==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-JUL-12 4G11 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.MORALES . 836 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 57 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 4 2 1 3 5 0 2 3 1 3 0 0 1 2 0 1 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 5 3 4 1 4 1 3 1 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 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 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 1 143 A M 0 0 134 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.8 -33.2 -28.4 -51.0 2 144 A S > - 0 0 74 1,-0.1 4,-0.9 3,-0.0 3,-0.3 -0.172 360.0-113.1 -68.9 162.7 -36.7 -28.1 -52.5 3 145 A E H > S+ 0 0 132 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.815 119.0 55.9 -65.7 -32.1 -37.9 -25.2 -54.6 4 146 A E H > S+ 0 0 109 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.793 101.1 58.2 -70.3 -30.0 -40.4 -24.2 -51.9 5 147 A S H > S+ 0 0 36 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.787 102.1 55.2 -67.5 -30.6 -37.5 -24.1 -49.4 6 148 A Q H X S+ 0 0 107 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.857 106.9 49.5 -68.5 -38.4 -35.9 -21.4 -51.7 7 149 A A H X S+ 0 0 41 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.789 108.7 53.4 -70.9 -30.6 -39.1 -19.3 -51.5 8 150 A F H X S+ 0 0 19 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.895 111.6 44.2 -68.8 -43.4 -39.0 -19.7 -47.7 9 151 A Q H X S+ 0 0 26 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.849 113.0 52.1 -67.9 -36.7 -35.4 -18.4 -47.6 10 152 A R H X S+ 0 0 197 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.815 108.4 52.3 -66.4 -32.9 -36.4 -15.7 -50.0 11 153 A Q H X S+ 0 0 87 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.867 109.2 48.9 -69.5 -39.5 -39.3 -14.8 -47.6 12 154 A L H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.891 103.2 61.3 -66.7 -41.5 -36.8 -14.5 -44.7 13 155 A T H X S+ 0 0 35 -4,-2.1 4,-2.5 1,-0.2 5,-0.5 0.882 107.3 44.1 -53.7 -44.4 -34.5 -12.3 -46.7 14 156 A A H < S+ 0 0 65 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.803 113.0 52.4 -71.2 -31.1 -37.2 -9.6 -47.1 15 157 A L H < S+ 0 0 4 -4,-1.2 -2,-0.2 -3,-0.1 -1,-0.2 0.829 115.9 39.4 -74.0 -35.2 -38.2 -10.0 -43.4 16 158 A I H < S- 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.913 100.1-134.1 -76.6 -47.7 -34.6 -9.5 -42.2 17 159 A G S < S+ 0 0 49 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.1 0.361 78.2 73.9 101.8 -0.3 -33.7 -6.7 -44.7 18 160 A Y S S- 0 0 27 -5,-0.5 2,-0.8 -6,-0.2 -1,-0.2 -0.997 85.2-113.0-146.0 140.4 -30.4 -8.4 -45.5 19 161 A D > - 0 0 65 -2,-0.3 3,-0.7 1,-0.2 463,-0.1 -0.627 25.9-173.5 -75.5 109.0 -29.3 -11.5 -47.5 20 162 A V T 3 S+ 0 0 5 -2,-0.8 -1,-0.2 1,-0.2 463,-0.1 0.793 82.7 61.0 -73.1 -29.9 -27.9 -14.0 -45.0 21 163 A T T 3 S+ 0 0 58 -12,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.577 79.0 121.4 -73.3 -10.3 -26.8 -16.4 -47.7 22 164 A D < + 0 0 37 -3,-0.7 -4,-0.0 1,-0.1 0, 0.0 -0.304 34.5 174.8 -57.0 131.6 -24.5 -13.6 -49.1 23 165 A V + 0 0 100 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.192 52.7 93.2-134.1 41.6 -20.8 -14.6 -49.2 24 166 A S S S+ 0 0 82 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.716 85.0 47.7-102.5 -30.9 -19.2 -11.5 -50.9 25 167 A N S S+ 0 0 4 264,-0.0 264,-0.6 2,-0.0 2,-0.4 0.084 98.6 89.7-100.5 21.9 -18.2 -9.5 -47.8 26 168 A V - 0 0 42 1,-0.1 3,-0.1 262,-0.1 262,-0.0 -0.938 46.4-174.1-124.7 144.5 -16.6 -12.4 -45.9 27 169 A H S S+ 0 0 66 -2,-0.4 2,-0.2 242,-0.0 -1,-0.1 0.457 81.0 22.9-106.1 -9.8 -13.1 -13.9 -45.8 28 170 A D S S- 0 0 35 0, 0.0 3,-0.3 0, 0.0 0, 0.0 -0.729 84.3-101.3-141.4-169.4 -14.1 -16.9 -43.7 29 171 A D S > S+ 0 0 70 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.114 72.1 121.4-115.1 34.3 -17.1 -19.0 -42.7 30 172 A E H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 412,-0.2 0.798 76.5 52.1 -68.5 -29.7 -17.9 -17.5 -39.3 31 173 A L H > S+ 0 0 11 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.946 112.3 43.0 -68.2 -51.1 -21.5 -16.6 -40.4 32 174 A E H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.813 113.9 51.4 -67.8 -34.3 -22.3 -20.1 -41.7 33 175 A F H X S+ 0 0 73 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.904 114.8 43.0 -66.2 -44.5 -20.8 -21.8 -38.7 34 176 A T H X S+ 0 0 2 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.867 110.6 56.9 -67.2 -39.0 -22.8 -19.5 -36.4 35 177 A R H < S+ 0 0 44 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.864 116.2 35.1 -61.5 -39.4 -25.9 -20.0 -38.6 36 178 A R H >X S+ 0 0 158 -4,-1.7 3,-0.7 1,-0.2 4,-0.5 0.731 111.8 61.8 -85.7 -26.4 -25.7 -23.8 -38.1 37 179 A G H 3< S+ 0 0 18 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.664 102.4 52.7 -71.5 -17.5 -24.5 -23.5 -34.5 38 180 A L T 3X S+ 0 0 1 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.517 87.6 81.3 -95.0 -9.1 -27.7 -21.7 -33.6 39 181 A V H <> S+ 0 0 25 -3,-0.7 4,-2.1 2,-0.2 5,-0.2 0.886 92.8 49.0 -63.0 -40.8 -29.9 -24.5 -35.1 40 182 A T H X S+ 0 0 101 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.958 111.5 45.4 -66.4 -54.2 -29.5 -26.6 -31.9 41 183 A P H 4 S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.724 113.5 53.7 -64.1 -21.8 -30.3 -23.8 -29.3 42 184 A R H >X S+ 0 0 4 -4,-1.4 4,-2.6 2,-0.2 3,-1.7 0.961 113.6 38.4 -71.6 -56.6 -33.3 -22.8 -31.4 43 185 A M H 3X S+ 0 0 88 -4,-2.1 4,-1.9 1,-0.3 -3,-0.2 0.755 109.7 63.9 -67.7 -24.3 -34.9 -26.2 -31.7 44 186 A A H 3< S+ 0 0 58 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.525 113.5 34.6 -73.4 -7.2 -33.9 -26.8 -28.0 45 187 A E H X> S+ 0 0 13 -3,-1.7 4,-1.2 -5,-0.2 3,-0.7 0.685 116.4 51.6-113.8 -38.2 -36.3 -23.9 -27.2 46 188 A V H >< S+ 0 0 29 -4,-2.6 3,-0.6 1,-0.2 -3,-0.2 0.947 114.5 43.0 -63.5 -51.5 -39.0 -24.5 -29.8 47 189 A A T 3< S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.311 115.7 53.9 -79.3 9.9 -39.5 -28.1 -28.8 48 190 A S T <4 S+ 0 0 83 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.596 88.3 90.7-114.8 -22.4 -39.3 -27.1 -25.2 49 191 A R S << S- 0 0 38 -4,-1.2 406,-0.1 -3,-0.6 3,-0.0 -0.400 83.7-105.4 -78.9 153.9 -41.9 -24.4 -24.9 50 192 A D > - 0 0 78 1,-0.1 4,-2.2 405,-0.1 5,-0.2 -0.706 24.9-146.3 -77.7 121.8 -45.6 -25.0 -24.0 51 193 A P H > S+ 0 0 69 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.839 95.7 41.4 -60.2 -38.0 -47.7 -24.6 -27.2 52 194 A K H > S+ 0 0 132 2,-0.2 4,-1.6 1,-0.1 5,-0.2 0.926 115.6 47.1 -76.2 -48.9 -50.7 -23.1 -25.5 53 195 A L H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.819 112.6 50.8 -65.0 -33.1 -48.9 -20.8 -23.1 54 196 A Y H < S+ 0 0 8 -4,-2.2 403,-0.3 2,-0.2 -1,-0.2 0.834 106.6 55.3 -72.1 -34.7 -46.7 -19.5 -25.9 55 197 A A H < S+ 0 0 8 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.886 115.4 36.8 -64.2 -40.6 -49.7 -18.8 -28.1 56 198 A M H < S- 0 0 23 -4,-1.6 70,-0.5 101,-0.1 3,-0.2 0.667 89.5-157.0 -88.1 -19.5 -51.4 -16.6 -25.5 57 199 A H < - 0 0 14 -4,-1.2 2,-0.6 1,-0.2 -3,-0.1 0.842 8.6-154.2 42.5 53.3 -48.1 -15.0 -24.2 58 200 A P - 0 0 30 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.368 6.8-144.8 -62.7 106.2 -49.4 -14.0 -20.8 59 201 A W + 0 0 48 -2,-0.6 78,-1.1 67,-0.2 79,-0.4 -0.635 31.7 167.8 -78.0 114.8 -47.2 -11.1 -19.8 60 202 A V B -A 136 0A 22 -2,-0.6 362,-0.6 76,-0.2 2,-0.3 -0.957 27.3-149.7-135.0 143.9 -46.7 -11.3 -16.0 61 203 A T - 0 0 0 74,-3.0 -2,-0.0 -2,-0.3 360,-0.0 -0.869 3.8-161.9-110.7 149.8 -44.5 -9.7 -13.3 62 204 A S + 0 0 81 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.450 56.3 111.0-108.2 -4.4 -43.4 -11.4 -10.1 63 205 A K S S- 0 0 44 1,-0.1 -2,-0.1 72,-0.1 2,-0.0 -0.357 79.4 -93.6 -67.5 150.3 -42.4 -8.2 -8.2 64 206 A P - 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.337 44.7 -97.5 -66.3 148.9 -44.5 -7.2 -5.2 65 207 A L - 0 0 14 1,-0.1 5,-0.1 -3,-0.1 4,-0.1 -0.549 47.6-119.8 -71.3 122.6 -47.4 -4.7 -5.7 66 208 A P >> - 0 0 8 0, 0.0 3,-1.2 0, 0.0 4,-0.7 -0.044 14.6-112.1 -67.0 165.0 -46.2 -1.2 -4.7 67 209 A E H 3> S+ 0 0 152 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.749 111.2 65.0 -69.1 -28.0 -47.6 1.1 -2.0 68 210 A Y H 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 556,-0.0 0.289 106.7 44.0 -81.3 10.8 -49.0 3.7 -4.5 69 211 A L H <> S+ 0 0 8 -3,-1.2 4,-0.9 2,-0.1 3,-0.4 0.478 97.7 69.5-125.2 -16.3 -51.4 1.1 -5.9 70 212 A W H < S+ 0 0 109 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.1 0.650 88.9 68.4 -73.1 -17.3 -52.6 -0.5 -2.6 71 213 A K T >< S+ 0 0 130 -4,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.801 97.8 49.6 -73.5 -30.1 -54.5 2.8 -1.9 72 214 A K T 34 S+ 0 0 88 -3,-0.4 2,-0.7 1,-0.3 -1,-0.2 0.839 111.8 50.0 -75.0 -35.7 -56.9 2.2 -4.8 73 215 A I T >< + 0 0 9 -4,-0.9 3,-0.5 1,-0.1 -1,-0.3 -0.508 67.9 138.6 -99.6 61.0 -57.6 -1.3 -3.5 74 216 A A T < S+ 0 0 86 -2,-0.7 -1,-0.1 -3,-0.6 -3,-0.1 -0.069 72.7 49.1 -91.8 32.2 -58.2 -0.2 0.1 75 217 A N T 3 S- 0 0 86 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.346 108.7-113.0-147.9 -4.6 -61.1 -2.7 0.3 76 218 A N S < S+ 0 0 93 -3,-0.5 2,-0.3 1,-0.2 -2,-0.1 0.872 79.4 120.0 61.2 41.6 -59.6 -6.0 -1.0 77 219 A C - 0 0 23 17,-0.1 2,-0.4 18,-0.1 -1,-0.2 -0.996 44.4-168.3-138.9 139.9 -61.9 -5.8 -4.1 78 220 A I E -B 93 0B 9 15,-1.6 15,-3.0 -2,-0.3 2,-0.8 -0.999 16.0-143.7-129.9 132.4 -61.4 -5.6 -7.8 79 221 A F E -B 92 0B 109 -2,-0.4 70,-0.6 13,-0.2 2,-0.5 -0.822 20.7-177.1-103.1 101.5 -64.1 -4.8 -10.3 80 222 A I E -Bc 91 149B 18 11,-1.5 11,-1.4 -2,-0.8 2,-0.8 -0.842 16.4-151.3-101.3 130.4 -63.8 -6.8 -13.6 81 223 A V E -Bc 90 150B 18 68,-1.8 70,-1.4 -2,-0.5 2,-1.0 -0.840 10.8-161.1-103.9 97.2 -66.2 -6.1 -16.5 82 224 A I E -Bc 89 151B 15 7,-1.3 7,-0.8 -2,-0.8 70,-0.2 -0.679 11.7-155.8 -83.8 100.2 -66.5 -9.4 -18.4 83 225 A H E +Bc 88 152B 52 68,-4.0 70,-2.0 -2,-1.0 5,-0.2 -0.405 23.3 170.1 -73.9 151.2 -67.8 -8.5 -21.8 84 226 A R E > -B 87 0B 109 3,-1.4 2,-1.2 68,-0.2 3,-0.8 -0.284 63.9 -79.9-159.7 60.0 -69.7 -11.0 -24.0 85 227 A S T 3 S- 0 0 109 1,-0.2 -1,-0.0 504,-0.0 -2,-0.0 -0.653 119.2 -1.2 77.0 -93.3 -71.3 -9.2 -26.9 86 228 A T T 3 S+ 0 0 140 -2,-1.2 2,-0.4 -3,-0.1 -1,-0.2 0.325 124.6 81.1-108.2 3.5 -74.4 -7.6 -25.4 87 229 A T E < +B 84 0B 98 -3,-0.8 -3,-1.4 2,-0.0 2,-0.3 -0.942 46.9 155.5-117.4 130.5 -73.8 -9.1 -21.9 88 230 A S E -B 83 0B 60 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.867 11.3-179.1-155.6 119.8 -71.4 -7.8 -19.3 89 231 A Q E -B 82 0B 94 -7,-0.8 -7,-1.3 -2,-0.3 2,-0.6 -0.656 28.3-122.4-109.8 168.9 -71.5 -8.2 -15.5 90 232 A T E -B 81 0B 76 -2,-0.2 2,-0.5 -9,-0.2 -9,-0.2 -0.862 26.5-168.1-117.8 96.2 -69.2 -6.9 -12.8 91 233 A I E -B 80 0B 13 -11,-1.4 -11,-1.5 -2,-0.6 2,-0.4 -0.739 20.1-130.7 -88.9 122.4 -67.7 -9.7 -10.7 92 234 A K E -B 79 0B 144 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.2 -0.599 29.6-167.3 -75.6 122.5 -65.9 -8.6 -7.5 93 235 A V E -B 78 0B 4 -15,-3.0 -15,-1.6 -2,-0.4 9,-0.0 -0.899 18.3-127.6-119.1 139.8 -62.4 -10.2 -7.3 94 236 A S > - 0 0 51 -2,-0.4 2,-1.6 -17,-0.2 3,-0.9 -0.689 29.9-114.6 -84.1 138.1 -59.9 -10.5 -4.4 95 237 A P T 3 S+ 0 0 5 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 0.094 112.7 55.0 -60.7 26.1 -56.3 -9.2 -5.1 96 238 A D T 3 S+ 0 0 118 -2,-1.6 2,-0.2 37,-0.1 -2,-0.0 -0.121 81.9 124.5-150.2 42.2 -55.1 -12.8 -4.7 97 239 A D < - 0 0 42 -3,-0.9 36,-2.1 34,-0.0 37,-0.2 -0.625 52.6-124.9-107.3 164.0 -57.2 -14.8 -7.2 98 240 A T > - 0 0 43 -2,-0.2 4,-2.6 34,-0.2 3,-0.4 -0.875 19.3-124.7-111.2 138.5 -56.4 -17.2 -10.1 99 241 A P H > S+ 0 0 4 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.828 116.5 44.6 -43.9 -41.9 -57.6 -16.8 -13.8 100 242 A G H > S+ 0 0 36 29,-0.3 4,-1.0 2,-0.2 30,-0.1 0.827 113.2 51.0 -72.9 -34.0 -59.0 -20.3 -13.6 101 243 A A H > S+ 0 0 40 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.797 106.3 53.0 -75.5 -32.3 -60.6 -19.7 -10.1 102 244 A I H < S+ 0 0 21 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.723 102.7 59.4 -76.6 -22.5 -62.3 -16.5 -11.1 103 245 A L H >X S+ 0 0 26 -4,-0.7 4,-2.6 -5,-0.3 3,-1.4 0.882 101.3 55.3 -66.3 -39.9 -63.9 -18.3 -14.1 104 246 A Q H 3X S+ 0 0 113 -4,-1.0 4,-1.1 1,-0.3 5,-0.3 0.834 102.6 55.8 -60.9 -35.8 -65.5 -20.7 -11.5 105 247 A S H 3< S+ 0 0 47 -4,-0.9 -1,-0.3 3,-0.1 -2,-0.1 0.009 115.4 40.1 -86.6 28.1 -67.0 -17.6 -9.8 106 248 A F H <> S+ 0 0 33 -3,-1.4 4,-2.2 3,-0.1 5,-0.5 0.499 111.9 46.7-135.4 -51.5 -68.7 -16.7 -13.1 107 249 A F H < S+ 0 0 40 -4,-2.6 4,-0.5 2,-0.2 -3,-0.2 0.865 124.3 35.8 -65.6 -39.5 -69.9 -19.9 -14.8 108 250 A T T < S+ 0 0 118 -4,-1.1 -1,-0.2 -5,-0.3 -3,-0.1 0.797 116.6 55.5 -80.6 -32.2 -71.5 -21.1 -11.5 109 251 A K T 4 S+ 0 0 134 -5,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.804 126.8 16.7 -71.8 -31.9 -72.5 -17.5 -10.5 110 252 A M < 0 0 91 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.836 360.0 360.0-101.5 -70.4 -74.4 -16.9 -13.8 111 253 A A 0 0 126 -4,-0.5 -3,-0.1 -5,-0.5 -1,-0.1 0.042 360.0 360.0 51.8 360.0 -75.2 -20.2 -15.6 112 ! 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 0.0 113 267 A E 0 0 204 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.5 -68.3 -25.0 -21.0 114 268 A Q + 0 0 105 1,-0.2 -11,-0.0 -7,-0.0 -10,-0.0 -0.080 360.0 104.1-106.2 31.2 -65.1 -23.8 -19.3 115 269 A D + 0 0 111 2,-0.1 2,-0.2 41,-0.0 -1,-0.2 0.133 57.9 106.6 -95.3 17.4 -63.1 -24.1 -22.5 116 270 A F - 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0 0 93 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.459 53.0 -93.7 -67.1 137.6 -28.4 -12.1 -5.5 390 622 A L - 0 0 60 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.1 -0.356 41.6-172.6 -61.8 113.1 -28.9 -11.0 -9.1 391 623 A D > - 0 0 49 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.938 4.6-168.7-110.3 110.8 -27.3 -7.6 -9.6 392 624 A V H > S+ 0 0 21 -2,-0.6 4,-2.7 2,-0.2 5,-0.2 0.909 84.4 49.6 -69.5 -47.1 -28.2 -6.3 -13.1 393 625 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.816 113.3 49.1 -61.9 -32.9 -25.8 -3.3 -13.3 394 626 A L H > S+ 0 0 5 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.886 110.9 49.5 -69.8 -44.0 -23.0 -5.6 -12.2 395 627 A T H >< S+ 0 0 1 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.895 108.3 53.7 -63.1 -42.9 -23.9 -8.2 -14.8 396 628 A M H >< S+ 0 0 2 -4,-2.7 3,-2.1 1,-0.2 4,-0.2 0.858 99.3 63.3 -59.4 -39.2 -24.0 -5.5 -17.5 397 629 A Q H >< S+ 0 0 15 -4,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.852 98.5 54.6 -55.6 -38.9 -20.5 -4.4 -16.7 398 630 A L T << S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.5 14,-0.2 0.295 106.1 55.0 -80.8 10.6 -19.1 -7.8 -17.6 399 631 A L T < S+ 0 0 0 -3,-2.1 38,-0.3 13,-0.1 -1,-0.2 0.299 88.9 94.0-123.9 5.7 -20.8 -7.5 -21.1 400 632 A D S X S- 0 0 10 -3,-1.1 3,-0.9 -4,-0.2 -3,-0.0 -0.009 95.4 -81.2 -85.1-166.3 -19.3 -4.1 -22.2 401 633 A C T 3 S+ 0 0 6 1,-0.2 -3,-0.0 -199,-0.1 -4,-0.0 0.762 116.9 73.7 -69.5 -27.5 -16.3 -3.4 -24.4 402 634 A N T 3 S+ 0 0 78 -5,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.638 95.3 54.4 -65.9 -16.5 -13.8 -3.8 -21.5 403 635 A F < + 0 0 7 -3,-0.9 -201,-0.2 -6,-0.1 -1,-0.1 -0.981 47.6 159.0-126.8 124.7 -14.2 -7.5 -21.5 404 636 A S + 0 0 9 -2,-0.4 2,-0.2 -203,-0.1 -1,-0.1 0.439 39.4 116.2-120.3 -7.4 -13.6 -9.8 -24.5 405 637 A D > - 0 0 2 1,-0.1 4,-1.8 -204,-0.1 5,-0.2 -0.486 63.0-138.5 -68.7 131.7 -12.9 -13.1 -22.8 406 638 A E H > S+ 0 0 64 -169,-0.3 4,-0.8 -2,-0.2 38,-0.2 0.820 101.3 44.1 -60.1 -34.9 -15.6 -15.7 -23.7 407 639 A N H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.841 107.9 55.1 -82.3 -37.3 -15.7 -17.1 -20.1 408 640 A V H > S+ 0 0 0 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.881 114.0 43.3 -61.6 -39.4 -15.7 -13.7 -18.3 409 641 A R H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 3,-0.4 0.781 107.8 61.7 -75.1 -28.2 -18.8 -12.7 -20.3 410 642 A A H X S+ 0 0 35 -4,-0.8 4,-1.6 1,-0.2 -2,-0.2 0.834 96.4 57.2 -67.8 -34.7 -20.3 -16.2 -19.8 411 643 A I H X S+ 0 0 2 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.756 106.7 51.4 -69.4 -24.3 -20.5 -15.8 -16.0 412 644 A A H >X S+ 0 0 0 -4,-0.5 4,-1.5 -3,-0.4 3,-1.4 0.944 104.6 53.9 -72.6 -51.4 -22.6 -12.7 -16.6 413 645 A V H 3X S+ 0 0 7 -4,-1.8 4,-1.3 1,-0.3 -2,-0.2 0.829 100.1 64.3 -53.0 -35.0 -25.0 -14.4 -18.9 414 646 A Q H 3< S+ 0 0 61 -4,-1.6 4,-0.4 1,-0.2 -1,-0.3 0.873 103.0 47.0 -55.5 -41.5 -25.5 -17.0 -16.1 415 647 A K H X< S+ 0 0 15 -3,-1.4 3,-1.1 -4,-0.7 4,-0.3 0.840 105.4 59.5 -69.4 -34.0 -27.0 -14.2 -14.0 416 648 A L H >< S+ 0 0 1 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.769 92.2 69.9 -64.8 -25.7 -29.2 -13.1 -16.9 417 649 A E T 3< S+ 0 0 87 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.800 92.9 56.6 -61.0 -31.1 -30.8 -16.6 -16.9 418 650 A S T < S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.573 85.1 105.0 -80.1 -10.6 -32.5 -15.9 -13.5 419 651 A L < - 0 0 5 -3,-1.3 2,-0.1 -4,-0.3 -3,-0.0 -0.494 66.7-136.0 -70.0 139.0 -34.2 -12.8 -15.0 420 652 A E > - 0 0 50 -2,-0.2 4,-2.0 1,-0.0 3,-0.5 -0.428 30.2 -92.1 -90.6 170.6 -37.9 -13.2 -15.7 421 653 A D H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -360,-0.1 0.851 123.7 52.6 -49.9 -46.1 -39.8 -12.1 -18.9 422 654 A D H > S+ 0 0 7 -362,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.886 111.1 46.7 -60.1 -43.1 -40.8 -8.7 -17.4 423 655 A D H > S+ 0 0 38 -3,-0.5 4,-1.5 1,-0.2 3,-0.3 0.827 107.1 57.7 -67.3 -35.7 -37.1 -7.9 -16.5 424 656 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.895 101.4 56.9 -62.3 -39.2 -35.9 -9.0 -19.9 425 657 A L H < S+ 0 0 22 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.812 105.0 51.9 -61.6 -33.8 -38.2 -6.4 -21.5 426 658 A H H < S+ 0 0 32 -4,-0.9 4,-0.2 -3,-0.3 -1,-0.2 0.897 122.5 28.0 -67.6 -43.3 -36.6 -3.6 -19.6 427 659 A Y H X S+ 0 0 14 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.376 90.8 102.1-104.2 2.7 -33.0 -4.5 -20.6 428 660 A L H X S+ 0 0 2 -4,-1.4 4,-2.6 1,-0.2 5,-0.3 0.896 82.0 50.0 -55.9 -47.4 -33.7 -6.1 -24.0 429 661 A L H > S+ 0 0 1 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.923 115.6 42.6 -58.2 -46.4 -32.6 -3.1 -26.0 430 662 A Q H > S+ 0 0 7 -4,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.873 114.5 49.2 -70.7 -39.2 -29.4 -2.7 -24.1 431 663 A L H < S+ 0 0 0 -4,-2.9 4,-0.5 2,-0.2 -2,-0.2 0.896 112.5 47.8 -67.3 -40.9 -28.6 -6.5 -24.1 432 664 A V H >< S+ 0 0 0 -4,-2.6 3,-0.6 -5,-0.3 -1,-0.2 0.840 114.4 48.0 -64.5 -34.7 -29.2 -6.7 -27.8 433 665 A Q H >< S+ 0 0 4 -4,-1.6 3,-1.3 -5,-0.3 -2,-0.2 0.780 101.5 65.1 -75.2 -27.2 -27.0 -3.6 -28.2 434 666 A A G >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.3 4,-0.3 0.613 80.7 80.1 -72.2 -13.3 -24.4 -5.3 -25.9 435 667 A V G X S+ 0 0 2 -3,-0.6 3,-1.4 -4,-0.5 -1,-0.3 0.763 79.0 70.8 -62.6 -25.9 -23.9 -8.0 -28.6 436 668 A K G < S+ 0 0 1 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 92.3 56.0 -61.4 -31.2 -21.7 -5.4 -30.4 437 669 A F G < S+ 0 0 10 -3,-1.1 -1,-0.3 -38,-0.3 -2,-0.2 0.559 85.6 105.3 -79.3 -10.0 -19.0 -5.8 -27.7 438 670 A E < - 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