REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2kxt_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMKNVLVGLG WDARSTDGQD FDLDASAFLL AANGKVRGDA DFIFYNNLKS DATA SEQUENCE ADGSVTHTGD NRTGEGDGDD ESLKIKLDAV PGDVDKIIFV VTIHDAQARR DATA SEQUENCE QSFGQVSGAF IRLVNDDNQT EVARYDLTED ASTETAMLFG ELYRHNGEWK DATA SEQUENCE FRAVGQGYAG GLASVCAQYG INAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 4.522 4.470 0.087 0.000 0.327 1 S C 0.000 174.675 174.600 0.125 0.000 1.055 1 S CA 0.000 58.258 58.200 0.096 0.000 1.107 1 S CB 0.000 63.235 63.200 0.059 0.000 0.593 2 M N 3.427 123.129 119.600 0.171 0.000 2.143 2 M HA -0.005 4.533 4.480 0.097 0.000 0.348 2 M C -0.124 176.258 176.300 0.137 0.000 1.375 2 M CA 0.331 55.713 55.300 0.137 0.000 1.124 2 M CB -0.141 32.545 32.600 0.144 0.000 1.669 2 M HN -0.663 7.754 8.290 0.211 0.000 0.469 3 K N 1.244 121.698 120.400 0.091 0.000 2.323 3 K HA -0.057 4.344 4.320 0.135 0.000 0.197 3 K C -1.374 175.238 176.600 0.021 0.000 1.043 3 K CA 1.443 57.779 56.287 0.081 0.000 0.997 3 K CB 1.148 33.690 32.500 0.069 0.000 0.807 3 K HN 0.468 8.761 8.250 0.071 0.000 0.497 4 N N -4.309 114.396 118.700 0.009 0.000 2.396 4 N HA 0.386 5.217 4.740 -0.031 -0.109 0.275 4 N C -1.767 173.733 175.510 -0.016 0.000 1.218 4 N CA -0.569 52.472 53.050 -0.015 0.000 0.812 4 N CB 4.270 42.750 38.487 -0.011 0.000 1.592 4 N HN -0.778 7.615 8.380 0.022 0.000 0.480 5 V N -1.987 117.912 119.914 -0.024 0.000 3.147 5 V HA 0.429 4.712 4.120 -0.052 -0.193 0.306 5 V C -2.371 173.670 176.094 -0.088 0.000 1.209 5 V CA -0.946 61.333 62.300 -0.036 0.000 1.023 5 V CB 4.544 36.393 31.823 0.044 0.000 1.059 5 V HN 0.059 8.233 8.190 -0.027 0.000 0.435 6 L N 3.501 124.630 121.223 -0.157 0.000 2.555 6 L HA 0.773 5.217 4.340 -0.194 -0.221 0.264 6 L C -2.032 174.659 176.870 -0.297 0.000 0.972 6 L CA -0.699 54.024 54.840 -0.194 0.000 0.876 6 L CB 3.148 45.134 42.059 -0.122 0.000 1.216 6 L HN 0.188 8.318 8.230 -0.167 0.000 0.415 7 V N 6.553 126.199 119.914 -0.446 0.000 2.785 7 V HA 0.365 4.318 4.120 -0.516 -0.142 0.300 7 V C -0.959 174.956 176.094 -0.298 0.000 1.062 7 V CA -1.109 60.879 62.300 -0.521 0.000 1.029 7 V CB 1.247 32.572 31.823 -0.830 0.000 1.024 7 V HN -0.008 7.900 8.190 -0.469 0.000 0.477 8 G N 3.271 111.924 108.800 -0.245 0.000 2.737 8 G HA2 0.386 4.430 3.960 -0.096 0.000 0.290 8 G HA3 0.386 4.314 3.960 -0.054 0.000 0.290 8 G C -2.928 171.878 174.900 -0.157 0.000 1.482 8 G CA -0.629 44.399 45.100 -0.121 0.000 1.017 8 G HN -0.003 7.995 8.290 -0.308 0.107 0.529 9 L N 6.003 127.143 121.223 -0.139 0.000 2.313 9 L HA 0.793 5.068 4.340 -0.370 -0.156 0.283 9 L C -2.120 174.608 176.870 -0.236 0.000 1.013 9 L CA -1.864 52.856 54.840 -0.200 0.000 0.816 9 L CB 3.107 45.177 42.059 0.020 0.000 1.236 9 L HN -0.572 7.620 8.230 -0.062 0.000 0.419 10 G N 4.423 112.744 108.800 -0.799 0.000 2.667 10 G HA2 0.761 4.768 3.960 -0.196 0.000 0.298 10 G HA3 0.761 4.566 3.960 -0.502 -0.145 0.298 10 G C -3.348 171.475 174.900 -0.129 0.000 1.377 10 G CA -0.123 44.678 45.100 -0.500 0.000 0.964 10 G HN 0.508 7.927 8.290 -1.451 0.000 0.493 11 W N -0.784 120.504 121.300 -0.019 0.000 3.248 11 W HA 0.506 5.297 4.660 0.219 0.000 0.311 11 W C -2.826 173.787 176.519 0.157 0.000 1.258 11 W CA -1.307 56.108 57.345 0.117 0.000 1.191 11 W CB 2.481 31.987 29.460 0.078 0.000 1.389 11 W HN 0.875 9.257 8.180 -0.433 -0.462 0.561 12 D N 1.787 122.342 120.400 0.258 0.000 2.249 12 D HA 0.076 4.711 4.640 -0.008 0.000 0.246 12 D C -1.286 175.193 176.300 0.297 0.000 1.114 12 D CA -0.588 53.498 54.000 0.143 0.000 0.854 12 D CB 2.667 43.559 40.800 0.154 0.000 1.132 12 D HN 0.027 8.622 8.370 0.375 0.000 0.461 13 A N 2.857 125.798 122.820 0.201 0.000 2.354 13 A HA 0.135 4.827 4.320 0.620 0.000 0.269 13 A C -1.138 176.589 177.584 0.239 0.000 1.109 13 A CA -0.564 51.671 52.037 0.330 0.000 0.800 13 A CB 1.321 20.429 19.000 0.180 0.000 1.045 13 A HN 0.238 8.413 8.150 0.042 0.000 0.489 14 R N 2.447 123.122 120.500 0.291 0.000 2.291 14 R HA -0.096 4.353 4.340 0.182 0.000 0.333 14 R C -0.592 175.748 176.300 0.068 0.000 1.082 14 R CA -0.073 56.145 56.100 0.198 0.000 0.948 14 R CB 0.028 30.508 30.300 0.301 0.000 1.009 14 R HN 0.196 8.717 8.270 0.419 0.000 0.460 15 S N 6.292 122.025 115.700 0.056 0.000 2.474 15 S HA 0.214 4.684 4.470 0.000 0.000 0.276 15 S C -0.220 174.392 174.600 0.019 0.000 1.227 15 S CA -0.127 58.085 58.200 0.020 0.000 1.050 15 S CB 0.604 63.816 63.200 0.019 0.000 0.939 15 S HN 0.040 8.393 8.310 0.071 0.000 0.490 16 T N 5.340 119.896 114.554 0.003 0.000 3.421 16 T HA 0.042 4.399 4.350 0.013 0.000 0.277 16 T C -0.449 174.250 174.700 -0.003 0.000 0.867 16 T CA 1.143 63.247 62.100 0.007 0.000 0.957 16 T CB 0.940 69.817 68.868 0.014 0.000 1.225 16 T HN 0.350 8.583 8.240 -0.011 0.000 0.544 17 D N -1.218 119.173 120.400 -0.014 0.000 2.783 17 D HA 0.234 4.868 4.640 -0.010 0.000 0.306 17 D C 0.291 176.577 176.300 -0.024 0.000 1.633 17 D CA 0.657 54.647 54.000 -0.016 0.000 0.796 17 D CB 0.526 41.317 40.800 -0.015 0.000 1.230 17 D HN -0.238 8.118 8.370 -0.024 0.000 0.441 18 G N -0.868 107.915 108.800 -0.028 0.000 2.157 18 G HA2 -0.302 3.643 3.960 -0.026 0.000 0.239 18 G HA3 -0.302 3.643 3.960 -0.026 0.000 0.239 18 G C -0.535 174.333 174.900 -0.054 0.000 0.982 18 G CA 0.121 45.202 45.100 -0.032 0.000 0.650 18 G HN -0.072 8.203 8.290 -0.025 0.000 0.527 19 Q N -0.524 119.227 119.800 -0.081 0.000 2.382 19 Q HA -0.037 4.225 4.340 -0.130 0.000 0.229 19 Q C -1.632 174.248 176.000 -0.200 0.000 1.006 19 Q CA -0.052 55.660 55.803 -0.151 0.000 0.916 19 Q CB 1.015 29.639 28.738 -0.191 0.000 1.235 19 Q HN -0.264 7.910 8.270 -0.067 0.056 0.512 20 D N -2.458 117.755 120.400 -0.310 0.000 2.722 20 D HA 0.148 4.629 4.640 -0.266 0.000 0.231 20 D C -1.748 174.361 176.300 -0.319 0.000 1.218 20 D CA -0.307 53.542 54.000 -0.251 0.000 0.753 20 D CB 2.165 42.954 40.800 -0.019 0.000 1.471 20 D HN -0.017 8.148 8.370 -0.341 0.000 0.455 21 F N -1.960 118.131 119.950 0.234 0.000 2.399 21 F HA 0.322 4.888 4.527 0.065 0.000 0.328 21 F C -0.574 175.325 175.800 0.165 0.000 1.084 21 F CA -0.909 57.172 58.000 0.135 0.000 1.053 21 F CB 1.944 40.975 39.000 0.051 0.000 1.209 21 F HN 0.368 8.811 8.300 0.238 0.000 0.502 22 D N 0.389 120.883 120.400 0.158 0.000 2.386 22 D HA 0.102 4.794 4.640 0.086 0.000 0.247 22 D C -1.684 174.517 176.300 -0.165 0.000 1.336 22 D CA -0.674 53.349 54.000 0.039 0.000 0.976 22 D CB 1.043 41.947 40.800 0.173 0.000 1.257 22 D HN 0.303 8.774 8.370 0.168 0.000 0.570 23 L N 2.265 123.157 121.223 -0.551 0.000 2.418 23 L HA 0.122 4.440 4.340 -0.164 -0.077 0.265 23 L C 0.028 176.867 176.870 -0.052 0.000 1.143 23 L CA 0.043 54.704 54.840 -0.297 0.000 0.809 23 L CB 1.041 42.859 42.059 -0.403 0.000 1.124 23 L HN 0.260 7.752 8.230 -1.229 0.000 0.456 24 D N 2.090 122.542 120.400 0.087 0.000 2.412 24 D HA 0.198 4.977 4.640 0.231 0.000 0.224 24 D C -1.238 175.211 176.300 0.248 0.000 1.093 24 D CA -0.796 53.321 54.000 0.194 0.000 0.850 24 D CB 2.102 43.025 40.800 0.206 0.000 1.046 24 D HN 0.542 8.857 8.370 0.085 0.106 0.507 25 A N 6.889 129.865 122.820 0.259 0.000 2.274 25 A HA 0.776 5.469 4.320 0.296 -0.196 0.309 25 A C -1.347 176.467 177.584 0.384 0.000 1.226 25 A CA -1.706 50.510 52.037 0.298 0.000 0.853 25 A CB 1.705 20.855 19.000 0.249 0.000 1.146 25 A HN 0.416 8.725 8.150 0.265 0.000 0.518 26 S N 2.432 118.396 115.700 0.440 0.000 2.638 26 S HA 0.387 5.152 4.470 0.492 0.000 0.274 26 S C -2.348 172.540 174.600 0.479 0.000 1.157 26 S CA -1.106 57.343 58.200 0.416 0.000 0.826 26 S CB 2.110 65.432 63.200 0.203 0.000 1.139 26 S HN 0.326 8.912 8.310 0.459 0.000 0.474 27 A N 0.360 123.378 122.820 0.330 0.000 2.330 27 A HA 0.525 5.206 4.320 0.389 -0.127 0.327 27 A C -1.873 175.862 177.584 0.251 0.000 1.155 27 A CA -1.781 50.435 52.037 0.300 0.000 0.803 27 A CB 2.414 21.491 19.000 0.130 0.000 1.208 27 A HN 0.263 8.533 8.150 0.199 0.000 0.477 28 F N 1.268 121.203 119.950 -0.025 0.000 2.415 28 F HA 0.674 5.428 4.527 0.043 -0.201 0.348 28 F C -1.062 174.675 175.800 -0.105 0.000 1.119 28 F CA -1.479 56.504 58.000 -0.029 0.000 1.069 28 F CB 2.129 41.089 39.000 -0.066 0.000 1.124 28 F HN 0.502 9.037 8.300 0.392 0.000 0.472 29 L N 1.903 123.134 121.223 0.013 0.000 2.325 29 L HA 0.493 4.934 4.340 -0.030 -0.119 0.279 29 L C -1.128 175.745 176.870 0.005 0.000 1.054 29 L CA -0.805 54.027 54.840 -0.013 0.000 0.804 29 L CB 1.003 43.045 42.059 -0.027 0.000 1.200 29 L HN 0.111 8.363 8.230 -0.045 -0.048 0.436 30 L N 0.273 121.500 121.223 0.008 0.000 2.464 30 L HA 0.263 4.616 4.340 0.023 0.000 0.266 30 L C -1.941 174.954 176.870 0.043 0.000 0.965 30 L CA -0.976 53.873 54.840 0.015 0.000 0.833 30 L CB 4.851 46.894 42.059 -0.027 0.000 1.296 30 L HN 0.039 8.276 8.230 0.012 0.000 0.405 31 A N 2.194 125.039 122.820 0.043 0.000 2.267 31 A HA 0.318 4.676 4.320 0.064 0.000 0.271 31 A C 0.407 178.020 177.584 0.048 0.000 1.131 31 A CA -0.710 51.358 52.037 0.050 0.000 0.818 31 A CB 1.256 20.279 19.000 0.040 0.000 1.118 31 A HN -0.126 8.047 8.150 0.038 0.000 0.501 32 A N -2.212 120.635 122.820 0.045 0.000 2.238 32 A HA -0.077 4.269 4.320 0.042 0.000 0.208 32 A C 0.513 178.112 177.584 0.024 0.000 1.177 32 A CA 1.634 53.693 52.037 0.036 0.000 0.804 32 A CB -0.604 18.414 19.000 0.029 0.000 0.823 32 A HN 0.319 8.600 8.150 0.044 -0.105 0.482 33 N N -2.914 115.801 118.700 0.025 0.000 2.467 33 N HA -0.061 4.688 4.740 0.016 0.000 0.184 33 N C 0.618 176.140 175.510 0.020 0.000 1.106 33 N CA 0.699 53.761 53.050 0.020 0.000 0.892 33 N CB 0.438 38.937 38.487 0.021 0.000 0.969 33 N HN 0.040 8.354 8.380 0.029 0.083 0.454 34 G N -1.476 107.338 108.800 0.023 0.000 2.195 34 G HA2 -0.330 3.642 3.960 0.019 0.000 0.246 34 G HA3 -0.330 3.642 3.960 0.020 0.000 0.246 34 G C -1.561 173.362 174.900 0.039 0.000 0.984 34 G CA 0.413 45.527 45.100 0.024 0.000 0.633 34 G HN -0.573 7.677 8.290 0.025 0.055 0.525 35 K N -1.065 119.359 120.400 0.039 0.000 2.156 35 K HA 0.293 4.651 4.320 0.063 0.000 0.250 35 K C -0.386 176.247 176.600 0.055 0.000 0.955 35 K CA -1.980 54.337 56.287 0.051 0.000 0.855 35 K CB 2.252 34.776 32.500 0.040 0.000 1.101 35 K HN -0.651 7.537 8.250 0.033 0.082 0.434 36 V N -2.642 117.316 119.914 0.074 0.000 2.655 36 V HA -0.220 3.936 4.120 0.060 0.000 0.300 36 V C -0.009 176.113 176.094 0.047 0.000 1.044 36 V CA 0.315 62.657 62.300 0.070 0.000 1.095 36 V CB 0.472 32.357 31.823 0.103 0.000 0.952 36 V HN 0.279 8.522 8.190 0.088 0.000 0.485 37 R N 6.379 126.901 120.500 0.036 0.000 2.346 37 R HA -0.084 4.274 4.340 0.029 0.000 0.199 37 R C -0.182 176.131 176.300 0.022 0.000 1.015 37 R CA 0.799 56.915 56.100 0.027 0.000 1.058 37 R CB 0.019 30.334 30.300 0.025 0.000 0.921 37 R HN 0.562 8.852 8.270 0.034 0.000 0.475 38 G N -1.975 106.841 108.800 0.026 0.000 2.608 38 G HA2 0.091 4.063 3.960 0.020 0.000 0.285 38 G HA3 0.091 4.056 3.960 0.010 0.000 0.285 38 G C -0.938 173.985 174.900 0.038 0.000 1.407 38 G CA -0.843 44.270 45.100 0.022 0.000 1.276 38 G HN -0.670 7.499 8.290 0.036 0.143 0.587 39 D N 1.358 121.782 120.400 0.040 0.000 2.362 39 D HA -0.366 4.308 4.640 0.056 0.000 0.215 39 D C 0.025 176.361 176.300 0.061 0.000 0.978 39 D CA 2.263 56.293 54.000 0.050 0.000 0.921 39 D CB -0.295 40.529 40.800 0.040 0.000 0.895 39 D HN 0.293 8.683 8.370 0.033 0.000 0.494 40 A N -1.904 120.950 122.820 0.057 0.000 1.942 40 A HA -0.184 4.192 4.320 0.093 0.000 0.209 40 A C -0.274 177.336 177.584 0.042 0.000 1.214 40 A CA 1.301 53.384 52.037 0.077 0.000 0.686 40 A CB 0.739 19.794 19.000 0.092 0.000 0.871 40 A HN -0.324 7.746 8.150 0.042 0.105 0.460 41 D N -5.178 115.217 120.400 -0.009 0.000 3.044 41 D HA -0.385 4.207 4.640 -0.081 0.000 0.223 41 D C -2.082 173.891 176.300 -0.546 0.000 1.191 41 D CA 1.295 55.235 54.000 -0.101 0.000 0.881 41 D CB -0.730 40.150 40.800 0.134 0.000 1.115 41 D HN -0.367 7.919 8.370 0.005 0.087 0.408 42 F N -2.586 117.040 119.950 -0.540 0.000 2.716 42 F HA 0.244 4.019 4.527 -1.253 0.000 0.354 42 F C -2.038 173.679 175.800 -0.137 0.000 1.168 42 F CA -1.738 55.859 58.000 -0.671 0.000 1.045 42 F CB 1.362 40.085 39.000 -0.462 0.000 1.311 42 F HN -0.883 7.280 8.300 -0.075 0.093 0.477 43 I N 2.163 122.364 120.570 -0.615 0.000 2.392 43 I HA 0.503 4.462 4.170 -0.351 0.000 0.295 43 I C -2.431 173.379 176.117 -0.511 0.000 0.985 43 I CA -0.950 60.094 61.300 -0.428 0.000 1.221 43 I CB 1.390 39.254 38.000 -0.227 0.000 1.366 43 I HN -0.415 7.464 8.210 -0.552 0.000 0.467 44 F N 1.193 120.705 119.950 -0.730 0.000 3.578 44 F HA 0.436 4.457 4.527 -0.843 0.000 0.328 44 F C -0.865 174.572 175.800 -0.605 0.000 1.214 44 F CA -1.960 55.512 58.000 -0.880 0.000 0.929 44 F CB 0.596 38.875 39.000 -1.201 0.000 1.612 44 F HN -0.503 7.251 8.300 -0.909 0.000 0.524 45 Y N -2.544 117.600 120.300 -0.260 0.000 2.173 45 Y HA -0.362 4.030 4.550 -0.264 0.000 0.282 45 Y C 0.350 175.944 175.900 -0.509 0.000 1.192 45 Y CA 1.976 59.909 58.100 -0.278 0.000 1.176 45 Y CB -0.790 37.664 38.460 -0.011 0.000 0.969 45 Y HN 0.342 7.639 8.280 -1.637 0.000 0.519 46 N N -2.072 115.989 118.700 -1.065 0.000 2.651 46 N HA -0.187 4.323 4.740 -0.384 0.000 0.193 46 N C -0.547 174.636 175.510 -0.546 0.000 1.149 46 N CA 1.086 53.650 53.050 -0.810 0.000 0.933 46 N CB -0.372 37.404 38.487 -1.185 0.000 0.974 46 N HN -0.209 6.819 8.380 -2.221 0.020 0.448 47 N N -1.228 117.172 118.700 -0.501 0.000 2.594 47 N HA 0.107 4.725 4.740 -0.203 0.000 0.280 47 N C -0.311 175.114 175.510 -0.142 0.000 1.156 47 N CA -0.796 52.092 53.050 -0.271 0.000 0.831 47 N CB 0.822 39.144 38.487 -0.275 0.000 1.379 47 N HN -0.005 7.766 8.380 -0.592 0.253 0.536 48 L N 1.786 122.963 121.223 -0.076 0.000 2.197 48 L HA -0.330 4.019 4.340 0.014 0.000 0.215 48 L C -0.499 176.398 176.870 0.045 0.000 1.095 48 L CA 2.234 57.072 54.840 -0.003 0.000 0.764 48 L CB -0.336 41.719 42.059 -0.006 0.000 0.897 48 L HN 0.411 8.590 8.230 -0.085 0.000 0.436 49 K N -8.884 111.521 120.400 0.009 0.000 2.642 49 K HA 0.140 4.497 4.320 0.062 0.000 0.290 49 K C -1.781 174.806 176.600 -0.021 0.000 1.006 49 K CA -1.601 54.697 56.287 0.018 0.000 0.869 49 K CB 2.263 34.766 32.500 0.005 0.000 1.499 49 K HN -0.874 7.522 8.250 -0.031 -0.165 0.403 50 S N 0.060 115.744 115.700 -0.027 0.000 2.572 50 S HA -0.103 4.333 4.470 -0.057 0.000 0.279 50 S C 0.548 175.127 174.600 -0.035 0.000 1.341 50 S CA -0.670 57.504 58.200 -0.043 0.000 1.043 50 S CB 0.820 63.992 63.200 -0.046 0.000 0.887 50 S HN 0.179 8.365 8.310 -0.023 0.109 0.516 51 A N 5.426 128.225 122.820 -0.035 0.000 1.874 51 A HA -0.046 4.260 4.320 -0.023 0.000 0.214 51 A C 0.523 178.098 177.584 -0.015 0.000 1.189 51 A CA 1.853 53.876 52.037 -0.024 0.000 0.615 51 A CB 0.058 19.044 19.000 -0.024 0.000 0.830 51 A HN 0.419 8.543 8.150 -0.042 0.000 0.443 52 D N -3.965 116.427 120.400 -0.014 0.000 2.469 52 D HA 0.094 4.736 4.640 0.003 0.000 0.213 52 D C 0.167 176.464 176.300 -0.006 0.000 1.135 52 D CA -0.171 53.828 54.000 -0.001 0.000 0.834 52 D CB 1.197 42.002 40.800 0.008 0.000 1.009 52 D HN 0.010 8.368 8.370 -0.019 0.000 0.507 53 G N -1.819 106.966 108.800 -0.025 0.000 2.777 53 G HA2 -0.042 3.892 3.960 -0.044 0.000 0.211 53 G HA3 -0.042 3.885 3.960 -0.056 0.000 0.211 53 G C -0.652 174.213 174.900 -0.059 0.000 1.149 53 G CA 0.313 45.385 45.100 -0.047 0.000 0.785 53 G HN -0.539 7.681 8.290 -0.028 0.053 0.536 54 S N -3.514 112.162 115.700 -0.040 0.000 3.270 54 S HA -0.398 4.056 4.470 -0.027 0.000 0.293 54 S C -1.353 173.218 174.600 -0.050 0.000 1.278 54 S CA 0.376 58.552 58.200 -0.040 0.000 1.038 54 S CB -1.384 61.789 63.200 -0.045 0.000 1.218 54 S HN -0.002 8.244 8.310 -0.029 0.047 0.659 55 V N 0.099 119.982 119.914 -0.053 0.000 2.743 55 V HA 0.301 4.509 4.120 -0.047 -0.116 0.301 55 V C -0.213 175.843 176.094 -0.063 0.000 1.057 55 V CA 0.309 62.576 62.300 -0.055 0.000 1.006 55 V CB 1.899 33.692 31.823 -0.051 0.000 1.024 55 V HN -0.548 7.535 8.190 -0.052 0.076 0.473 56 T N 5.987 120.485 114.554 -0.093 0.000 2.993 56 T HA 0.311 4.653 4.350 -0.013 0.000 0.312 56 T C -2.076 172.557 174.700 -0.111 0.000 1.115 56 T CA -0.471 61.593 62.100 -0.059 0.000 1.027 56 T CB 2.878 71.732 68.868 -0.022 0.000 1.116 56 T HN 0.710 8.885 8.240 -0.109 0.000 0.464 57 H N 6.775 125.853 119.070 0.014 0.000 2.562 57 H HA 0.194 4.771 4.556 0.035 0.000 0.314 57 H C 0.710 176.055 175.328 0.027 0.000 1.079 57 H CA 0.811 56.881 56.048 0.036 0.000 1.349 57 H CB 0.916 30.721 29.762 0.071 0.000 1.432 57 H HN -0.012 8.376 8.280 0.180 0.000 0.479 58 T N 6.890 121.513 114.554 0.115 0.000 2.668 58 T HA -0.235 4.142 4.350 0.046 0.000 0.262 58 T C 0.383 175.131 174.700 0.081 0.000 1.045 58 T CA 2.781 64.922 62.100 0.067 0.000 1.152 58 T CB 0.599 69.487 68.868 0.033 0.000 0.864 58 T HN 0.722 8.913 8.240 0.088 0.102 0.419 59 G N 1.816 110.677 108.800 0.101 0.000 2.413 59 G HA2 0.222 4.219 3.960 0.061 0.000 0.285 59 G HA3 0.222 4.206 3.960 0.041 0.000 0.285 59 G C -2.917 172.035 174.900 0.087 0.000 1.337 59 G CA -0.122 45.020 45.100 0.070 0.000 1.324 59 G HN -0.398 7.966 8.290 0.125 0.000 0.611 60 D N 2.704 123.146 120.400 0.070 0.000 2.338 60 D HA 0.061 4.988 4.640 0.167 -0.186 0.255 60 D C -0.842 175.442 176.300 -0.028 0.000 1.237 60 D CA -0.804 53.228 54.000 0.053 0.000 0.883 60 D CB -0.382 40.382 40.800 -0.059 0.000 1.087 60 D HN -0.152 8.250 8.370 0.053 0.000 0.485 61 N N 4.402 123.138 118.700 0.059 0.000 2.385 61 N HA -0.016 4.715 4.740 -0.014 0.000 0.291 61 N C -0.895 174.653 175.510 0.064 0.000 1.298 61 N CA -0.605 52.468 53.050 0.038 0.000 0.955 61 N CB 0.815 39.319 38.487 0.028 0.000 1.096 61 N HN 0.070 8.653 8.380 0.140 -0.119 0.543 62 R N -3.349 117.215 120.500 0.106 0.000 2.471 62 R HA 0.135 4.576 4.340 0.169 0.000 0.367 62 R C -1.584 174.849 176.300 0.221 0.000 0.799 62 R CA 0.368 56.549 56.100 0.135 0.000 1.055 62 R CB 0.661 30.971 30.300 0.017 0.000 1.704 62 R HN 0.345 8.659 8.270 0.072 0.000 0.531 63 T N -6.818 107.893 114.554 0.262 0.000 3.367 63 T HA 0.119 4.791 4.350 0.355 -0.109 0.273 63 T C -0.226 174.499 174.700 0.042 0.000 0.879 63 T CA 0.687 62.929 62.100 0.237 0.000 0.952 63 T CB 2.422 71.327 68.868 0.061 0.000 1.236 63 T HN -0.401 7.959 8.240 0.200 0.000 0.532 64 G N 1.788 110.322 108.800 -0.443 0.000 2.153 64 G HA2 -0.383 2.926 3.960 -1.130 0.000 0.252 64 G HA3 -0.383 1.931 3.960 -2.788 -0.028 0.252 64 G C -1.334 173.173 174.900 -0.655 0.000 0.994 64 G CA 0.306 44.639 45.100 -1.278 0.000 0.698 64 G HN -0.059 8.087 8.290 -0.240 0.000 0.521 65 E N 0.828 120.843 120.200 -0.309 0.000 2.491 65 E HA -0.362 3.909 4.350 -0.131 0.000 0.250 65 E C -0.627 175.881 176.600 -0.154 0.000 1.061 65 E CA 1.170 57.472 56.400 -0.164 0.000 0.942 65 E CB -0.401 29.248 29.700 -0.085 0.000 0.957 65 E HN -0.800 7.373 8.360 -0.232 0.047 0.480 66 G N 5.332 114.057 108.800 -0.124 0.000 2.455 66 G HA2 0.034 3.960 3.960 -0.056 0.000 0.223 66 G HA3 0.034 3.936 3.960 -0.097 0.000 0.223 66 G C -2.591 172.284 174.900 -0.042 0.000 1.226 66 G CA -0.310 44.741 45.100 -0.081 0.000 0.948 66 G HN -0.420 7.804 8.290 -0.111 0.000 0.478 67 D N 0.403 120.794 120.400 -0.016 0.000 3.602 67 D HA 0.238 4.909 4.640 0.051 0.000 0.275 67 D C -1.155 175.174 176.300 0.048 0.000 1.348 67 D CA 0.299 54.314 54.000 0.024 0.000 0.768 67 D CB 0.488 41.291 40.800 0.005 0.000 1.373 67 D HN 0.041 8.397 8.370 -0.024 0.000 0.683 68 G N -0.818 108.055 108.800 0.122 0.000 2.342 68 G HA2 -0.091 3.965 3.960 0.161 0.000 0.297 68 G HA3 -0.091 3.924 3.960 0.093 0.000 0.297 68 G C -2.950 172.146 174.900 0.326 0.000 1.313 68 G CA 0.203 45.414 45.100 0.186 0.000 0.830 68 G HN -0.660 7.700 8.290 0.117 0.000 0.506 69 D N 0.613 121.224 120.400 0.352 0.000 2.518 69 D HA -0.268 4.493 4.640 0.201 0.000 0.270 69 D C -0.608 175.713 176.300 0.036 0.000 1.338 69 D CA 1.444 55.571 54.000 0.211 0.000 0.983 69 D CB 0.084 40.969 40.800 0.142 0.000 1.126 69 D HN 0.050 8.589 8.370 0.282 0.000 0.543 70 D N 5.088 125.450 120.400 -0.064 0.000 2.084 70 D HA -0.140 4.418 4.640 -0.136 0.000 0.199 70 D C 0.573 176.844 176.300 -0.047 0.000 0.981 70 D CA 1.848 55.757 54.000 -0.151 0.000 0.841 70 D CB 0.434 40.955 40.800 -0.465 0.000 0.997 70 D HN 0.037 8.343 8.370 -0.107 0.000 0.454 71 E N -1.985 118.237 120.200 0.035 0.000 2.292 71 E HA 0.140 4.541 4.350 0.086 0.000 0.258 71 E C -0.628 176.004 176.600 0.053 0.000 1.115 71 E CA -0.135 56.326 56.400 0.100 0.000 0.929 71 E CB 2.391 32.224 29.700 0.222 0.000 1.161 71 E HN -0.056 8.343 8.360 0.066 0.000 0.453 72 S N -1.367 114.369 115.700 0.061 0.000 2.562 72 S HA 0.487 5.111 4.470 -0.045 -0.181 0.274 72 S C -1.288 173.299 174.600 -0.022 0.000 1.160 72 S CA -0.175 58.021 58.200 -0.006 0.000 0.933 72 S CB 2.574 65.766 63.200 -0.012 0.000 1.100 72 S HN 0.256 8.633 8.310 0.112 0.000 0.468 73 L N 6.123 127.275 121.223 -0.117 0.000 2.319 73 L HA 0.381 4.732 4.340 -0.192 -0.125 0.281 73 L C -1.679 175.088 176.870 -0.172 0.000 1.005 73 L CA -0.698 54.025 54.840 -0.196 0.000 0.828 73 L CB 3.200 45.087 42.059 -0.287 0.000 1.227 73 L HN 0.639 8.773 8.230 -0.159 0.000 0.415 74 K N 4.110 124.437 120.400 -0.121 0.000 2.156 74 K HA 0.351 4.616 4.320 -0.091 0.000 0.271 74 K C -1.095 175.467 176.600 -0.064 0.000 0.995 74 K CA -0.279 55.958 56.287 -0.083 0.000 0.890 74 K CB 1.691 34.158 32.500 -0.054 0.000 1.073 74 K HN 0.648 8.829 8.250 -0.115 0.000 0.454 75 I N 2.412 122.957 120.570 -0.042 0.000 2.689 75 I HA 0.343 4.630 4.170 -0.031 -0.136 0.299 75 I C -0.976 175.116 176.117 -0.043 0.000 1.059 75 I CA -1.246 60.041 61.300 -0.022 0.000 1.055 75 I CB 4.265 42.298 38.000 0.056 0.000 1.243 75 I HN 0.278 8.458 8.210 -0.050 0.000 0.425 76 K N 4.795 125.159 120.400 -0.060 0.000 2.701 76 K HA 0.435 4.729 4.320 -0.045 0.000 0.212 76 K C 0.162 176.712 176.600 -0.084 0.000 1.035 76 K CA -0.772 55.483 56.287 -0.053 0.000 1.048 76 K CB 0.375 32.858 32.500 -0.027 0.000 1.234 76 K HN -0.116 8.093 8.250 -0.068 0.000 0.540 77 L N 4.033 125.164 121.223 -0.153 0.000 2.141 77 L HA -0.254 3.899 4.340 -0.312 0.000 0.209 77 L C 1.217 178.118 176.870 0.051 0.000 1.094 77 L CA 2.880 57.566 54.840 -0.258 0.000 0.763 77 L CB -0.196 41.419 42.059 -0.740 0.000 0.908 77 L HN 0.021 8.162 8.230 -0.149 0.000 0.437 78 D N -2.120 118.325 120.400 0.076 0.000 2.389 78 D HA -0.263 4.490 4.640 0.189 0.000 0.221 78 D C 0.131 176.488 176.300 0.095 0.000 0.974 78 D CA 1.841 55.914 54.000 0.122 0.000 0.923 78 D CB -0.096 40.750 40.800 0.077 0.000 0.892 78 D HN -0.539 7.834 8.370 0.027 0.014 0.518 79 A N -2.133 120.728 122.820 0.068 0.000 2.594 79 A HA 0.204 4.557 4.320 0.056 0.000 0.287 79 A C -0.142 177.480 177.584 0.063 0.000 1.227 79 A CA -0.679 51.389 52.037 0.052 0.000 0.952 79 A CB 0.938 19.951 19.000 0.022 0.000 1.161 79 A HN -0.627 7.324 8.150 0.042 0.224 0.524 80 V N 2.143 122.126 119.914 0.116 0.000 2.294 80 V HA 0.310 4.480 4.120 0.084 0.000 0.272 80 V C -1.955 174.249 176.094 0.185 0.000 1.027 80 V CA -1.888 60.498 62.300 0.143 0.000 0.823 80 V CB 0.504 32.431 31.823 0.173 0.000 1.030 80 V HN -0.149 7.978 8.190 0.162 0.161 0.457 81 P HA -0.062 4.403 4.420 0.075 0.000 0.277 81 P C -0.000 177.359 177.300 0.099 0.000 1.269 81 P CA -0.136 63.017 63.100 0.088 0.000 0.840 81 P CB 0.737 32.472 31.700 0.057 0.000 1.156 82 G N -3.577 105.255 108.800 0.054 0.000 2.920 82 G HA2 -0.090 3.883 3.960 0.021 0.000 0.208 82 G HA3 -0.090 3.874 3.960 0.007 0.000 0.208 82 G C -0.140 174.786 174.900 0.045 0.000 1.159 82 G CA 0.252 45.370 45.100 0.031 0.000 0.784 82 G HN 0.061 8.375 8.290 0.040 0.000 0.535 83 D N -1.073 119.362 120.400 0.058 0.000 2.077 83 D HA -0.176 4.487 4.640 0.039 0.000 0.196 83 D C 0.288 176.633 176.300 0.074 0.000 0.986 83 D CA 2.067 56.098 54.000 0.053 0.000 0.829 83 D CB 0.251 41.079 40.800 0.046 0.000 0.983 83 D HN -0.270 8.054 8.370 0.062 0.083 0.453 84 V N -2.764 117.217 119.914 0.111 0.000 2.732 84 V HA -0.215 3.970 4.120 0.107 0.000 0.297 84 V C -1.102 175.137 176.094 0.243 0.000 1.060 84 V CA 1.107 63.496 62.300 0.149 0.000 1.038 84 V CB 1.001 32.907 31.823 0.139 0.000 1.003 84 V HN -0.521 7.739 8.190 0.117 0.000 0.481 85 D N 1.393 121.939 120.400 0.243 0.000 2.490 85 D HA 0.176 4.956 4.640 0.233 0.000 0.246 85 D C -1.369 175.162 176.300 0.384 0.000 1.196 85 D CA 0.469 54.621 54.000 0.255 0.000 0.812 85 D CB 3.219 44.075 40.800 0.094 0.000 1.191 85 D HN -0.237 8.241 8.370 0.180 0.000 0.531 86 K N -0.292 120.287 120.400 0.299 0.000 2.535 86 K HA 0.517 5.204 4.320 0.347 -0.160 0.251 86 K C -2.771 173.860 176.600 0.051 0.000 0.942 86 K CA -0.644 55.772 56.287 0.215 0.000 0.798 86 K CB 3.697 36.259 32.500 0.103 0.000 1.267 86 K HN -0.525 7.859 8.250 0.223 0.000 0.434 87 I N 6.032 126.568 120.570 -0.056 0.000 2.531 87 I HA 0.454 4.694 4.170 -0.169 -0.171 0.283 87 I C -1.190 174.710 176.117 -0.361 0.000 1.083 87 I CA -0.812 60.349 61.300 -0.231 0.000 1.071 87 I CB 2.328 40.111 38.000 -0.363 0.000 1.210 87 I HN -0.084 8.130 8.210 0.006 0.000 0.450 88 I N -0.131 120.244 120.570 -0.324 0.000 2.693 88 I HA 0.514 4.437 4.170 -0.412 0.000 0.303 88 I C -1.717 174.167 176.117 -0.389 0.000 1.025 88 I CA -2.353 58.735 61.300 -0.353 0.000 1.086 88 I CB 3.501 41.393 38.000 -0.181 0.000 1.268 88 I HN 0.069 8.160 8.210 -0.198 0.000 0.440 89 F N 0.952 120.995 119.950 0.155 0.000 2.403 89 F HA 0.551 5.190 4.527 0.186 0.000 0.326 89 F C 0.135 176.033 175.800 0.164 0.000 1.081 89 F CA -0.740 57.363 58.000 0.172 0.000 1.041 89 F CB 1.754 40.841 39.000 0.145 0.000 1.234 89 F HN 0.011 8.316 8.300 0.008 0.000 0.503 90 V N -2.692 117.471 119.914 0.414 0.000 3.087 90 V HA 0.273 4.525 4.120 0.221 0.000 0.306 90 V C -1.951 174.334 176.094 0.318 0.000 1.187 90 V CA -0.866 61.602 62.300 0.280 0.000 0.999 90 V CB 4.666 36.562 31.823 0.121 0.000 1.049 90 V HN 0.541 9.034 8.190 0.505 0.000 0.431 91 V N 3.751 123.820 119.914 0.258 0.000 2.610 91 V HA 0.628 5.135 4.120 0.274 -0.223 0.298 91 V C -1.064 175.219 176.094 0.316 0.000 1.067 91 V CA -0.962 61.490 62.300 0.253 0.000 0.894 91 V CB 2.550 34.477 31.823 0.174 0.000 1.015 91 V HN 0.028 8.349 8.190 0.218 0.000 0.432 92 T N 3.500 118.239 114.554 0.309 0.000 2.864 92 T HA 0.631 5.354 4.350 0.459 -0.098 0.289 92 T C -1.269 173.469 174.700 0.062 0.000 1.082 92 T CA -2.829 59.430 62.100 0.264 0.000 1.009 92 T CB 3.657 72.632 68.868 0.179 0.000 1.234 92 T HN 0.506 8.910 8.240 0.273 0.000 0.526 93 I N -0.679 119.782 120.570 -0.182 0.000 2.472 93 I HA -0.021 4.017 4.170 -0.219 0.000 0.290 93 I C -1.062 175.022 176.117 -0.055 0.000 1.016 93 I CA -0.525 60.630 61.300 -0.242 0.000 1.348 93 I CB 0.147 37.883 38.000 -0.439 0.000 1.417 93 I HN 0.117 8.190 8.210 -0.227 0.000 0.521 94 H N 5.442 124.456 119.070 -0.094 0.000 2.332 94 H HA -0.031 4.491 4.556 -0.057 0.000 0.316 94 H C 1.229 176.531 175.328 -0.044 0.000 1.069 94 H CA 2.518 58.539 56.048 -0.046 0.000 1.484 94 H CB 2.329 32.100 29.762 0.014 0.000 1.496 94 H HN -0.062 8.253 8.280 0.059 0.000 0.623 95 D N 1.131 121.434 120.400 -0.161 0.000 2.315 95 D HA -0.308 4.131 4.640 -0.335 0.000 0.211 95 D C 1.507 177.706 176.300 -0.168 0.000 0.977 95 D CA 3.250 57.134 54.000 -0.194 0.000 0.894 95 D CB -1.116 39.675 40.800 -0.015 0.000 0.910 95 D HN -0.057 8.369 8.370 0.094 0.000 0.490 96 A N -0.764 121.965 122.820 -0.152 0.000 2.042 96 A HA -0.330 4.078 4.320 -0.109 -0.154 0.222 96 A C 2.485 179.988 177.584 -0.136 0.000 1.167 96 A CA 2.536 54.490 52.037 -0.138 0.000 0.649 96 A CB -1.026 17.873 19.000 -0.167 0.000 0.809 96 A HN 0.097 8.099 8.150 -0.141 0.064 0.457 97 Q N -1.325 118.368 119.800 -0.178 0.000 2.045 97 Q HA -0.387 3.879 4.340 -0.123 0.000 0.206 97 Q C 2.214 178.148 176.000 -0.111 0.000 0.991 97 Q CA 2.969 58.682 55.803 -0.150 0.000 0.851 97 Q CB -0.400 28.222 28.738 -0.194 0.000 0.911 97 Q HN -0.030 8.055 8.270 -0.241 0.041 0.418 98 A N -3.049 119.703 122.820 -0.112 0.000 1.956 98 A HA -0.048 4.235 4.320 -0.062 0.000 0.212 98 A C 1.925 179.476 177.584 -0.054 0.000 1.188 98 A CA 1.690 53.683 52.037 -0.072 0.000 0.675 98 A CB -0.002 18.959 19.000 -0.066 0.000 0.845 98 A HN -0.253 7.809 8.150 -0.147 0.000 0.455 99 R N -5.216 115.251 120.500 -0.055 0.000 2.265 99 R HA 0.104 4.431 4.340 -0.022 0.000 0.194 99 R C -0.671 175.605 176.300 -0.039 0.000 0.931 99 R CA -0.209 55.873 56.100 -0.030 0.000 1.032 99 R CB 1.097 31.395 30.300 -0.004 0.000 0.980 99 R HN -0.277 7.949 8.270 -0.072 0.000 0.497 100 R N -2.454 118.007 120.500 -0.064 0.000 3.205 100 R HA -0.326 3.970 4.340 -0.096 -0.015 0.249 100 R C -1.567 174.688 176.300 -0.076 0.000 0.937 100 R CA 0.648 56.703 56.100 -0.076 0.000 0.641 100 R CB -3.110 27.155 30.300 -0.058 0.000 1.114 100 R HN 0.025 8.093 8.270 -0.079 0.154 0.451 101 Q N -2.123 117.623 119.800 -0.092 0.000 2.235 101 Q HA 0.074 4.371 4.340 -0.071 0.000 0.256 101 Q C -0.401 175.474 176.000 -0.210 0.000 0.951 101 Q CA -0.671 55.073 55.803 -0.099 0.000 0.890 101 Q CB 2.247 30.969 28.738 -0.026 0.000 1.279 101 Q HN -0.448 7.763 8.270 -0.098 0.000 0.444 102 S N 0.373 115.951 115.700 -0.203 0.000 2.654 102 S HA 0.192 4.403 4.470 -0.432 0.000 0.283 102 S C 0.948 175.365 174.600 -0.305 0.000 1.180 102 S CA -1.276 56.761 58.200 -0.273 0.000 1.021 102 S CB 2.532 65.682 63.200 -0.083 0.000 1.018 102 S HN 0.167 8.394 8.310 -0.140 0.000 0.532 103 F N 1.953 121.829 119.950 -0.122 0.000 2.184 103 F HA -0.395 4.011 4.527 -0.202 0.000 0.301 103 F C 2.240 177.932 175.800 -0.179 0.000 1.076 103 F CA 4.132 62.041 58.000 -0.152 0.000 1.295 103 F CB -0.853 38.098 39.000 -0.081 0.000 1.026 103 F HN 0.709 8.634 8.300 -0.625 0.000 0.494 104 G N -2.388 106.445 108.800 0.056 0.000 2.442 104 G HA2 -0.476 3.490 3.960 0.010 0.000 0.219 104 G HA3 -0.476 3.484 3.960 -0.001 0.000 0.219 104 G C 0.652 175.467 174.900 -0.143 0.000 1.141 104 G CA 1.277 46.366 45.100 -0.018 0.000 0.763 104 G HN 0.111 8.447 8.290 0.115 0.022 0.554 105 Q N -0.592 119.070 119.800 -0.230 0.000 2.389 105 Q HA -0.272 3.961 4.340 -0.179 0.000 0.213 105 Q C 0.468 176.003 176.000 -0.775 0.000 0.989 105 Q CA 1.487 57.075 55.803 -0.360 0.000 0.891 105 Q CB -0.079 28.458 28.738 -0.336 0.000 0.923 105 Q HN -0.085 7.945 8.270 -0.189 0.126 0.455 106 V N -3.412 116.049 119.914 -0.755 0.000 3.170 106 V HA -0.105 3.225 4.120 -1.316 0.000 0.309 106 V C 0.418 176.425 176.094 -0.145 0.000 1.071 106 V CA -0.579 61.304 62.300 -0.695 0.000 1.063 106 V CB 0.642 32.251 31.823 -0.357 0.000 1.123 106 V HN -0.521 7.185 8.190 -0.487 0.192 0.464 107 S N 1.193 116.937 115.700 0.072 0.000 2.447 107 S HA -0.184 4.339 4.470 0.088 0.000 0.233 107 S C 0.302 174.968 174.600 0.110 0.000 1.006 107 S CA 1.602 59.873 58.200 0.117 0.000 0.957 107 S CB 0.687 63.991 63.200 0.174 0.000 0.773 107 S HN -0.017 8.404 8.310 0.186 0.000 0.507 108 G N -1.359 107.527 108.800 0.143 0.000 2.927 108 G HA2 -0.059 3.972 3.960 0.119 0.000 0.233 108 G HA3 -0.059 3.989 3.960 0.146 0.000 0.233 108 G C -1.895 173.166 174.900 0.269 0.000 3.757 108 G CA -0.466 44.730 45.100 0.161 0.000 0.546 108 G HN -0.493 7.864 8.290 0.166 0.032 0.384 109 A N 3.896 126.872 122.820 0.259 0.000 2.313 109 A HA 0.477 5.185 4.320 0.473 -0.105 0.261 109 A C -1.903 175.886 177.584 0.341 0.000 1.090 109 A CA -0.788 51.447 52.037 0.330 0.000 0.807 109 A CB 1.835 20.953 19.000 0.197 0.000 1.055 109 A HN 0.229 8.486 8.150 0.178 0.000 0.492 110 F N -5.466 114.605 119.950 0.203 0.000 2.628 110 F HA 0.567 5.171 4.527 0.129 0.000 0.309 110 F C -2.682 173.202 175.800 0.140 0.000 1.108 110 F CA -1.482 56.605 58.000 0.145 0.000 0.971 110 F CB 2.431 41.497 39.000 0.111 0.000 1.279 110 F HN 0.068 8.312 8.300 -0.094 0.000 0.441 111 I N 0.281 120.964 120.570 0.188 0.000 2.607 111 I HA 0.524 4.687 4.170 -0.183 -0.103 0.305 111 I C -1.145 175.018 176.117 0.076 0.000 0.995 111 I CA -1.269 60.031 61.300 0.000 0.000 1.148 111 I CB 3.058 41.085 38.000 0.045 0.000 1.323 111 I HN 0.138 8.555 8.210 0.346 0.000 0.461 112 R N 1.836 122.246 120.500 -0.151 0.000 2.808 112 R HA 0.732 5.259 4.340 -0.000 -0.187 0.272 112 R C -2.092 173.988 176.300 -0.367 0.000 0.995 112 R CA -1.757 54.281 56.100 -0.103 0.000 0.917 112 R CB 4.676 35.028 30.300 0.087 0.000 1.217 112 R HN 0.260 8.367 8.270 -0.272 0.000 0.471 113 L N 3.251 124.312 121.223 -0.269 0.000 2.580 113 L HA 0.344 4.570 4.340 -0.395 -0.122 0.266 113 L C -2.862 173.889 176.870 -0.198 0.000 0.955 113 L CA -0.112 54.529 54.840 -0.332 0.000 0.886 113 L CB 3.533 45.351 42.059 -0.402 0.000 1.263 113 L HN 0.147 8.300 8.230 -0.128 0.000 0.406 114 V N 4.421 124.227 119.914 -0.181 0.000 2.735 114 V HA 0.373 4.504 4.120 -0.104 -0.073 0.310 114 V C -2.652 173.376 176.094 -0.110 0.000 1.061 114 V CA -3.431 58.798 62.300 -0.117 0.000 0.913 114 V CB 4.190 35.965 31.823 -0.080 0.000 1.005 114 V HN 0.028 8.091 8.190 -0.211 0.000 0.428 115 N N 7.832 126.483 118.700 -0.080 0.000 2.402 115 N HA -0.045 4.755 4.740 -0.056 -0.094 0.259 115 N C -0.018 175.469 175.510 -0.039 0.000 1.167 115 N CA 0.145 53.164 53.050 -0.052 0.000 0.949 115 N CB -0.621 37.851 38.487 -0.026 0.000 1.212 115 N HN 0.343 8.776 8.380 -0.071 -0.095 0.493 116 D N 4.704 125.078 120.400 -0.043 0.000 2.403 116 D HA -0.209 4.410 4.640 -0.036 0.000 0.227 116 D C 0.111 176.400 176.300 -0.018 0.000 0.995 116 D CA 1.970 55.950 54.000 -0.035 0.000 0.928 116 D CB 0.373 41.148 40.800 -0.041 0.000 0.887 116 D HN -0.079 8.259 8.370 -0.052 0.000 0.529 117 D N -1.254 119.140 120.400 -0.010 0.000 2.144 117 D HA -0.067 4.648 4.640 0.002 -0.074 0.207 117 D C 0.916 177.218 176.300 0.003 0.000 0.970 117 D CA 2.211 56.212 54.000 0.003 0.000 0.853 117 D CB 0.705 41.515 40.800 0.016 0.000 1.007 117 D HN -0.442 7.812 8.370 -0.012 0.109 0.469 118 N N -3.779 114.922 118.700 0.003 0.000 2.170 118 N HA 0.135 4.877 4.740 0.003 0.000 0.222 118 N C -1.179 174.330 175.510 -0.003 0.000 1.218 118 N CA -0.199 52.853 53.050 0.003 0.000 0.889 118 N CB 0.890 39.383 38.487 0.010 0.000 1.083 118 N HN -0.554 7.827 8.380 0.002 0.000 0.520 119 Q N -3.579 116.215 119.800 -0.010 0.000 2.459 119 Q HA -0.344 4.044 4.340 -0.024 -0.063 0.322 119 Q C -0.994 174.998 176.000 -0.012 0.000 1.427 119 Q CA 1.327 57.120 55.803 -0.016 0.000 0.861 119 Q CB -3.421 25.309 28.738 -0.012 0.000 1.137 119 Q HN 0.617 8.796 8.270 -0.012 0.084 0.394 120 T N -2.345 112.201 114.554 -0.014 0.000 3.286 120 T HA -0.083 4.267 4.350 -0.001 0.000 0.237 120 T C -0.114 174.576 174.700 -0.016 0.000 0.969 120 T CA 0.578 62.674 62.100 -0.006 0.000 1.298 120 T CB 1.459 70.330 68.868 0.005 0.000 1.053 120 T HN -0.648 7.581 8.240 -0.019 0.000 0.402 121 E N 1.168 121.346 120.200 -0.036 0.000 2.485 121 E HA -0.117 4.209 4.350 -0.040 0.000 0.266 121 E C -0.632 175.940 176.600 -0.046 0.000 1.090 121 E CA 1.831 58.194 56.400 -0.063 0.000 0.987 121 E CB 0.618 30.227 29.700 -0.152 0.000 0.974 121 E HN -0.182 8.156 8.360 -0.038 0.000 0.455 122 V N -7.104 112.795 119.914 -0.025 0.000 4.752 122 V HA 0.153 4.340 4.120 -0.018 -0.078 0.321 122 V C -2.015 174.107 176.094 0.048 0.000 1.055 122 V CA -0.270 62.029 62.300 -0.001 0.000 1.683 122 V CB 0.698 32.522 31.823 0.002 0.000 0.508 122 V HN 0.131 8.310 8.190 -0.017 0.000 0.468 123 A N 4.558 127.434 122.820 0.093 0.000 2.454 123 A HA 0.587 5.003 4.320 0.160 0.000 0.302 123 A C -2.349 175.432 177.584 0.328 0.000 1.079 123 A CA -1.081 51.083 52.037 0.213 0.000 0.731 123 A CB 3.349 22.519 19.000 0.284 0.000 1.299 123 A HN -0.361 7.820 8.150 0.052 0.000 0.413 124 R N -0.879 119.837 120.500 0.360 0.000 2.651 124 R HA 0.324 5.085 4.340 0.537 -0.100 0.278 124 R C -2.359 174.235 176.300 0.490 0.000 1.010 124 R CA -1.062 55.308 56.100 0.451 0.000 0.896 124 R CB 2.455 32.934 30.300 0.297 0.000 1.211 124 R HN -0.098 8.336 8.270 0.273 0.000 0.456 125 Y N 1.221 121.791 120.300 0.450 0.000 2.320 125 Y HA 0.045 4.651 4.550 0.093 0.000 0.324 125 Y C -0.736 175.238 175.900 0.123 0.000 1.190 125 Y CA 0.011 58.224 58.100 0.189 0.000 1.215 125 Y CB 1.963 40.505 38.460 0.137 0.000 1.221 125 Y HN 0.032 8.816 8.280 0.840 0.000 0.486 126 D N 5.193 125.324 120.400 -0.448 0.000 2.411 126 D HA 0.206 4.811 4.640 -0.058 0.000 0.225 126 D C -0.017 176.152 176.300 -0.219 0.000 1.156 126 D CA 0.238 54.092 54.000 -0.244 0.000 0.874 126 D CB 0.083 40.722 40.800 -0.268 0.000 1.034 126 D HN 0.475 8.242 8.370 -1.006 0.000 0.502 127 L N 6.298 127.498 121.223 -0.039 0.000 2.127 127 L HA -0.197 4.095 4.340 -0.080 0.000 0.203 127 L C 1.481 178.350 176.870 -0.001 0.000 1.080 127 L CA 2.786 57.604 54.840 -0.036 0.000 0.768 127 L CB 0.139 42.190 42.059 -0.013 0.000 0.924 127 L HN 0.246 8.500 8.230 0.039 0.000 0.444 128 T N -0.935 113.631 114.554 0.019 0.000 2.802 128 T HA -0.445 3.927 4.350 0.035 0.000 0.269 128 T C 1.081 175.778 174.700 -0.005 0.000 1.062 128 T CA 3.750 65.862 62.100 0.020 0.000 1.133 128 T CB -0.413 68.468 68.868 0.023 0.000 0.852 128 T HN 0.264 8.525 8.240 0.035 0.000 0.485 129 E N -0.896 119.279 120.200 -0.043 0.000 2.110 129 E HA -0.066 4.265 4.350 -0.032 0.000 0.193 129 E C 0.765 177.337 176.600 -0.045 0.000 0.950 129 E CA 2.134 58.501 56.400 -0.054 0.000 0.840 129 E CB 0.227 29.869 29.700 -0.097 0.000 0.809 129 E HN -0.107 8.181 8.360 -0.068 0.032 0.465 130 D N 0.843 121.198 120.400 -0.075 0.000 2.363 130 D HA -0.038 4.602 4.640 0.001 0.000 0.226 130 D C 1.763 178.085 176.300 0.037 0.000 1.020 130 D CA 2.199 56.193 54.000 -0.009 0.000 0.892 130 D CB -0.150 40.687 40.800 0.063 0.000 0.900 130 D HN -0.253 8.031 8.370 -0.143 0.000 0.531 131 A N 1.914 124.765 122.820 0.052 0.000 1.917 131 A HA -0.314 4.198 4.320 0.321 0.000 0.219 131 A C 1.420 179.098 177.584 0.157 0.000 1.182 131 A CA 3.196 55.339 52.037 0.177 0.000 0.633 131 A CB -0.669 18.414 19.000 0.139 0.000 0.819 131 A HN 0.629 8.634 8.150 0.018 0.156 0.448 132 S N -4.840 110.906 115.700 0.075 0.000 2.603 132 S HA -0.119 4.379 4.470 0.047 0.000 0.229 132 S C 0.753 175.382 174.600 0.048 0.000 0.972 132 S CA 1.646 59.875 58.200 0.049 0.000 0.935 132 S CB -0.522 62.693 63.200 0.024 0.000 0.769 132 S HN -0.243 8.095 8.310 0.052 0.003 0.536 133 T N 1.605 116.197 114.554 0.063 0.000 2.978 133 T HA -0.111 4.256 4.350 0.027 0.000 0.262 133 T C 0.029 174.756 174.700 0.043 0.000 1.063 133 T CA 2.284 64.410 62.100 0.042 0.000 1.140 133 T CB 0.750 69.642 68.868 0.040 0.000 0.886 133 T HN 0.166 8.208 8.240 0.081 0.247 0.470 134 E N -3.169 117.090 120.200 0.099 0.000 2.011 134 E HA 0.126 4.496 4.350 0.034 0.000 0.233 134 E C -2.050 174.667 176.600 0.194 0.000 1.581 134 E CA 0.272 56.721 56.400 0.082 0.000 0.998 134 E CB 1.678 31.375 29.700 -0.005 0.000 1.568 134 E HN -0.844 7.615 8.360 0.164 0.000 0.554 135 T N -3.347 111.259 114.554 0.086 0.000 3.004 135 T HA 0.188 4.233 4.350 -0.509 0.000 0.266 135 T C -1.881 172.819 174.700 -0.001 0.000 0.986 135 T CA -0.196 61.810 62.100 -0.156 0.000 0.902 135 T CB 1.350 70.085 68.868 -0.221 0.000 1.118 135 T HN 0.154 8.406 8.240 0.019 0.000 0.522 136 A N 0.420 123.304 122.820 0.107 0.000 2.488 136 A HA 0.441 4.913 4.320 0.255 0.000 0.298 136 A C -2.771 174.489 177.584 -0.539 0.000 1.044 136 A CA -0.646 51.393 52.037 0.002 0.000 0.693 136 A CB 2.701 21.713 19.000 0.021 0.000 1.272 136 A HN -0.569 7.597 8.150 0.026 0.000 0.402 137 M N 2.692 122.020 119.600 -0.453 0.000 2.605 137 M HA 0.330 3.946 4.480 -1.440 0.000 0.281 137 M C -2.656 173.573 176.300 -0.119 0.000 1.166 137 M CA 0.095 55.006 55.300 -0.649 0.000 0.875 137 M CB 4.989 37.325 32.600 -0.440 0.000 1.732 137 M HN -0.257 7.991 8.290 -0.069 0.000 0.504 138 L N 0.424 121.689 121.223 0.069 0.000 2.312 138 L HA 0.433 4.862 4.340 0.149 0.000 0.281 138 L C -1.426 175.445 176.870 0.002 0.000 1.070 138 L CA -0.003 54.904 54.840 0.111 0.000 0.805 138 L CB 0.338 42.463 42.059 0.111 0.000 1.174 138 L HN -0.157 8.147 8.230 0.125 0.000 0.434 139 F N 4.184 124.124 119.950 -0.018 0.000 2.128 139 F HA -0.122 4.265 4.527 -0.235 0.000 0.295 139 F C -0.400 175.427 175.800 0.045 0.000 1.100 139 F CA 2.877 60.853 58.000 -0.039 0.000 1.260 139 F CB 1.451 40.507 39.000 0.093 0.000 1.009 139 F HN -0.264 8.237 8.300 0.335 0.000 0.476 140 G N -4.484 104.524 108.800 0.346 0.000 2.846 140 G HA2 0.115 4.010 3.960 -0.108 0.000 0.299 140 G HA3 0.115 4.380 3.960 0.509 0.000 0.299 140 G C -2.684 172.225 174.900 0.014 0.000 1.242 140 G CA -0.257 44.940 45.100 0.162 0.000 0.800 140 G HN -0.848 7.751 8.290 0.515 0.000 0.538 141 E N -1.798 118.242 120.200 -0.266 0.000 2.412 141 E HA 0.276 4.556 4.350 -0.117 0.000 0.279 141 E C -2.517 173.961 176.600 -0.203 0.000 0.984 141 E CA -0.900 55.375 56.400 -0.207 0.000 0.788 141 E CB 3.251 32.821 29.700 -0.216 0.000 1.277 141 E HN -0.084 7.824 8.360 -0.754 0.000 0.455 142 L N 2.484 123.702 121.223 -0.008 0.000 2.455 142 L HA 0.771 5.403 4.340 0.224 -0.158 0.264 142 L C -2.026 175.056 176.870 0.354 0.000 0.968 142 L CA -0.776 54.168 54.840 0.173 0.000 0.827 142 L CB 3.425 45.536 42.059 0.087 0.000 1.317 142 L HN 0.276 8.485 8.230 -0.035 0.000 0.407 143 Y N 0.450 120.914 120.300 0.273 0.000 2.670 143 Y HA 0.801 5.775 4.550 0.443 -0.158 0.334 143 Y C -2.926 173.141 175.900 0.279 0.000 1.185 143 Y CA -2.353 55.931 58.100 0.307 0.000 1.053 143 Y CB 3.169 41.680 38.460 0.085 0.000 1.298 143 Y HN 0.806 9.327 8.280 0.402 0.000 0.459 144 R N -0.200 120.151 120.500 -0.247 0.000 2.459 144 R HA 0.196 4.179 4.340 -0.811 -0.130 0.281 144 R C -1.462 174.569 176.300 -0.449 0.000 1.050 144 R CA -0.561 55.151 56.100 -0.648 0.000 1.055 144 R CB 1.633 31.487 30.300 -0.744 0.000 1.045 144 R HN -0.055 8.245 8.270 0.050 0.000 0.495 145 H N 5.486 124.253 119.070 -0.505 0.000 5.278 145 H HA 0.194 4.689 4.556 -0.101 0.000 0.119 145 H C -0.275 174.951 175.328 -0.171 0.000 1.321 145 H CA -0.672 55.218 56.048 -0.263 0.000 0.304 145 H CB 2.380 31.982 29.762 -0.267 0.000 1.670 145 H HN 0.734 8.688 8.280 -0.369 0.104 0.192 146 N N 2.250 120.638 118.700 -0.520 0.000 3.167 146 N HA -0.205 4.375 4.740 -0.267 0.000 0.318 146 N C 0.021 175.381 175.510 -0.250 0.000 1.268 146 N CA 0.393 53.188 53.050 -0.425 0.000 1.197 146 N CB -1.419 36.728 38.487 -0.567 0.000 1.464 146 N HN 0.190 7.991 8.380 -0.965 0.000 0.555 147 G N -1.653 107.020 108.800 -0.212 0.000 2.168 147 G HA2 -0.462 3.359 3.960 -0.231 0.000 0.263 147 G HA3 -0.462 3.397 3.960 -0.167 0.000 0.263 147 G C -1.336 173.405 174.900 -0.264 0.000 0.977 147 G CA 0.530 45.500 45.100 -0.217 0.000 0.659 147 G HN 0.422 8.520 8.290 -0.182 0.082 0.533 148 E N -1.443 118.586 120.200 -0.284 0.000 2.312 148 E HA 0.224 4.441 4.350 -0.223 0.000 0.267 148 E C -1.139 175.284 176.600 -0.294 0.000 0.894 148 E CA -2.524 53.735 56.400 -0.235 0.000 0.773 148 E CB 3.487 33.118 29.700 -0.115 0.000 1.241 148 E HN -0.465 7.733 8.360 -0.276 -0.004 0.432 149 W N 0.032 121.289 121.300 -0.072 0.000 2.184 149 W HA 0.027 4.715 4.660 -0.159 -0.124 0.338 149 W C -0.510 175.944 176.519 -0.109 0.000 1.257 149 W CA 0.344 57.630 57.345 -0.098 0.000 1.243 149 W CB 1.578 31.022 29.460 -0.026 0.000 1.122 149 W HN 0.404 8.637 8.180 0.089 0.000 0.585 150 K N 0.466 120.927 120.400 0.101 0.000 2.553 150 K HA 0.441 4.863 4.320 0.170 0.000 0.250 150 K C -1.896 174.843 176.600 0.232 0.000 0.953 150 K CA -1.097 55.231 56.287 0.068 0.000 0.800 150 K CB 3.994 36.398 32.500 -0.160 0.000 1.243 150 K HN 0.726 9.050 8.250 0.124 0.000 0.435 151 F N 6.820 126.878 119.950 0.181 0.000 2.375 151 F HA 0.436 5.239 4.527 0.233 -0.136 0.333 151 F C -0.692 175.242 175.800 0.224 0.000 1.104 151 F CA -0.231 57.897 58.000 0.213 0.000 1.149 151 F CB 2.189 41.302 39.000 0.188 0.000 1.190 151 F HN 0.074 8.623 8.300 0.415 0.000 0.533 152 R N 7.556 127.525 120.500 -0.885 0.000 2.659 152 R HA 0.189 4.416 4.340 -0.188 0.000 0.290 152 R C -2.177 173.695 176.300 -0.714 0.000 1.253 152 R CA -1.193 54.615 56.100 -0.485 0.000 1.010 152 R CB 1.952 32.163 30.300 -0.147 0.000 1.236 152 R HN 0.366 7.726 8.270 -1.518 0.000 0.413 153 A N 4.214 126.753 122.820 -0.469 0.000 2.466 153 A HA -0.125 3.990 4.320 -0.342 0.000 0.238 153 A C -0.979 176.479 177.584 -0.211 0.000 1.074 153 A CA 0.514 52.394 52.037 -0.261 0.000 0.774 153 A CB 0.550 19.542 19.000 -0.013 0.000 1.015 153 A HN 0.512 8.563 8.150 -0.166 0.000 0.498 154 V N -1.353 118.442 119.914 -0.200 0.000 3.245 154 V HA 0.029 4.073 4.120 -0.127 0.000 0.246 154 V C 0.444 176.453 176.094 -0.141 0.000 1.487 154 V CA -0.134 62.076 62.300 -0.150 0.000 1.154 154 V CB 1.708 33.445 31.823 -0.143 0.000 0.971 154 V HN 0.470 8.524 8.190 -0.226 0.000 0.443 155 G N 2.144 110.816 108.800 -0.213 0.000 2.330 155 G HA2 -0.367 3.333 3.960 -0.434 0.000 0.239 155 G HA3 -0.367 3.459 3.960 -0.223 0.000 0.239 155 G C -1.216 173.598 174.900 -0.144 0.000 0.818 155 G CA 0.754 45.695 45.100 -0.264 0.000 1.189 155 G HN -0.089 8.049 8.290 -0.254 0.000 0.337 156 Q N 4.104 123.838 119.800 -0.110 0.000 2.414 156 Q HA 0.237 4.566 4.340 -0.018 0.000 0.256 156 Q C -1.298 174.710 176.000 0.014 0.000 0.974 156 Q CA -1.180 54.620 55.803 -0.005 0.000 0.723 156 Q CB 2.742 31.516 28.738 0.061 0.000 1.281 156 Q HN -0.330 7.857 8.270 -0.137 0.000 0.470 157 G N 3.945 112.692 108.800 -0.089 0.000 2.476 157 G HA2 0.323 3.927 3.960 -0.593 0.000 0.269 157 G HA3 0.323 4.151 3.960 -0.220 0.000 0.269 157 G C -1.317 173.487 174.900 -0.160 0.000 1.195 157 G CA -0.515 44.411 45.100 -0.289 0.000 0.843 157 G HN 0.208 8.459 8.290 -0.063 0.000 0.545 158 Y N -3.153 117.144 120.300 -0.006 0.000 2.358 158 Y HA 0.201 4.737 4.550 -0.023 0.000 0.324 158 Y C -2.140 173.751 175.900 -0.015 0.000 1.123 158 Y CA -1.773 56.314 58.100 -0.022 0.000 1.067 158 Y CB 0.770 39.202 38.460 -0.047 0.000 1.230 158 Y HN -0.372 7.242 8.280 -1.110 0.000 0.429 159 A N 3.724 126.594 122.820 0.084 0.000 2.327 159 A HA 0.105 4.434 4.320 0.015 0.000 0.228 159 A C 0.385 178.005 177.584 0.060 0.000 1.275 159 A CA -0.072 51.990 52.037 0.041 0.000 0.875 159 A CB 0.180 19.186 19.000 0.011 0.000 0.925 159 A HN 0.308 8.505 8.150 0.078 0.000 0.493 160 G N -0.531 108.334 108.800 0.109 0.000 2.739 160 G HA2 -0.213 3.749 3.960 0.003 0.000 0.216 160 G HA3 -0.213 3.753 3.960 0.010 0.000 0.216 160 G C -0.528 174.382 174.900 0.018 0.000 1.298 160 G CA 0.734 45.855 45.100 0.034 0.000 0.804 160 G HN 0.050 8.353 8.290 0.200 0.107 0.623 161 G N -2.764 106.060 108.800 0.040 0.000 2.169 161 G HA2 0.094 4.051 3.960 -0.005 0.000 0.286 161 G HA3 0.094 4.036 3.960 -0.031 0.000 0.286 161 G C 0.011 174.903 174.900 -0.013 0.000 1.742 161 G CA -0.966 44.132 45.100 -0.003 0.000 0.904 161 G HN -0.730 7.619 8.290 0.098 0.000 0.735 162 L N 2.001 123.208 121.223 -0.027 0.000 2.197 162 L HA -0.403 3.942 4.340 0.008 0.000 0.215 162 L C 0.509 177.242 176.870 -0.228 0.000 1.095 162 L CA 2.734 57.522 54.840 -0.088 0.000 0.764 162 L CB -0.563 41.425 42.059 -0.118 0.000 0.897 162 L HN 0.399 8.613 8.230 -0.027 0.000 0.436 163 A N -6.490 116.222 122.820 -0.179 0.000 1.984 163 A HA -0.012 4.130 4.320 -0.296 0.000 0.214 163 A C 1.874 179.389 177.584 -0.115 0.000 1.173 163 A CA 2.149 54.073 52.037 -0.189 0.000 0.673 163 A CB -0.127 18.796 19.000 -0.129 0.000 0.830 163 A HN -0.060 7.980 8.150 -0.126 0.035 0.453 164 S N -0.078 115.572 115.700 -0.083 0.000 2.356 164 S HA -0.031 4.401 4.470 -0.062 0.000 0.219 164 S C 1.908 176.457 174.600 -0.085 0.000 1.036 164 S CA 2.789 60.946 58.200 -0.073 0.000 0.965 164 S CB -0.244 62.913 63.200 -0.072 0.000 0.864 164 S HN -0.371 7.779 8.310 -0.078 0.113 0.471 165 V N -0.042 119.818 119.914 -0.089 0.000 2.764 165 V HA -0.401 3.462 4.120 -0.429 0.000 0.261 165 V C 1.448 177.640 176.094 0.162 0.000 1.108 165 V CA 3.941 66.152 62.300 -0.149 0.000 1.129 165 V CB -1.011 30.756 31.823 -0.094 0.000 0.701 165 V HN 0.468 8.506 8.190 -0.061 0.115 0.495 166 C N -0.257 119.138 119.300 0.158 0.000 2.541 166 C HA -0.191 4.512 4.460 0.361 -0.027 0.282 166 C C 1.656 176.744 174.990 0.163 0.000 1.263 166 C CA 3.032 62.171 59.018 0.202 0.000 1.709 166 C CB 0.254 28.006 27.740 0.019 0.000 2.097 166 C HN -0.378 7.792 8.230 0.025 0.074 0.480 167 A N -1.815 121.044 122.820 0.065 0.000 2.132 167 A HA 0.124 4.665 4.320 0.083 -0.172 0.213 167 A C 0.995 178.588 177.584 0.015 0.000 1.154 167 A CA 1.333 53.401 52.037 0.052 0.000 0.753 167 A CB -0.118 18.896 19.000 0.024 0.000 0.826 167 A HN -0.390 7.775 8.150 0.024 0.000 0.469 168 Q N -0.730 119.031 119.800 -0.065 0.000 2.181 168 Q HA -0.366 3.906 4.340 -0.113 0.000 0.205 168 Q C 1.349 177.243 176.000 -0.175 0.000 0.980 168 Q CA 3.172 58.871 55.803 -0.173 0.000 0.862 168 Q CB 0.087 28.631 28.738 -0.324 0.000 0.905 168 Q HN 0.480 8.568 8.270 -0.064 0.144 0.429 169 Y N -4.567 115.745 120.300 0.021 0.000 2.509 169 Y HA -0.187 4.356 4.550 -0.011 0.000 0.293 169 Y C 1.466 177.379 175.900 0.023 0.000 1.133 169 Y CA 1.466 59.578 58.100 0.020 0.000 1.283 169 Y CB -0.167 38.335 38.460 0.070 0.000 1.001 169 Y HN -0.697 7.552 8.280 -0.030 0.014 0.555 170 G N -1.825 107.067 108.800 0.153 0.000 2.486 170 G HA2 -0.047 3.974 3.960 0.102 0.000 0.210 170 G HA3 -0.047 3.964 3.960 0.085 0.000 0.210 170 G C -0.554 174.377 174.900 0.052 0.000 1.168 170 G CA 0.096 45.254 45.100 0.096 0.000 0.820 170 G HN -0.541 7.653 8.290 0.131 0.174 0.544 171 I N 3.972 124.558 120.570 0.028 0.000 2.453 171 I HA -0.312 3.865 4.170 0.013 0.000 0.300 171 I C -1.279 174.838 176.117 -0.000 0.000 1.159 171 I CA 0.363 61.668 61.300 0.008 0.000 1.379 171 I CB -1.281 36.715 38.000 -0.007 0.000 1.460 171 I HN -0.001 8.224 8.210 0.025 0.000 0.601 172 N N 6.520 125.225 118.700 0.009 0.000 2.420 172 N HA -0.015 4.726 4.740 0.002 0.000 0.262 172 N C -0.324 175.183 175.510 -0.005 0.000 1.144 172 N CA -0.237 52.816 53.050 0.005 0.000 0.952 172 N CB 0.488 38.983 38.487 0.014 0.000 1.081 172 N HN -0.381 8.009 8.380 0.016 0.000 0.480 173 A N 4.587 127.399 122.820 -0.014 0.000 2.350 173 A HA 0.182 4.494 4.320 -0.012 0.000 0.293 173 A C 0.266 177.844 177.584 -0.010 0.000 1.231 173 A CA -0.422 51.607 52.037 -0.015 0.000 0.883 173 A CB -0.011 18.975 19.000 -0.022 0.000 1.133 173 A HN 0.349 8.487 8.150 -0.020 0.000 0.533 174 S N 0.000 115.696 115.700 -0.007 0.000 2.498 174 S HA 0.000 4.467 4.470 -0.004 0.000 0.327 174 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 174 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 174 S HN 0.000 8.306 8.310 -0.006 0.000 0.517