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 1s7y_1_B DATA FIRST_RESID 3 DATA SEQUENCE NRSLIVTTIL EEPYVLFKKS DKPLYGNDRF EGYCIDLLRE LSTILGFTYE DATA SEQUENCE IRLVEDGKYG AQDDVNGQWN GMVRELIDHK ADLAVAPLAI TYVREKVIDF DATA SEQUENCE SKPFMTLGIS ILYRKGTPID SADDLAKQTK IEYGAVEDGA TMTFFKKSKI DATA SEQUENCE STYDKMWAFM SSRRQSVLVK SNEEGIQRVL TSDYAFLMES TTIEFVTQRN DATA SEQUENCE CNLTQIGGLI DSKGYGVGTP MGSPYRDKIT IAILQLQEEG KLHMMKEKWW DATA SEQUENCE R 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 3 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 3 N C 0.000 175.545 175.510 0.059 0.000 1.280 3 N CA 0.000 53.085 53.050 0.058 0.000 0.885 3 N CB 0.000 38.536 38.487 0.082 0.000 1.341 4 R N 0.009 120.538 120.500 0.048 0.000 2.738 4 R HA 0.433 4.778 4.340 0.009 0.000 0.268 4 R C 0.589 176.920 176.300 0.052 0.000 1.062 4 R CA -0.405 55.718 56.100 0.039 0.000 1.158 4 R CB 0.292 30.607 30.300 0.026 0.000 1.046 4 R HN 0.447 8.717 8.270 -0.000 0.000 0.493 5 S N 2.492 118.219 115.700 0.045 0.000 2.585 5 S HA 0.192 4.667 4.470 0.009 0.000 0.273 5 S C 0.472 175.089 174.600 0.029 0.000 1.339 5 S CA -0.891 57.347 58.200 0.064 0.000 1.028 5 S CB 0.525 63.752 63.200 0.045 0.000 0.906 5 S HN 0.470 8.780 8.310 -0.000 0.000 0.528 6 L N 1.908 123.138 121.223 0.013 0.000 2.395 6 L HA 0.382 4.727 4.340 0.009 0.000 0.269 6 L C -0.004 176.834 176.870 -0.053 0.000 1.133 6 L CA -0.884 53.880 54.840 -0.126 0.000 0.812 6 L CB 0.342 42.147 42.059 -0.424 0.000 1.125 6 L HN 0.565 8.795 8.230 -0.000 0.000 0.452 7 I N 3.239 123.752 120.570 -0.095 0.000 2.304 7 I HA 0.235 4.411 4.170 0.009 0.000 0.291 7 I C -0.062 175.987 176.117 -0.112 0.000 1.018 7 I CA -0.333 60.930 61.300 -0.062 0.000 1.260 7 I CB 1.436 39.403 38.000 -0.055 0.000 1.390 7 I HN 0.175 8.385 8.210 -0.000 0.000 0.475 8 V N 5.671 125.531 119.914 -0.089 0.000 2.357 8 V HA 0.277 4.402 4.120 0.009 0.000 0.284 8 V C 0.519 176.524 176.094 -0.148 0.000 1.018 8 V CA -0.538 61.673 62.300 -0.148 0.000 0.841 8 V CB 1.631 33.353 31.823 -0.168 0.000 0.991 8 V HN 0.810 9.000 8.190 -0.000 0.000 0.437 9 T N 3.751 118.215 114.554 -0.151 0.000 2.909 9 T HA 0.594 4.950 4.350 0.009 0.000 0.289 9 T C -0.091 174.501 174.700 -0.180 0.000 1.005 9 T CA 0.258 62.269 62.100 -0.149 0.000 1.084 9 T CB 1.343 70.139 68.868 -0.120 0.000 0.975 9 T HN 0.935 9.175 8.240 -0.000 0.000 0.509 10 T N 2.926 117.356 114.554 -0.207 0.000 2.645 10 T HA 0.677 5.033 4.350 0.009 0.000 0.300 10 T C -1.829 172.722 174.700 -0.248 0.000 1.210 10 T CA -0.652 61.307 62.100 -0.233 0.000 1.034 10 T CB 1.003 69.704 68.868 -0.278 0.000 1.537 10 T HN 0.674 8.914 8.240 -0.000 0.000 0.492 11 I N 1.143 121.551 120.570 -0.270 0.000 2.802 11 I HA 0.527 4.702 4.170 0.009 0.000 0.298 11 I C -1.254 174.732 176.117 -0.219 0.000 1.176 11 I CA -1.273 59.859 61.300 -0.279 0.000 1.025 11 I CB 1.830 39.546 38.000 -0.473 0.000 1.243 11 I HN 0.607 8.817 8.210 -0.000 0.000 0.424 12 L N 5.569 126.686 121.223 -0.176 0.000 2.433 12 L HA 0.314 4.660 4.340 0.009 0.000 0.275 12 L C -0.628 176.206 176.870 -0.060 0.000 1.128 12 L CA 0.477 55.227 54.840 -0.151 0.000 0.875 12 L CB 0.135 42.105 42.059 -0.148 0.000 1.171 12 L HN 0.460 8.690 8.230 -0.000 0.000 0.463 13 E N 3.056 123.236 120.200 -0.033 0.000 2.428 13 E HA 0.118 4.473 4.350 0.009 0.000 0.307 13 E C -1.002 175.624 176.600 0.044 0.000 0.902 13 E CA -0.483 55.957 56.400 0.066 0.000 0.799 13 E CB 1.116 30.898 29.700 0.136 0.000 1.351 13 E HN 0.495 8.855 8.360 -0.000 0.000 0.392 14 E N 5.313 125.475 120.200 -0.063 0.000 2.354 14 E HA 0.253 4.609 4.350 0.009 0.000 0.269 14 E C -1.689 174.486 176.600 -0.709 0.000 1.036 14 E CA -1.664 54.546 56.400 -0.317 0.000 0.876 14 E CB 0.862 30.436 29.700 -0.210 0.000 1.009 14 E HN 0.295 8.655 8.360 -0.000 0.000 0.416 15 P HA 0.065 4.485 4.420 -0.000 0.000 0.266 15 P C -0.365 176.453 177.300 -0.802 0.000 1.561 15 P CA 0.059 62.549 63.100 -1.016 0.000 1.089 15 P CB -0.027 30.898 31.700 -1.292 0.000 1.534 16 Y N -0.385 119.660 120.300 -0.425 0.000 2.314 16 Y HA 0.106 4.662 4.550 0.011 0.000 0.294 16 Y C 1.319 177.020 175.900 -0.331 0.000 1.119 16 Y CA 0.534 58.470 58.100 -0.274 0.000 1.179 16 Y CB -0.018 38.375 38.460 -0.110 0.000 1.025 16 Y HN -0.258 8.022 8.280 -0.000 0.000 0.541 17 V N 1.934 121.778 119.914 -0.118 0.000 2.711 17 V HA 0.473 4.599 4.120 0.009 0.000 0.304 17 V C -0.923 175.073 176.094 -0.163 0.000 1.097 17 V CA -1.051 61.152 62.300 -0.162 0.000 0.906 17 V CB 2.103 33.831 31.823 -0.158 0.000 1.015 17 V HN 0.149 8.339 8.190 -0.000 0.000 0.427 18 L N 0.612 121.753 121.223 -0.138 0.000 2.568 18 L HA 0.756 5.101 4.340 0.009 0.000 0.257 18 L C -1.203 175.620 176.870 -0.078 0.000 1.024 18 L CA -0.906 53.852 54.840 -0.137 0.000 0.854 18 L CB 1.960 43.990 42.059 -0.048 0.000 1.460 18 L HN 0.379 8.609 8.230 -0.000 0.000 0.409 19 F N 1.155 121.126 119.950 0.034 0.000 2.456 19 F HA 0.338 4.869 4.527 0.008 0.000 0.358 19 F C 0.877 176.642 175.800 -0.059 0.000 1.095 19 F CA -0.110 57.834 58.000 -0.092 0.000 1.216 19 F CB 0.961 39.891 39.000 -0.117 0.000 1.125 19 F HN 0.480 8.780 8.300 -0.000 0.000 0.549 20 K N 4.328 124.787 120.400 0.098 0.000 2.298 20 K HA 0.205 4.530 4.320 0.009 0.000 0.280 20 K C -0.583 176.039 176.600 0.037 0.000 1.032 20 K CA -0.485 55.848 56.287 0.075 0.000 0.958 20 K CB 0.620 33.153 32.500 0.056 0.000 0.978 20 K HN 0.577 8.827 8.250 -0.000 0.000 0.472 21 K N 1.613 122.039 120.400 0.044 0.000 2.110 21 K HA 0.300 4.625 4.320 0.009 0.000 0.263 21 K C -0.801 175.797 176.600 -0.003 0.000 0.975 21 K CA -0.600 55.694 56.287 0.012 0.000 0.895 21 K CB 1.816 34.332 32.500 0.027 0.000 1.060 21 K HN 0.500 8.750 8.250 -0.000 0.000 0.448 22 S N 0.434 116.118 115.700 -0.027 0.000 2.565 22 S HA 0.042 4.518 4.470 0.009 0.000 0.274 22 S C -0.421 174.156 174.600 -0.039 0.000 1.144 22 S CA -0.747 57.435 58.200 -0.029 0.000 0.849 22 S CB 0.939 64.115 63.200 -0.041 0.000 1.103 22 S HN 0.813 9.123 8.310 -0.000 0.000 0.455 23 D N 1.595 121.979 120.400 -0.028 0.000 2.317 23 D HA 0.042 4.687 4.640 0.009 0.000 0.211 23 D C -0.013 176.266 176.300 -0.034 0.000 0.966 23 D CA 0.517 54.501 54.000 -0.027 0.000 0.876 23 D CB 0.176 40.967 40.800 -0.016 0.000 0.927 23 D HN 0.161 8.531 8.370 -0.000 0.000 0.519 24 K N 1.082 121.457 120.400 -0.040 0.000 2.208 24 K HA 0.472 4.798 4.320 0.009 0.000 0.247 24 K C -2.609 173.931 176.600 -0.100 0.000 0.953 24 K CA -2.382 53.877 56.287 -0.046 0.000 0.837 24 K CB 1.186 33.675 32.500 -0.019 0.000 1.131 24 K HN -0.121 8.129 8.250 -0.000 0.000 0.431 25 P HA 0.111 4.531 4.420 -0.000 0.000 0.265 25 P C -0.564 176.433 177.300 -0.505 0.000 1.193 25 P CA 0.192 63.103 63.100 -0.315 0.000 0.765 25 P CB 0.410 31.950 31.700 -0.266 0.000 0.823 26 L N 3.760 124.631 121.223 -0.588 0.000 2.334 26 L HA 0.532 4.877 4.340 0.009 0.000 0.273 26 L C -0.379 176.065 176.870 -0.710 0.000 1.013 26 L CA -0.766 53.786 54.840 -0.480 0.000 0.816 26 L CB 1.008 42.923 42.059 -0.241 0.000 1.278 26 L HN 0.391 8.621 8.230 -0.000 0.000 0.431 27 Y N -0.218 120.075 120.300 -0.012 0.000 2.576 27 Y HA 0.635 5.191 4.550 0.009 0.000 0.346 27 Y C 0.890 176.800 175.900 0.016 0.000 1.018 27 Y CA -0.089 58.008 58.100 -0.004 0.000 1.050 27 Y CB 1.873 40.331 38.460 -0.004 0.000 1.280 27 Y HN 0.786 9.066 8.280 -0.000 0.000 0.474 28 G N 1.649 110.571 108.800 0.204 0.000 2.614 28 G HA2 -0.395 3.570 3.960 0.009 0.000 0.303 28 G HA3 -0.395 3.570 3.960 0.009 0.000 0.303 28 G C 0.725 175.730 174.900 0.175 0.000 1.270 28 G CA 0.706 45.894 45.100 0.146 0.000 0.988 28 G HN 0.725 9.015 8.290 -0.000 0.000 0.551 29 N N 1.639 120.418 118.700 0.132 0.000 2.453 29 N HA -0.031 4.715 4.740 0.009 0.000 0.183 29 N C 1.434 177.081 175.510 0.227 0.000 1.041 29 N CA 1.376 54.550 53.050 0.206 0.000 0.900 29 N CB -0.240 38.287 38.487 0.067 0.000 0.961 29 N HN 0.549 8.929 8.380 -0.000 0.000 0.443 30 D N 0.560 121.043 120.400 0.139 0.000 2.371 30 D HA -0.024 4.621 4.640 0.009 0.000 0.221 30 D C 1.485 177.815 176.300 0.050 0.000 0.986 30 D CA 0.297 54.357 54.000 0.100 0.000 0.899 30 D CB 0.082 40.923 40.800 0.069 0.000 0.902 30 D HN 0.337 8.707 8.370 -0.000 0.000 0.530 31 R N -0.489 120.013 120.500 0.003 0.000 2.235 31 R HA 0.054 4.400 4.340 0.009 0.000 0.213 31 R C 0.258 176.358 176.300 -0.335 0.000 1.059 31 R CA 0.461 56.430 56.100 -0.218 0.000 0.997 31 R CB 0.180 30.257 30.300 -0.373 0.000 0.884 31 R HN 0.074 8.344 8.270 -0.000 0.000 0.462 32 F N 0.210 120.213 119.950 0.089 0.000 2.556 32 F HA 0.335 4.867 4.527 0.009 0.000 0.327 32 F C 0.235 176.049 175.800 0.024 0.000 1.059 32 F CA -1.118 56.906 58.000 0.040 0.000 0.953 32 F CB 1.568 40.562 39.000 -0.010 0.000 1.227 32 F HN -0.084 8.216 8.300 -0.000 0.000 0.478 33 E N -0.004 120.295 120.200 0.165 0.000 2.445 33 E HA 0.793 5.149 4.350 0.009 0.000 0.279 33 E C -0.817 175.627 176.600 -0.259 0.000 1.018 33 E CA -1.298 55.137 56.400 0.059 0.000 0.816 33 E CB 2.314 32.140 29.700 0.209 0.000 1.356 33 E HN 1.017 9.377 8.360 -0.000 0.000 0.462 34 G N -0.359 107.973 108.800 -0.780 0.000 2.340 34 G HA2 -0.160 3.805 3.960 0.009 0.000 0.527 34 G HA3 -0.160 3.805 3.960 0.009 0.000 0.527 34 G C -0.492 173.540 174.900 -1.447 0.000 1.381 34 G CA -0.306 43.810 45.100 -1.641 0.000 1.001 34 G HN 0.712 9.002 8.290 -0.000 0.000 0.626 35 Y N -0.153 119.172 120.300 -1.625 0.000 2.114 35 Y HA -0.190 4.365 4.550 0.008 0.000 0.282 35 Y C 3.023 178.739 175.900 -0.307 0.000 1.165 35 Y CA 3.222 60.901 58.100 -0.703 0.000 1.148 35 Y CB -0.308 38.060 38.460 -0.153 0.000 0.972 35 Y HN 0.593 8.873 8.280 -0.000 0.000 0.504 36 C N -0.019 119.264 119.300 -0.028 0.000 2.446 36 C HA -0.104 4.361 4.460 0.009 0.000 0.279 36 C C 2.608 177.459 174.990 -0.232 0.000 1.366 36 C CA 0.413 59.361 59.018 -0.117 0.000 1.763 36 C CB -1.282 26.443 27.740 -0.026 0.000 1.929 36 C HN 0.606 8.836 8.230 -0.000 0.000 0.509 37 I N 1.099 121.531 120.570 -0.230 0.000 2.353 37 I HA -0.094 4.082 4.170 0.009 0.000 0.248 37 I C 2.076 178.119 176.117 -0.123 0.000 1.119 37 I CA 1.620 62.827 61.300 -0.154 0.000 1.417 37 I CB -1.385 36.564 38.000 -0.085 0.000 1.078 37 I HN 0.306 8.516 8.210 -0.000 0.000 0.421 38 D N 0.767 121.078 120.400 -0.148 0.000 2.117 38 D HA -0.148 4.497 4.640 0.009 0.000 0.198 38 D C 2.178 178.372 176.300 -0.178 0.000 0.982 38 D CA 0.837 54.790 54.000 -0.078 0.000 0.828 38 D CB -0.252 40.559 40.800 0.019 0.000 0.967 38 D HN 0.159 8.529 8.370 -0.000 0.000 0.464 39 L N 0.728 121.754 121.223 -0.328 0.000 2.012 39 L HA -0.130 4.215 4.340 0.009 0.000 0.210 39 L C 2.103 178.819 176.870 -0.257 0.000 1.073 39 L CA 1.386 56.013 54.840 -0.356 0.000 0.748 39 L CB -0.820 40.913 42.059 -0.544 0.000 0.891 39 L HN 0.036 8.266 8.230 -0.000 0.000 0.431 40 L N -0.125 120.938 121.223 -0.267 0.000 2.042 40 L HA -0.217 4.129 4.340 0.009 0.000 0.210 40 L C 2.724 179.409 176.870 -0.307 0.000 1.076 40 L CA 2.083 56.738 54.840 -0.307 0.000 0.749 40 L CB -0.829 40.991 42.059 -0.398 0.000 0.893 40 L HN 0.401 8.631 8.230 -0.000 0.000 0.432 41 R N -0.716 119.686 120.500 -0.164 0.000 2.073 41 R HA -0.159 4.187 4.340 0.009 0.000 0.234 41 R C 2.137 178.381 176.300 -0.094 0.000 1.134 41 R CA 1.594 57.675 56.100 -0.033 0.000 0.952 41 R CB -0.173 30.154 30.300 0.046 0.000 0.850 41 R HN 0.445 8.715 8.270 -0.000 0.000 0.433 42 E N 0.754 120.891 120.200 -0.105 0.000 2.077 42 E HA -0.207 4.149 4.350 0.009 0.000 0.193 42 E C 2.145 178.671 176.600 -0.123 0.000 0.989 42 E CA 1.141 57.484 56.400 -0.095 0.000 0.800 42 E CB -0.215 29.434 29.700 -0.085 0.000 0.746 42 E HN 0.431 8.791 8.360 -0.000 0.000 0.452 43 L N 1.310 122.451 121.223 -0.137 0.000 2.017 43 L HA -0.202 4.143 4.340 0.009 0.000 0.208 43 L C 2.779 179.438 176.870 -0.352 0.000 1.073 43 L CA 1.621 56.404 54.840 -0.096 0.000 0.745 43 L CB -0.769 41.314 42.059 0.040 0.000 0.894 43 L HN 0.163 8.393 8.230 -0.000 0.000 0.432 44 S N -0.801 114.486 115.700 -0.688 0.000 2.383 44 S HA -0.205 4.271 4.470 0.009 0.000 0.229 44 S C 1.989 176.209 174.600 -0.633 0.000 1.030 44 S CA 1.691 59.093 58.200 -1.329 0.000 1.002 44 S CB -0.922 61.885 63.200 -0.655 0.000 0.829 44 S HN 0.610 8.920 8.310 -0.000 0.000 0.467 45 T N -0.061 114.313 114.554 -0.301 0.000 2.978 45 T HA 0.256 4.611 4.350 0.009 0.000 0.262 45 T C 1.864 176.495 174.700 -0.115 0.000 1.063 45 T CA 0.645 62.648 62.100 -0.161 0.000 1.140 45 T CB -0.659 68.156 68.868 -0.087 0.000 0.886 45 T HN 0.423 8.663 8.240 -0.000 0.000 0.470 46 I N 0.740 121.247 120.570 -0.106 0.000 2.315 46 I HA 0.034 4.209 4.170 0.009 0.000 0.248 46 I C 2.142 178.251 176.117 -0.014 0.000 1.117 46 I CA 1.208 62.482 61.300 -0.043 0.000 1.404 46 I CB -0.153 37.836 38.000 -0.019 0.000 1.071 46 I HN 0.211 8.421 8.210 -0.000 0.000 0.419 47 L N 0.011 121.222 121.223 -0.020 0.000 2.554 47 L HA 0.289 4.634 4.340 0.009 0.000 0.225 47 L C 1.017 177.955 176.870 0.114 0.000 1.104 47 L CA 0.231 55.134 54.840 0.105 0.000 0.866 47 L CB -0.108 42.131 42.059 0.301 0.000 1.047 47 L HN 0.402 8.632 8.230 -0.000 0.000 0.468 48 G N 1.713 110.493 108.800 -0.034 0.000 2.368 48 G HA2 -0.282 3.684 3.960 0.009 0.000 0.290 48 G HA3 -0.282 3.684 3.960 0.009 0.000 0.290 48 G C -0.362 174.612 174.900 0.124 0.000 1.098 48 G CA 0.217 45.321 45.100 0.007 0.000 1.073 48 G HN 0.317 8.607 8.290 -0.000 0.000 0.511 49 F N -0.993 119.016 119.950 0.098 0.000 2.626 49 F HA 0.909 5.443 4.527 0.011 0.000 0.311 49 F C 0.045 175.924 175.800 0.131 0.000 1.088 49 F CA -1.133 56.929 58.000 0.104 0.000 0.949 49 F CB 0.962 40.016 39.000 0.089 0.000 1.322 49 F HN 0.464 8.764 8.300 -0.000 0.000 0.461 50 T N -0.220 114.579 114.554 0.408 0.000 2.952 50 T HA 0.823 5.179 4.350 0.009 0.000 0.286 50 T C -1.185 173.760 174.700 0.410 0.000 1.024 50 T CA -0.504 61.742 62.100 0.243 0.000 1.029 50 T CB 1.884 70.791 68.868 0.065 0.000 1.094 50 T HN 1.197 9.437 8.240 -0.000 0.000 0.515 51 Y N -2.214 118.181 120.300 0.159 0.000 2.689 51 Y HA 0.770 5.325 4.550 0.008 0.000 0.333 51 Y C -1.391 174.541 175.900 0.053 0.000 1.208 51 Y CA -1.324 56.839 58.100 0.105 0.000 1.055 51 Y CB 1.124 39.684 38.460 0.167 0.000 1.304 51 Y HN 0.726 9.006 8.280 -0.000 0.000 0.455 52 E N 1.817 122.118 120.200 0.168 0.000 2.272 52 E HA 0.542 4.897 4.350 0.009 0.000 0.269 52 E C -1.350 175.328 176.600 0.130 0.000 0.877 52 E CA -0.911 55.547 56.400 0.096 0.000 0.755 52 E CB 3.065 32.795 29.700 0.049 0.000 1.192 52 E HN 0.585 8.945 8.360 -0.000 0.000 0.422 53 I N 2.672 123.296 120.570 0.090 0.000 2.365 53 I HA 0.311 4.486 4.170 0.009 0.000 0.291 53 I C 0.231 176.280 176.117 -0.112 0.000 1.004 53 I CA -0.307 60.934 61.300 -0.100 0.000 1.311 53 I CB 0.817 38.586 38.000 -0.385 0.000 1.401 53 I HN 0.256 8.466 8.210 -0.000 0.000 0.491 54 R N 7.152 127.561 120.500 -0.151 0.000 2.621 54 R HA 0.587 4.933 4.340 0.009 0.000 0.292 54 R C -1.774 174.449 176.300 -0.128 0.000 0.969 54 R CA -0.731 55.321 56.100 -0.079 0.000 0.887 54 R CB 1.524 31.795 30.300 -0.049 0.000 1.180 54 R HN 0.619 8.889 8.270 -0.000 0.000 0.450 55 L N 4.382 125.576 121.223 -0.049 0.000 2.276 55 L HA 0.273 4.618 4.340 0.009 0.000 0.286 55 L C 0.573 177.414 176.870 -0.048 0.000 1.061 55 L CA -0.921 53.883 54.840 -0.060 0.000 0.807 55 L CB 1.676 43.762 42.059 0.045 0.000 1.177 55 L HN 0.475 8.705 8.230 -0.000 0.000 0.429 56 V N 5.294 125.154 119.914 -0.089 0.000 2.583 56 V HA -0.119 4.006 4.120 0.009 0.000 0.302 56 V C 1.469 177.545 176.094 -0.031 0.000 1.033 56 V CA 0.509 62.766 62.300 -0.071 0.000 1.194 56 V CB 0.279 32.036 31.823 -0.110 0.000 0.879 56 V HN 0.880 9.070 8.190 -0.000 0.000 0.482 57 E N 3.967 124.161 120.200 -0.009 0.000 2.153 57 E HA -0.185 4.171 4.350 0.009 0.000 0.194 57 E C 1.156 177.766 176.600 0.016 0.000 0.988 57 E CA 1.546 57.953 56.400 0.011 0.000 0.811 57 E CB -0.012 29.697 29.700 0.016 0.000 0.746 57 E HN 1.058 9.418 8.360 -0.000 0.000 0.466 58 D N -0.565 119.842 120.400 0.013 0.000 2.328 58 D HA 0.042 4.687 4.640 0.009 0.000 0.221 58 D C 1.198 177.511 176.300 0.021 0.000 1.072 58 D CA 0.575 54.589 54.000 0.024 0.000 0.850 58 D CB 0.035 40.855 40.800 0.034 0.000 0.922 58 D HN 0.165 8.535 8.370 -0.000 0.000 0.516 59 G N 0.329 109.128 108.800 -0.001 0.000 2.187 59 G HA2 -0.343 3.623 3.960 0.009 0.000 0.261 59 G HA3 -0.343 3.623 3.960 0.009 0.000 0.261 59 G C 0.074 174.960 174.900 -0.024 0.000 1.000 59 G CA 0.659 45.750 45.100 -0.015 0.000 0.718 59 G HN 0.515 8.805 8.290 -0.000 0.000 0.519 60 K N -1.778 118.610 120.400 -0.019 0.000 2.221 60 K HA 0.630 4.955 4.320 0.009 0.000 0.243 60 K C 0.594 177.175 176.600 -0.032 0.000 0.968 60 K CA -1.091 55.216 56.287 0.033 0.000 0.846 60 K CB 1.187 33.749 32.500 0.103 0.000 1.141 60 K HN -0.006 8.244 8.250 -0.000 0.000 0.434 61 Y N 0.454 120.798 120.300 0.072 0.000 2.153 61 Y HA 0.112 4.666 4.550 0.007 0.000 0.289 61 Y C 1.090 177.061 175.900 0.120 0.000 1.119 61 Y CA 1.120 59.263 58.100 0.071 0.000 1.116 61 Y CB 0.520 39.023 38.460 0.072 0.000 1.004 61 Y HN 0.783 9.063 8.280 -0.000 0.000 0.501 62 G N -0.751 108.256 108.800 0.345 0.000 2.196 62 G HA2 0.493 4.459 3.960 0.009 0.000 0.215 62 G HA3 0.493 4.459 3.960 0.009 0.000 0.215 62 G C -1.751 173.422 174.900 0.455 0.000 1.640 62 G CA -0.442 44.891 45.100 0.388 0.000 0.946 62 G HN 0.459 8.749 8.290 -0.000 0.000 0.710 63 A N 1.819 124.822 122.820 0.304 0.000 2.609 63 A HA 0.901 5.226 4.320 0.009 0.000 0.291 63 A C -0.465 176.798 177.584 -0.535 0.000 1.096 63 A CA -0.583 51.409 52.037 -0.074 0.000 0.684 63 A CB 1.910 20.896 19.000 -0.024 0.000 1.282 63 A HN 1.104 9.254 8.150 -0.000 0.000 0.412 64 Q N 0.963 120.175 119.800 -0.980 0.000 2.256 64 Q HA 0.240 4.585 4.340 0.009 0.000 0.254 64 Q C -0.651 175.093 176.000 -0.427 0.000 0.916 64 Q CA -0.476 54.725 55.803 -1.003 0.000 0.932 64 Q CB 0.861 28.896 28.738 -1.172 0.000 1.207 64 Q HN 0.759 9.029 8.270 -0.000 0.000 0.426 65 D N 3.005 123.234 120.400 -0.285 0.000 2.458 65 D HA -0.082 4.563 4.640 0.009 0.000 0.243 65 D C -0.077 176.158 176.300 -0.109 0.000 1.146 65 D CA -0.007 53.912 54.000 -0.135 0.000 0.877 65 D CB 1.003 41.755 40.800 -0.079 0.000 1.176 65 D HN 0.649 9.019 8.370 -0.000 0.000 0.461 66 D N 3.042 123.408 120.400 -0.057 0.000 2.178 66 D HA -0.125 4.520 4.640 0.009 0.000 0.201 66 D C 1.911 178.198 176.300 -0.022 0.000 0.980 66 D CA 0.825 54.807 54.000 -0.028 0.000 0.842 66 D CB 0.377 41.188 40.800 0.018 0.000 0.948 66 D HN 0.250 8.620 8.370 -0.000 0.000 0.472 67 V N 1.905 121.808 119.914 -0.018 0.000 2.278 67 V HA -0.177 3.948 4.120 0.009 0.000 0.238 67 V C 1.627 177.711 176.094 -0.017 0.000 1.039 67 V CA 1.886 64.179 62.300 -0.011 0.000 1.017 67 V CB -0.506 31.314 31.823 -0.005 0.000 0.657 67 V HN 0.208 8.398 8.190 -0.000 0.000 0.462 68 N N 0.402 119.089 118.700 -0.021 0.000 2.280 68 N HA 0.208 4.953 4.740 0.009 0.000 0.192 68 N C 1.278 176.770 175.510 -0.030 0.000 1.109 68 N CA 0.773 53.812 53.050 -0.018 0.000 0.855 68 N CB 0.354 38.837 38.487 -0.007 0.000 0.974 68 N HN 0.492 8.872 8.380 -0.000 0.000 0.482 69 G N -0.627 108.135 108.800 -0.064 0.000 2.180 69 G HA2 -0.328 3.638 3.960 0.009 0.000 0.263 69 G HA3 -0.328 3.638 3.960 0.009 0.000 0.263 69 G C -0.310 174.518 174.900 -0.120 0.000 0.989 69 G CA 0.354 45.391 45.100 -0.106 0.000 0.692 69 G HN 0.403 8.693 8.290 -0.000 0.000 0.526 70 Q N -1.031 118.725 119.800 -0.073 0.000 2.299 70 Q HA 0.454 4.800 4.340 0.009 0.000 0.246 70 Q C 0.310 176.279 176.000 -0.052 0.000 0.935 70 Q CA -0.302 55.503 55.803 0.002 0.000 0.887 70 Q CB 0.755 29.515 28.738 0.035 0.000 1.223 70 Q HN 0.443 8.713 8.270 -0.000 0.000 0.439 71 W N 1.896 123.203 121.300 0.012 0.000 2.253 71 W HA 0.184 4.849 4.660 0.009 0.000 0.348 71 W C 0.719 177.251 176.519 0.020 0.000 1.229 71 W CA 0.003 57.359 57.345 0.019 0.000 1.335 71 W CB 0.557 30.025 29.460 0.013 0.000 1.165 71 W HN 0.682 8.862 8.180 -0.000 0.000 0.631 72 N N -0.115 118.766 118.700 0.302 0.000 3.167 72 N HA 0.763 5.508 4.740 0.009 0.000 0.323 72 N C 0.327 175.952 175.510 0.193 0.000 1.478 72 N CA -0.137 53.025 53.050 0.187 0.000 0.753 72 N CB 0.111 38.668 38.487 0.117 0.000 1.721 72 N HN 0.740 9.120 8.380 -0.000 0.000 0.618 73 G N -0.366 108.505 108.800 0.119 0.000 2.575 73 G HA2 -0.323 3.642 3.960 0.009 0.000 0.267 73 G HA3 -0.323 3.642 3.960 0.009 0.000 0.267 73 G C 0.651 175.575 174.900 0.040 0.000 1.264 73 G CA 0.608 45.756 45.100 0.079 0.000 0.935 73 G HN 0.676 8.966 8.290 -0.000 0.000 0.568 74 M N -0.509 119.092 119.600 0.002 0.000 2.159 74 M HA -0.087 4.398 4.480 0.009 0.000 0.263 74 M C 2.807 179.083 176.300 -0.040 0.000 1.063 74 M CA 1.915 57.191 55.300 -0.041 0.000 1.110 74 M CB -0.519 32.036 32.600 -0.075 0.000 1.374 74 M HN 0.377 8.667 8.290 -0.000 0.000 0.411 75 V N 0.266 120.175 119.914 -0.007 0.000 2.287 75 V HA -0.287 3.838 4.120 0.009 0.000 0.248 75 V C 2.430 178.470 176.094 -0.091 0.000 1.053 75 V CA 2.071 64.308 62.300 -0.105 0.000 1.027 75 V CB -0.772 30.981 31.823 -0.116 0.000 0.646 75 V HN 0.422 8.612 8.190 -0.000 0.000 0.447 76 R N 0.534 121.057 120.500 0.039 0.000 2.092 76 R HA -0.111 4.234 4.340 0.009 0.000 0.231 76 R C 2.103 178.411 176.300 0.013 0.000 1.119 76 R CA 1.553 57.689 56.100 0.060 0.000 0.970 76 R CB -0.511 29.867 30.300 0.129 0.000 0.864 76 R HN 0.629 8.899 8.270 -0.000 0.000 0.440 77 E N -0.027 120.172 120.200 -0.002 0.000 2.153 77 E HA -0.165 4.191 4.350 0.009 0.000 0.194 77 E C 1.908 178.496 176.600 -0.019 0.000 0.988 77 E CA 1.271 57.664 56.400 -0.012 0.000 0.811 77 E CB -0.104 29.579 29.700 -0.028 0.000 0.746 77 E HN 0.343 8.703 8.360 -0.000 0.000 0.466 78 L N 0.602 121.792 121.223 -0.055 0.000 2.027 78 L HA -0.158 4.187 4.340 0.009 0.000 0.206 78 L C 2.493 179.374 176.870 0.019 0.000 1.074 78 L CA 0.852 55.654 54.840 -0.064 0.000 0.745 78 L CB -0.342 41.627 42.059 -0.151 0.000 0.898 78 L HN 0.132 8.362 8.230 -0.000 0.000 0.433 79 I N 0.137 120.686 120.570 -0.035 0.000 2.194 79 I HA -0.322 3.853 4.170 0.009 0.000 0.246 79 I C 1.414 177.523 176.117 -0.012 0.000 1.093 79 I CA 1.360 62.641 61.300 -0.033 0.000 1.355 79 I CB -0.327 37.629 38.000 -0.073 0.000 1.046 79 I HN 0.297 8.507 8.210 -0.000 0.000 0.413 80 D N -0.476 119.928 120.400 0.006 0.000 2.328 80 D HA -0.006 4.640 4.640 0.009 0.000 0.226 80 D C 0.189 176.533 176.300 0.072 0.000 1.066 80 D CA 0.296 54.287 54.000 -0.014 0.000 0.861 80 D CB -0.346 40.456 40.800 0.002 0.000 0.912 80 D HN 0.442 8.812 8.370 -0.000 0.000 0.521 81 H N -0.565 118.476 119.070 -0.048 0.000 2.791 81 H HA -0.169 4.394 4.556 0.011 0.000 0.302 81 H C 0.874 176.177 175.328 -0.042 0.000 1.198 81 H CA 0.371 56.391 56.048 -0.048 0.000 1.145 81 H CB -0.939 28.801 29.762 -0.037 0.000 1.385 81 H HN 0.198 8.478 8.280 -0.000 0.000 0.409 82 K N -0.084 120.351 120.400 0.058 0.000 2.400 82 K HA 0.391 4.716 4.320 0.009 0.000 0.194 82 K C 0.739 177.326 176.600 -0.022 0.000 1.033 82 K CA 0.722 57.018 56.287 0.016 0.000 1.021 82 K CB 0.878 33.383 32.500 0.009 0.000 0.808 82 K HN 0.313 8.563 8.250 -0.000 0.000 0.505 83 A N 0.382 123.172 122.820 -0.049 0.000 2.572 83 A HA 0.287 4.612 4.320 0.009 0.000 0.295 83 A C -0.663 176.833 177.584 -0.147 0.000 1.072 83 A CA -0.765 51.215 52.037 -0.096 0.000 0.691 83 A CB 1.296 20.234 19.000 -0.103 0.000 1.291 83 A HN -0.047 8.103 8.150 -0.000 0.000 0.404 84 D N 0.011 120.296 120.400 -0.191 0.000 2.277 84 D HA 0.189 4.834 4.640 0.009 0.000 0.209 84 D C 0.143 176.277 176.300 -0.278 0.000 0.970 84 D CA 1.260 55.108 54.000 -0.253 0.000 0.874 84 D CB 0.321 40.930 40.800 -0.319 0.000 0.982 84 D HN 0.444 8.814 8.370 -0.000 0.000 0.504 85 L N -0.298 120.761 121.223 -0.274 0.000 2.415 85 L HA 0.617 4.962 4.340 0.009 0.000 0.256 85 L C -1.093 175.658 176.870 -0.198 0.000 1.010 85 L CA -1.100 53.587 54.840 -0.255 0.000 0.826 85 L CB 2.493 44.353 42.059 -0.332 0.000 1.405 85 L HN -0.265 7.965 8.230 -0.000 0.000 0.410 86 A N 1.685 124.408 122.820 -0.162 0.000 2.310 86 A HA 0.738 5.064 4.320 0.009 0.000 0.304 86 A C -0.997 176.536 177.584 -0.085 0.000 1.231 86 A CA -0.435 51.524 52.037 -0.130 0.000 0.799 86 A CB 1.194 20.124 19.000 -0.116 0.000 1.162 86 A HN 0.342 8.492 8.150 -0.000 0.000 0.486 87 V N 2.227 122.074 119.914 -0.111 0.000 2.304 87 V HA 0.772 4.897 4.120 0.009 0.000 0.278 87 V C 0.354 176.397 176.094 -0.085 0.000 1.018 87 V CA 0.542 62.792 62.300 -0.083 0.000 0.814 87 V CB 0.268 31.992 31.823 -0.165 0.000 1.021 87 V HN 1.427 9.617 8.190 -0.000 0.000 0.440 88 A N 6.498 129.317 122.820 -0.002 0.000 2.467 88 A HA 0.842 5.167 4.320 0.009 0.000 0.301 88 A C -3.012 174.521 177.584 -0.086 0.000 1.126 88 A CA -0.909 51.087 52.037 -0.069 0.000 0.632 88 A CB 1.365 20.284 19.000 -0.137 0.000 1.331 88 A HN 0.419 8.569 8.150 -0.000 0.000 0.482 89 P HA 0.302 4.722 4.420 -0.000 0.000 0.230 89 P C -0.892 175.933 177.300 -0.790 0.000 1.791 89 P CA 0.187 62.552 63.100 -1.225 0.000 1.020 89 P CB -0.368 30.256 31.700 -1.794 0.000 1.977 90 L N 1.989 123.052 121.223 -0.267 0.000 2.255 90 L HA 0.526 4.872 4.340 0.009 0.000 0.289 90 L C 0.201 177.160 176.870 0.148 0.000 1.046 90 L CA -0.714 54.170 54.840 0.073 0.000 0.816 90 L CB 0.655 42.839 42.059 0.210 0.000 1.197 90 L HN 0.157 8.387 8.230 -0.000 0.000 0.427 91 A N 6.160 129.069 122.820 0.148 0.000 2.488 91 A HA 0.327 4.652 4.320 0.009 0.000 0.249 91 A C 0.118 177.562 177.584 -0.234 0.000 1.083 91 A CA -0.121 51.945 52.037 0.049 0.000 0.768 91 A CB -0.334 18.674 19.000 0.014 0.000 1.017 91 A HN 0.729 8.879 8.150 -0.000 0.000 0.496 92 I N 3.176 123.440 120.570 -0.510 0.000 2.379 92 I HA 0.261 4.436 4.170 0.009 0.000 0.290 92 I C 0.774 176.571 176.117 -0.533 0.000 1.063 92 I CA 0.317 60.965 61.300 -1.087 0.000 1.351 92 I CB 0.702 38.202 38.000 -0.834 0.000 1.410 92 I HN 0.797 9.007 8.210 -0.000 0.000 0.505 93 T N 1.831 116.148 114.554 -0.395 0.000 2.906 93 T HA 0.256 4.611 4.350 0.009 0.000 0.295 93 T C 0.602 175.328 174.700 0.043 0.000 1.075 93 T CA -0.645 61.410 62.100 -0.074 0.000 1.005 93 T CB 1.465 70.361 68.868 0.045 0.000 1.136 93 T HN 0.454 8.694 8.240 -0.000 0.000 0.498 94 Y N 2.471 122.772 120.300 0.002 0.000 2.128 94 Y HA -0.122 4.434 4.550 0.010 0.000 0.284 94 Y C 2.429 178.386 175.900 0.095 0.000 1.154 94 Y CA 2.539 60.662 58.100 0.037 0.000 1.149 94 Y CB -0.728 37.747 38.460 0.025 0.000 0.976 94 Y HN 0.551 8.831 8.280 -0.000 0.000 0.505 95 V N -1.088 118.895 119.914 0.115 0.000 2.490 95 V HA -0.218 3.907 4.120 0.009 0.000 0.250 95 V C 2.208 178.400 176.094 0.164 0.000 1.061 95 V CA 2.096 64.483 62.300 0.145 0.000 1.064 95 V CB -0.787 31.222 31.823 0.310 0.000 0.670 95 V HN 0.306 8.496 8.190 -0.000 0.000 0.461 96 R N 0.316 120.897 120.500 0.136 0.000 2.119 96 R HA 0.007 4.352 4.340 0.009 0.000 0.222 96 R C 2.373 178.664 176.300 -0.014 0.000 1.088 96 R CA 1.423 57.500 56.100 -0.038 0.000 0.984 96 R CB -0.306 30.121 30.300 0.212 0.000 0.884 96 R HN 0.635 8.905 8.270 -0.000 0.000 0.447 97 E N 0.505 120.764 120.200 0.099 0.000 2.333 97 E HA -0.150 4.205 4.350 0.009 0.000 0.198 97 E C 1.419 177.958 176.600 -0.101 0.000 1.007 97 E CA 0.710 57.149 56.400 0.064 0.000 0.845 97 E CB 0.186 29.916 29.700 0.050 0.000 0.766 97 E HN 0.116 8.476 8.360 -0.000 0.000 0.507 98 K N 0.203 120.500 120.400 -0.173 0.000 2.288 98 K HA -0.053 4.272 4.320 0.009 0.000 0.201 98 K C 1.999 178.518 176.600 -0.134 0.000 1.048 98 K CA 0.891 57.085 56.287 -0.156 0.000 0.956 98 K CB 0.291 32.711 32.500 -0.135 0.000 0.746 98 K HN 0.227 8.477 8.250 -0.000 0.000 0.461 99 V N -2.052 117.726 119.914 -0.227 0.000 3.572 99 V HA 0.318 4.443 4.120 0.009 0.000 0.260 99 V C 0.939 176.854 176.094 -0.300 0.000 1.324 99 V CA -0.345 61.782 62.300 -0.288 0.000 1.068 99 V CB -0.323 31.191 31.823 -0.516 0.000 0.837 99 V HN 0.131 8.321 8.190 -0.000 0.000 0.450 100 I N -2.743 117.627 120.570 -0.333 0.000 3.174 100 I HA 0.771 4.946 4.170 0.009 0.000 0.313 100 I C -1.565 174.349 176.117 -0.338 0.000 1.155 100 I CA -0.796 60.291 61.300 -0.355 0.000 0.977 100 I CB 2.252 39.951 38.000 -0.502 0.000 1.248 100 I HN -0.198 8.012 8.210 -0.000 0.000 0.453 101 D N 1.617 121.814 120.400 -0.339 0.000 2.228 101 D HA 0.606 5.251 4.640 0.009 0.000 0.247 101 D C -1.311 174.760 176.300 -0.383 0.000 0.995 101 D CA 0.193 54.058 54.000 -0.225 0.000 0.903 101 D CB 2.019 42.755 40.800 -0.107 0.000 1.205 101 D HN 0.340 8.710 8.370 -0.000 0.000 0.459 102 F N 0.033 119.966 119.950 -0.029 0.000 2.563 102 F HA 0.285 4.817 4.527 0.008 0.000 0.316 102 F C 1.042 176.850 175.800 0.012 0.000 1.076 102 F CA -0.856 57.138 58.000 -0.009 0.000 0.921 102 F CB 1.597 40.589 39.000 -0.015 0.000 1.209 102 F HN 0.155 8.455 8.300 -0.000 0.000 0.462 103 S N 1.406 117.255 115.700 0.248 0.000 2.661 103 S HA 0.441 4.916 4.470 0.009 0.000 0.265 103 S C -0.101 174.596 174.600 0.161 0.000 1.225 103 S CA -0.990 57.315 58.200 0.175 0.000 0.986 103 S CB 0.661 63.972 63.200 0.186 0.000 1.008 103 S HN 0.394 8.704 8.310 -0.000 0.000 0.565 104 K N 1.249 121.721 120.400 0.120 0.000 2.230 104 K HA 0.334 4.659 4.320 0.009 0.000 0.253 104 K C -2.535 174.110 176.600 0.076 0.000 1.008 104 K CA -1.768 54.566 56.287 0.078 0.000 0.910 104 K CB -0.541 32.001 32.500 0.069 0.000 0.994 104 K HN 0.457 8.707 8.250 -0.000 0.000 0.495 105 P HA 0.014 4.434 4.420 -0.000 0.000 0.268 105 P C 0.022 177.341 177.300 0.032 0.000 1.205 105 P CA 0.065 63.113 63.100 -0.087 0.000 0.771 105 P CB 0.123 31.737 31.700 -0.144 0.000 0.858 106 F N 0.316 120.339 119.950 0.122 0.000 2.678 106 F HA 0.573 5.105 4.527 0.008 0.000 0.305 106 F C 0.251 176.147 175.800 0.159 0.000 1.090 106 F CA -0.404 57.691 58.000 0.159 0.000 1.272 106 F CB 0.151 39.283 39.000 0.219 0.000 1.060 106 F HN 0.114 8.414 8.300 -0.000 0.000 0.576 107 M N 1.451 121.021 119.600 -0.050 0.000 2.426 107 M HA 0.391 4.876 4.480 0.009 0.000 0.289 107 M C -1.589 174.531 176.300 -0.299 0.000 1.168 107 M CA -0.329 54.923 55.300 -0.080 0.000 0.933 107 M CB 2.107 34.737 32.600 0.050 0.000 1.750 107 M HN 0.148 8.438 8.290 -0.000 0.000 0.494 108 T N 2.478 116.877 114.554 -0.259 0.000 2.918 108 T HA 0.901 5.257 4.350 0.009 0.000 0.286 108 T C -0.423 174.075 174.700 -0.336 0.000 1.026 108 T CA -0.666 61.255 62.100 -0.297 0.000 1.031 108 T CB 1.682 70.436 68.868 -0.190 0.000 1.046 108 T HN 0.844 9.084 8.240 -0.000 0.000 0.479 109 L N -1.525 119.483 121.223 -0.358 0.000 2.910 109 L HA 1.014 5.359 4.340 0.009 0.000 0.271 109 L C -0.463 176.246 176.870 -0.268 0.000 1.056 109 L CA -1.230 53.422 54.840 -0.314 0.000 1.006 109 L CB 1.048 42.858 42.059 -0.415 0.000 1.589 109 L HN 1.082 9.312 8.230 -0.000 0.000 0.365 110 G N -0.251 108.411 108.800 -0.231 0.000 2.673 110 G HA2 0.615 4.581 3.960 0.009 0.000 0.292 110 G HA3 0.615 4.581 3.960 0.009 0.000 0.292 110 G C -1.626 173.139 174.900 -0.225 0.000 1.450 110 G CA -0.871 44.086 45.100 -0.237 0.000 0.837 110 G HN 0.661 8.951 8.290 -0.000 0.000 0.505 111 I N 1.220 121.607 120.570 -0.304 0.000 2.529 111 I HA 0.447 4.622 4.170 0.009 0.000 0.284 111 I C 0.798 176.792 176.117 -0.204 0.000 1.082 111 I CA 0.378 61.510 61.300 -0.279 0.000 1.406 111 I CB 1.488 39.220 38.000 -0.446 0.000 1.405 111 I HN 0.461 8.671 8.210 -0.000 0.000 0.548 112 S N 5.666 121.290 115.700 -0.127 0.000 2.880 112 S HA 0.689 5.164 4.470 0.009 0.000 0.308 112 S C -1.000 173.564 174.600 -0.061 0.000 1.195 112 S CA -0.647 57.505 58.200 -0.081 0.000 0.866 112 S CB 1.201 64.374 63.200 -0.045 0.000 1.254 112 S HN 0.385 8.695 8.310 -0.000 0.000 0.571 113 I N 2.134 122.685 120.570 -0.031 0.000 2.433 113 I HA 0.515 4.690 4.170 0.009 0.000 0.292 113 I C -1.162 174.988 176.117 0.055 0.000 1.001 113 I CA -0.732 60.554 61.300 -0.024 0.000 1.119 113 I CB 1.829 39.792 38.000 -0.061 0.000 1.289 113 I HN 0.418 8.628 8.210 -0.000 0.000 0.438 114 L N 7.629 128.921 121.223 0.116 0.000 2.307 114 L HA 0.620 4.965 4.340 0.009 0.000 0.284 114 L C -1.397 175.644 176.870 0.286 0.000 1.023 114 L CA -0.037 54.925 54.840 0.203 0.000 0.810 114 L CB 1.101 43.323 42.059 0.272 0.000 1.231 114 L HN 0.517 8.747 8.230 -0.000 0.000 0.423 115 Y N 3.367 123.717 120.300 0.082 0.000 2.764 115 Y HA 0.543 5.098 4.550 0.009 0.000 0.331 115 Y C -0.791 175.148 175.900 0.066 0.000 1.280 115 Y CA -1.391 56.753 58.100 0.073 0.000 1.065 115 Y CB 1.369 39.854 38.460 0.042 0.000 1.319 115 Y HN 0.605 8.885 8.280 -0.000 0.000 0.453 116 R N 2.428 122.649 120.500 -0.465 0.000 2.582 116 R HA 0.352 4.698 4.340 0.009 0.000 0.271 116 R C -0.450 175.705 176.300 -0.243 0.000 1.078 116 R CA -0.830 55.063 56.100 -0.344 0.000 1.127 116 R CB 0.690 30.728 30.300 -0.437 0.000 1.038 116 R HN 0.551 8.821 8.270 -0.000 0.000 0.500 117 K N -0.125 120.209 120.400 -0.109 0.000 2.098 117 K HA 0.384 4.709 4.320 0.009 0.000 0.257 117 K C 0.466 177.031 176.600 -0.058 0.000 0.999 117 K CA -0.109 56.151 56.287 -0.046 0.000 0.924 117 K CB 1.141 33.633 32.500 -0.014 0.000 1.028 117 K HN 0.706 8.956 8.250 -0.000 0.000 0.466 118 G N 0.243 109.031 108.800 -0.020 0.000 2.131 118 G HA2 -0.251 3.714 3.960 0.009 0.000 0.223 118 G HA3 -0.251 3.714 3.960 0.009 0.000 0.223 118 G C 0.008 174.905 174.900 -0.004 0.000 0.990 118 G CA 0.392 45.484 45.100 -0.014 0.000 0.671 118 G HN 1.094 9.384 8.290 -0.000 0.000 0.521 119 T N -2.664 111.902 114.554 0.020 0.000 2.940 119 T HA 0.800 5.156 4.350 0.009 0.000 0.288 119 T C -0.932 173.826 174.700 0.096 0.000 1.045 119 T CA -0.659 61.483 62.100 0.070 0.000 1.018 119 T CB 2.623 71.579 68.868 0.147 0.000 1.151 119 T HN 0.023 8.263 8.240 -0.000 0.000 0.529 120 P HA 0.274 4.694 4.420 -0.000 0.000 0.249 120 P C -0.012 177.331 177.300 0.072 0.000 1.229 120 P CA -0.170 62.973 63.100 0.071 0.000 0.788 120 P CB 0.099 31.832 31.700 0.055 0.000 1.072 121 I N 1.680 122.320 120.570 0.117 0.000 2.452 121 I HA 0.038 4.214 4.170 0.009 0.000 0.287 121 I C 0.924 177.073 176.117 0.054 0.000 1.079 121 I CA 0.541 61.874 61.300 0.056 0.000 1.387 121 I CB 0.538 38.536 38.000 -0.002 0.000 1.404 121 I HN -0.060 8.150 8.210 -0.000 0.000 0.522 122 D N 3.218 123.625 120.400 0.012 0.000 2.520 122 D HA 0.097 4.742 4.640 0.009 0.000 0.223 122 D C 0.137 176.435 176.300 -0.003 0.000 1.186 122 D CA 0.134 54.144 54.000 0.016 0.000 0.821 122 D CB 0.764 41.573 40.800 0.016 0.000 1.072 122 D HN 0.621 8.991 8.370 -0.000 0.000 0.518 123 S N -1.828 113.855 115.700 -0.028 0.000 2.655 123 S HA 0.580 5.055 4.470 0.009 0.000 0.266 123 S C 0.841 175.405 174.600 -0.061 0.000 1.149 123 S CA -0.279 57.905 58.200 -0.028 0.000 0.818 123 S CB 0.662 63.855 63.200 -0.011 0.000 1.130 123 S HN -0.053 8.257 8.310 -0.000 0.000 0.476 124 A N 0.628 123.433 122.820 -0.024 0.000 1.969 124 A HA 0.002 4.328 4.320 0.009 0.000 0.218 124 A C 1.606 179.151 177.584 -0.064 0.000 1.169 124 A CA 1.793 53.809 52.037 -0.035 0.000 0.635 124 A CB -1.089 18.003 19.000 0.153 0.000 0.810 124 A HN 0.814 8.964 8.150 -0.000 0.000 0.445 125 D N 0.323 120.705 120.400 -0.030 0.000 2.144 125 D HA -0.128 4.517 4.640 0.009 0.000 0.199 125 D C 1.034 177.291 176.300 -0.072 0.000 0.984 125 D CA 1.332 55.305 54.000 -0.045 0.000 0.834 125 D CB -0.304 40.476 40.800 -0.033 0.000 0.955 125 D HN 0.370 8.740 8.370 -0.000 0.000 0.465 126 D N 0.423 120.777 120.400 -0.077 0.000 2.178 126 D HA -0.078 4.567 4.640 0.009 0.000 0.201 126 D C 2.321 178.543 176.300 -0.129 0.000 0.980 126 D CA 0.329 54.281 54.000 -0.080 0.000 0.842 126 D CB -0.115 40.647 40.800 -0.063 0.000 0.948 126 D HN 0.268 8.638 8.370 -0.000 0.000 0.472 127 L N 0.369 121.463 121.223 -0.216 0.000 2.068 127 L HA -0.005 4.341 4.340 0.009 0.000 0.204 127 L C 2.449 179.130 176.870 -0.315 0.000 1.076 127 L CA 0.837 55.471 54.840 -0.342 0.000 0.753 127 L CB -0.306 41.379 42.059 -0.623 0.000 0.910 127 L HN -0.048 8.182 8.230 -0.000 0.000 0.439 128 A N 0.962 123.619 122.820 -0.272 0.000 2.015 128 A HA -0.194 4.132 4.320 0.009 0.000 0.219 128 A C 2.066 179.617 177.584 -0.056 0.000 1.163 128 A CA 1.545 53.498 52.037 -0.141 0.000 0.646 128 A CB -0.428 18.535 19.000 -0.060 0.000 0.806 128 A HN 0.527 8.677 8.150 -0.000 0.000 0.448 129 K N -0.329 120.037 120.400 -0.057 0.000 2.458 129 K HA 0.079 4.404 4.320 0.009 0.000 0.194 129 K C -0.080 176.511 176.600 -0.014 0.000 1.024 129 K CA 0.259 56.531 56.287 -0.025 0.000 1.108 129 K CB -0.111 32.375 32.500 -0.024 0.000 0.846 129 K HN 0.589 8.839 8.250 -0.000 0.000 0.518 130 Q N -0.667 119.118 119.800 -0.025 0.000 2.379 130 Q HA 0.242 4.587 4.340 0.009 0.000 0.278 130 Q C -0.157 175.839 176.000 -0.008 0.000 1.068 130 Q CA -0.832 54.969 55.803 -0.003 0.000 0.816 130 Q CB 1.688 30.424 28.738 -0.004 0.000 1.387 130 Q HN 0.084 8.354 8.270 -0.000 0.000 0.413 131 T N -2.555 112.029 114.554 0.050 0.000 3.044 131 T HA 0.212 4.567 4.350 0.009 0.000 0.260 131 T C 0.976 175.775 174.700 0.165 0.000 1.019 131 T CA 0.218 62.398 62.100 0.134 0.000 0.921 131 T CB 0.147 69.145 68.868 0.217 0.000 1.053 131 T HN 0.641 8.881 8.240 -0.000 0.000 0.533 132 K N 1.455 121.916 120.400 0.102 0.000 2.005 132 K HA 0.178 4.503 4.320 0.009 0.000 0.206 132 K C 0.519 177.198 176.600 0.131 0.000 1.044 132 K CA 0.485 56.837 56.287 0.109 0.000 0.942 132 K CB -0.185 32.364 32.500 0.082 0.000 0.727 132 K HN 0.377 8.627 8.250 -0.000 0.000 0.439 133 I N 3.081 123.716 120.570 0.107 0.000 2.517 133 I HA -0.011 4.164 4.170 0.009 0.000 0.285 133 I C 0.057 176.259 176.117 0.141 0.000 1.106 133 I CA 0.094 61.472 61.300 0.131 0.000 1.402 133 I CB 0.850 38.892 38.000 0.071 0.000 1.399 133 I HN 0.298 8.508 8.210 -0.000 0.000 0.535 134 E N 6.232 126.568 120.200 0.227 0.000 2.318 134 E HA 0.458 4.813 4.350 0.009 0.000 0.265 134 E C -1.390 175.300 176.600 0.150 0.000 1.069 134 E CA -0.489 56.066 56.400 0.259 0.000 0.893 134 E CB 1.518 31.447 29.700 0.383 0.000 1.076 134 E HN 0.498 8.858 8.360 -0.000 0.000 0.414 135 Y N -1.994 118.360 120.300 0.090 0.000 2.609 135 Y HA 0.750 5.306 4.550 0.009 0.000 0.336 135 Y C -0.204 175.672 175.900 -0.040 0.000 1.129 135 Y CA -0.976 56.931 58.100 -0.321 0.000 1.040 135 Y CB 1.406 39.654 38.460 -0.353 0.000 1.310 135 Y HN 0.604 8.884 8.280 -0.000 0.000 0.460 136 G N -0.033 108.796 108.800 0.048 0.000 2.650 136 G HA2 0.862 4.828 3.960 0.009 0.000 0.310 136 G HA3 0.862 4.828 3.960 0.009 0.000 0.310 136 G C -1.869 173.124 174.900 0.155 0.000 1.270 136 G CA -0.431 44.828 45.100 0.263 0.000 0.810 136 G HN 1.451 9.741 8.290 -0.000 0.000 0.493 137 A N -1.687 121.277 122.820 0.241 0.000 2.557 137 A HA 0.750 5.075 4.320 0.009 0.000 0.292 137 A C -1.144 176.627 177.584 0.312 0.000 1.139 137 A CA -0.408 51.624 52.037 -0.009 0.000 0.665 137 A CB 0.900 19.853 19.000 -0.079 0.000 1.285 137 A HN 1.484 9.634 8.150 -0.000 0.000 0.433 138 V N 1.838 121.887 119.914 0.226 0.000 2.521 138 V HA 0.163 4.288 4.120 0.009 0.000 0.286 138 V C 0.789 177.014 176.094 0.218 0.000 1.034 138 V CA 0.121 62.599 62.300 0.296 0.000 1.045 138 V CB 0.806 32.772 31.823 0.238 0.000 0.974 138 V HN 0.873 9.063 8.190 -0.000 0.000 0.480 139 E N 4.384 124.719 120.200 0.225 0.000 2.384 139 E HA -0.007 4.349 4.350 0.009 0.000 0.266 139 E C 0.066 176.776 176.600 0.184 0.000 1.012 139 E CA -0.137 56.380 56.400 0.196 0.000 0.901 139 E CB 0.251 30.053 29.700 0.169 0.000 0.967 139 E HN 0.779 9.139 8.360 -0.000 0.000 0.435 140 D N 1.805 122.302 120.400 0.162 0.000 2.870 140 D HA -0.151 4.494 4.640 0.009 0.000 0.228 140 D C -0.198 176.213 176.300 0.186 0.000 1.147 140 D CA 1.284 55.374 54.000 0.150 0.000 0.757 140 D CB -1.379 39.509 40.800 0.148 0.000 1.091 140 D HN 0.532 8.902 8.370 -0.000 0.000 0.429 141 G N -1.492 107.395 108.800 0.145 0.000 2.735 141 G HA2 0.641 4.607 3.960 0.009 0.000 0.301 141 G HA3 0.641 4.607 3.960 0.009 0.000 0.301 141 G C 1.028 175.965 174.900 0.063 0.000 1.279 141 G CA 0.025 45.176 45.100 0.085 0.000 1.019 141 G HN 0.131 8.421 8.290 -0.000 0.000 0.497 142 A N -0.746 122.083 122.820 0.014 0.000 1.933 142 A HA 0.022 4.348 4.320 0.009 0.000 0.218 142 A C 2.394 180.010 177.584 0.053 0.000 1.175 142 A CA 2.572 54.635 52.037 0.042 0.000 0.628 142 A CB -0.956 18.048 19.000 0.006 0.000 0.814 142 A HN 0.571 8.721 8.150 -0.000 0.000 0.444 143 T N -0.241 114.326 114.554 0.022 0.000 2.708 143 T HA -0.192 4.163 4.350 0.009 0.000 0.266 143 T C 1.958 176.813 174.700 0.258 0.000 1.037 143 T CA 1.639 63.798 62.100 0.097 0.000 1.146 143 T CB -0.313 68.560 68.868 0.009 0.000 0.865 143 T HN 0.511 8.751 8.240 -0.000 0.000 0.435 144 M N 0.931 120.627 119.600 0.160 0.000 2.080 144 M HA -0.182 4.304 4.480 0.009 0.000 0.260 144 M C 2.212 178.503 176.300 -0.015 0.000 1.068 144 M CA 1.774 57.169 55.300 0.157 0.000 1.109 144 M CB -0.626 32.067 32.600 0.155 0.000 1.342 144 M HN 0.196 8.486 8.290 -0.000 0.000 0.405 145 T N 0.593 115.137 114.554 -0.017 0.000 2.759 145 T HA -0.189 4.167 4.350 0.009 0.000 0.269 145 T C 1.305 175.945 174.700 -0.101 0.000 1.042 145 T CA 1.692 63.731 62.100 -0.102 0.000 1.140 145 T CB -0.591 68.275 68.868 -0.004 0.000 0.864 145 T HN 0.529 8.769 8.240 -0.000 0.000 0.455 146 F N 1.080 120.951 119.950 -0.132 0.000 2.095 146 F HA -0.069 4.463 4.527 0.008 0.000 0.298 146 F C 1.670 177.297 175.800 -0.289 0.000 1.104 146 F CA 1.208 59.081 58.000 -0.211 0.000 1.232 146 F CB -0.485 38.352 39.000 -0.271 0.000 0.987 146 F HN 0.111 8.411 8.300 -0.000 0.000 0.475 147 F N 0.814 120.654 119.950 -0.184 0.000 2.163 147 F HA -0.062 4.470 4.527 0.007 0.000 0.297 147 F C 2.524 178.001 175.800 -0.538 0.000 1.094 147 F CA 1.662 59.519 58.000 -0.237 0.000 1.290 147 F CB -0.768 38.305 39.000 0.122 0.000 1.017 147 F HN -0.112 8.188 8.300 -0.000 0.000 0.483 148 K N 0.772 120.645 120.400 -0.878 0.000 2.209 148 K HA -0.169 4.156 4.320 0.009 0.000 0.204 148 K C 1.339 177.552 176.600 -0.644 0.000 1.048 148 K CA 1.410 56.801 56.287 -1.494 0.000 0.940 148 K CB -0.029 31.615 32.500 -1.426 0.000 0.729 148 K HN 0.214 8.464 8.250 -0.000 0.000 0.451 149 K N 0.130 120.260 120.400 -0.450 0.000 2.358 149 K HA 0.087 4.412 4.320 0.009 0.000 0.200 149 K C 0.203 176.619 176.600 -0.306 0.000 1.030 149 K CA -0.239 55.870 56.287 -0.296 0.000 1.097 149 K CB 0.946 33.316 32.500 -0.216 0.000 0.862 149 K HN -0.059 8.191 8.250 -0.000 0.000 0.534 150 S N 1.265 116.714 115.700 -0.418 0.000 2.549 150 S HA 0.084 4.560 4.470 0.009 0.000 0.283 150 S C 0.643 175.137 174.600 -0.177 0.000 1.320 150 S CA -0.063 57.894 58.200 -0.404 0.000 1.058 150 S CB 0.623 63.495 63.200 -0.547 0.000 0.882 150 S HN 0.155 8.465 8.310 -0.000 0.000 0.498 151 K N 3.420 123.733 120.400 -0.145 0.000 2.358 151 K HA 0.294 4.619 4.320 0.009 0.000 0.200 151 K C -0.189 176.363 176.600 -0.080 0.000 1.030 151 K CA 0.011 56.248 56.287 -0.084 0.000 1.097 151 K CB 0.214 32.668 32.500 -0.076 0.000 0.862 151 K HN 0.598 8.848 8.250 -0.000 0.000 0.534 152 I N 2.415 122.922 120.570 -0.106 0.000 2.517 152 I HA -0.116 4.059 4.170 0.009 0.000 0.285 152 I C 1.729 177.749 176.117 -0.162 0.000 1.106 152 I CA -0.154 61.044 61.300 -0.169 0.000 1.402 152 I CB 1.315 39.141 38.000 -0.291 0.000 1.399 152 I HN 0.198 8.408 8.210 -0.000 0.000 0.535 153 S N 3.457 119.075 115.700 -0.137 0.000 2.389 153 S HA -0.294 4.181 4.470 0.009 0.000 0.229 153 S C 1.793 176.350 174.600 -0.072 0.000 1.048 153 S CA 2.278 60.429 58.200 -0.082 0.000 1.117 153 S CB -0.895 62.260 63.200 -0.076 0.000 1.020 153 S HN 0.758 9.068 8.310 -0.000 0.000 0.430 154 T N 1.451 115.897 114.554 -0.180 0.000 2.665 154 T HA -0.132 4.224 4.350 0.009 0.000 0.268 154 T C 1.588 176.359 174.700 0.118 0.000 1.035 154 T CA 1.969 64.004 62.100 -0.109 0.000 1.151 154 T CB -0.769 67.953 68.868 -0.243 0.000 0.862 154 T HN 0.657 8.897 8.240 -0.000 0.000 0.438 155 Y N 1.014 121.376 120.300 0.103 0.000 2.293 155 Y HA -0.099 4.456 4.550 0.009 0.000 0.291 155 Y C 2.812 178.875 175.900 0.273 0.000 1.137 155 Y CA 0.375 58.596 58.100 0.202 0.000 1.202 155 Y CB -0.126 38.270 38.460 -0.107 0.000 0.990 155 Y HN 0.235 8.515 8.280 -0.000 0.000 0.537 156 D N 1.504 122.066 120.400 0.270 0.000 2.144 156 D HA -0.171 4.475 4.640 0.009 0.000 0.200 156 D C 1.739 178.211 176.300 0.288 0.000 0.978 156 D CA 1.454 55.603 54.000 0.248 0.000 0.833 156 D CB 0.101 40.973 40.800 0.121 0.000 0.961 156 D HN 0.507 8.877 8.370 -0.000 0.000 0.470 157 K N -0.263 120.276 120.400 0.231 0.000 2.228 157 K HA -0.028 4.298 4.320 0.009 0.000 0.202 157 K C 2.349 179.125 176.600 0.294 0.000 1.051 157 K CA 0.493 56.906 56.287 0.211 0.000 0.960 157 K CB -0.247 32.336 32.500 0.139 0.000 0.743 157 K HN 0.126 8.376 8.250 -0.000 0.000 0.458 158 M N 0.249 120.072 119.600 0.372 0.000 2.175 158 M HA -0.073 4.412 4.480 0.009 0.000 0.264 158 M C 2.087 178.686 176.300 0.499 0.000 1.063 158 M CA 1.469 57.039 55.300 0.451 0.000 1.119 158 M CB -0.300 32.534 32.600 0.390 0.000 1.377 158 M HN 0.399 8.689 8.290 -0.000 0.000 0.415 159 W N 1.019 122.513 121.300 0.323 0.000 2.388 159 W HA -0.166 4.496 4.660 0.003 0.000 0.294 159 W C 2.132 178.761 176.519 0.183 0.000 1.212 159 W CA 1.399 58.889 57.345 0.242 0.000 1.271 159 W CB -0.081 29.520 29.460 0.235 0.000 1.126 159 W HN 0.209 8.389 8.180 -0.000 0.000 0.535 160 A N 0.544 123.414 122.820 0.082 0.000 1.908 160 A HA -0.268 4.057 4.320 0.009 0.000 0.218 160 A C 1.835 179.347 177.584 -0.120 0.000 1.181 160 A CA 1.749 53.739 52.037 -0.079 0.000 0.627 160 A CB -1.529 17.512 19.000 0.068 0.000 0.818 160 A HN 0.471 8.621 8.150 -0.000 0.000 0.445 161 F N 0.154 120.028 119.950 -0.127 0.000 2.084 161 F HA -0.167 4.366 4.527 0.010 0.000 0.296 161 F C 2.390 178.008 175.800 -0.303 0.000 1.111 161 F CA 2.204 60.098 58.000 -0.177 0.000 1.224 161 F CB -0.286 38.642 39.000 -0.121 0.000 0.991 161 F HN 0.154 8.454 8.300 -0.000 0.000 0.471 162 M N -0.610 118.943 119.600 -0.077 0.000 2.080 162 M HA -0.249 4.236 4.480 0.009 0.000 0.260 162 M C 2.542 178.532 176.300 -0.517 0.000 1.068 162 M CA 1.987 57.142 55.300 -0.242 0.000 1.109 162 M CB -0.865 31.697 32.600 -0.064 0.000 1.342 162 M HN 0.272 8.562 8.290 -0.000 0.000 0.405 163 S N 0.393 115.556 115.700 -0.894 0.000 2.370 163 S HA -0.151 4.324 4.470 0.009 0.000 0.226 163 S C 1.960 176.278 174.600 -0.470 0.000 1.033 163 S CA 1.937 59.605 58.200 -0.887 0.000 1.011 163 S CB -0.338 62.155 63.200 -1.178 0.000 0.852 163 S HN 0.630 8.940 8.310 -0.000 0.000 0.457 164 S N 0.421 115.866 115.700 -0.424 0.000 2.515 164 S HA 0.102 4.577 4.470 0.009 0.000 0.231 164 S C 1.222 175.626 174.600 -0.326 0.000 0.987 164 S CA 0.185 58.192 58.200 -0.321 0.000 0.936 164 S CB -0.256 62.768 63.200 -0.293 0.000 0.766 164 S HN 0.616 8.926 8.310 -0.000 0.000 0.528 165 R N 0.106 120.373 120.500 -0.389 0.000 2.642 165 R HA 0.363 4.709 4.340 0.009 0.000 0.435 165 R C 1.495 177.660 176.300 -0.225 0.000 1.046 165 R CA -0.304 55.600 56.100 -0.328 0.000 1.103 165 R CB 0.051 30.068 30.300 -0.471 0.000 1.425 165 R HN 0.333 8.603 8.270 -0.000 0.000 0.586 166 R N 1.560 121.937 120.500 -0.204 0.000 2.159 166 R HA -0.261 4.084 4.340 0.009 0.000 0.249 166 R C 1.262 177.533 176.300 -0.049 0.000 1.136 166 R CA 2.026 58.056 56.100 -0.118 0.000 0.951 166 R CB 0.086 30.326 30.300 -0.100 0.000 0.876 166 R HN 0.178 8.448 8.270 -0.000 0.000 0.440 167 Q N -0.197 119.570 119.800 -0.055 0.000 2.226 167 Q HA -0.054 4.291 4.340 0.009 0.000 0.204 167 Q C 2.096 178.076 176.000 -0.034 0.000 0.975 167 Q CA 1.710 57.494 55.803 -0.031 0.000 0.866 167 Q CB 0.072 28.788 28.738 -0.037 0.000 0.915 167 Q HN 0.392 8.662 8.270 -0.000 0.000 0.440 168 S N 0.233 115.899 115.700 -0.057 0.000 2.458 168 S HA -0.023 4.453 4.470 0.009 0.000 0.223 168 S C 1.998 176.579 174.600 -0.031 0.000 1.019 168 S CA 0.841 59.006 58.200 -0.057 0.000 0.937 168 S CB 0.295 63.448 63.200 -0.080 0.000 0.788 168 S HN 0.389 8.699 8.310 -0.000 0.000 0.511 169 V N -1.528 118.395 119.914 0.015 0.000 3.570 169 V HA 0.440 4.565 4.120 0.009 0.000 0.257 169 V C 0.312 176.557 176.094 0.251 0.000 1.272 169 V CA -0.097 62.300 62.300 0.163 0.000 1.079 169 V CB -0.459 31.482 31.823 0.197 0.000 0.829 169 V HN 0.210 8.400 8.190 -0.000 0.000 0.454 170 L N 2.898 124.220 121.223 0.164 0.000 2.326 170 L HA 0.628 4.973 4.340 0.009 0.000 0.278 170 L C -0.033 176.951 176.870 0.189 0.000 1.092 170 L CA -0.472 54.501 54.840 0.222 0.000 0.810 170 L CB 1.547 43.714 42.059 0.179 0.000 1.153 170 L HN 0.311 8.541 8.230 -0.000 0.000 0.439 171 V N 0.084 120.148 119.914 0.251 0.000 3.103 171 V HA 0.474 4.600 4.120 0.009 0.000 0.318 171 V C 0.599 176.799 176.094 0.176 0.000 1.114 171 V CA -0.944 61.456 62.300 0.166 0.000 1.020 171 V CB 2.035 33.922 31.823 0.107 0.000 1.085 171 V HN 0.624 8.814 8.190 -0.000 0.000 0.446 172 K N 0.947 121.422 120.400 0.125 0.000 2.418 172 K HA 0.213 4.538 4.320 0.009 0.000 0.195 172 K C 0.639 177.339 176.600 0.167 0.000 1.035 172 K CA 1.147 57.514 56.287 0.133 0.000 1.003 172 K CB 0.089 32.643 32.500 0.090 0.000 0.793 172 K HN 1.038 9.288 8.250 -0.000 0.000 0.494 173 S N -1.311 114.492 115.700 0.172 0.000 2.587 173 S HA 0.305 4.780 4.470 0.009 0.000 0.269 173 S C 0.313 175.039 174.600 0.210 0.000 1.154 173 S CA -0.905 57.417 58.200 0.203 0.000 0.824 173 S CB 1.019 64.305 63.200 0.142 0.000 1.118 173 S HN -0.135 8.175 8.310 -0.000 0.000 0.462 174 N N 1.165 120.025 118.700 0.266 0.000 2.166 174 N HA -0.140 4.605 4.740 0.009 0.000 0.186 174 N C 1.512 177.086 175.510 0.107 0.000 1.019 174 N CA 1.724 54.958 53.050 0.308 0.000 0.856 174 N CB -0.373 38.310 38.487 0.326 0.000 0.993 174 N HN 0.872 9.252 8.380 -0.000 0.000 0.426 175 E N 1.079 121.337 120.200 0.096 0.000 2.118 175 E HA -0.192 4.163 4.350 0.009 0.000 0.195 175 E C 1.753 178.337 176.600 -0.027 0.000 0.992 175 E CA 1.004 57.434 56.400 0.049 0.000 0.804 175 E CB 0.041 29.781 29.700 0.066 0.000 0.741 175 E HN 0.364 8.724 8.360 -0.000 0.000 0.458 176 E N -0.717 119.456 120.200 -0.045 0.000 2.106 176 E HA -0.131 4.224 4.350 0.009 0.000 0.192 176 E C 1.996 178.448 176.600 -0.248 0.000 0.984 176 E CA 0.976 57.316 56.400 -0.099 0.000 0.806 176 E CB -0.218 29.450 29.700 -0.053 0.000 0.750 176 E HN 0.384 8.744 8.360 -0.000 0.000 0.458 177 G N 1.274 109.785 108.800 -0.482 0.000 2.418 177 G HA2 -0.239 3.726 3.960 0.009 0.000 0.217 177 G HA3 -0.239 3.726 3.960 0.009 0.000 0.217 177 G C 1.572 176.127 174.900 -0.575 0.000 1.158 177 G CA 0.801 45.230 45.100 -1.119 0.000 0.771 177 G HN 0.227 8.517 8.290 -0.000 0.000 0.545 178 I N 0.234 120.623 120.570 -0.300 0.000 2.226 178 I HA -0.185 3.991 4.170 0.009 0.000 0.245 178 I C 2.968 179.069 176.117 -0.026 0.000 1.100 178 I CA 0.930 62.199 61.300 -0.052 0.000 1.374 178 I CB -0.139 37.881 38.000 0.032 0.000 1.057 178 I HN 0.115 8.325 8.210 -0.000 0.000 0.413 179 Q N 0.328 120.091 119.800 -0.062 0.000 2.119 179 Q HA -0.203 4.143 4.340 0.009 0.000 0.201 179 Q C 2.270 178.236 176.000 -0.056 0.000 0.972 179 Q CA 1.311 57.087 55.803 -0.044 0.000 0.847 179 Q CB -0.405 28.303 28.738 -0.050 0.000 0.903 179 Q HN 0.370 8.640 8.270 -0.000 0.000 0.433 180 R N 0.260 120.687 120.500 -0.121 0.000 2.096 180 R HA -0.087 4.258 4.340 0.009 0.000 0.235 180 R C 2.122 178.443 176.300 0.034 0.000 1.127 180 R CA 1.023 57.011 56.100 -0.186 0.000 0.968 180 R CB -0.326 29.636 30.300 -0.563 0.000 0.861 180 R HN 0.061 8.331 8.270 -0.000 0.000 0.440 181 V N 0.479 120.501 119.914 0.179 0.000 2.427 181 V HA -0.171 3.955 4.120 0.009 0.000 0.248 181 V C 2.028 178.199 176.094 0.129 0.000 1.051 181 V CA 1.570 64.033 62.300 0.271 0.000 1.048 181 V CB -0.343 31.642 31.823 0.270 0.000 0.666 181 V HN 0.318 8.508 8.190 -0.000 0.000 0.456 182 L N 0.481 121.744 121.223 0.066 0.000 2.552 182 L HA -0.017 4.329 4.340 0.009 0.000 0.227 182 L C 2.101 178.982 176.870 0.017 0.000 1.146 182 L CA 1.500 56.357 54.840 0.029 0.000 0.858 182 L CB -0.455 41.614 42.059 0.017 0.000 0.969 182 L HN 0.592 8.822 8.230 -0.000 0.000 0.451 183 T N -5.557 109.009 114.554 0.020 0.000 3.004 183 T HA 0.202 4.557 4.350 0.009 0.000 0.266 183 T C 0.511 175.223 174.700 0.021 0.000 0.986 183 T CA 0.224 62.328 62.100 0.008 0.000 0.902 183 T CB 0.373 69.233 68.868 -0.013 0.000 1.118 183 T HN 0.207 8.447 8.240 -0.000 0.000 0.522 184 S N -0.208 115.525 115.700 0.055 0.000 2.671 184 S HA 0.480 4.955 4.470 0.009 0.000 0.277 184 S C -1.538 173.165 174.600 0.173 0.000 1.165 184 S CA -0.796 57.454 58.200 0.084 0.000 0.822 184 S CB 1.387 64.615 63.200 0.046 0.000 1.150 184 S HN 0.009 8.319 8.310 -0.000 0.000 0.479 185 D N 1.269 121.781 120.400 0.188 0.000 2.498 185 D HA 0.235 4.880 4.640 0.009 0.000 0.229 185 D C -1.360 175.172 176.300 0.386 0.000 1.188 185 D CA 0.412 54.572 54.000 0.266 0.000 1.028 185 D CB -0.573 40.348 40.800 0.202 0.000 1.087 185 D HN 0.517 8.887 8.370 -0.000 0.000 0.510 186 Y N 0.961 121.436 120.300 0.292 0.000 2.470 186 Y HA 0.491 5.045 4.550 0.008 0.000 0.341 186 Y C -1.389 174.726 175.900 0.359 0.000 1.021 186 Y CA -0.943 57.316 58.100 0.265 0.000 1.025 186 Y CB 1.521 40.089 38.460 0.180 0.000 1.266 186 Y HN 0.213 8.493 8.280 -0.000 0.000 0.448 187 A N 5.409 128.110 122.820 -0.199 0.000 2.324 187 A HA 0.705 5.031 4.320 0.009 0.000 0.330 187 A C -2.139 175.235 177.584 -0.350 0.000 1.165 187 A CA -0.461 51.454 52.037 -0.202 0.000 0.813 187 A CB 0.583 19.316 19.000 -0.445 0.000 1.197 187 A HN 0.620 8.770 8.150 -0.000 0.000 0.484 188 F N 3.100 122.917 119.950 -0.223 0.000 2.467 188 F HA 0.489 5.020 4.527 0.007 0.000 0.336 188 F C -0.724 175.045 175.800 -0.052 0.000 1.123 188 F CA -1.428 56.489 58.000 -0.139 0.000 0.964 188 F CB 1.451 40.510 39.000 0.099 0.000 1.136 188 F HN 0.329 8.629 8.300 -0.000 0.000 0.447 189 L N 7.939 128.851 121.223 -0.518 0.000 2.283 189 L HA 0.371 4.716 4.340 0.009 0.000 0.287 189 L C -0.165 176.321 176.870 -0.639 0.000 1.073 189 L CA 0.160 54.741 54.840 -0.432 0.000 0.822 189 L CB 0.070 41.925 42.059 -0.339 0.000 1.186 189 L HN 0.812 9.042 8.230 -0.000 0.000 0.436 190 M N 1.473 120.873 119.600 -0.333 0.000 2.779 190 M HA 0.584 5.070 4.480 0.009 0.000 0.277 190 M C -0.770 175.485 176.300 -0.075 0.000 1.284 190 M CA -0.972 54.199 55.300 -0.214 0.000 0.801 190 M CB 2.095 34.676 32.600 -0.032 0.000 1.712 190 M HN 0.197 8.487 8.290 -0.000 0.000 0.453 191 E N 1.213 121.408 120.200 -0.008 0.000 2.338 191 E HA 0.177 4.532 4.350 0.009 0.000 0.272 191 E C 0.648 177.289 176.600 0.068 0.000 1.029 191 E CA 0.075 56.479 56.400 0.007 0.000 0.872 191 E CB 1.286 31.020 29.700 0.056 0.000 1.015 191 E HN 0.811 9.171 8.360 -0.000 0.000 0.417 192 S N 1.954 117.659 115.700 0.007 0.000 2.387 192 S HA -0.263 4.213 4.470 0.009 0.000 0.230 192 S C 1.915 176.583 174.600 0.113 0.000 1.035 192 S CA 1.967 60.188 58.200 0.034 0.000 1.014 192 S CB -0.821 62.359 63.200 -0.034 0.000 0.836 192 S HN 0.702 9.012 8.310 -0.000 0.000 0.466 193 T N -0.703 113.929 114.554 0.131 0.000 2.867 193 T HA -0.071 4.285 4.350 0.009 0.000 0.268 193 T C 1.846 176.876 174.700 0.549 0.000 1.057 193 T CA 1.725 63.978 62.100 0.256 0.000 1.136 193 T CB -1.254 67.758 68.868 0.241 0.000 0.874 193 T HN 0.482 8.722 8.240 -0.000 0.000 0.466 194 T N 1.952 116.787 114.554 0.469 0.000 2.896 194 T HA 0.245 4.601 4.350 0.009 0.000 0.263 194 T C 1.954 176.887 174.700 0.387 0.000 1.050 194 T CA 0.635 63.011 62.100 0.459 0.000 1.140 194 T CB -0.346 68.757 68.868 0.393 0.000 0.877 194 T HN 0.362 8.602 8.240 -0.000 0.000 0.457 195 I N 1.237 121.983 120.570 0.293 0.000 2.208 195 I HA -0.186 3.989 4.170 0.009 0.000 0.245 195 I C 2.744 179.004 176.117 0.238 0.000 1.097 195 I CA 1.389 62.829 61.300 0.233 0.000 1.363 195 I CB -0.381 37.716 38.000 0.161 0.000 1.051 195 I HN 0.345 8.555 8.210 -0.000 0.000 0.413 196 E N 0.941 121.310 120.200 0.281 0.000 2.058 196 E HA -0.291 4.065 4.350 0.009 0.000 0.194 196 E C 2.195 179.001 176.600 0.344 0.000 0.997 196 E CA 1.644 58.219 56.400 0.292 0.000 0.801 196 E CB -0.136 29.758 29.700 0.322 0.000 0.746 196 E HN 0.420 8.780 8.360 -0.000 0.000 0.450 197 F N 0.531 120.650 119.950 0.281 0.000 2.113 197 F HA -0.174 4.359 4.527 0.010 0.000 0.297 197 F C 2.074 177.894 175.800 0.034 0.000 1.103 197 F CA 1.168 59.196 58.000 0.046 0.000 1.248 197 F CB -0.293 38.558 39.000 -0.248 0.000 0.999 197 F HN -0.123 8.177 8.300 -0.000 0.000 0.475 198 V N 0.362 120.378 119.914 0.170 0.000 2.295 198 V HA -0.328 3.797 4.120 0.009 0.000 0.246 198 V C 2.606 178.700 176.094 0.000 0.000 1.049 198 V CA 2.454 64.801 62.300 0.078 0.000 1.024 198 V CB -1.399 30.535 31.823 0.185 0.000 0.648 198 V HN 0.611 8.801 8.190 -0.000 0.000 0.447 199 T N -1.727 112.854 114.554 0.046 0.000 2.881 199 T HA -0.289 4.067 4.350 0.009 0.000 0.270 199 T C 1.747 176.436 174.700 -0.018 0.000 1.068 199 T CA 1.686 63.802 62.100 0.028 0.000 1.131 199 T CB -0.338 68.565 68.868 0.058 0.000 0.871 199 T HN 0.429 8.669 8.240 -0.000 0.000 0.479 200 Q N 1.074 120.841 119.800 -0.056 0.000 2.291 200 Q HA 0.088 4.433 4.340 0.009 0.000 0.205 200 Q C 2.107 178.021 176.000 -0.142 0.000 0.970 200 Q CA 1.120 56.870 55.803 -0.090 0.000 0.876 200 Q CB -0.011 28.660 28.738 -0.110 0.000 0.935 200 Q HN 0.577 8.847 8.270 -0.000 0.000 0.455 201 R N -0.737 119.649 120.500 -0.190 0.000 2.437 201 R HA 0.235 4.580 4.340 0.009 0.000 0.257 201 R C -0.130 176.117 176.300 -0.089 0.000 0.927 201 R CA 0.007 56.004 56.100 -0.172 0.000 1.078 201 R CB 0.620 30.753 30.300 -0.278 0.000 1.161 201 R HN -0.022 8.248 8.270 -0.000 0.000 0.529 202 N N 0.960 119.625 118.700 -0.058 0.000 2.664 202 N HA 0.018 4.764 4.740 0.009 0.000 0.257 202 N C 0.631 176.131 175.510 -0.016 0.000 1.108 202 N CA -0.273 52.762 53.050 -0.026 0.000 0.822 202 N CB 1.036 39.520 38.487 -0.005 0.000 1.199 202 N HN 0.183 8.563 8.380 -0.000 0.000 0.529 203 C N 1.563 120.852 119.300 -0.019 0.000 2.413 203 C HA 0.097 4.562 4.460 0.009 0.000 0.292 203 C C 1.353 176.337 174.990 -0.009 0.000 1.435 203 C CA -0.001 59.010 59.018 -0.013 0.000 1.791 203 C CB -0.781 26.950 27.740 -0.014 0.000 1.784 203 C HN 0.533 8.763 8.230 -0.000 0.000 0.548 204 N N 0.686 119.379 118.700 -0.011 0.000 2.336 204 N HA 0.289 5.035 4.740 0.009 0.000 0.189 204 N C 0.213 175.712 175.510 -0.017 0.000 1.113 204 N CA 0.413 53.453 53.050 -0.017 0.000 0.858 204 N CB 0.290 38.764 38.487 -0.022 0.000 0.970 204 N HN 0.600 8.980 8.380 -0.000 0.000 0.471 205 L N -0.593 120.632 121.223 0.003 0.000 2.322 205 L HA 0.527 4.872 4.340 0.009 0.000 0.269 205 L C 0.295 177.189 176.870 0.039 0.000 1.012 205 L CA -0.407 54.448 54.840 0.024 0.000 0.815 205 L CB 2.169 44.259 42.059 0.052 0.000 1.295 205 L HN -0.205 8.025 8.230 -0.000 0.000 0.438 206 T N -0.103 114.490 114.554 0.065 0.000 2.802 206 T HA 0.185 4.541 4.350 0.009 0.000 0.311 206 T C -1.483 173.276 174.700 0.099 0.000 1.405 206 T CA -0.524 61.619 62.100 0.071 0.000 1.016 206 T CB 1.972 70.873 68.868 0.055 0.000 1.352 206 T HN 0.640 8.880 8.240 -0.000 0.000 0.498 207 Q N 2.366 122.216 119.800 0.082 0.000 2.293 207 Q HA 0.495 4.841 4.340 0.009 0.000 0.251 207 Q C -0.845 175.197 176.000 0.070 0.000 0.930 207 Q CA -0.614 55.236 55.803 0.078 0.000 0.893 207 Q CB 0.519 29.292 28.738 0.058 0.000 1.215 207 Q HN 0.492 8.762 8.270 -0.000 0.000 0.425 208 I N 4.040 124.648 120.570 0.063 0.000 2.355 208 I HA 0.436 4.611 4.170 0.009 0.000 0.288 208 I C 0.854 176.981 176.117 0.016 0.000 0.999 208 I CA 0.598 61.927 61.300 0.048 0.000 1.163 208 I CB 0.039 38.066 38.000 0.044 0.000 1.316 208 I HN 0.962 9.172 8.210 -0.000 0.000 0.454 209 G N 5.080 113.889 108.800 0.016 0.000 2.642 209 G HA2 -0.040 3.925 3.960 0.009 0.000 0.231 209 G HA3 -0.040 3.925 3.960 0.009 0.000 0.231 209 G C 0.087 174.988 174.900 0.001 0.000 1.338 209 G CA -0.274 44.830 45.100 0.006 0.000 0.883 209 G HN 0.966 9.256 8.290 -0.000 0.000 0.570 210 G N -1.706 107.090 108.800 -0.005 0.000 2.782 210 G HA2 0.679 4.645 3.960 0.009 0.000 0.201 210 G HA3 0.679 4.645 3.960 0.009 0.000 0.201 210 G C -0.637 174.241 174.900 -0.037 0.000 1.374 210 G CA -0.562 44.528 45.100 -0.017 0.000 1.039 210 G HN 0.926 9.216 8.290 -0.000 0.000 0.576 211 L N 0.448 121.638 121.223 -0.054 0.000 2.305 211 L HA 0.377 4.723 4.340 0.009 0.000 0.281 211 L C 1.478 178.284 176.870 -0.106 0.000 1.085 211 L CA 0.067 54.850 54.840 -0.096 0.000 0.813 211 L CB 1.418 43.411 42.059 -0.110 0.000 1.157 211 L HN 0.418 8.648 8.230 -0.000 0.000 0.436 212 I N 1.480 121.944 120.570 -0.178 0.000 2.716 212 I HA -0.048 4.127 4.170 0.009 0.000 0.259 212 I C 0.285 176.230 176.117 -0.287 0.000 1.172 212 I CA 0.641 61.810 61.300 -0.218 0.000 1.478 212 I CB 0.038 37.792 38.000 -0.410 0.000 1.104 212 I HN 0.760 8.970 8.210 -0.000 0.000 0.439 213 D N -1.244 118.935 120.400 -0.369 0.000 2.692 213 D HA 0.224 4.870 4.640 0.009 0.000 0.303 213 D C -0.974 175.168 176.300 -0.263 0.000 1.278 213 D CA -0.513 53.283 54.000 -0.340 0.000 0.852 213 D CB 1.775 42.195 40.800 -0.632 0.000 1.375 213 D HN -0.223 8.147 8.370 -0.000 0.000 0.453 214 S N -1.029 114.543 115.700 -0.212 0.000 2.557 214 S HA 0.687 5.163 4.470 0.009 0.000 0.291 214 S C -0.992 173.492 174.600 -0.195 0.000 1.116 214 S CA -0.639 57.448 58.200 -0.188 0.000 0.992 214 S CB 0.561 63.680 63.200 -0.136 0.000 1.028 214 S HN 0.718 9.028 8.310 -0.000 0.000 0.484 215 K N 2.133 122.396 120.400 -0.230 0.000 2.454 215 K HA 0.817 5.143 4.320 0.009 0.000 0.279 215 K C -0.481 175.938 176.600 -0.302 0.000 1.020 215 K CA -1.167 54.975 56.287 -0.241 0.000 0.850 215 K CB 0.810 33.164 32.500 -0.244 0.000 1.529 215 K HN 0.685 8.935 8.250 -0.000 0.000 0.390 216 G N -0.271 108.333 108.800 -0.327 0.000 2.690 216 G HA2 0.524 4.489 3.960 0.009 0.000 0.291 216 G HA3 0.524 4.489 3.960 0.009 0.000 0.291 216 G C -1.953 172.713 174.900 -0.391 0.000 1.403 216 G CA -0.863 43.997 45.100 -0.400 0.000 0.864 216 G HN 0.417 8.707 8.290 -0.000 0.000 0.480 217 Y N -0.372 119.628 120.300 -0.499 0.000 2.334 217 Y HA 0.603 5.159 4.550 0.009 0.000 0.328 217 Y C 0.943 176.327 175.900 -0.859 0.000 1.130 217 Y CA -0.481 57.224 58.100 -0.657 0.000 1.163 217 Y CB 2.410 40.357 38.460 -0.856 0.000 1.207 217 Y HN 0.753 9.033 8.280 -0.000 0.000 0.471 218 G N 0.981 109.662 108.800 -0.198 0.000 2.694 218 G HA2 0.500 4.465 3.960 0.009 0.000 0.290 218 G HA3 0.500 4.465 3.960 0.009 0.000 0.290 218 G C -1.814 173.340 174.900 0.424 0.000 1.386 218 G CA -0.769 44.380 45.100 0.083 0.000 0.872 218 G HN 0.410 8.700 8.290 -0.000 0.000 0.475 219 V N 0.475 120.650 119.914 0.435 0.000 2.530 219 V HA 0.563 4.689 4.120 0.009 0.000 0.282 219 V C 1.187 177.357 176.094 0.127 0.000 1.048 219 V CA 0.286 62.751 62.300 0.275 0.000 0.997 219 V CB 1.067 32.993 31.823 0.173 0.000 0.987 219 V HN 0.949 9.139 8.190 -0.000 0.000 0.477 220 G N 3.144 111.926 108.800 -0.030 0.000 2.412 220 G HA2 0.686 4.651 3.960 0.009 0.000 0.318 220 G HA3 0.686 4.651 3.960 0.009 0.000 0.318 220 G C -0.207 174.545 174.900 -0.247 0.000 1.146 220 G CA 0.040 44.949 45.100 -0.318 0.000 0.882 220 G HN 0.895 9.185 8.290 -0.000 0.000 0.501 221 T N -0.836 113.544 114.554 -0.290 0.000 2.843 221 T HA 0.672 5.027 4.350 0.009 0.000 0.302 221 T C -3.234 171.340 174.700 -0.211 0.000 1.232 221 T CA -1.705 60.272 62.100 -0.204 0.000 1.009 221 T CB 2.272 71.066 68.868 -0.123 0.000 1.254 221 T HN 0.248 8.488 8.240 -0.000 0.000 0.504 222 P HA 0.213 4.633 4.420 -0.000 0.000 0.269 222 P C -0.057 177.190 177.300 -0.089 0.000 1.209 222 P CA -0.518 62.516 63.100 -0.109 0.000 0.776 222 P CB 0.281 31.901 31.700 -0.134 0.000 0.876 223 M N 2.490 122.048 119.600 -0.071 0.000 2.248 223 M HA 0.175 4.661 4.480 0.009 0.000 0.343 223 M C 1.252 177.536 176.300 -0.027 0.000 1.243 223 M CA 1.964 57.225 55.300 -0.064 0.000 1.025 223 M CB -0.803 31.759 32.600 -0.062 0.000 1.759 223 M HN 0.738 9.028 8.290 -0.000 0.000 0.452 224 G N 2.444 111.224 108.800 -0.033 0.000 2.179 224 G HA2 -0.266 3.700 3.960 0.009 0.000 0.260 224 G HA3 -0.266 3.700 3.960 0.009 0.000 0.260 224 G C 0.249 175.131 174.900 -0.030 0.000 0.977 224 G CA 0.457 45.544 45.100 -0.022 0.000 0.641 224 G HN 0.942 9.232 8.290 -0.000 0.000 0.533 225 S N 1.522 117.198 115.700 -0.040 0.000 2.546 225 S HA 0.401 4.877 4.470 0.009 0.000 0.290 225 S C 0.223 174.798 174.600 -0.040 0.000 1.290 225 S CA -0.059 58.118 58.200 -0.037 0.000 1.069 225 S CB 1.129 64.316 63.200 -0.023 0.000 0.846 225 S HN 0.274 8.584 8.310 -0.000 0.000 0.495 226 P HA -0.037 4.383 4.420 -0.000 0.000 0.233 226 P C 0.483 177.672 177.300 -0.184 0.000 1.167 226 P CA 0.809 63.816 63.100 -0.155 0.000 0.770 226 P CB -0.033 31.529 31.700 -0.230 0.000 0.837 227 Y N 0.273 120.532 120.300 -0.069 0.000 2.395 227 Y HA 0.004 4.559 4.550 0.008 0.000 0.293 227 Y C 2.875 178.748 175.900 -0.044 0.000 1.123 227 Y CA 0.620 58.679 58.100 -0.069 0.000 1.227 227 Y CB -0.621 37.758 38.460 -0.136 0.000 1.012 227 Y HN -0.172 8.108 8.280 -0.000 0.000 0.552 228 R N 0.974 121.530 120.500 0.092 0.000 2.094 228 R HA -0.191 4.155 4.340 0.009 0.000 0.239 228 R C 1.187 177.527 176.300 0.066 0.000 1.137 228 R CA 2.209 58.345 56.100 0.061 0.000 0.943 228 R CB -0.590 29.725 30.300 0.024 0.000 0.850 228 R HN 0.315 8.585 8.270 -0.000 0.000 0.433 229 D N 0.368 120.794 120.400 0.043 0.000 2.178 229 D HA -0.101 4.544 4.640 0.009 0.000 0.202 229 D C 1.887 178.220 176.300 0.055 0.000 0.974 229 D CA 1.000 55.025 54.000 0.042 0.000 0.841 229 D CB 0.009 40.821 40.800 0.019 0.000 0.953 229 D HN 0.344 8.714 8.370 -0.000 0.000 0.478 230 K N 0.367 120.805 120.400 0.063 0.000 2.057 230 K HA -0.016 4.309 4.320 0.009 0.000 0.206 230 K C 2.293 178.964 176.600 0.118 0.000 1.050 230 K CA 0.590 56.929 56.287 0.087 0.000 0.935 230 K CB 0.062 32.627 32.500 0.107 0.000 0.715 230 K HN 0.150 8.400 8.250 -0.000 0.000 0.439 231 I N 0.955 121.607 120.570 0.136 0.000 2.315 231 I HA -0.246 3.930 4.170 0.009 0.000 0.248 231 I C 2.173 178.359 176.117 0.115 0.000 1.117 231 I CA 1.144 62.523 61.300 0.132 0.000 1.404 231 I CB -0.386 37.685 38.000 0.119 0.000 1.071 231 I HN 0.175 8.385 8.210 -0.000 0.000 0.419 232 T N 1.204 115.820 114.554 0.104 0.000 2.746 232 T HA -0.129 4.226 4.350 0.009 0.000 0.267 232 T C 1.926 176.676 174.700 0.084 0.000 1.039 232 T CA 1.360 63.519 62.100 0.098 0.000 1.142 232 T CB -0.212 68.705 68.868 0.082 0.000 0.866 232 T HN 0.237 8.477 8.240 -0.000 0.000 0.444 233 I N 1.192 121.805 120.570 0.073 0.000 2.163 233 I HA -0.221 3.954 4.170 0.009 0.000 0.243 233 I C 2.900 179.055 176.117 0.063 0.000 1.085 233 I CA 1.217 62.553 61.300 0.061 0.000 1.347 233 I CB -0.516 37.516 38.000 0.053 0.000 1.044 233 I HN 0.204 8.414 8.210 -0.000 0.000 0.408 234 A N 1.136 124.000 122.820 0.073 0.000 1.877 234 A HA -0.186 4.140 4.320 0.009 0.000 0.216 234 A C 2.298 179.920 177.584 0.063 0.000 1.186 234 A CA 1.559 53.634 52.037 0.063 0.000 0.620 234 A CB -0.841 18.201 19.000 0.071 0.000 0.822 234 A HN 0.375 8.525 8.150 -0.000 0.000 0.443 235 I N -0.185 120.436 120.570 0.086 0.000 2.226 235 I HA -0.268 3.907 4.170 0.009 0.000 0.245 235 I C 2.323 178.500 176.117 0.101 0.000 1.100 235 I CA 1.190 62.556 61.300 0.109 0.000 1.374 235 I CB -0.371 37.731 38.000 0.169 0.000 1.057 235 I HN 0.300 8.510 8.210 -0.000 0.000 0.413 236 L N 0.081 121.356 121.223 0.086 0.000 2.131 236 L HA -0.241 4.105 4.340 0.009 0.000 0.210 236 L C 2.651 179.556 176.870 0.059 0.000 1.092 236 L CA 1.303 56.185 54.840 0.071 0.000 0.759 236 L CB -0.638 41.456 42.059 0.058 0.000 0.903 236 L HN 0.392 8.622 8.230 -0.000 0.000 0.435 237 Q N 0.662 120.494 119.800 0.053 0.000 2.046 237 Q HA -0.185 4.160 4.340 0.009 0.000 0.200 237 Q C 2.387 178.413 176.000 0.043 0.000 0.975 237 Q CA 1.378 57.206 55.803 0.042 0.000 0.836 237 Q CB -0.012 28.747 28.738 0.035 0.000 0.896 237 Q HN 0.496 8.766 8.270 -0.000 0.000 0.428 238 L N 0.492 121.743 121.223 0.048 0.000 2.083 238 L HA -0.210 4.135 4.340 0.009 0.000 0.209 238 L C 2.748 179.659 176.870 0.070 0.000 1.083 238 L CA 1.496 56.364 54.840 0.048 0.000 0.752 238 L CB -0.451 41.630 42.059 0.037 0.000 0.899 238 L HN 0.415 8.645 8.230 -0.000 0.000 0.433 239 Q N 0.332 120.182 119.800 0.083 0.000 2.046 239 Q HA -0.268 4.077 4.340 0.009 0.000 0.200 239 Q C 2.153 178.194 176.000 0.070 0.000 0.975 239 Q CA 1.792 57.652 55.803 0.095 0.000 0.836 239 Q CB 0.005 28.802 28.738 0.098 0.000 0.896 239 Q HN 0.473 8.743 8.270 -0.000 0.000 0.428 240 E N 0.257 120.489 120.200 0.053 0.000 2.110 240 E HA -0.217 4.138 4.350 0.009 0.000 0.193 240 E C 1.542 178.160 176.600 0.030 0.000 0.988 240 E CA 1.383 57.805 56.400 0.036 0.000 0.804 240 E CB 0.043 29.761 29.700 0.031 0.000 0.745 240 E HN 0.574 8.934 8.360 -0.000 0.000 0.458 241 E N -0.970 119.250 120.200 0.034 0.000 2.502 241 E HA 0.014 4.370 4.350 0.009 0.000 0.194 241 E C 1.114 177.734 176.600 0.033 0.000 1.062 241 E CA 0.599 57.016 56.400 0.028 0.000 0.867 241 E CB 0.315 30.032 29.700 0.027 0.000 0.888 241 E HN 0.311 8.671 8.360 -0.000 0.000 0.510 242 G N 2.050 110.879 108.800 0.049 0.000 2.159 242 G HA2 -0.370 3.595 3.960 0.009 0.000 0.256 242 G HA3 -0.370 3.595 3.960 0.009 0.000 0.256 242 G C 0.981 175.950 174.900 0.115 0.000 0.977 242 G CA 0.538 45.679 45.100 0.069 0.000 0.652 242 G HN 0.304 8.594 8.290 -0.000 0.000 0.531 243 K N 0.553 121.008 120.400 0.092 0.000 2.097 243 K HA 0.214 4.539 4.320 0.009 0.000 0.205 243 K C 2.496 179.167 176.600 0.118 0.000 1.050 243 K CA 1.705 58.045 56.287 0.088 0.000 0.938 243 K CB -0.444 32.086 32.500 0.049 0.000 0.718 243 K HN 0.485 8.735 8.250 -0.000 0.000 0.442 244 L N -0.085 121.222 121.223 0.140 0.000 2.093 244 L HA -0.180 4.165 4.340 0.009 0.000 0.208 244 L C 2.642 179.664 176.870 0.254 0.000 1.085 244 L CA 1.431 56.390 54.840 0.198 0.000 0.755 244 L CB -0.690 41.507 42.059 0.229 0.000 0.904 244 L HN 0.432 8.662 8.230 -0.000 0.000 0.435 245 H N 0.365 119.513 119.070 0.130 0.000 2.357 245 H HA -0.195 4.367 4.556 0.009 0.000 0.301 245 H C 2.238 177.640 175.328 0.122 0.000 1.082 245 H CA 1.836 57.947 56.048 0.105 0.000 1.342 245 H CB 0.071 29.871 29.762 0.063 0.000 1.389 245 H HN 0.275 8.555 8.280 -0.000 0.000 0.511 246 M N -0.141 119.618 119.600 0.265 0.000 2.159 246 M HA -0.163 4.323 4.480 0.009 0.000 0.263 246 M C 2.221 178.625 176.300 0.174 0.000 1.063 246 M CA 1.493 56.912 55.300 0.198 0.000 1.110 246 M CB 0.003 32.694 32.600 0.152 0.000 1.374 246 M HN 0.244 8.534 8.290 -0.000 0.000 0.411 247 M N -0.329 119.402 119.600 0.219 0.000 2.175 247 M HA -0.191 4.294 4.480 0.009 0.000 0.264 247 M C 2.089 178.752 176.300 0.604 0.000 1.063 247 M CA 1.492 57.000 55.300 0.346 0.000 1.119 247 M CB -0.309 32.378 32.600 0.146 0.000 1.377 247 M HN 0.113 8.403 8.290 -0.000 0.000 0.415 248 K N 0.649 121.320 120.400 0.452 0.000 2.025 248 K HA -0.140 4.185 4.320 0.009 0.000 0.207 248 K C 1.801 178.574 176.600 0.288 0.000 1.049 248 K CA 1.411 57.861 56.287 0.271 0.000 0.933 248 K CB -0.083 32.315 32.500 -0.170 0.000 0.714 248 K HN 0.109 8.359 8.250 -0.000 0.000 0.438 249 E N 0.832 121.089 120.200 0.095 0.000 2.118 249 E HA -0.218 4.137 4.350 0.009 0.000 0.195 249 E C 1.880 178.570 176.600 0.150 0.000 0.992 249 E CA 1.143 57.600 56.400 0.096 0.000 0.804 249 E CB -0.172 29.548 29.700 0.034 0.000 0.741 249 E HN 0.439 8.799 8.360 -0.000 0.000 0.458 250 K N -0.271 120.202 120.400 0.120 0.000 2.026 250 K HA -0.159 4.166 4.320 0.009 0.000 0.208 250 K C 1.754 178.237 176.600 -0.195 0.000 1.048 250 K CA 1.407 57.643 56.287 -0.085 0.000 0.929 250 K CB -0.176 32.206 32.500 -0.197 0.000 0.713 250 K HN 0.103 8.353 8.250 -0.000 0.000 0.439 251 W N -0.968 120.510 121.300 0.297 0.000 3.003 251 W HA 0.082 4.748 4.660 0.011 0.000 0.257 251 W C 1.778 178.392 176.519 0.157 0.000 1.308 251 W CA -0.541 56.921 57.345 0.195 0.000 1.529 251 W CB 0.132 29.685 29.460 0.155 0.000 1.115 251 W HN 0.191 8.371 8.180 -0.000 0.000 0.659 252 W N -0.524 120.935 121.300 0.265 0.000 2.699 252 W HA 0.151 4.816 4.660 0.008 0.000 0.267 252 W C 1.061 177.670 176.519 0.149 0.000 1.182 252 W CA 0.119 57.635 57.345 0.285 0.000 1.453 252 W CB 0.005 29.574 29.460 0.180 0.000 1.054 252 W HN -0.460 7.720 8.180 -0.000 0.000 0.595 253 R N 0.000 120.673 120.500 0.288 0.000 2.786 253 R HA 0.000 4.345 4.340 0.009 0.000 0.208 253 R CA 0.000 56.182 56.100 0.137 0.000 0.921 253 R CB 0.000 30.339 30.300 0.065 0.000 0.687 253 R HN 0.000 8.270 8.270 -0.000 0.000 0.535