==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 01-JAN-97 1EZB . COMPND 2 MOLECULE: ENZYME I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.S.GARRETT,A.M.GRONENBORN,G.M.CLORE . 259 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 184 0, 0.0 2,-0.8 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0-152.2 20.0 5.9 16.4 2 2 A I - 0 0 47 225,-0.4 2,-0.6 204,-0.0 225,-0.6 -0.843 360.0-175.5-100.3 107.0 17.1 4.4 14.4 3 3 A S + 0 0 88 -2,-0.8 223,-0.1 223,-0.1 2,-0.1 -0.895 5.9 176.0-105.4 120.3 17.4 0.6 14.6 4 4 A G - 0 0 12 -2,-0.6 201,-0.1 221,-0.2 178,-0.1 -0.178 47.0 -88.7-104.1-159.3 14.8 -1.3 12.5 5 5 A I - 0 0 100 -2,-0.1 197,-0.1 180,-0.0 -2,-0.0 0.452 52.8-131.0 -96.4 1.7 14.4 -5.1 11.9 6 6 A L - 0 0 63 1,-0.1 196,-0.2 2,-0.0 -3,-0.0 0.905 23.1-168.4 49.9 97.8 16.7 -5.2 8.8 7 7 A A - 0 0 31 194,-2.6 195,-0.2 1,-0.3 -1,-0.1 0.925 66.7 -7.2 -83.5 -46.8 14.8 -7.1 6.1 8 8 A S B S-A 201 0A 17 193,-1.2 193,-1.0 2,-0.1 -1,-0.3 -0.998 74.3-106.6-149.2 150.1 17.7 -7.6 3.6 9 9 A P + 0 0 102 0, 0.0 214,-0.2 0, 0.0 213,-0.2 -0.406 61.4 108.8 -73.6 150.0 21.4 -6.4 3.3 10 10 A G - 0 0 26 212,-0.5 2,-0.4 211,-0.4 -2,-0.1 -0.190 55.6-125.8 146.1 121.4 22.3 -3.7 0.6 11 11 A I + 0 0 16 211,-0.1 2,-0.3 -2,-0.1 210,-0.2 -0.698 35.0 171.2 -88.6 135.1 23.3 -0.0 0.8 12 12 A A E -E 220 0B 12 208,-1.5 208,-2.2 -2,-0.4 2,-0.4 -0.975 19.8-149.7-139.0 153.9 21.2 2.4 -1.4 13 13 A F E +E 219 0B 36 -2,-0.3 2,-0.3 206,-0.2 206,-0.2 -0.972 34.6 122.8-125.0 140.6 21.0 6.2 -1.7 14 14 A G E -E 218 0B 12 204,-1.4 204,-1.9 -2,-0.4 142,-0.1 -0.981 56.5 -79.5-179.1 170.2 18.0 8.3 -2.6 15 15 A K E -E 217 0B 94 140,-0.3 142,-1.8 -2,-0.3 2,-0.5 -0.433 52.0-102.2 -79.5 158.8 15.6 11.1 -1.6 16 16 A A E -b 157 0A 2 200,-3.4 199,-4.6 197,-0.2 2,-0.7 -0.698 31.7-162.8 -83.3 126.9 12.8 10.4 0.9 17 17 A L E -b 158 0A 52 140,-1.4 142,-2.0 -2,-0.5 2,-0.3 -0.880 9.1-164.3-109.9 103.4 9.4 10.0 -0.8 18 18 A L E -b 159 0A 31 -2,-0.7 2,-0.8 140,-0.1 142,-0.2 -0.687 13.5-138.8 -88.0 140.0 6.7 10.5 1.8 19 19 A L - 0 0 61 140,-1.0 2,-0.5 -2,-0.3 142,-0.2 -0.842 24.8-176.5 -99.0 112.3 3.1 9.3 0.9 20 20 A K - 0 0 125 -2,-0.8 2,-0.4 140,-0.1 140,-0.0 -0.918 1.6-174.9-110.2 132.0 0.7 11.9 2.2 21 21 A E - 0 0 98 -2,-0.5 2,-0.3 3,-0.0 3,-0.0 -0.977 24.4-124.7-126.9 140.1 -3.1 11.3 1.9 22 22 A D - 0 0 133 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.614 36.0-109.8 -80.6 137.8 -6.0 13.6 2.8 23 23 A E - 0 0 175 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.289 32.5-115.2 -62.1 150.5 -8.5 12.1 5.2 24 24 A I - 0 0 30 -3,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.734 25.9-152.9 -90.2 134.8 -11.9 11.3 3.6 25 25 A V - 0 0 108 -2,-0.4 2,-0.4 2,-0.0 0, 0.0 -0.901 5.3-145.7-108.9 131.4 -14.8 13.3 5.0 26 26 A I - 0 0 37 -2,-0.5 2,-0.6 75,-0.0 112,-0.0 -0.751 14.0-130.4 -94.3 140.3 -18.4 11.8 4.9 27 27 A D - 0 0 88 -2,-0.4 72,-0.3 1,-0.1 75,-0.2 -0.774 18.8-172.7 -91.3 123.0 -21.3 14.2 4.4 28 28 A R + 0 0 169 -2,-0.6 -1,-0.1 70,-0.1 2,-0.1 0.191 38.7 130.4-100.0 18.3 -24.1 13.5 7.0 29 29 A K - 0 0 166 1,-0.1 2,-0.5 69,-0.0 70,-0.3 -0.440 60.7-121.6 -70.4 145.3 -26.7 15.9 5.4 30 30 A K - 0 0 183 -2,-0.1 2,-0.2 68,-0.1 68,-0.1 -0.736 28.6-151.2 -88.1 130.0 -30.2 14.3 5.0 31 31 A I - 0 0 25 66,-0.9 2,-0.2 -2,-0.5 -1,-0.0 -0.529 12.1-115.7 -96.0 167.3 -31.3 14.3 1.3 32 32 A S >> - 0 0 60 -2,-0.2 4,-0.9 1,-0.1 3,-0.8 -0.520 33.5-100.0 -95.8 167.7 -34.9 14.5 -0.0 33 33 A A H 3> S+ 0 0 80 1,-0.2 4,-0.6 2,-0.2 3,-0.1 0.763 119.7 65.7 -59.3 -21.4 -36.7 11.8 -2.1 34 34 A D H 34 S+ 0 0 126 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.920 105.1 40.1 -69.6 -41.2 -35.9 13.8 -5.2 35 35 A Q H <> S+ 0 0 85 -3,-0.8 4,-1.6 1,-0.2 3,-0.3 0.586 93.3 87.8 -84.1 -7.4 -32.1 13.3 -4.9 36 36 A V H X S+ 0 0 13 -4,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.911 83.2 57.2 -58.5 -39.8 -32.5 9.7 -3.8 37 37 A D H X S+ 0 0 118 -4,-0.6 4,-1.7 -3,-0.4 -1,-0.2 0.918 103.2 54.5 -58.5 -40.2 -32.5 8.6 -7.5 38 38 A Q H > S+ 0 0 95 -4,-0.4 4,-2.2 -3,-0.3 5,-0.2 0.907 102.7 56.5 -61.8 -40.4 -29.1 10.3 -7.9 39 39 A E H X S+ 0 0 22 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.933 105.3 50.9 -59.7 -44.0 -27.5 8.3 -5.0 40 40 A V H X S+ 0 0 43 -4,-1.6 4,-3.6 2,-0.2 5,-0.5 0.927 108.8 51.9 -61.5 -41.8 -28.5 4.9 -6.6 41 41 A E H X>S+ 0 0 120 -4,-1.7 4,-3.1 1,-0.2 5,-0.5 0.961 110.5 47.2 -60.3 -49.2 -26.9 5.9 -10.0 42 42 A R H X5S+ 0 0 130 -4,-2.2 4,-1.9 3,-0.2 -1,-0.2 0.906 118.3 43.6 -60.3 -38.0 -23.6 6.9 -8.3 43 43 A F H X5S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.987 120.7 37.1 -71.8 -59.4 -23.7 3.7 -6.3 44 44 A L H X5S+ 0 0 85 -4,-3.6 4,-1.1 1,-0.2 -3,-0.2 0.949 124.1 43.8 -59.2 -45.4 -24.7 1.3 -9.2 45 45 A S H X5S+ 0 0 62 -4,-3.1 4,-1.4 -5,-0.5 3,-0.5 0.915 109.1 57.4 -67.8 -38.8 -22.6 3.2 -11.6 46 46 A G H XX S+ 0 0 82 -4,-2.4 4,-1.5 1,-0.2 3,-0.6 0.949 110.3 50.5 -66.3 -45.4 -7.6 -5.1 -13.2 57 57 A I H 3X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.903 100.1 65.6 -60.0 -38.3 -5.6 -5.1 -9.9 58 58 A K H 3X S+ 0 0 39 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.910 103.5 46.2 -51.3 -42.4 -6.6 -8.7 -9.3 59 59 A T H S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 5,-1.0 0.882 114.1 42.1 -61.8 -34.7 -1.5 -9.5 -8.1 62 62 A G H <5S+ 0 0 13 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.874 119.5 41.8 -81.3 -36.6 -1.3 -12.7 -10.2 63 63 A E H <5S+ 0 0 158 -4,-3.2 -2,-0.2 3,-0.1 -3,-0.2 0.742 121.3 43.4 -81.7 -20.3 1.2 -11.3 -12.8 64 64 A T H <5S+ 0 0 60 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.918 137.7 5.7 -88.6 -51.9 3.3 -9.6 -10.1 65 65 A F T <5S- 0 0 59 -4,-1.6 -3,-0.2 -5,-0.4 3,-0.2 0.663 112.3-100.8-107.3 -21.0 3.5 -12.2 -7.4 66 66 A G >>< - 0 0 25 -5,-1.0 3,-1.7 -6,-0.2 4,-1.2 -0.443 46.0 -59.9 120.0 164.2 1.8 -15.3 -9.0 67 67 A E H 3> S+ 0 0 153 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.770 121.2 75.2 -52.9 -24.9 -1.6 -17.0 -8.9 68 68 A E H 34 S+ 0 0 162 1,-0.2 4,-0.4 -3,-0.2 -1,-0.3 0.910 104.5 34.6 -58.2 -39.6 -1.1 -17.6 -5.2 69 69 A K H X> S+ 0 0 68 -3,-1.7 4,-1.3 -8,-0.3 3,-0.6 0.730 105.2 72.0 -87.1 -22.1 -1.9 -14.0 -4.4 70 70 A E H 3X S+ 0 0 52 -4,-1.2 4,-1.9 -9,-0.3 -2,-0.2 0.894 90.5 60.4 -60.8 -37.6 -4.5 -13.6 -7.2 71 71 A A H 3X S+ 0 0 58 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.863 99.6 56.5 -60.7 -33.8 -7.0 -15.8 -5.3 72 72 A I H <> S+ 0 0 71 -3,-0.6 4,-1.3 -4,-0.4 -1,-0.2 0.942 108.8 45.0 -65.9 -43.5 -7.0 -13.3 -2.4 73 73 A F H X S+ 0 0 17 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.860 106.3 60.9 -69.4 -32.1 -8.0 -10.4 -4.6 74 74 A E H X S+ 0 0 116 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.911 101.5 54.1 -61.6 -38.5 -10.7 -12.5 -6.3 75 75 A G H X S+ 0 0 22 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.920 103.0 55.6 -63.4 -41.9 -12.4 -13.0 -2.9 76 76 A H H X S+ 0 0 12 -4,-1.3 4,-1.5 1,-0.2 3,-0.3 0.925 103.4 55.5 -59.3 -40.5 -12.6 -9.2 -2.3 77 77 A I H X S+ 0 0 12 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.908 100.7 59.3 -59.8 -38.6 -14.5 -8.8 -5.6 78 78 A M H < S+ 0 0 119 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.906 101.1 55.3 -58.1 -39.7 -17.1 -11.3 -4.5 79 79 A L H >< S+ 0 0 24 -4,-1.4 3,-1.4 -3,-0.3 -1,-0.2 0.956 108.1 47.2 -59.7 -48.8 -17.9 -9.1 -1.5 80 80 A L H 3< S+ 0 0 35 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.911 116.1 45.0 -60.1 -41.3 -18.6 -6.1 -3.7 81 81 A E T 3< S+ 0 0 95 -4,-2.2 2,-0.4 4,-0.1 -1,-0.3 0.347 81.6 127.7 -86.5 9.9 -20.8 -8.2 -6.1 82 82 A D <> - 0 0 49 -3,-1.4 4,-1.7 -4,-0.3 3,-0.1 -0.506 54.6-149.2 -68.4 122.3 -22.7 -9.9 -3.2 83 83 A E H > S+ 0 0 138 -2,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.714 94.1 61.8 -66.5 -16.4 -26.4 -9.5 -3.9 84 84 A E H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.954 103.6 44.0 -74.8 -51.2 -26.9 -9.5 -0.2 85 85 A L H > S+ 0 0 20 1,-0.2 4,-2.7 -6,-0.2 5,-0.3 0.882 109.4 60.1 -62.7 -34.4 -24.9 -6.4 0.6 86 86 A E H X S+ 0 0 48 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.942 104.1 48.1 -60.0 -47.2 -26.4 -4.6 -2.4 87 87 A Q H X S+ 0 0 135 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.903 113.4 48.3 -63.2 -37.9 -30.0 -4.9 -1.0 88 88 A E H X S+ 0 0 99 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.967 112.0 47.1 -68.2 -49.5 -28.9 -3.6 2.4 89 89 A I H X S+ 0 0 20 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.929 113.7 49.1 -58.4 -43.9 -27.0 -0.6 1.0 90 90 A I H X S+ 0 0 39 -4,-2.4 4,-2.1 -5,-0.3 5,-0.3 0.930 109.6 51.7 -62.9 -43.8 -29.9 0.3 -1.3 91 91 A A H X>S+ 0 0 45 -4,-2.1 4,-4.2 -5,-0.2 5,-0.6 0.908 105.2 55.9 -61.7 -40.6 -32.4 0.0 1.6 92 92 A L H X5S+ 0 0 27 -4,-2.2 4,-1.9 3,-0.2 6,-0.9 0.934 108.2 47.9 -60.6 -42.8 -30.4 2.3 3.9 93 93 A I H <5S+ 0 0 1 -4,-1.6 4,-0.4 4,-0.2 5,-0.2 0.968 124.4 30.4 -63.2 -50.3 -30.4 5.1 1.2 94 94 A K H <5S+ 0 0 119 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.857 127.9 41.8 -78.5 -35.0 -34.2 4.8 0.6 95 95 A D H <5S+ 0 0 107 -4,-4.2 -3,-0.2 -5,-0.3 -2,-0.2 0.932 130.1 24.4 -79.1 -46.8 -35.2 3.7 4.1 96 96 A K S < - 0 0 16 -72,-0.3 4,-3.4 -2,-0.3 5,-0.4 -0.353 33.3-109.8 -73.1 159.2 -26.3 9.5 1.0 100 100 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.913 121.7 47.8 -57.8 -40.2 -24.6 6.7 -1.0 101 101 A D H > S+ 0 0 11 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.923 115.9 44.1 -68.8 -39.8 -21.3 7.6 0.7 102 102 A A H > S+ 0 0 8 2,-0.2 4,-1.8 -75,-0.2 -2,-0.2 0.967 116.1 44.7 -69.4 -51.1 -22.9 7.6 4.2 103 103 A A H X S+ 0 0 0 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.925 113.1 52.4 -60.0 -43.7 -25.0 4.4 3.7 104 104 A A H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.4 5,-0.2 0.936 106.1 52.8 -60.9 -44.9 -22.0 2.6 2.2 105 105 A H H X S+ 0 0 40 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.919 103.0 59.3 -60.3 -39.6 -19.7 3.4 5.1 106 106 A E H X S+ 0 0 97 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.951 108.0 43.8 -55.8 -49.5 -22.2 2.1 7.6 107 107 A V H >X S+ 0 0 19 -4,-1.5 4,-2.0 1,-0.2 3,-0.6 0.956 114.9 49.4 -62.1 -45.5 -22.2 -1.4 6.1 108 108 A I H 3X S+ 0 0 28 -4,-2.1 4,-1.8 1,-0.2 5,-0.3 0.846 100.7 66.9 -62.4 -30.8 -18.4 -1.4 5.7 109 109 A E H 3X S+ 0 0 95 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.917 109.4 35.0 -59.2 -40.4 -18.2 -0.3 9.4 110 110 A G H < S+ 0 0 47 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.927 105.8 51.1 -63.2 -43.6 -16.7 -8.4 12.5 115 115 A L H >< S+ 0 0 25 -4,-1.4 3,-1.3 -5,-0.3 -1,-0.2 0.835 101.4 63.1 -65.7 -28.0 -13.5 -9.8 10.9 116 116 A E H 3< S+ 0 0 132 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 92.0 64.9 -67.4 -24.3 -11.4 -8.3 13.7 117 117 A E T << S+ 0 0 163 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.2 0.675 87.0 85.5 -74.2 -11.7 -13.2 -10.6 16.2 118 118 A L S < S- 0 0 80 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.0 -0.708 73.6-145.9 -89.5 138.0 -11.6 -13.6 14.4 119 119 A D + 0 0 166 -2,-0.4 2,-0.4 4,-0.1 -1,-0.1 -0.236 60.4 112.8 -97.6 47.8 -8.1 -14.6 15.6 120 120 A D > - 0 0 77 -2,-0.4 4,-3.1 1,-0.1 5,-0.4 -0.947 66.5-136.6-119.9 139.8 -6.8 -15.8 12.2 121 121 A E H > S+ 0 0 110 -2,-0.4 4,-1.9 2,-0.2 5,-0.2 0.904 107.6 44.7 -60.0 -39.1 -4.1 -14.1 10.1 122 122 A Y H > S+ 0 0 124 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.984 119.2 38.8 -70.5 -57.2 -6.2 -14.6 7.0 123 123 A L H > S+ 0 0 42 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.923 117.6 51.5 -61.0 -41.5 -9.5 -13.5 8.3 124 124 A K H >X S+ 0 0 120 -4,-3.1 4,-1.2 1,-0.2 3,-1.1 0.969 110.2 47.6 -61.5 -49.5 -7.9 -10.7 10.4 125 125 A E H 3X S+ 0 0 68 -4,-1.9 4,-2.6 -5,-0.4 5,-0.3 0.871 104.3 62.6 -59.9 -31.0 -6.0 -9.4 7.4 126 126 A R H 3X S+ 0 0 57 -4,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.857 95.4 61.5 -63.4 -29.2 -9.3 -9.6 5.5 127 127 A A H S+ 0 0 20 -4,-2.5 5,-1.8 -5,-0.2 4,-0.4 0.870 112.5 46.1 -62.1 -34.5 -13.1 8.0 -3.4 140 140 A N H ><5S+ 0 0 20 -4,-1.8 3,-0.6 -5,-0.2 -2,-0.2 0.918 109.2 52.6 -76.0 -43.2 -14.9 7.2 -6.7 141 141 A I H 3<5S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.0 40.8 -61.6 -37.1 -18.4 8.5 -5.7 142 142 A L T 3<5S- 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.546 109.2-123.0 -88.0 -6.0 -16.9 11.9 -4.6 143 143 A G T < 5 + 0 0 61 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.809 45.5 177.0 70.1 27.3 -14.5 12.0 -7.6 144 144 A L < - 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c 0 176A 20 19,-0.9 21,-2.1 -2,-0.4 22,-0.5 -0.876 51.4 -82.9-145.7 179.6 13.8 7.3 -5.0 157 157 A I E -b 16 0A 5 -142,-1.8 -140,-1.4 -2,-0.3 2,-0.6 -0.713 38.4-133.4 -89.7 140.2 13.2 5.5 -1.6 158 158 A L E -bc 17 179A 3 20,-1.4 22,-2.4 -2,-0.3 2,-0.4 -0.809 25.8-177.4 -95.8 124.9 9.6 4.8 -0.7 159 159 A V E +bc 18 180A 2 -142,-2.0 -140,-1.0 -2,-0.6 2,-0.3 -0.974 15.1 143.6-122.4 130.7 8.7 5.7 3.0 160 160 A A E - c 0 181A 9 20,-1.2 22,-0.9 -2,-0.4 23,-0.2 -0.982 55.6-119.4-160.7 150.9 5.3 5.1 4.5 161 161 A A S S- 0 0 47 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.916 95.7 -26.5 -61.1 -37.9 3.9 4.0 7.9 162 162 A D - 0 0 92 19,-0.1 2,-0.4 -3,-0.1 -1,-0.3 -0.937 57.2-140.8-171.2 150.3 2.4 1.0 6.2 163 163 A L - 0 0 10 -2,-0.3 27,-0.2 -3,-0.2 26,-0.2 -0.944 20.4-130.7-119.6 141.1 1.1 -0.2 2.8 164 164 A T > - 0 0 46 -2,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.606 30.9-106.7 -87.4 150.9 -2.0 -2.3 2.2 165 165 A P H > S+ 0 0 22 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.845 120.0 54.8 -43.1 -41.6 -1.7 -5.4 -0.1 166 166 A S H > S+ 0 0 6 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.964 110.4 44.1 -62.0 -49.0 -3.6 -3.6 -2.9 167 167 A E H > S+ 0 0 52 -3,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.912 117.2 46.3 -62.8 -40.1 -1.2 -0.7 -2.9 168 168 A T H >< S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.907 107.7 56.7 -69.7 -39.0 1.8 -3.0 -2.7 169 169 A A H 3< S+ 0 0 3 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.860 114.5 39.1 -61.5 -33.4 0.4 -5.3 -5.5 170 170 A Q H 3< S+ 0 0 50 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.494 88.8 117.8 -96.1 -2.1 0.2 -2.3 -7.8 171 171 A L S << S- 0 0 10 -3,-0.7 2,-0.7 -4,-0.6 -21,-0.1 -0.309 70.3-121.4 -60.7 147.7 3.5 -0.7 -6.7 172 172 A N >> - 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0 0 11 -3,-2.4 4,-1.2 1,-0.2 3,-0.4 -0.646 55.3-154.4 -78.6 116.9 3.7 -6.7 7.7 189 189 A H H > S+ 0 0 40 -2,-0.6 4,-1.5 -26,-0.2 3,-0.3 0.886 92.2 62.6 -60.2 -36.5 3.0 -7.2 3.9 190 190 A T H > S+ 0 0 6 -27,-0.2 4,-1.6 1,-0.2 3,-0.3 0.922 99.3 54.7 -56.1 -41.8 5.9 -4.9 3.1 191 191 A S H > S+ 0 0 11 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.900 101.9 58.4 -60.0 -38.5 8.3 -7.3 4.7 192 192 A I H X S+ 0 0 55 -4,-1.2 4,-2.2 -3,-0.3 5,-0.3 0.904 101.5 54.5 -59.9 -39.5 7.0 -10.1 2.5 193 193 A M H X S+ 0 0 1 -4,-1.5 4,-2.7 -3,-0.3 6,-0.3 0.941 108.2 50.1 -60.4 -44.1 8.0 -8.1 -0.7 194 194 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.937 109.5 49.6 -61.1 -47.4 11.5 -7.9 0.6 195 195 A R H < S+ 0 0 161 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.944 117.1 40.4 -60.4 -46.2 11.8 -11.6 1.3 196 196 A S H < S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 127.5 34.1 -69.8 -39.8 10.5 -12.6 -2.1 197 197 A L H < S- 0 0 53 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.581 90.6-147.3 -92.0 -9.9 12.5 -9.9 -3.9 198 198 A E < + 0 0 150 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.665 44.3 151.7 53.7 12.7 15.5 -9.9 -1.6 199 199 A L - 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