0 14 -2,-2.8 -2,-0.2 137,-0.1 135,-0.1 -0.924 90.4 -81.3-167.6 178.5 33.2 32.0 -2.9 78 81 A S > - 0 0 50 -2,-0.3 4,-1.1 133,-0.1 3,-0.2 -0.068 62.9 -72.1 -82.3-174.8 31.2 33.0 -6.0 79 82 A G H >> S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 3,-1.4 0.900 132.6 50.2 -44.2 -56.9 32.6 34.0 -9.5 80 83 A H H 3> S+ 0 0 66 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.900 104.7 58.3 -49.1 -48.4 33.9 37.3 -8.3 81 84 A C H 3> S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.787 106.3 48.4 -57.8 -28.8 35.7 35.7 -5.4 82 85 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -3,-0.2 3,-0.5 0.987 117.2 37.1 -66.4 -58.4 43.3 35.2 -9.2 87 90 A L H 3X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 3,-0.2 0.892 113.1 55.6 -60.8 -47.7 44.2 38.9 -9.2 88 91 A V H 3< S+ 0 0 6 -4,-2.9 146,-0.3 -5,-0.3 -1,-0.2 0.684 114.6 39.9 -64.9 -19.9 45.2 39.3 -5.6 89 92 A N H << S+ 0 0 3 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.689 123.1 36.3-101.9 -20.4 47.7 36.4 -5.8 90 93 A V H < S+ 0 0 0 -4,-1.4 2,-0.3 -3,-0.2 -3,-0.2 0.886 105.7 68.1 -94.7 -54.8 49.3 37.1 -9.2 91 94 A L < - 0 0 3 -4,-1.9 -1,-0.1 -5,-0.2 3,-0.1 -0.527 65.4-163.2 -72.3 128.6 49.3 40.9 -9.3 92 95 A E - 0 0 35 -2,-0.3 -3,-0.1 1,-0.1 24,-0.0 -0.850 48.2 -69.7-106.8 145.1 51.7 42.6 -6.8 93 96 A P S S+ 0 0 60 0, 0.0 24,-0.2 0, 0.0 -1,-0.1 0.011 120.3 15.0 -38.2 128.6 51.2 46.3 -6.2 94 97 A G S S+ 0 0 64 20,-0.1 23,-0.1 -3,-0.1 20,-0.0 0.999 84.5 138.7 65.4 72.7 52.0 48.5 -9.2 95 98 A D - 0 0 43 22,-0.3 50,-1.0 -4,-0.0 51,-0.1 0.611 58.2-116.6-125.1 -13.8 52.2 45.7 -11.9 96 99 A S - 0 0 25 21,-0.3 49,-1.5 48,-0.2 50,-0.6 0.685 31.3-167.0 72.4 114.0 50.6 46.8 -15.1 97 100 A F E -c 146 0B 1 47,-0.2 23,-4.4 48,-0.1 2,-0.5 -0.996 11.0-147.3-139.0 120.5 47.6 44.7 -15.9 98 101 A L E -cd 147 120B 1 48,-2.1 50,-2.3 -2,-0.4 2,-0.5 -0.848 19.9-159.2 -94.6 128.9 46.0 44.9 -19.3 99 102 A V E -c 148 0B 0 21,-2.2 2,-2.5 -2,-0.5 23,-0.5 -0.913 23.1-142.0-121.3 121.7 42.3 44.4 -19.2 100 103 A G + 0 0 0 48,-3.3 2,-1.3 -2,-0.5 50,-0.3 -0.478 33.2 179.7 -71.5 82.2 39.9 43.3 -21.9 101 104 A A B +h 123 0C 13 -2,-2.5 23,-1.4 21,-0.5 -1,-0.1 -0.635 35.0 121.0 -92.2 83.0 37.2 45.6 -20.7 102 105 A N S S+ 0 0 7 -2,-1.3 25,-0.5 21,-0.2 2,-0.3 0.225 75.5 30.1-121.9 7.2 34.3 45.1 -23.1 103 106 A G S >> S- 0 0 1 -3,-0.2 4,-1.9 23,-0.1 3,-0.9 -0.920 100.1 -84.4-153.0 176.2 31.8 44.0 -20.5 104 107 A I H 3> S+ 0 0 7 243,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.820 123.9 65.1 -58.1 -26.1 30.9 44.6 -16.9 105 108 A W H 3> S+ 0 0 38 2,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.867 100.5 44.1 -66.8 -38.9 33.5 41.9 -16.2 106 109 A G H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.924 112.1 56.4 -68.9 -41.1 36.5 43.8 -17.5 107 110 A Q H X S+ 0 0 99 -4,-1.9 4,-1.9 1,-0.3 3,-0.3 0.947 108.2 46.7 -52.8 -47.7 35.1 46.7 -15.6 108 111 A R H X S+ 0 0 94 -4,-2.7 4,-2.3 1,-0.2 -1,-0.3 0.875 108.1 55.8 -64.0 -36.6 35.2 44.4 -12.5 109 112 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.880 107.2 49.8 -65.2 -32.1 38.7 43.3 -13.3 110 113 A V H X S+ 0 0 16 -4,-2.5 4,-4.0 -3,-0.3 -2,-0.2 0.977 109.6 50.3 -67.2 -53.3 39.9 47.0 -13.3 111 114 A D H X S+ 0 0 64 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.931 113.5 44.6 -48.0 -55.5 38.3 47.8 -10.0 112 115 A I H X S+ 0 0 11 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.980 114.6 50.1 -58.3 -55.2 39.8 44.8 -8.3 113 116 A G H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 3,-0.3 0.894 112.1 46.8 -48.0 -49.4 43.2 45.6 -9.9 114 117 A E H >< S+ 0 0 120 -4,-4.0 3,-2.5 1,-0.2 -1,-0.2 0.992 108.9 55.7 -56.2 -59.1 43.1 49.2 -8.9 115 118 A R H 3< S+ 0 0 197 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.742 117.0 35.5 -45.0 -32.2 42.1 48.3 -5.3 116 119 A I H 3< 0 0 18 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.416 360.0 360.0-107.2 4.2 45.1 46.0 -5.0 117 120 A G << 0 0 37 -3,-2.5 -22,-0.3 -4,-0.8 -21,-0.3 -0.502 360.0 360.0 101.9 360.0 47.7 48.1 -7.0 118 ! 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 0.0 119 123 A V 0 0 42 0, 0.0 -21,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 128.1 46.2 48.9 -14.7 120 124 A H B -d 98 0B 57 -23,-4.4 -21,-2.2 2,-0.0 2,-2.1 -0.787 360.0-152.7-120.3 96.4 45.4 49.4 -18.4 121 125 A P - 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0 0 51 -2,-0.6 4,-1.8 1,-0.1 5,-0.2 -0.478 25.1-122.2 -77.8 143.8 41.6 40.9 -32.0 132 136 A L H > S+ 0 0 100 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.813 117.6 58.0 -48.3 -32.3 44.8 39.1 -31.7 133 137 A Q H >> S+ 0 0 67 1,-0.2 3,-2.0 2,-0.2 4,-1.6 0.999 102.5 47.9 -61.3 -72.8 46.0 42.3 -33.4 134 138 A E H 3> S+ 0 0 72 1,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.693 106.0 58.3 -43.2 -33.2 44.8 44.7 -30.7 135 139 A V H 3X S+ 0 0 0 -4,-1.8 4,-3.7 2,-0.2 -1,-0.3 0.814 102.8 52.3 -74.6 -27.7 46.2 42.8 -27.8 136 140 A E H >> -I 158 0D 0 5,-2.1 4,-2.9 -2,-0.8 3,-1.4 -0.541 10.7-177.1 -75.1 91.8 30.9 37.8 -21.8 154 158 A S T 345S+ 0 0 4 -2,-1.5 -1,-0.2 1,-0.3 5,-0.0 0.639 76.5 59.6 -68.4 -14.3 27.5 37.2 -20.2 155 159 A S T 345S+ 0 0 0 1,-0.1 192,-0.3 3,-0.1 -1,-0.3 0.594 122.4 21.3 -89.3 -11.5 26.6 40.9 -20.0 156 160 A T T <45S- 0 0 0 -3,-1.4 163,-0.2 2,-0.1 -2,-0.2 0.549 98.4-120.0-126.9 -19.9 26.9 41.4 -23.8 157 161 A G T <5 + 0 0 1 -4,-2.9 157,-3.5 1,-0.3 2,-0.4 0.533 61.1 146.8 89.4 7.1 26.5 37.9 -25.4 158 162 A V E < -IJ 153 313D 1 -5,-0.7 -5,-2.1 155,-0.2 2,-0.7 -0.657 40.3-151.3 -85.3 123.9 29.9 38.0 -27.0 159 163 A L E -I 152 0D 35 153,-3.1 -7,-0.2 -2,-0.4 -8,-0.1 -0.847 20.4-146.8 -91.2 118.2 31.9 34.8 -27.4 160 164 A Q - 0 0 1 -9,-2.9 2,-0.1 -2,-0.7 152,-0.0 -0.802 7.3-128.8 -98.9 123.1 35.5 35.8 -27.3 161 165 A P + 0 0 62 0, 0.0 -31,-0.1 0, 0.0 151,-0.0 -0.351 27.3 174.2 -63.7 140.0 38.1 33.8 -29.4 162 166 A L > + 0 0 4 -2,-0.1 4,-0.8 2,-0.0 3,-0.3 0.429 32.1 123.5-128.6 -10.7 41.2 32.7 -27.5 163 167 A D T 4 S+ 0 0 117 1,-0.2 2,-1.0 2,-0.1 31,-0.1 -0.338 86.4 8.3 -57.8 137.8 43.2 30.5 -29.9 164 168 A G T >> S+ 0 0 46 1,-0.1 4,-1.9 3,-0.0 3,-1.5 -0.247 98.9 98.6 87.4 -49.7 46.7 31.9 -30.2 165 169 A F H 3> S+ 0 0 1 -2,-1.0 4,-1.3 -3,-0.3 5,-0.3 0.814 73.5 69.9 -41.4 -36.7 46.5 34.5 -27.4 166 170 A G H >X S+ 0 0 2 -4,-0.8 4,-2.1 28,-0.4 3,-0.7 0.958 110.1 32.4 -45.9 -56.0 48.3 32.0 -25.2 167 171 A E H <> S+ 0 0 110 -3,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.920 109.9 63.1 -68.9 -46.8 51.4 32.6 -27.3 168 172 A L H 3< S+ 0 0 17 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.643 115.1 37.9 -55.0 -11.7 50.7 36.3 -28.1 169 173 A C H <<>S+ 0 0 0 -4,-1.3 5,-3.6 -3,-0.7 -1,-0.2 0.777 112.6 50.8-103.6 -46.3 51.1 36.8 -24.3 170 174 A H H ><5S+ 0 0 44 -4,-2.1 3,-1.5 -5,-0.3 -2,-0.2 0.788 104.3 67.3 -62.4 -25.2 53.8 34.3 -23.4 171 175 A R T 3<5S+ 0 0 162 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.973 104.6 38.2 -55.3 -61.6 55.5 36.2 -26.3 172 176 A Y T 3 5S- 0 0 73 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.003 123.2-103.8 -81.5 27.8 55.7 39.4 -24.2 173 177 A K T < 5S+ 0 0 64 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.813 78.4 145.3 53.5 32.6 56.5 37.4 -21.1 174 178 A C < - 0 0 1 -5,-3.6 2,-0.2 -28,-0.0 -28,-0.2 -0.830 49.4-127.9-109.0 141.6 52.9 38.0 -20.1 175 179 A L E -e 146 0B 9 -30,-2.1 -28,-2.6 -2,-0.4 2,-0.6 -0.598 20.8-135.1 -82.1 141.4 50.5 35.7 -18.2 176 180 A L E -e 147 0B 0 -2,-0.2 21,-2.0 19,-0.2 22,-2.0 -0.892 18.3-169.5-104.0 121.1 47.0 35.0 -19.7 177 181 A L E -ef 148 198B 0 -30,-2.7 -28,-2.9 -2,-0.6 2,-0.4 -0.920 7.9-169.9-108.4 122.5 44.0 35.2 -17.3 178 182 A V E -ef 149 199B 0 20,-3.1 22,-1.9 -2,-0.5 2,-0.8 -0.933 18.2-149.2-121.8 137.0 40.6 33.9 -18.6 179 183 A D E +ef 150 200B 8 -30,-2.5 -28,-1.9 -2,-0.4 -27,-1.1 -0.827 24.1 163.9 -95.3 105.6 37.1 34.2 -17.3 180 184 A S > + 0 0 0 20,-3.2 4,-1.6 -2,-0.8 22,-0.2 -0.143 32.8 122.7-114.1 44.7 35.1 31.1 -18.3 181 185 A V T 4 S+ 0 0 12 20,-0.2 25,-0.4 1,-0.2 21,-0.3 0.932 88.3 24.1 -67.8 -42.9 32.2 31.5 -15.9 182 186 A A T 4 S+ 0 0 1 -30,-0.4 134,-0.2 -3,-0.2 -1,-0.2 0.639 124.7 52.5 -95.4 -18.6 29.5 31.7 -18.6 183 187 A S T >> S+ 0 0 0 -4,-0.2 3,-2.2 -31,-0.1 4,-1.4 0.811 77.4 108.8 -89.3 -30.9 31.4 29.8 -21.3 184 188 A L T 3< S+ 0 0 7 -4,-1.6 22,-0.3 1,-0.3 23,-0.1 -0.206 93.7 4.2 -55.6 131.0 32.4 26.6 -19.4 185 189 A G T 34 S+ 0 0 2 2,-0.4 -1,-0.3 -121,-0.3 102,-0.3 0.177 124.7 70.6 82.5 -16.7 30.5 23.6 -20.6 186 190 A G T <4 S+ 0 0 1 -3,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.617 104.5 18.7-106.2 -17.7 28.7 25.6 -23.3 187 191 A T S < S- 0 0 7 -4,-1.4 -2,-0.4 128,-0.1 -1,-0.3 -0.970 96.6 -78.8-148.1 154.3 31.5 26.3 -25.8 188 192 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.235 51.4 165.5 -59.3 142.6 34.9 24.6 -26.4 189 193 A L - 0 0 3 -125,-0.1 2,-0.4 -27,-0.0 -4,-0.1 -0.955 16.1-176.8-157.5 134.6 37.7 25.6 -24.1 190 194 A Y > - 0 0 81 -2,-0.3 4,-1.2 1,-0.2 6,-0.2 -0.867 7.9-165.9-140.1 104.8 41.1 23.9 -23.6 191 195 A M T 4>S+ 0 0 0 -126,-2.4 5,-2.4 -2,-0.4 3,-0.4 0.959 86.4 34.8 -55.1 -62.3 43.2 25.5 -20.9 192 196 A D T >45S+ 0 0 66 -126,-1.8 3,-3.8 1,-0.2 -1,-0.1 0.989 117.0 49.7 -58.5 -65.0 46.5 23.8 -21.7 193 197 A R T 345S+ 0 0 223 1,-0.3 -1,-0.2 -127,-0.3 -2,-0.2 0.693 115.2 47.9 -50.5 -18.1 46.3 23.6 -25.5 194 198 A Q T 3<5S- 0 0 18 -4,-1.2 -28,-0.4 -3,-0.4 -1,-0.3 0.315 109.4-125.1-106.8 9.5 45.4 27.3 -25.5 195 199 A G T < 5 + 0 0 15 -3,-3.8 2,-0.3 1,-0.2 -19,-0.2 0.805 47.2 166.1 52.4 38.1 48.1 28.3 -23.2 196 200 A I < - 0 0 4 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.2 -0.647 22.8-161.6 -82.3 140.2 45.9 30.0 -20.6 197 201 A D S S+ 0 0 2 -21,-2.0 22,-3.2 1,-0.3 2,-0.4 0.850 75.0 19.0 -91.3 -39.6 47.7 30.6 -17.3 198 202 A I E -fG 177 218B 1 -22,-2.0 -20,-3.1 20,-0.2 2,-0.4 -0.993 69.5-177.6-133.7 126.6 44.8 31.1 -14.9 199 203 A L E +fG 178 217B 0 18,-2.0 18,-1.8 -2,-0.4 2,-0.4 -0.982 4.0 178.7-124.6 131.2 41.4 29.9 -15.7 200 204 A Y E +fG 179 216B 2 -22,-1.9 -20,-3.2 -2,-0.4 2,-0.3 -0.984 3.0 175.9-135.5 150.5 38.3 30.4 -13.5 201 205 A S E - 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