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 2fhy_1_A DATA FIRST_RESID 9 DATA SEQUENCE DVNTLTRFVM EEGRKARGTG ELTQLLNSLC TAVKAISSAV RKAGIAHLYG DATA SEQUENCE IAGSXXXXXX XXXKLDVLSN DLVMNMLKSS FATCVLVSEE DKHAIIVEPE DATA SEQUENCE KRGKYVVCFD PLDGSSNIDC LVSVGTIFGI YRKKSTDEPS EKDALQPGRN DATA SEQUENCE LVAAGYALYG SATMLVLAMD CGVNCFMLDP AIGEFILVDK DVKIKKKGKI DATA SEQUENCE YSLNEGYAKD FDPAVTEYIQ RKKFPPDNSA PYGARYVGSM VADVHRTLVY DATA SEQUENCE GGIFLYPANK KSPNGKLRLL YECNPMAYVM EKAGGMATTG KEAVLDVIPT DATA SEQUENCE DIHQRAPVIL GSPDDVLEFL KVYEKHS 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 9 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 9 D C 0.000 176.319 176.300 0.032 0.000 2.045 9 D CA 0.000 54.013 54.000 0.022 0.000 0.868 9 D CB 0.000 40.814 40.800 0.024 0.000 0.688 10 V N 3.635 123.568 119.914 0.032 0.000 2.790 10 V HA 0.168 4.288 4.120 0.001 0.000 0.304 10 V C -0.215 175.921 176.094 0.069 0.000 1.142 10 V CA 0.849 63.175 62.300 0.044 0.000 1.282 10 V CB 0.368 32.214 31.823 0.039 0.000 0.877 10 V HN 0.652 8.842 8.190 -0.000 0.000 0.504 11 N N 2.474 121.229 118.700 0.093 0.000 2.396 11 N HA 0.585 5.326 4.740 0.001 0.000 0.275 11 N C -0.844 174.787 175.510 0.202 0.000 1.218 11 N CA 0.123 53.263 53.050 0.149 0.000 0.812 11 N CB 2.647 41.247 38.487 0.188 0.000 1.592 11 N HN 0.882 9.262 8.380 -0.000 0.000 0.480 12 T N -0.958 113.739 114.554 0.238 0.000 2.930 12 T HA 0.342 4.693 4.350 0.001 0.000 0.290 12 T C 1.225 176.073 174.700 0.248 0.000 1.052 12 T CA -0.677 61.575 62.100 0.253 0.000 1.017 12 T CB 1.291 70.247 68.868 0.148 0.000 1.137 12 T HN 0.250 8.490 8.240 -0.000 0.000 0.511 13 L N 1.238 122.442 121.223 -0.031 0.000 2.042 13 L HA -0.004 4.337 4.340 0.001 0.000 0.210 13 L C 2.359 179.141 176.870 -0.147 0.000 1.076 13 L CA 2.285 56.760 54.840 -0.609 0.000 0.749 13 L CB -1.571 39.973 42.059 -0.858 0.000 0.893 13 L HN 0.954 9.184 8.230 -0.000 0.000 0.432 14 T N -0.597 113.935 114.554 -0.037 0.000 2.698 14 T HA -0.188 4.163 4.350 0.001 0.000 0.260 14 T C 1.941 176.667 174.700 0.044 0.000 1.044 14 T CA 1.553 63.650 62.100 -0.004 0.000 1.149 14 T CB -0.268 68.602 68.868 0.004 0.000 0.864 14 T HN 0.337 8.577 8.240 -0.000 0.000 0.419 15 R N 0.391 120.940 120.500 0.081 0.000 2.103 15 R HA -0.129 4.212 4.340 0.001 0.000 0.242 15 R C 2.143 178.509 176.300 0.109 0.000 1.142 15 R CA 1.680 57.831 56.100 0.086 0.000 0.960 15 R CB -0.694 29.670 30.300 0.106 0.000 0.858 15 R HN 0.423 8.693 8.270 -0.000 0.000 0.439 16 F N -0.033 119.948 119.950 0.051 0.000 2.134 16 F HA -0.127 4.401 4.527 0.002 0.000 0.299 16 F C 1.797 177.618 175.800 0.035 0.000 1.097 16 F CA 1.454 59.504 58.000 0.085 0.000 1.264 16 F CB -0.319 38.819 39.000 0.229 0.000 1.001 16 F HN -0.125 8.175 8.300 -0.000 0.000 0.479 17 V N 1.899 121.853 119.914 0.066 0.000 2.379 17 V HA -0.307 3.814 4.120 0.001 0.000 0.245 17 V C 2.393 178.406 176.094 -0.134 0.000 1.044 17 V CA 2.058 64.316 62.300 -0.070 0.000 1.036 17 V CB -0.626 31.196 31.823 -0.001 0.000 0.664 17 V HN 0.585 8.775 8.190 -0.000 0.000 0.453 18 M N -1.461 118.090 119.600 -0.082 0.000 2.619 18 M HA 0.044 4.524 4.480 0.001 0.000 0.251 18 M C 1.543 177.790 176.300 -0.089 0.000 1.106 18 M CA 1.522 56.779 55.300 -0.071 0.000 1.086 18 M CB -0.402 32.175 32.600 -0.038 0.000 1.465 18 M HN 0.233 8.523 8.290 -0.000 0.000 0.506 19 E N 0.781 120.898 120.200 -0.138 0.000 2.190 19 E HA -0.057 4.294 4.350 0.001 0.000 0.191 19 E C 1.812 178.304 176.600 -0.180 0.000 0.978 19 E CA 0.416 56.733 56.400 -0.138 0.000 0.839 19 E CB 0.268 29.886 29.700 -0.137 0.000 0.787 19 E HN 0.502 8.862 8.360 -0.000 0.000 0.473 20 E N 0.234 120.265 120.200 -0.282 0.000 2.046 20 E HA -0.078 4.273 4.350 0.001 0.000 0.190 20 E C 2.126 178.648 176.600 -0.130 0.000 0.982 20 E CA 0.973 57.225 56.400 -0.247 0.000 0.800 20 E CB -0.425 29.068 29.700 -0.345 0.000 0.756 20 E HN 0.287 8.647 8.360 -0.000 0.000 0.449 21 G N 1.031 109.763 108.800 -0.113 0.000 2.418 21 G HA2 -0.293 3.668 3.960 0.001 0.000 0.217 21 G HA3 -0.293 3.668 3.960 0.001 0.000 0.217 21 G C 1.752 176.626 174.900 -0.043 0.000 1.158 21 G CA 0.761 45.825 45.100 -0.060 0.000 0.771 21 G HN 0.197 8.487 8.290 -0.000 0.000 0.545 22 R N 0.463 120.931 120.500 -0.052 0.000 2.148 22 R HA 0.056 4.397 4.340 0.001 0.000 0.223 22 R C 2.373 178.652 176.300 -0.034 0.000 1.088 22 R CA 1.373 57.451 56.100 -0.036 0.000 0.985 22 R CB -0.148 30.131 30.300 -0.036 0.000 0.880 22 R HN 0.367 8.637 8.270 -0.000 0.000 0.451 23 K N -0.355 120.016 120.400 -0.048 0.000 2.137 23 K HA 0.016 4.337 4.320 0.001 0.000 0.202 23 K C 1.208 177.792 176.600 -0.026 0.000 1.052 23 K CA 1.106 57.369 56.287 -0.039 0.000 0.961 23 K CB 0.092 32.560 32.500 -0.054 0.000 0.741 23 K HN 0.179 8.429 8.250 -0.000 0.000 0.452 24 A N 1.325 124.129 122.820 -0.027 0.000 2.276 24 A HA 0.072 4.393 4.320 0.001 0.000 0.212 24 A C 0.465 178.048 177.584 -0.003 0.000 1.230 24 A CA -0.030 52.000 52.037 -0.010 0.000 0.844 24 A CB -0.501 18.496 19.000 -0.006 0.000 0.860 24 A HN 0.485 8.635 8.150 -0.000 0.000 0.486 25 R N -0.888 119.607 120.500 -0.008 0.000 3.358 25 R HA -0.203 4.138 4.340 0.001 0.000 0.248 25 R C 0.761 177.064 176.300 0.004 0.000 0.981 25 R CA 0.303 56.401 56.100 -0.003 0.000 0.662 25 R CB -1.712 28.587 30.300 -0.001 0.000 1.037 25 R HN 0.694 8.964 8.270 -0.000 0.000 0.460 26 G N -1.116 107.688 108.800 0.007 0.000 2.535 26 G HA2 0.157 4.118 3.960 0.001 0.000 0.282 26 G HA3 0.157 4.118 3.960 0.001 0.000 0.282 26 G C 0.933 175.846 174.900 0.023 0.000 1.350 26 G CA 0.143 45.255 45.100 0.021 0.000 1.039 26 G HN 0.233 8.523 8.290 -0.000 0.000 0.509 27 T N -0.417 114.160 114.554 0.038 0.000 2.698 27 T HA 0.225 4.576 4.350 0.001 0.000 0.260 27 T C 1.849 176.570 174.700 0.036 0.000 1.044 27 T CA 2.112 64.235 62.100 0.038 0.000 1.149 27 T CB -0.334 68.566 68.868 0.054 0.000 0.864 27 T HN 1.722 9.962 8.240 -0.000 0.000 0.419 28 G N 0.235 109.064 108.800 0.047 0.000 2.227 28 G HA2 -0.166 3.795 3.960 0.001 0.000 0.168 28 G HA3 -0.166 3.795 3.960 0.001 0.000 0.168 28 G C 0.661 175.592 174.900 0.051 0.000 1.006 28 G CA 0.528 45.647 45.100 0.031 0.000 0.684 28 G HN 0.467 8.757 8.290 -0.000 0.000 0.489 29 E N -0.371 119.893 120.200 0.106 0.000 2.072 29 E HA -0.023 4.328 4.350 0.001 0.000 0.191 29 E C 2.444 179.116 176.600 0.120 0.000 0.985 29 E CA 1.418 57.919 56.400 0.169 0.000 0.801 29 E CB -0.062 29.803 29.700 0.274 0.000 0.750 29 E HN 0.461 8.821 8.360 -0.000 0.000 0.452 30 L N 0.686 121.945 121.223 0.061 0.000 2.046 30 L HA -0.149 4.192 4.340 0.001 0.000 0.208 30 L C 2.182 178.943 176.870 -0.182 0.000 1.077 30 L CA 1.982 56.662 54.840 -0.267 0.000 0.747 30 L CB -0.794 41.120 42.059 -0.241 0.000 0.896 30 L HN 0.099 8.329 8.230 -0.000 0.000 0.432 31 T N -0.789 113.713 114.554 -0.087 0.000 2.652 31 T HA -0.249 4.102 4.350 0.001 0.000 0.267 31 T C 1.836 176.485 174.700 -0.084 0.000 1.039 31 T CA 1.855 63.906 62.100 -0.081 0.000 1.153 31 T CB -0.232 68.606 68.868 -0.049 0.000 0.863 31 T HN 0.453 8.693 8.240 -0.000 0.000 0.428 32 Q N 0.047 119.818 119.800 -0.049 0.000 2.096 32 Q HA -0.084 4.257 4.340 0.001 0.000 0.204 32 Q C 2.366 178.314 176.000 -0.087 0.000 0.982 32 Q CA 0.998 56.776 55.803 -0.042 0.000 0.850 32 Q CB -0.322 28.424 28.738 0.013 0.000 0.901 32 Q HN 0.308 8.578 8.270 -0.000 0.000 0.422 33 L N 0.884 122.041 121.223 -0.111 0.000 1.970 33 L HA -0.222 4.119 4.340 0.001 0.000 0.212 33 L C 2.062 178.791 176.870 -0.235 0.000 1.071 33 L CA 1.802 56.539 54.840 -0.172 0.000 0.751 33 L CB -1.018 40.899 42.059 -0.236 0.000 0.889 33 L HN 0.359 8.589 8.230 -0.000 0.000 0.432 34 L N 0.127 121.200 121.223 -0.250 0.000 2.012 34 L HA -0.290 4.051 4.340 0.001 0.000 0.210 34 L C 2.574 179.296 176.870 -0.246 0.000 1.073 34 L CA 1.858 56.528 54.840 -0.282 0.000 0.748 34 L CB -0.914 41.009 42.059 -0.227 0.000 0.891 34 L HN 0.520 8.750 8.230 -0.000 0.000 0.431 35 N N 0.022 118.618 118.700 -0.174 0.000 2.104 35 N HA -0.193 4.548 4.740 0.001 0.000 0.190 35 N C 1.797 177.224 175.510 -0.138 0.000 1.024 35 N CA 2.016 54.986 53.050 -0.134 0.000 0.853 35 N CB 0.080 38.513 38.487 -0.090 0.000 1.008 35 N HN 0.239 8.619 8.380 -0.000 0.000 0.424 36 S N 0.855 116.462 115.700 -0.155 0.000 2.382 36 S HA -0.087 4.384 4.470 0.001 0.000 0.228 36 S C 1.899 176.381 174.600 -0.197 0.000 1.027 36 S CA 0.480 58.584 58.200 -0.160 0.000 0.991 36 S CB -0.259 62.840 63.200 -0.168 0.000 0.823 36 S HN 0.258 8.568 8.310 -0.000 0.000 0.469 37 L N 1.290 122.352 121.223 -0.268 0.000 2.093 37 L HA -0.057 4.284 4.340 0.001 0.000 0.208 37 L C 2.542 179.263 176.870 -0.249 0.000 1.085 37 L CA 1.383 56.017 54.840 -0.343 0.000 0.755 37 L CB -0.863 40.863 42.059 -0.556 0.000 0.904 37 L HN 0.506 8.736 8.230 -0.000 0.000 0.435 38 C N -1.180 117.992 119.300 -0.214 0.000 2.413 38 C HA -0.193 4.268 4.460 0.001 0.000 0.276 38 C C 2.740 177.751 174.990 0.035 0.000 1.236 38 C CA 1.691 60.652 59.018 -0.095 0.000 1.735 38 C CB -1.031 26.649 27.740 -0.100 0.000 2.031 38 C HN 0.637 8.867 8.230 -0.000 0.000 0.474 39 T N 1.038 115.575 114.554 -0.028 0.000 2.708 39 T HA -0.091 4.260 4.350 0.001 0.000 0.266 39 T C 2.183 176.870 174.700 -0.022 0.000 1.037 39 T CA 1.944 64.032 62.100 -0.020 0.000 1.146 39 T CB -0.705 68.132 68.868 -0.053 0.000 0.865 39 T HN 0.737 8.977 8.240 -0.000 0.000 0.435 40 A N 1.096 123.879 122.820 -0.063 0.000 1.917 40 A HA -0.121 4.199 4.320 0.001 0.000 0.219 40 A C 2.593 180.174 177.584 -0.005 0.000 1.182 40 A CA 1.828 53.826 52.037 -0.065 0.000 0.633 40 A CB -1.177 17.745 19.000 -0.130 0.000 0.819 40 A HN 0.371 8.521 8.150 -0.000 0.000 0.448 41 V N 0.153 120.097 119.914 0.049 0.000 2.287 41 V HA -0.304 3.817 4.120 0.001 0.000 0.248 41 V C 2.435 178.641 176.094 0.188 0.000 1.053 41 V CA 2.387 64.803 62.300 0.192 0.000 1.027 41 V CB -0.762 31.215 31.823 0.258 0.000 0.646 41 V HN 0.547 8.737 8.190 -0.000 0.000 0.447 42 K N 0.248 120.736 120.400 0.146 0.000 2.103 42 K HA -0.147 4.174 4.320 0.001 0.000 0.207 42 K C 2.292 178.876 176.600 -0.027 0.000 1.048 42 K CA 1.517 57.825 56.287 0.036 0.000 0.930 42 K CB -0.393 32.098 32.500 -0.015 0.000 0.716 42 K HN 0.500 8.750 8.250 -0.000 0.000 0.444 43 A N 1.283 124.086 122.820 -0.028 0.000 1.929 43 A HA -0.093 4.228 4.320 0.001 0.000 0.216 43 A C 2.086 179.617 177.584 -0.088 0.000 1.176 43 A CA 1.060 53.064 52.037 -0.055 0.000 0.628 43 A CB -0.409 18.561 19.000 -0.049 0.000 0.816 43 A HN 0.143 8.293 8.150 -0.000 0.000 0.444 44 I N -0.747 119.765 120.570 -0.098 0.000 2.202 44 I HA -0.197 3.974 4.170 0.001 0.000 0.242 44 I C 2.831 178.706 176.117 -0.405 0.000 1.091 44 I CA 1.419 62.600 61.300 -0.198 0.000 1.368 44 I CB -0.258 37.658 38.000 -0.140 0.000 1.058 44 I HN 0.413 8.623 8.210 -0.000 0.000 0.410 45 S N -0.025 115.422 115.700 -0.421 0.000 2.370 45 S HA -0.262 4.209 4.470 0.001 0.000 0.226 45 S C 2.278 176.736 174.600 -0.236 0.000 1.033 45 S CA 2.174 60.109 58.200 -0.442 0.000 1.011 45 S CB -0.372 62.800 63.200 -0.047 0.000 0.852 45 S HN 0.461 8.771 8.310 -0.000 0.000 0.457 46 S N 0.453 116.062 115.700 -0.153 0.000 2.368 46 S HA 0.013 4.484 4.470 0.001 0.000 0.225 46 S C 2.058 176.597 174.600 -0.101 0.000 1.030 46 S CA 1.418 59.557 58.200 -0.102 0.000 0.999 46 S CB -0.751 62.403 63.200 -0.077 0.000 0.844 46 S HN 0.727 9.037 8.310 -0.000 0.000 0.459 47 A N 0.629 123.375 122.820 -0.123 0.000 1.929 47 A HA 0.065 4.386 4.320 0.001 0.000 0.216 47 A C 2.283 179.804 177.584 -0.106 0.000 1.176 47 A CA 1.493 53.472 52.037 -0.096 0.000 0.628 47 A CB -0.867 18.078 19.000 -0.091 0.000 0.816 47 A HN 0.447 8.597 8.150 -0.000 0.000 0.444 48 V N -0.162 119.644 119.914 -0.181 0.000 2.490 48 V HA -0.190 3.931 4.120 0.001 0.000 0.250 48 V C 2.331 178.372 176.094 -0.088 0.000 1.061 48 V CA 2.045 64.250 62.300 -0.159 0.000 1.064 48 V CB -0.789 30.860 31.823 -0.291 0.000 0.670 48 V HN 0.429 8.619 8.190 -0.000 0.000 0.461 49 R N -0.321 120.127 120.500 -0.087 0.000 2.319 49 R HA 0.143 4.484 4.340 0.001 0.000 0.204 49 R C 0.417 176.695 176.300 -0.036 0.000 0.954 49 R CA -0.075 55.997 56.100 -0.047 0.000 1.066 49 R CB -0.318 29.957 30.300 -0.041 0.000 0.991 49 R HN 0.245 8.515 8.270 -0.000 0.000 0.486 50 K N -1.134 119.245 120.400 -0.035 0.000 3.241 50 K HA -0.195 4.126 4.320 0.001 0.000 0.270 50 K C 0.657 177.250 176.600 -0.012 0.000 1.118 50 K CA 0.664 56.940 56.287 -0.017 0.000 0.792 50 K CB -2.134 30.353 32.500 -0.020 0.000 1.283 50 K HN 0.241 8.491 8.250 -0.000 0.000 0.480 51 A N 0.079 122.889 122.820 -0.016 0.000 1.941 51 A HA -0.166 4.155 4.320 0.001 0.000 0.220 51 A C 1.719 179.317 177.584 0.022 0.000 1.407 51 A CA 2.128 54.161 52.037 -0.006 0.000 0.766 51 A CB -0.774 18.218 19.000 -0.013 0.000 0.838 51 A HN 0.872 9.022 8.150 -0.000 0.000 0.482 52 G N -1.422 107.409 108.800 0.053 0.000 3.959 52 G HA2 0.407 4.368 3.960 0.001 0.000 0.298 52 G HA3 0.407 4.368 3.960 0.001 0.000 0.298 52 G C 0.786 175.765 174.900 0.133 0.000 1.211 52 G CA 0.322 45.495 45.100 0.121 0.000 1.001 52 G HN 0.603 8.893 8.290 -0.000 0.000 0.561 53 I N 0.304 120.921 120.570 0.079 0.000 2.502 53 I HA -0.239 3.931 4.170 0.001 0.000 0.258 53 I C 2.601 178.802 176.117 0.141 0.000 1.172 53 I CA 1.319 62.685 61.300 0.110 0.000 1.430 53 I CB 0.255 38.275 38.000 0.034 0.000 1.086 53 I HN 0.311 8.521 8.210 -0.000 0.000 0.440 54 A N -0.139 122.700 122.820 0.032 0.000 1.972 54 A HA -0.242 4.079 4.320 0.001 0.000 0.219 54 A C 2.077 179.647 177.584 -0.024 0.000 1.169 54 A CA 1.459 53.474 52.037 -0.037 0.000 0.635 54 A CB -0.848 18.061 19.000 -0.151 0.000 0.810 54 A HN 0.575 8.725 8.150 -0.000 0.000 0.446 55 H N -0.932 118.189 119.070 0.084 0.000 2.428 55 H HA -0.004 4.554 4.556 0.002 0.000 0.296 55 H C 1.822 177.192 175.328 0.070 0.000 1.062 55 H CA 1.497 57.582 56.048 0.062 0.000 1.350 55 H CB -0.058 29.723 29.762 0.032 0.000 1.403 55 H HN 0.381 8.661 8.280 -0.000 0.000 0.533 56 L N -0.119 121.233 121.223 0.215 0.000 2.191 56 L HA -0.171 4.170 4.340 0.001 0.000 0.212 56 L C 1.084 177.923 176.870 -0.052 0.000 1.103 56 L CA 1.226 56.118 54.840 0.087 0.000 0.769 56 L CB -0.507 41.612 42.059 0.099 0.000 0.908 56 L HN 0.204 8.434 8.230 -0.000 0.000 0.438 57 Y N -0.085 120.220 120.300 0.007 0.000 2.718 57 Y HA 0.433 4.984 4.550 0.003 0.000 0.322 57 Y C 1.543 177.435 175.900 -0.013 0.000 1.122 57 Y CA -0.434 57.662 58.100 -0.007 0.000 1.348 57 Y CB -0.463 37.986 38.460 -0.018 0.000 1.174 57 Y HN 0.146 8.426 8.280 -0.000 0.000 0.523 58 G N 1.073 109.913 108.800 0.067 0.000 2.338 58 G HA2 -0.335 3.626 3.960 0.001 0.000 0.296 58 G HA3 -0.335 3.626 3.960 0.001 0.000 0.296 58 G C 1.118 176.036 174.900 0.030 0.000 1.040 58 G CA 0.661 45.787 45.100 0.043 0.000 1.004 58 G HN 0.651 8.941 8.290 -0.000 0.000 0.509 59 I N -1.113 119.454 120.570 -0.005 0.000 2.546 59 I HA 0.149 4.320 4.170 0.001 0.000 0.255 59 I C 2.241 178.340 176.117 -0.030 0.000 1.163 59 I CA 1.834 63.094 61.300 -0.067 0.000 1.457 59 I CB 0.048 37.910 38.000 -0.231 0.000 1.092 59 I HN 0.440 8.650 8.210 -0.000 0.000 0.434 60 A N -0.905 121.933 122.820 0.030 0.000 2.469 60 A HA 0.533 4.854 4.320 0.001 0.000 0.245 60 A C 1.229 178.843 177.584 0.051 0.000 1.221 60 A CA 0.539 52.614 52.037 0.064 0.000 0.946 60 A CB 0.428 19.517 19.000 0.149 0.000 1.049 60 A HN 0.503 8.653 8.150 -0.000 0.000 0.529 61 G N -0.529 108.296 108.800 0.042 0.000 3.826 61 G HA2 0.031 3.991 3.960 0.001 0.000 0.194 61 G HA3 0.031 3.991 3.960 0.001 0.000 0.194 61 G C 0.561 175.473 174.900 0.020 0.000 2.087 61 G CA 0.493 45.609 45.100 0.027 0.000 1.230 61 G HN 1.311 9.601 8.290 -0.000 0.000 0.393 73 L N 1.788 123.014 121.223 0.004 0.000 2.375 73 L HA 0.167 4.508 4.340 0.001 0.000 0.215 73 L C 1.552 178.425 176.870 0.005 0.000 1.108 73 L CA 1.635 56.475 54.840 -0.001 0.000 0.830 73 L CB 0.020 42.078 42.059 -0.003 0.000 0.959 73 L HN 0.214 8.444 8.230 -0.000 0.000 0.457 74 D N -0.902 119.504 120.400 0.010 0.000 2.117 74 D HA -0.134 4.507 4.640 0.001 0.000 0.198 74 D C 2.090 178.400 176.300 0.017 0.000 0.982 74 D CA 1.440 55.449 54.000 0.016 0.000 0.828 74 D CB 0.423 41.228 40.800 0.008 0.000 0.967 74 D HN 0.233 8.603 8.370 -0.000 0.000 0.464 75 V N 1.332 121.253 119.914 0.011 0.000 2.270 75 V HA -0.216 3.905 4.120 0.001 0.000 0.245 75 V C 2.633 178.737 176.094 0.016 0.000 1.043 75 V CA 1.163 63.470 62.300 0.012 0.000 1.014 75 V CB -0.601 31.226 31.823 0.006 0.000 0.645 75 V HN 0.184 8.374 8.190 -0.000 0.000 0.447 76 L N 0.645 121.872 121.223 0.006 0.000 2.021 76 L HA -0.203 4.138 4.340 0.001 0.000 0.215 76 L C 2.472 179.344 176.870 0.003 0.000 1.074 76 L CA 2.443 57.282 54.840 -0.001 0.000 0.760 76 L CB -0.945 41.107 42.059 -0.012 0.000 0.889 76 L HN 0.333 8.563 8.230 -0.000 0.000 0.433 77 S N -0.225 115.482 115.700 0.012 0.000 2.359 77 S HA -0.222 4.249 4.470 0.001 0.000 0.224 77 S C 1.821 176.459 174.600 0.064 0.000 1.035 77 S CA 1.560 59.777 58.200 0.029 0.000 1.018 77 S CB -0.735 62.495 63.200 0.051 0.000 0.876 77 S HN 0.634 8.944 8.310 -0.000 0.000 0.448 78 N N 1.485 120.242 118.700 0.094 0.000 2.069 78 N HA -0.131 4.610 4.740 0.001 0.000 0.191 78 N C 1.217 176.796 175.510 0.115 0.000 1.031 78 N CA 1.602 54.752 53.050 0.166 0.000 0.852 78 N CB -0.280 38.274 38.487 0.111 0.000 1.018 78 N HN 0.228 8.608 8.380 -0.000 0.000 0.423 79 D N 0.064 120.497 120.400 0.054 0.000 2.117 79 D HA -0.126 4.514 4.640 0.001 0.000 0.197 79 D C 2.051 178.346 176.300 -0.009 0.000 0.987 79 D CA 0.646 54.661 54.000 0.024 0.000 0.829 79 D CB -0.300 40.505 40.800 0.009 0.000 0.961 79 D HN 0.325 8.695 8.370 -0.000 0.000 0.460 80 L N 0.505 121.716 121.223 -0.021 0.000 1.955 80 L HA -0.191 4.150 4.340 0.001 0.000 0.213 80 L C 2.678 179.487 176.870 -0.102 0.000 1.072 80 L CA 0.946 55.753 54.840 -0.055 0.000 0.755 80 L CB -0.615 41.415 42.059 -0.049 0.000 0.888 80 L HN -0.061 8.169 8.230 -0.000 0.000 0.432 81 V N -0.748 119.084 119.914 -0.137 0.000 2.287 81 V HA -0.360 3.761 4.120 0.001 0.000 0.248 81 V C 2.431 178.338 176.094 -0.312 0.000 1.053 81 V CA 2.082 64.186 62.300 -0.326 0.000 1.027 81 V CB -0.466 31.002 31.823 -0.591 0.000 0.646 81 V HN 0.375 8.565 8.190 -0.000 0.000 0.447 82 M N 0.872 120.404 119.600 -0.114 0.000 2.065 82 M HA -0.199 4.282 4.480 0.001 0.000 0.259 82 M C 2.009 178.281 176.300 -0.048 0.000 1.071 82 M CA 2.541 57.849 55.300 0.012 0.000 1.109 82 M CB -0.855 31.816 32.600 0.118 0.000 1.313 82 M HN 0.450 8.740 8.290 -0.000 0.000 0.408 83 N N -0.792 117.877 118.700 -0.053 0.000 2.058 83 N HA -0.167 4.574 4.740 0.001 0.000 0.191 83 N C 1.543 176.985 175.510 -0.114 0.000 1.037 83 N CA 1.865 54.873 53.050 -0.070 0.000 0.848 83 N CB -0.101 38.351 38.487 -0.059 0.000 1.021 83 N HN 0.239 8.619 8.380 -0.000 0.000 0.422 84 M N 0.067 119.588 119.600 -0.133 0.000 2.202 84 M HA -0.088 4.393 4.480 0.001 0.000 0.262 84 M C 1.881 178.070 176.300 -0.184 0.000 1.063 84 M CA 1.080 56.285 55.300 -0.158 0.000 1.097 84 M CB -0.952 31.552 32.600 -0.160 0.000 1.382 84 M HN 0.307 8.597 8.290 -0.000 0.000 0.413 85 L N -0.947 120.162 121.223 -0.189 0.000 2.162 85 L HA -0.167 4.174 4.340 0.001 0.000 0.205 85 L C 2.351 179.141 176.870 -0.132 0.000 1.086 85 L CA 0.820 55.557 54.840 -0.172 0.000 0.778 85 L CB -0.356 41.592 42.059 -0.186 0.000 0.928 85 L HN 0.256 8.486 8.230 -0.000 0.000 0.446 86 K N -0.228 120.103 120.400 -0.116 0.000 2.057 86 K HA -0.094 4.227 4.320 0.001 0.000 0.207 86 K C 2.116 178.568 176.600 -0.247 0.000 1.049 86 K CA 1.531 57.755 56.287 -0.105 0.000 0.931 86 K CB -0.116 32.345 32.500 -0.065 0.000 0.714 86 K HN 0.137 8.387 8.250 -0.000 0.000 0.440 87 S N 0.911 116.431 115.700 -0.299 0.000 2.474 87 S HA -0.103 4.368 4.470 0.001 0.000 0.235 87 S C 1.954 176.162 174.600 -0.653 0.000 0.997 87 S CA 1.343 59.251 58.200 -0.486 0.000 0.949 87 S CB -0.182 62.839 63.200 -0.297 0.000 0.766 87 S HN 0.414 8.724 8.310 -0.000 0.000 0.517 88 S N 0.875 116.341 115.700 -0.390 0.000 2.461 88 S HA 0.077 4.547 4.470 0.001 0.000 0.228 88 S C 0.783 175.329 174.600 -0.089 0.000 1.005 88 S CA 0.059 58.118 58.200 -0.236 0.000 0.942 88 S CB -0.899 62.225 63.200 -0.126 0.000 0.776 88 S HN 0.522 8.832 8.310 -0.000 0.000 0.514 89 F N -0.260 119.694 119.950 0.006 0.000 3.043 89 F HA -0.257 4.272 4.527 0.002 0.000 0.290 89 F C 1.115 176.940 175.800 0.041 0.000 0.844 89 F CA 0.183 58.194 58.000 0.018 0.000 1.184 89 F CB -1.576 37.431 39.000 0.011 0.000 1.246 89 F HN 0.459 8.759 8.300 -0.000 0.000 0.536 90 A N -0.952 121.982 122.820 0.190 0.000 2.551 90 A HA 0.410 4.731 4.320 0.001 0.000 0.252 90 A C 0.710 178.435 177.584 0.236 0.000 1.199 90 A CA 0.698 52.869 52.037 0.223 0.000 0.972 90 A CB 0.283 19.403 19.000 0.199 0.000 1.153 90 A HN 0.283 8.433 8.150 -0.000 0.000 0.559 91 T N -3.280 111.366 114.554 0.152 0.000 2.912 91 T HA 0.492 4.843 4.350 0.001 0.000 0.288 91 T C 0.630 175.398 174.700 0.114 0.000 1.030 91 T CA -0.065 62.118 62.100 0.138 0.000 1.020 91 T CB 1.460 70.382 68.868 0.090 0.000 1.056 91 T HN 0.750 8.990 8.240 -0.000 0.000 0.480 92 C N 0.305 119.670 119.300 0.107 0.000 3.060 92 C HA 0.622 5.083 4.460 0.001 0.000 0.548 92 C C -0.037 175.003 174.990 0.083 0.000 1.317 92 C CA -0.303 58.764 59.018 0.083 0.000 2.592 92 C CB -0.421 27.355 27.740 0.060 0.000 3.519 92 C HN 0.667 8.897 8.230 -0.000 0.000 0.524 93 V N 2.528 122.502 119.914 0.100 0.000 2.531 93 V HA 0.606 4.727 4.120 0.001 0.000 0.301 93 V C -0.904 175.274 176.094 0.139 0.000 1.034 93 V CA -0.143 62.218 62.300 0.102 0.000 0.865 93 V CB 1.643 33.517 31.823 0.086 0.000 0.995 93 V HN 0.430 8.620 8.190 -0.000 0.000 0.424 94 L N 4.965 126.274 121.223 0.144 0.000 2.381 94 L HA 0.710 5.051 4.340 0.001 0.000 0.274 94 L C -0.757 176.197 176.870 0.140 0.000 0.988 94 L CA -0.732 54.230 54.840 0.203 0.000 0.824 94 L CB 2.226 44.440 42.059 0.260 0.000 1.263 94 L HN 0.357 8.587 8.230 -0.000 0.000 0.410 95 V N 1.880 121.860 119.914 0.110 0.000 2.513 95 V HA 0.641 4.762 4.120 0.001 0.000 0.299 95 V C -0.282 175.615 176.094 -0.327 0.000 1.035 95 V CA -0.268 62.027 62.300 -0.009 0.000 0.889 95 V CB 2.054 33.930 31.823 0.089 0.000 0.988 95 V HN 0.794 8.984 8.190 -0.000 0.000 0.440 96 S N 2.319 117.741 115.700 -0.464 0.000 2.540 96 S HA 0.328 4.799 4.470 0.001 0.000 0.275 96 S C 0.696 174.880 174.600 -0.692 0.000 1.123 96 S CA -0.359 57.256 58.200 -0.976 0.000 0.907 96 S CB 1.908 64.440 63.200 -1.113 0.000 1.081 96 S HN 0.924 9.234 8.310 -0.000 0.000 0.476 97 E N 1.932 121.449 120.200 -1.139 0.000 2.219 97 E HA -0.171 4.180 4.350 0.001 0.000 0.198 97 E C 0.639 177.015 176.600 -0.374 0.000 0.998 97 E CA 1.388 57.305 56.400 -0.804 0.000 0.818 97 E CB 0.071 29.368 29.700 -0.672 0.000 0.741 97 E HN 0.641 9.001 8.360 -0.000 0.000 0.477 98 E N 0.685 120.694 120.200 -0.318 0.000 2.489 98 E HA 0.022 4.373 4.350 0.001 0.000 0.193 98 E C -0.452 176.079 176.600 -0.115 0.000 1.057 98 E CA 0.367 56.662 56.400 -0.174 0.000 0.866 98 E CB 0.268 29.903 29.700 -0.108 0.000 0.916 98 E HN 0.280 8.640 8.360 -0.000 0.000 0.500 99 D N 0.637 120.979 120.400 -0.097 0.000 2.481 99 D HA 0.077 4.718 4.640 0.001 0.000 0.246 99 D C 0.814 177.176 176.300 0.103 0.000 1.109 99 D CA -0.289 53.709 54.000 -0.002 0.000 0.845 99 D CB 2.108 42.916 40.800 0.012 0.000 1.160 99 D HN -0.144 8.226 8.370 -0.000 0.000 0.534 100 K N 1.329 121.759 120.400 0.050 0.000 2.173 100 K HA -0.152 4.169 4.320 0.001 0.000 0.207 100 K C 0.217 176.751 176.600 -0.111 0.000 1.046 100 K CA 1.303 57.602 56.287 0.019 0.000 0.929 100 K CB 0.259 32.671 32.500 -0.147 0.000 0.720 100 K HN 0.471 8.721 8.250 -0.000 0.000 0.453 101 H N -1.568 117.574 119.070 0.120 0.000 2.731 101 H HA 0.381 4.938 4.556 0.002 0.000 0.368 101 H C -0.692 174.649 175.328 0.022 0.000 1.168 101 H CA -0.528 55.547 56.048 0.045 0.000 1.181 101 H CB 1.737 31.519 29.762 0.033 0.000 1.743 101 H HN 0.195 8.475 8.280 -0.000 0.000 0.547 102 A N 1.782 124.686 122.820 0.139 0.000 2.406 102 A HA 0.276 4.597 4.320 0.001 0.000 0.243 102 A C -0.040 177.601 177.584 0.095 0.000 1.082 102 A CA -0.134 51.951 52.037 0.081 0.000 0.786 102 A CB -0.021 19.015 19.000 0.060 0.000 1.029 102 A HN 0.391 8.541 8.150 -0.000 0.000 0.495 103 I N 2.140 122.762 120.570 0.085 0.000 2.354 103 I HA 0.260 4.431 4.170 0.001 0.000 0.292 103 I C -0.299 175.863 176.117 0.075 0.000 0.989 103 I CA -0.874 60.476 61.300 0.082 0.000 1.188 103 I CB 1.170 39.226 38.000 0.093 0.000 1.342 103 I HN 0.313 8.523 8.210 -0.000 0.000 0.457 104 I N 6.975 127.579 120.570 0.057 0.000 2.297 104 I HA 0.214 4.385 4.170 0.001 0.000 0.291 104 I C 0.445 176.594 176.117 0.052 0.000 1.033 104 I CA -0.663 60.668 61.300 0.051 0.000 1.253 104 I CB 1.022 39.042 38.000 0.035 0.000 1.396 104 I HN 0.103 8.313 8.210 -0.000 0.000 0.476 105 V N 6.834 126.785 119.914 0.061 0.000 2.788 105 V HA -0.088 4.033 4.120 0.001 0.000 0.307 105 V C 1.067 177.197 176.094 0.059 0.000 1.069 105 V CA -0.253 62.084 62.300 0.062 0.000 1.173 105 V CB -0.104 31.763 31.823 0.074 0.000 0.925 105 V HN 0.679 8.869 8.190 -0.000 0.000 0.492 106 E N 6.011 126.248 120.200 0.061 0.000 2.442 106 E HA -0.004 4.347 4.350 0.001 0.000 0.262 106 E C -1.598 175.044 176.600 0.071 0.000 1.004 106 E CA -1.004 55.431 56.400 0.060 0.000 0.928 106 E CB 0.225 29.963 29.700 0.064 0.000 0.937 106 E HN 0.480 8.840 8.360 -0.000 0.000 0.446 107 P HA -0.235 4.185 4.420 -0.000 0.000 0.216 107 P C 0.445 177.774 177.300 0.047 0.000 1.157 107 P CA 1.479 64.604 63.100 0.042 0.000 0.880 107 P CB 0.214 31.929 31.700 0.025 0.000 0.791 108 E N -0.668 119.566 120.200 0.056 0.000 2.268 108 E HA -0.111 4.240 4.350 0.001 0.000 0.195 108 E C 1.287 177.954 176.600 0.111 0.000 0.995 108 E CA 0.995 57.420 56.400 0.042 0.000 0.836 108 E CB -0.513 29.215 29.700 0.047 0.000 0.763 108 E HN 0.320 8.680 8.360 -0.000 0.000 0.491 109 K N 0.381 120.928 120.400 0.246 0.000 2.397 109 K HA 0.194 4.515 4.320 0.001 0.000 0.202 109 K C -0.041 176.759 176.600 0.333 0.000 1.022 109 K CA -0.218 56.367 56.287 0.497 0.000 1.141 109 K CB 0.513 33.192 32.500 0.298 0.000 0.857 109 K HN -0.054 8.196 8.250 -0.000 0.000 0.514 110 R N 0.656 121.264 120.500 0.180 0.000 2.438 110 R HA 0.213 4.554 4.340 0.001 0.000 0.287 110 R C 0.396 176.767 176.300 0.117 0.000 1.077 110 R CA -0.115 56.059 56.100 0.123 0.000 1.034 110 R CB 1.075 31.416 30.300 0.068 0.000 0.993 110 R HN 0.119 8.389 8.270 -0.000 0.000 0.459 111 G N 0.349 109.214 108.800 0.108 0.000 2.714 111 G HA2 0.218 4.179 3.960 0.001 0.000 0.292 111 G HA3 0.218 4.179 3.960 0.001 0.000 0.292 111 G C -0.117 174.794 174.900 0.017 0.000 1.308 111 G CA -0.773 44.382 45.100 0.093 0.000 0.964 111 G HN 0.642 8.932 8.290 -0.000 0.000 0.484 112 K N -1.166 119.174 120.400 -0.099 0.000 2.487 112 K HA 0.153 4.474 4.320 0.001 0.000 0.192 112 K C -0.699 175.690 176.600 -0.353 0.000 1.027 112 K CA 0.251 56.384 56.287 -0.257 0.000 1.054 112 K CB -0.032 32.238 32.500 -0.385 0.000 0.824 112 K HN 0.340 8.590 8.250 -0.000 0.000 0.510 113 Y N 0.731 121.062 120.300 0.052 0.000 2.387 113 Y HA 0.352 4.903 4.550 0.002 0.000 0.336 113 Y C -0.065 175.884 175.900 0.081 0.000 1.067 113 Y CA -1.304 56.833 58.100 0.062 0.000 1.114 113 Y CB 1.851 40.334 38.460 0.038 0.000 1.208 113 Y HN -0.309 7.971 8.280 -0.000 0.000 0.458 114 V N 4.210 124.295 119.914 0.285 0.000 2.417 114 V HA 0.493 4.614 4.120 0.001 0.000 0.291 114 V C -0.621 175.640 176.094 0.279 0.000 1.024 114 V CA -0.805 61.644 62.300 0.248 0.000 0.861 114 V CB 1.410 33.377 31.823 0.240 0.000 0.985 114 V HN 0.525 8.715 8.190 -0.000 0.000 0.436 115 V N 3.882 123.946 119.914 0.249 0.000 2.555 115 V HA 0.470 4.590 4.120 0.001 0.000 0.302 115 V C -0.298 176.010 176.094 0.356 0.000 1.038 115 V CA -0.486 61.968 62.300 0.257 0.000 0.887 115 V CB 1.924 33.856 31.823 0.181 0.000 0.991 115 V HN 0.952 9.142 8.190 -0.000 0.000 0.434 116 C N 5.799 125.315 119.300 0.360 0.000 2.379 116 C HA 0.910 5.370 4.460 0.001 0.000 0.323 116 C C -0.395 174.868 174.990 0.455 0.000 1.262 116 C CA -0.800 58.438 59.018 0.366 0.000 1.581 116 C CB 0.025 27.992 27.740 0.379 0.000 2.221 116 C HN 0.856 9.086 8.230 -0.000 0.000 0.497 117 F N 0.421 120.466 119.950 0.158 0.000 2.668 117 F HA 0.636 5.163 4.527 0.001 0.000 0.309 117 F C -1.169 174.589 175.800 -0.071 0.000 1.117 117 F CA -0.994 57.077 58.000 0.118 0.000 0.951 117 F CB 1.091 40.155 39.000 0.107 0.000 1.323 117 F HN 0.325 8.625 8.300 -0.000 0.000 0.451 118 D N 3.718 124.226 120.400 0.181 0.000 2.464 118 D HA 0.340 4.981 4.640 0.001 0.000 0.243 118 D C -1.758 174.674 176.300 0.221 0.000 1.104 118 D CA -2.477 51.529 54.000 0.009 0.000 0.883 118 D CB 1.905 42.769 40.800 0.106 0.000 1.050 118 D HN 0.310 8.680 8.370 -0.000 0.000 0.524 119 P HA -0.139 4.281 4.420 -0.000 0.000 0.216 119 P C 0.282 177.705 177.300 0.204 0.000 1.154 119 P CA 0.630 63.911 63.100 0.303 0.000 0.865 119 P CB 0.802 32.662 31.700 0.266 0.000 0.789 120 L N -0.861 120.446 121.223 0.141 0.000 2.543 120 L HA 0.482 4.823 4.340 0.001 0.000 0.265 120 L C -1.609 175.315 176.870 0.090 0.000 0.945 120 L CA -0.796 54.128 54.840 0.139 0.000 0.869 120 L CB 2.168 44.291 42.059 0.107 0.000 1.294 120 L HN -0.290 7.940 8.230 -0.000 0.000 0.405 121 D N 2.880 123.333 120.400 0.088 0.000 2.248 121 D HA 0.656 5.297 4.640 0.001 0.000 0.246 121 D C 0.837 177.156 176.300 0.032 0.000 1.027 121 D CA 0.689 54.717 54.000 0.046 0.000 0.853 121 D CB 1.730 42.545 40.800 0.026 0.000 1.243 121 D HN 0.933 9.303 8.370 -0.000 0.000 0.462 122 G N 1.959 110.770 108.800 0.017 0.000 2.143 122 G HA2 -0.330 3.631 3.960 0.001 0.000 0.249 122 G HA3 -0.330 3.631 3.960 0.001 0.000 0.249 122 G C 1.219 176.134 174.900 0.025 0.000 0.981 122 G CA 0.606 45.712 45.100 0.009 0.000 0.665 122 G HN 0.479 8.769 8.290 -0.000 0.000 0.528 123 S N 0.859 116.579 115.700 0.033 0.000 2.365 123 S HA -0.199 4.272 4.470 0.001 0.000 0.225 123 S C 2.710 177.327 174.600 0.028 0.000 1.039 123 S CA 2.449 60.670 58.200 0.034 0.000 1.033 123 S CB -0.523 62.696 63.200 0.032 0.000 0.887 123 S HN 1.605 9.915 8.310 -0.000 0.000 0.447 124 S N 2.435 118.151 115.700 0.026 0.000 2.402 124 S HA -0.144 4.326 4.470 0.001 0.000 0.233 124 S C 1.108 175.726 174.600 0.029 0.000 1.030 124 S CA 1.495 59.711 58.200 0.027 0.000 1.003 124 S CB -0.600 62.619 63.200 0.032 0.000 0.813 124 S HN 0.489 8.799 8.310 -0.000 0.000 0.477 125 N N 0.689 119.405 118.700 0.027 0.000 2.313 125 N HA 0.380 5.120 4.740 0.001 0.000 0.207 125 N C 0.790 176.313 175.510 0.022 0.000 1.141 125 N CA 0.027 53.092 53.050 0.024 0.000 0.830 125 N CB -0.064 38.433 38.487 0.017 0.000 1.008 125 N HN 0.503 8.883 8.380 -0.000 0.000 0.481 126 I N -0.258 120.326 120.570 0.025 0.000 3.564 126 I HA -0.079 4.092 4.170 0.001 0.000 0.294 126 I C 0.292 176.423 176.117 0.023 0.000 1.289 126 I CA 0.661 61.975 61.300 0.025 0.000 1.325 126 I CB 0.233 38.249 38.000 0.027 0.000 1.039 126 I HN 0.042 8.252 8.210 -0.000 0.000 0.474 127 D N 0.150 120.564 120.400 0.023 0.000 2.183 127 D HA -0.150 4.491 4.640 0.001 0.000 0.203 127 D C 1.860 178.172 176.300 0.020 0.000 0.969 127 D CA 1.156 55.170 54.000 0.024 0.000 0.842 127 D CB -0.061 40.755 40.800 0.026 0.000 0.957 127 D HN 0.553 8.923 8.370 -0.000 0.000 0.484 128 C N -0.189 119.122 119.300 0.018 0.000 2.525 128 C HA 0.465 4.926 4.460 0.001 0.000 0.313 128 C C 0.840 175.838 174.990 0.013 0.000 1.311 128 C CA -0.878 58.150 59.018 0.015 0.000 1.725 128 C CB -1.659 26.090 27.740 0.016 0.000 1.926 128 C HN 0.320 8.550 8.230 -0.000 0.000 0.595 129 L N -0.430 120.802 121.223 0.015 0.000 3.742 129 L HA -0.158 4.183 4.340 0.001 0.000 0.431 129 L C 0.448 177.329 176.870 0.018 0.000 1.220 129 L CA 0.235 55.084 54.840 0.015 0.000 0.863 129 L CB -1.935 40.130 42.059 0.010 0.000 1.751 129 L HN 0.545 8.775 8.230 -0.000 0.000 0.922 130 V N 0.340 120.264 119.914 0.017 0.000 2.732 130 V HA 0.357 4.478 4.120 0.001 0.000 0.297 130 V C 1.204 177.311 176.094 0.021 0.000 1.060 130 V CA 0.200 62.506 62.300 0.010 0.000 1.038 130 V CB 1.909 33.730 31.823 -0.003 0.000 1.003 130 V HN 0.399 8.589 8.190 -0.000 0.000 0.481 131 S N 5.131 120.840 115.700 0.016 0.000 2.563 131 S HA 0.268 4.739 4.470 0.001 0.000 0.294 131 S C -0.126 174.492 174.600 0.030 0.000 1.279 131 S CA 0.178 58.395 58.200 0.028 0.000 1.069 131 S CB 0.469 63.669 63.200 -0.000 0.000 0.828 131 S HN 1.142 9.452 8.310 -0.000 0.000 0.497 132 V N 0.176 120.145 119.914 0.092 0.000 3.181 132 V HA 1.112 5.232 4.120 0.001 0.000 0.314 132 V C 0.297 176.452 176.094 0.102 0.000 1.173 132 V CA -0.447 61.919 62.300 0.110 0.000 1.052 132 V CB 1.633 33.559 31.823 0.171 0.000 1.123 132 V HN 1.037 9.227 8.190 -0.000 0.000 0.454 133 G N -0.822 108.032 108.800 0.091 0.000 2.576 133 G HA2 0.590 4.551 3.960 0.001 0.000 0.290 133 G HA3 0.590 4.551 3.960 0.001 0.000 0.290 133 G C -1.259 173.677 174.900 0.060 0.000 1.442 133 G CA -0.314 44.732 45.100 -0.091 0.000 0.792 133 G HN 0.886 9.176 8.290 -0.000 0.000 0.491 134 T N 0.926 115.492 114.554 0.021 0.000 2.792 134 T HA 0.634 4.985 4.350 0.001 0.000 0.280 134 T C -0.006 174.808 174.700 0.190 0.000 0.990 134 T CA -0.114 62.093 62.100 0.178 0.000 0.960 134 T CB 0.990 70.012 68.868 0.256 0.000 0.939 134 T HN 0.418 8.658 8.240 -0.000 0.000 0.439 135 I N 3.865 124.561 120.570 0.208 0.000 2.648 135 I HA 0.767 4.938 4.170 0.001 0.000 0.304 135 I C -0.813 175.472 176.117 0.280 0.000 1.009 135 I CA -1.189 60.206 61.300 0.157 0.000 1.114 135 I CB 1.676 39.736 38.000 0.101 0.000 1.293 135 I HN 0.664 8.874 8.210 -0.000 0.000 0.449 136 F N 1.716 121.741 119.950 0.124 0.000 2.665 136 F HA 0.847 5.375 4.527 0.001 0.000 0.308 136 F C -0.777 175.028 175.800 0.008 0.000 1.112 136 F CA -0.893 57.169 58.000 0.105 0.000 0.972 136 F CB 1.249 40.271 39.000 0.037 0.000 1.295 136 F HN 0.445 8.745 8.300 -0.000 0.000 0.440 137 G N 2.354 111.275 108.800 0.202 0.000 2.662 137 G HA2 0.686 4.647 3.960 0.001 0.000 0.302 137 G HA3 0.686 4.647 3.960 0.001 0.000 0.302 137 G C -1.970 172.846 174.900 -0.140 0.000 1.389 137 G CA -0.954 44.084 45.100 -0.104 0.000 0.998 137 G HN 0.808 9.098 8.290 -0.000 0.000 0.502 138 I N 1.843 122.228 120.570 -0.308 0.000 2.410 138 I HA 0.370 4.540 4.170 0.001 0.000 0.286 138 I C -1.006 174.939 176.117 -0.287 0.000 1.009 138 I CA -0.717 60.461 61.300 -0.202 0.000 1.111 138 I CB 1.524 39.446 38.000 -0.130 0.000 1.262 138 I HN 0.376 8.586 8.210 -0.000 0.000 0.443 139 Y N 4.080 124.452 120.300 0.121 0.000 2.567 139 Y HA 0.609 5.160 4.550 0.002 0.000 0.333 139 Y C 0.211 176.235 175.900 0.207 0.000 1.106 139 Y CA -0.998 57.175 58.100 0.122 0.000 1.157 139 Y CB 1.281 39.790 38.460 0.082 0.000 1.277 139 Y HN 0.440 8.720 8.280 -0.000 0.000 0.490 140 R N 1.828 122.519 120.500 0.319 0.000 2.312 140 R HA 0.281 4.622 4.340 0.001 0.000 0.311 140 R C -0.501 175.850 176.300 0.085 0.000 1.004 140 R CA -0.784 55.403 56.100 0.145 0.000 0.902 140 R CB 0.709 31.054 30.300 0.074 0.000 1.073 140 R HN 0.687 8.957 8.270 -0.000 0.000 0.457 141 K N 3.258 123.667 120.400 0.015 0.000 2.489 141 K HA -0.088 4.232 4.320 0.001 0.000 0.278 141 K C -0.114 176.483 176.600 -0.005 0.000 1.000 141 K CA 0.263 56.558 56.287 0.013 0.000 1.012 141 K CB 0.776 33.270 32.500 -0.010 0.000 0.903 141 K HN 0.470 8.720 8.250 -0.000 0.000 0.485 142 K N 1.471 121.871 120.400 -0.001 0.000 2.167 142 K HA 0.042 4.363 4.320 0.001 0.000 0.214 142 K C -0.081 176.513 176.600 -0.010 0.000 1.024 142 K CA 0.863 57.146 56.287 -0.006 0.000 0.951 142 K CB -0.261 32.234 32.500 -0.008 0.000 0.907 142 K HN 0.790 9.040 8.250 -0.000 0.000 0.459 143 S N 0.598 116.292 115.700 -0.010 0.000 2.558 143 S HA -0.014 4.457 4.470 0.001 0.000 0.288 143 S C 0.624 175.218 174.600 -0.009 0.000 1.318 143 S CA 0.144 58.338 58.200 -0.009 0.000 1.056 143 S CB 0.803 63.998 63.200 -0.009 0.000 0.853 143 S HN 0.393 8.703 8.310 -0.000 0.000 0.505 144 T N -0.231 114.317 114.554 -0.009 0.000 3.272 144 T HA 0.123 4.474 4.350 0.001 0.000 0.250 144 T C 0.188 174.883 174.700 -0.007 0.000 1.082 144 T CA -0.381 61.713 62.100 -0.010 0.000 0.968 144 T CB -0.542 68.320 68.868 -0.010 0.000 1.015 144 T HN 0.615 8.855 8.240 -0.000 0.000 0.563 145 D N 1.960 122.357 120.400 -0.006 0.000 2.325 145 D HA 0.149 4.790 4.640 0.001 0.000 0.262 145 D C 0.400 176.699 176.300 -0.002 0.000 1.263 145 D CA -0.255 53.743 54.000 -0.004 0.000 1.020 145 D CB 0.424 41.221 40.800 -0.004 0.000 1.117 145 D HN 0.247 8.617 8.370 -0.000 0.000 0.545 146 E N 1.044 121.244 120.200 -0.001 0.000 2.338 146 E HA 0.150 4.501 4.350 0.001 0.000 0.272 146 E C -2.267 174.336 176.600 0.005 0.000 1.029 146 E CA -1.558 54.843 56.400 0.002 0.000 0.872 146 E CB 0.597 30.297 29.700 0.001 0.000 1.015 146 E HN 0.030 8.390 8.360 -0.000 0.000 0.417 147 P HA -0.034 4.386 4.420 -0.000 0.000 0.261 147 P C -1.061 176.250 177.300 0.017 0.000 1.183 147 P CA 0.215 63.325 63.100 0.018 0.000 0.761 147 P CB 0.596 32.312 31.700 0.027 0.000 0.785 148 S N 0.617 116.327 115.700 0.016 0.000 2.671 148 S HA 0.218 4.689 4.470 0.001 0.000 0.277 148 S C 1.030 175.641 174.600 0.018 0.000 1.165 148 S CA -0.776 57.432 58.200 0.014 0.000 0.822 148 S CB 1.540 64.742 63.200 0.004 0.000 1.150 148 S HN 0.411 8.721 8.310 -0.000 0.000 0.479 149 E N 0.844 121.055 120.200 0.018 0.000 2.219 149 E HA -0.242 4.109 4.350 0.001 0.000 0.198 149 E C 1.817 178.418 176.600 0.002 0.000 0.998 149 E CA 1.530 57.941 56.400 0.019 0.000 0.818 149 E CB -0.138 29.580 29.700 0.030 0.000 0.741 149 E HN 0.622 8.982 8.360 -0.000 0.000 0.477 150 K N 0.637 121.035 120.400 -0.002 0.000 2.063 150 K HA -0.214 4.107 4.320 0.001 0.000 0.208 150 K C 1.355 177.940 176.600 -0.025 0.000 1.048 150 K CA 1.844 58.122 56.287 -0.015 0.000 0.928 150 K CB -0.105 32.388 32.500 -0.011 0.000 0.713 150 K HN 0.152 8.402 8.250 -0.000 0.000 0.442 151 D N 0.238 120.631 120.400 -0.011 0.000 2.311 151 D HA -0.142 4.498 4.640 0.001 0.000 0.212 151 D C 1.378 177.662 176.300 -0.027 0.000 0.972 151 D CA 1.122 55.115 54.000 -0.012 0.000 0.887 151 D CB 0.157 40.966 40.800 0.014 0.000 0.915 151 D HN 0.427 8.797 8.370 -0.000 0.000 0.497 152 A N 0.162 122.969 122.820 -0.023 0.000 2.238 152 A HA 0.105 4.426 4.320 0.001 0.000 0.210 152 A C 1.722 179.230 177.584 -0.127 0.000 1.179 152 A CA -0.132 51.887 52.037 -0.029 0.000 0.827 152 A CB -0.097 18.922 19.000 0.033 0.000 0.856 152 A HN 0.142 8.292 8.150 -0.000 0.000 0.488 153 L N 0.883 122.033 121.223 -0.122 0.000 2.862 153 L HA 0.096 4.437 4.340 0.001 0.000 0.240 153 L C 0.222 176.976 176.870 -0.193 0.000 1.283 153 L CA -0.139 54.621 54.840 -0.134 0.000 1.117 153 L CB -0.547 41.464 42.059 -0.080 0.000 1.444 153 L HN 0.450 8.680 8.230 -0.000 0.000 0.456 154 Q N 1.686 121.271 119.800 -0.359 0.000 2.260 154 Q HA 0.308 4.649 4.340 0.001 0.000 0.242 154 Q C -2.133 173.648 176.000 -0.366 0.000 0.932 154 Q CA -1.864 53.704 55.803 -0.392 0.000 0.891 154 Q CB 0.970 29.367 28.738 -0.567 0.000 1.222 154 Q HN 0.019 8.289 8.270 -0.000 0.000 0.453 155 P HA 0.015 4.435 4.420 -0.000 0.000 0.282 155 P C 0.218 177.577 177.300 0.097 0.000 1.249 155 P CA -0.089 62.992 63.100 -0.031 0.000 0.806 155 P CB 0.923 32.625 31.700 0.004 0.000 0.984 156 G N 2.489 111.397 108.800 0.180 0.000 2.549 156 G HA2 -0.290 3.671 3.960 0.001 0.000 0.222 156 G HA3 -0.290 3.671 3.960 0.001 0.000 0.222 156 G C 1.594 176.673 174.900 0.299 0.000 1.100 156 G CA 0.467 45.747 45.100 0.300 0.000 0.739 156 G HN 0.423 8.713 8.290 -0.000 0.000 0.577 157 R N 0.692 121.320 120.500 0.213 0.000 2.189 157 R HA 0.041 4.382 4.340 0.001 0.000 0.223 157 R C 1.533 177.967 176.300 0.223 0.000 1.092 157 R CA 0.775 56.993 56.100 0.196 0.000 0.989 157 R CB -0.245 30.126 30.300 0.120 0.000 0.876 157 R HN 0.245 8.515 8.270 -0.000 0.000 0.457 158 N N -0.119 118.730 118.700 0.249 0.000 2.383 158 N HA 0.035 4.776 4.740 0.001 0.000 0.192 158 N C -0.296 175.426 175.510 0.353 0.000 1.141 158 N CA 0.094 53.301 53.050 0.262 0.000 0.851 158 N CB 0.126 38.724 38.487 0.184 0.000 0.976 158 N HN 0.190 8.570 8.380 -0.000 0.000 0.465 159 L N 0.509 121.884 121.223 0.253 0.000 2.485 159 L HA -0.009 4.332 4.340 0.001 0.000 0.275 159 L C 1.462 178.265 176.870 -0.112 0.000 1.207 159 L CA -0.151 54.588 54.840 -0.169 0.000 0.855 159 L CB 0.913 42.565 42.059 -0.680 0.000 1.114 159 L HN -0.101 8.129 8.230 -0.000 0.000 0.485 160 V N 1.821 121.642 119.914 -0.154 0.000 3.263 160 V HA 0.334 4.454 4.120 0.001 0.000 0.248 160 V C 0.522 176.562 176.094 -0.090 0.000 1.145 160 V CA 0.904 63.193 62.300 -0.018 0.000 1.107 160 V CB 0.208 32.075 31.823 0.073 0.000 0.797 160 V HN 0.856 9.046 8.190 -0.000 0.000 0.467 161 A N -0.770 121.882 122.820 -0.280 0.000 2.590 161 A HA 0.881 5.202 4.320 0.001 0.000 0.296 161 A C -1.028 176.364 177.584 -0.320 0.000 1.050 161 A CA 0.202 52.111 52.037 -0.213 0.000 0.697 161 A CB 1.056 20.030 19.000 -0.043 0.000 1.277 161 A HN 0.882 9.032 8.150 -0.000 0.000 0.411 162 A N -0.232 122.431 122.820 -0.261 0.000 2.599 162 A HA 1.111 5.432 4.320 0.001 0.000 0.290 162 A C 0.041 177.332 177.584 -0.489 0.000 1.101 162 A CA 0.080 51.889 52.037 -0.379 0.000 0.674 162 A CB 1.001 19.737 19.000 -0.440 0.000 1.277 162 A HN 2.882 11.032 8.150 -0.000 0.000 0.419 163 G N -1.593 106.563 108.800 -1.073 0.000 2.327 163 G HA2 0.656 4.617 3.960 0.001 0.000 0.291 163 G HA3 0.656 4.617 3.960 0.001 0.000 0.291 163 G C -1.465 172.836 174.900 -0.997 0.000 1.290 163 G CA 0.371 44.945 45.100 -0.878 0.000 0.857 163 G HN 2.313 10.603 8.290 -0.000 0.000 0.520 164 Y N -2.638 117.382 120.300 -0.467 0.000 2.656 164 Y HA 0.865 5.416 4.550 0.001 0.000 0.334 164 Y C -0.360 175.463 175.900 -0.130 0.000 1.179 164 Y CA -1.325 56.630 58.100 -0.242 0.000 1.050 164 Y CB 1.247 39.575 38.460 -0.220 0.000 1.308 164 Y HN 1.541 9.821 8.280 -0.000 0.000 0.456 165 A N 2.209 125.027 122.820 -0.003 0.000 2.318 165 A HA 0.690 5.011 4.320 0.001 0.000 0.317 165 A C -2.016 175.325 177.584 -0.406 0.000 1.159 165 A CA -0.667 51.240 52.037 -0.217 0.000 0.799 165 A CB 1.187 20.078 19.000 -0.181 0.000 1.194 165 A HN 0.853 9.003 8.150 -0.000 0.000 0.479 166 L N 3.099 124.105 121.223 -0.363 0.000 2.287 166 L HA 0.599 4.940 4.340 0.001 0.000 0.287 166 L C -1.503 175.130 176.870 -0.395 0.000 1.022 166 L CA -0.376 54.244 54.840 -0.367 0.000 0.814 166 L CB 0.432 42.334 42.059 -0.262 0.000 1.217 166 L HN 0.564 8.794 8.230 -0.000 0.000 0.420 167 Y N 5.461 125.774 120.300 0.020 0.000 2.817 167 Y HA 0.596 5.146 4.550 0.001 0.000 0.339 167 Y C 0.976 176.878 175.900 0.003 0.000 1.281 167 Y CA -0.316 57.795 58.100 0.018 0.000 1.564 167 Y CB 0.174 38.647 38.460 0.022 0.000 1.628 167 Y HN 0.712 8.992 8.280 -0.000 0.000 0.489 168 G N 0.323 109.169 108.800 0.076 0.000 3.227 168 G HA2 0.120 4.081 3.960 0.001 0.000 0.171 168 G HA3 0.120 4.081 3.960 0.001 0.000 0.171 168 G C 1.170 176.102 174.900 0.054 0.000 1.463 168 G CA 0.060 45.191 45.100 0.051 0.000 1.016 168 G HN 0.369 8.659 8.290 -0.000 0.000 0.594 169 S N -0.688 115.036 115.700 0.040 0.000 2.440 169 S HA 0.326 4.797 4.470 0.001 0.000 0.238 169 S C 0.897 175.519 174.600 0.036 0.000 1.010 169 S CA 1.321 59.542 58.200 0.035 0.000 0.972 169 S CB -0.339 62.881 63.200 0.034 0.000 0.774 169 S HN 1.520 9.829 8.310 -0.000 0.000 0.501 170 A N -0.278 122.567 122.820 0.041 0.000 2.609 170 A HA 0.665 4.986 4.320 0.001 0.000 0.291 170 A C -0.698 176.923 177.584 0.062 0.000 1.096 170 A CA -0.732 51.331 52.037 0.043 0.000 0.684 170 A CB 0.945 19.964 19.000 0.031 0.000 1.282 170 A HN 0.121 8.271 8.150 -0.000 0.000 0.412 171 T N 1.907 116.512 114.554 0.085 0.000 2.743 171 T HA 0.537 4.888 4.350 0.001 0.000 0.292 171 T C -0.214 174.578 174.700 0.153 0.000 0.972 171 T CA 0.160 62.346 62.100 0.143 0.000 0.967 171 T CB 0.132 69.144 68.868 0.240 0.000 0.926 171 T HN 0.610 8.850 8.240 -0.000 0.000 0.459 172 M N 4.520 124.161 119.600 0.068 0.000 2.598 172 M HA 0.698 5.179 4.480 0.001 0.000 0.317 172 M C -1.812 174.470 176.300 -0.030 0.000 1.179 172 M CA -1.105 54.234 55.300 0.065 0.000 0.936 172 M CB 1.869 34.429 32.600 -0.067 0.000 1.713 172 M HN 0.535 8.825 8.290 -0.000 0.000 0.460 173 L N 4.606 125.792 121.223 -0.061 0.000 2.372 173 L HA 0.612 4.952 4.340 0.001 0.000 0.274 173 L C -1.722 175.005 176.870 -0.239 0.000 0.988 173 L CA -0.741 53.930 54.840 -0.282 0.000 0.833 173 L CB 1.782 43.440 42.059 -0.668 0.000 1.236 173 L HN 0.545 8.775 8.230 -0.000 0.000 0.410 174 V N 5.826 125.450 119.914 -0.483 0.000 2.370 174 V HA 0.366 4.487 4.120 0.001 0.000 0.279 174 V C -0.292 175.596 176.094 -0.344 0.000 1.029 174 V CA -0.473 61.551 62.300 -0.459 0.000 0.870 174 V CB 1.509 32.839 31.823 -0.823 0.000 0.984 174 V HN 0.552 8.742 8.190 -0.000 0.000 0.451 175 L N 5.540 126.706 121.223 -0.095 0.000 2.325 175 L HA 0.894 5.235 4.340 0.001 0.000 0.281 175 L C 0.015 176.914 176.870 0.049 0.000 1.004 175 L CA -0.224 54.623 54.840 0.011 0.000 0.823 175 L CB 1.381 43.500 42.059 0.101 0.000 1.236 175 L HN 0.687 8.917 8.230 -0.000 0.000 0.415 176 A N 6.681 129.547 122.820 0.076 0.000 2.304 176 A HA 0.873 5.194 4.320 0.001 0.000 0.314 176 A C -0.639 177.133 177.584 0.314 0.000 1.187 176 A CA -0.539 51.601 52.037 0.172 0.000 0.810 176 A CB 0.761 19.880 19.000 0.198 0.000 1.183 176 A HN 0.802 8.952 8.150 -0.000 0.000 0.487 177 M N 0.542 120.306 119.600 0.274 0.000 2.745 177 M HA 0.285 4.766 4.480 0.001 0.000 0.290 177 M C 0.569 177.013 176.300 0.241 0.000 1.262 177 M CA -0.771 54.699 55.300 0.283 0.000 0.795 177 M CB 1.362 34.079 32.600 0.195 0.000 1.758 177 M HN 0.772 9.062 8.290 -0.000 0.000 0.461 178 D N 0.793 121.325 120.400 0.220 0.000 2.190 178 D HA -0.146 4.495 4.640 0.001 0.000 0.200 178 D C 1.614 177.963 176.300 0.082 0.000 0.992 178 D CA 1.625 55.709 54.000 0.139 0.000 0.854 178 D CB 0.079 40.954 40.800 0.125 0.000 0.936 178 D HN 0.727 9.097 8.370 -0.000 0.000 0.462 179 C N -1.235 118.124 119.300 0.099 0.000 2.546 179 C HA 0.643 5.104 4.460 0.001 0.000 0.275 179 C C 1.304 176.344 174.990 0.083 0.000 1.393 179 C CA -0.013 59.057 59.018 0.086 0.000 1.703 179 C CB -1.282 26.520 27.740 0.104 0.000 1.710 179 C HN 0.459 8.689 8.230 -0.000 0.000 0.581 180 G N -0.407 108.432 108.800 0.065 0.000 2.422 180 G HA2 0.210 4.171 3.960 0.001 0.000 0.607 180 G HA3 0.210 4.171 3.960 0.001 0.000 0.607 180 G C -1.165 173.760 174.900 0.041 0.000 1.270 180 G CA -0.270 44.849 45.100 0.031 0.000 0.992 180 G HN 0.770 9.060 8.290 -0.000 0.000 0.499 181 V N 1.901 121.813 119.914 -0.003 0.000 2.448 181 V HA 0.641 4.762 4.120 0.001 0.000 0.295 181 V C -0.304 175.739 176.094 -0.085 0.000 1.025 181 V CA -1.047 61.240 62.300 -0.022 0.000 0.859 181 V CB 1.653 33.455 31.823 -0.036 0.000 0.988 181 V HN 0.703 8.893 8.190 -0.000 0.000 0.431 182 N N 2.303 120.924 118.700 -0.131 0.000 2.238 182 N HA 0.530 5.271 4.740 0.001 0.000 0.302 182 N C -1.290 173.983 175.510 -0.395 0.000 1.072 182 N CA -0.358 52.485 53.050 -0.346 0.000 0.792 182 N CB 2.249 40.383 38.487 -0.589 0.000 1.425 182 N HN 0.547 8.927 8.380 -0.000 0.000 0.478 183 C N 1.845 120.833 119.300 -0.520 0.000 2.351 183 C HA 0.609 5.070 4.460 0.001 0.000 0.326 183 C C -0.527 174.122 174.990 -0.569 0.000 1.272 183 C CA -0.727 58.071 59.018 -0.366 0.000 1.650 183 C CB -1.118 26.514 27.740 -0.180 0.000 2.257 183 C HN 0.545 8.775 8.230 -0.000 0.000 0.505 184 F N 2.837 122.700 119.950 -0.145 0.000 2.467 184 F HA 0.573 5.100 4.527 0.001 0.000 0.336 184 F C 0.205 176.073 175.800 0.113 0.000 1.123 184 F CA -0.822 57.154 58.000 -0.040 0.000 0.964 184 F CB 1.222 40.176 39.000 -0.076 0.000 1.136 184 F HN 0.392 8.692 8.300 -0.000 0.000 0.447 185 M N 3.911 123.669 119.600 0.264 0.000 2.277 185 M HA 0.460 4.941 4.480 0.001 0.000 0.350 185 M C -1.242 175.187 176.300 0.215 0.000 1.180 185 M CA -0.790 54.632 55.300 0.202 0.000 1.103 185 M CB 1.059 33.709 32.600 0.085 0.000 1.577 185 M HN 0.546 8.836 8.290 -0.000 0.000 0.459 186 L N 5.125 126.397 121.223 0.082 0.000 2.278 186 L HA 0.344 4.685 4.340 0.001 0.000 0.287 186 L C -0.740 176.028 176.870 -0.170 0.000 1.072 186 L CA 0.221 54.892 54.840 -0.282 0.000 0.819 186 L CB 0.273 42.040 42.059 -0.485 0.000 1.176 186 L HN 0.629 8.859 8.230 -0.000 0.000 0.435 187 D N 7.529 127.832 120.400 -0.161 0.000 2.365 187 D HA 0.185 4.826 4.640 0.001 0.000 0.237 187 D C -1.800 174.424 176.300 -0.126 0.000 1.190 187 D CA -1.768 52.174 54.000 -0.096 0.000 0.867 187 D CB 1.683 42.449 40.800 -0.057 0.000 1.050 187 D HN 0.433 8.803 8.370 -0.000 0.000 0.491 188 P HA -0.061 4.359 4.420 -0.000 0.000 0.223 188 P C 0.969 178.226 177.300 -0.071 0.000 1.151 188 P CA 0.398 63.441 63.100 -0.095 0.000 0.787 188 P CB 0.334 31.992 31.700 -0.069 0.000 0.788 189 A N 0.637 123.423 122.820 -0.056 0.000 2.014 189 A HA -0.020 4.301 4.320 0.001 0.000 0.218 189 A C 1.995 179.553 177.584 -0.043 0.000 1.163 189 A CA 1.268 53.280 52.037 -0.042 0.000 0.652 189 A CB -1.042 17.939 19.000 -0.031 0.000 0.808 189 A HN 0.413 8.563 8.150 -0.000 0.000 0.449 190 I N -6.214 114.325 120.570 -0.053 0.000 4.310 190 I HA 0.483 4.654 4.170 0.001 0.000 0.328 190 I C 0.870 176.948 176.117 -0.066 0.000 1.406 190 I CA 0.206 61.478 61.300 -0.047 0.000 1.174 190 I CB 0.052 38.032 38.000 -0.033 0.000 1.279 190 I HN 0.228 8.438 8.210 -0.000 0.000 0.471 191 G N 2.283 111.024 108.800 -0.098 0.000 2.393 191 G HA2 -0.307 3.654 3.960 0.001 0.000 0.299 191 G HA3 -0.307 3.654 3.960 0.001 0.000 0.299 191 G C -0.319 174.489 174.900 -0.153 0.000 0.990 191 G CA 1.004 46.020 45.100 -0.140 0.000 1.118 191 G HN 0.692 8.982 8.290 -0.000 0.000 0.513 192 E N -1.126 118.974 120.200 -0.166 0.000 2.293 192 E HA 0.706 5.057 4.350 0.001 0.000 0.270 192 E C -0.777 175.736 176.600 -0.145 0.000 0.879 192 E CA -1.116 55.221 56.400 -0.105 0.000 0.756 192 E CB 0.720 30.405 29.700 -0.024 0.000 1.208 192 E HN 0.044 8.404 8.360 -0.000 0.000 0.428 193 F N 3.592 123.544 119.950 0.002 0.000 2.375 193 F HA 0.374 4.902 4.527 0.001 0.000 0.362 193 F C -0.164 175.714 175.800 0.131 0.000 1.129 193 F CA -0.496 57.526 58.000 0.037 0.000 1.154 193 F CB 0.398 39.362 39.000 -0.059 0.000 1.205 193 F HN 0.347 8.647 8.300 -0.000 0.000 0.513 194 I N 4.763 125.513 120.570 0.300 0.000 2.342 194 I HA 0.146 4.317 4.170 0.001 0.000 0.291 194 I C -0.362 175.890 176.117 0.226 0.000 1.010 194 I CA -0.706 60.735 61.300 0.235 0.000 1.308 194 I CB 1.092 39.156 38.000 0.107 0.000 1.400 194 I HN 0.270 8.480 8.210 -0.000 0.000 0.488 195 L N 8.745 130.065 121.223 0.162 0.000 2.530 195 L HA 0.127 4.468 4.340 0.001 0.000 0.273 195 L C 0.824 177.565 176.870 -0.216 0.000 1.141 195 L CA 0.566 55.232 54.840 -0.291 0.000 0.905 195 L CB 0.360 42.223 42.059 -0.327 0.000 1.202 195 L HN 0.570 8.800 8.230 -0.000 0.000 0.473 196 V N 0.019 119.785 119.914 -0.246 0.000 3.528 196 V HA 0.485 4.606 4.120 0.001 0.000 0.294 196 V C -0.150 175.844 176.094 -0.166 0.000 1.404 196 V CA 0.050 62.262 62.300 -0.147 0.000 1.065 196 V CB 0.056 31.833 31.823 -0.076 0.000 0.904 196 V HN 0.755 8.945 8.190 -0.000 0.000 0.435 197 D N 1.058 121.307 120.400 -0.252 0.000 2.328 197 D HA 0.333 4.974 4.640 0.001 0.000 0.243 197 D C -0.642 175.499 176.300 -0.266 0.000 1.324 197 D CA -0.140 53.736 54.000 -0.208 0.000 0.966 197 D CB 1.551 42.248 40.800 -0.173 0.000 1.324 197 D HN 0.264 8.634 8.370 -0.000 0.000 0.549 198 K N 1.384 121.657 120.400 -0.211 0.000 2.270 198 K HA 0.158 4.479 4.320 0.001 0.000 0.276 198 K C -0.140 176.383 176.600 -0.129 0.000 1.023 198 K CA -0.336 55.836 56.287 -0.192 0.000 0.955 198 K CB 0.607 33.039 32.500 -0.113 0.000 0.975 198 K HN 0.375 8.625 8.250 -0.000 0.000 0.471 199 D N 2.177 122.513 120.400 -0.106 0.000 2.982 199 D HA -0.178 4.463 4.640 0.001 0.000 0.207 199 D C -0.839 175.421 176.300 -0.066 0.000 1.258 199 D CA 0.317 54.283 54.000 -0.058 0.000 0.758 199 D CB -0.363 40.428 40.800 -0.015 0.000 0.886 199 D HN 0.177 8.547 8.370 -0.000 0.000 0.389 200 V N 2.967 122.829 119.914 -0.086 0.000 2.963 200 V HA 0.227 4.348 4.120 0.001 0.000 0.306 200 V C 0.884 176.942 176.094 -0.060 0.000 1.077 200 V CA 0.343 62.595 62.300 -0.080 0.000 1.124 200 V CB 1.474 33.240 31.823 -0.095 0.000 0.987 200 V HN 0.297 8.487 8.190 -0.000 0.000 0.487 201 K N 3.758 124.125 120.400 -0.056 0.000 2.513 201 K HA 0.501 4.822 4.320 0.001 0.000 0.251 201 K C -0.719 175.855 176.600 -0.044 0.000 0.939 201 K CA -0.562 55.698 56.287 -0.044 0.000 0.793 201 K CB 2.743 35.223 32.500 -0.034 0.000 1.241 201 K HN 0.623 8.873 8.250 -0.000 0.000 0.431 202 I N 1.887 122.434 120.570 -0.038 0.000 2.662 202 I HA 0.108 4.279 4.170 0.001 0.000 0.291 202 I C 0.227 176.333 176.117 -0.018 0.000 1.046 202 I CA -0.299 60.981 61.300 -0.033 0.000 1.361 202 I CB 0.685 38.670 38.000 -0.026 0.000 1.429 202 I HN 0.376 8.586 8.210 -0.000 0.000 0.558 203 K N 5.763 126.156 120.400 -0.012 0.000 2.469 203 K HA -0.060 4.261 4.320 0.001 0.000 0.274 203 K C 0.836 177.444 176.600 0.012 0.000 0.983 203 K CA 0.106 56.393 56.287 0.001 0.000 0.974 203 K CB 0.621 33.124 32.500 0.005 0.000 0.913 203 K HN 0.524 8.774 8.250 -0.000 0.000 0.493 204 K N 2.269 122.679 120.400 0.017 0.000 2.026 204 K HA -0.150 4.171 4.320 0.001 0.000 0.208 204 K C 0.230 176.858 176.600 0.047 0.000 1.048 204 K CA 1.553 57.857 56.287 0.028 0.000 0.929 204 K CB 0.211 32.727 32.500 0.027 0.000 0.713 204 K HN 0.387 8.637 8.250 -0.000 0.000 0.439 205 K N -0.508 119.921 120.400 0.048 0.000 2.422 205 K HA 0.346 4.667 4.320 0.001 0.000 0.251 205 K C -0.904 175.716 176.600 0.033 0.000 0.933 205 K CA -0.731 55.599 56.287 0.073 0.000 0.798 205 K CB 2.070 34.627 32.500 0.094 0.000 1.238 205 K HN 0.215 8.465 8.250 -0.000 0.000 0.428 206 G N 1.468 110.279 108.800 0.018 0.000 2.820 206 G HA2 0.381 4.342 3.960 0.001 0.000 0.291 206 G HA3 0.381 4.342 3.960 0.001 0.000 0.291 206 G C -0.725 173.944 174.900 -0.386 0.000 1.323 206 G CA -0.568 44.475 45.100 -0.095 0.000 1.055 206 G HN 0.586 8.876 8.290 -0.000 0.000 0.520 207 K N -0.295 119.809 120.400 -0.494 0.000 2.792 207 K HA 0.399 4.720 4.320 0.001 0.000 0.207 207 K C -0.737 175.461 176.600 -0.670 0.000 1.103 207 K CA 0.087 55.848 56.287 -0.877 0.000 1.048 207 K CB 0.565 32.822 32.500 -0.406 0.000 0.777 207 K HN 0.252 8.502 8.250 -0.000 0.000 0.468 208 I N 1.381 121.688 120.570 -0.439 0.000 2.644 208 I HA 0.239 4.410 4.170 0.001 0.000 0.291 208 I C -1.359 174.877 176.117 0.198 0.000 1.180 208 I CA -1.293 59.968 61.300 -0.065 0.000 1.040 208 I CB 1.899 39.857 38.000 -0.070 0.000 1.255 208 I HN 0.057 8.267 8.210 -0.000 0.000 0.422 209 Y N 3.682 124.097 120.300 0.193 0.000 2.364 209 Y HA 0.758 5.310 4.550 0.003 0.000 0.340 209 Y C -0.544 175.443 175.900 0.146 0.000 0.975 209 Y CA -1.183 57.038 58.100 0.203 0.000 1.089 209 Y CB 1.746 40.317 38.460 0.185 0.000 1.192 209 Y HN 0.396 8.676 8.280 -0.000 0.000 0.454 210 S N 6.672 122.465 115.700 0.154 0.000 2.552 210 S HA 0.855 5.325 4.470 0.001 0.000 0.314 210 S C -1.139 173.537 174.600 0.127 0.000 1.099 210 S CA -0.539 57.768 58.200 0.179 0.000 1.070 210 S CB 0.002 63.451 63.200 0.416 0.000 0.998 210 S HN 1.085 9.395 8.310 -0.000 0.000 0.474 211 L N 2.500 123.667 121.223 -0.094 0.000 3.020 211 L HA 0.659 5.000 4.340 0.001 0.000 0.273 211 L C -1.476 174.737 176.870 -1.095 0.000 1.018 211 L CA -1.136 53.381 54.840 -0.539 0.000 0.950 211 L CB 1.482 43.348 42.059 -0.321 0.000 1.510 211 L HN 0.485 8.715 8.230 -0.000 0.000 0.404 212 N N 1.147 119.069 118.700 -1.298 0.000 2.439 212 N HA 0.191 4.931 4.740 0.001 0.000 0.243 212 N C 0.004 175.249 175.510 -0.441 0.000 1.088 212 N CA 0.031 52.458 53.050 -1.037 0.000 0.940 212 N CB 0.709 38.627 38.487 -0.948 0.000 1.180 212 N HN 0.799 9.179 8.380 -0.000 0.000 0.505 213 E N 1.403 121.471 120.200 -0.221 0.000 2.485 213 E HA 0.021 4.372 4.350 0.001 0.000 0.194 213 E C 1.260 177.789 176.600 -0.118 0.000 1.098 213 E CA -0.053 56.343 56.400 -0.007 0.000 0.878 213 E CB 0.227 29.979 29.700 0.087 0.000 0.939 213 E HN 0.699 9.059 8.360 -0.000 0.000 0.503 214 G N 0.182 108.846 108.800 -0.226 0.000 2.511 214 G HA2 -0.173 3.787 3.960 0.001 0.000 0.217 214 G HA3 -0.173 3.787 3.960 0.001 0.000 0.217 214 G C 0.849 175.766 174.900 0.028 0.000 1.133 214 G CA -0.034 45.005 45.100 -0.100 0.000 0.792 214 G HN 0.354 8.644 8.290 -0.000 0.000 0.539 215 Y N 0.765 120.847 120.300 -0.362 0.000 2.718 215 Y HA 0.384 4.935 4.550 0.002 0.000 0.322 215 Y C 2.309 177.524 175.900 -1.141 0.000 1.122 215 Y CA -0.555 57.223 58.100 -0.536 0.000 1.348 215 Y CB 0.384 38.586 38.460 -0.430 0.000 1.174 215 Y HN 0.240 8.520 8.280 -0.000 0.000 0.523 216 A N 0.778 123.167 122.820 -0.718 0.000 1.969 216 A HA -0.197 4.124 4.320 0.001 0.000 0.218 216 A C 2.225 179.569 177.584 -0.400 0.000 1.169 216 A CA 1.313 52.925 52.037 -0.708 0.000 0.635 216 A CB -0.242 18.683 19.000 -0.125 0.000 0.810 216 A HN 0.455 8.605 8.150 -0.000 0.000 0.445 217 K N -0.395 119.846 120.400 -0.265 0.000 2.147 217 K HA -0.155 4.166 4.320 0.001 0.000 0.205 217 K C 0.310 176.833 176.600 -0.127 0.000 1.049 217 K CA 1.622 57.827 56.287 -0.136 0.000 0.936 217 K CB -0.030 32.411 32.500 -0.098 0.000 0.722 217 K HN 0.406 8.656 8.250 -0.000 0.000 0.446 218 D N -0.327 119.949 120.400 -0.207 0.000 2.369 218 D HA 0.012 4.653 4.640 0.001 0.000 0.211 218 D C -0.352 175.964 176.300 0.025 0.000 1.077 218 D CA -0.021 53.919 54.000 -0.101 0.000 0.842 218 D CB 0.110 40.838 40.800 -0.120 0.000 0.947 218 D HN -0.006 8.364 8.370 -0.000 0.000 0.509 219 F N 2.889 122.855 119.950 0.028 0.000 2.578 219 F HA 0.054 4.581 4.527 0.001 0.000 0.381 219 F C 1.285 177.096 175.800 0.020 0.000 1.069 219 F CA -1.436 56.579 58.000 0.025 0.000 1.231 219 F CB -0.082 38.930 39.000 0.021 0.000 1.086 219 F HN -0.084 8.216 8.300 -0.000 0.000 0.564 220 D N 5.074 125.613 120.400 0.231 0.000 2.368 220 D HA 0.077 4.718 4.640 0.001 0.000 0.240 220 D C -1.704 174.633 176.300 0.061 0.000 1.169 220 D CA -1.202 52.867 54.000 0.114 0.000 0.906 220 D CB 0.273 41.125 40.800 0.087 0.000 1.187 220 D HN 0.235 8.605 8.370 -0.000 0.000 0.435 221 P HA -0.354 4.066 4.420 -0.000 0.000 0.217 221 P C 1.283 178.396 177.300 -0.311 0.000 1.158 221 P CA 2.359 65.453 63.100 -0.010 0.000 0.887 221 P CB -0.188 31.623 31.700 0.185 0.000 0.792 222 A N -0.175 122.296 122.820 -0.582 0.000 1.892 222 A HA -0.181 4.140 4.320 0.001 0.000 0.218 222 A C 2.595 179.979 177.584 -0.332 0.000 1.188 222 A CA 2.603 54.189 52.037 -0.753 0.000 0.631 222 A CB -1.710 16.963 19.000 -0.544 0.000 0.822 222 A HN 0.120 8.270 8.150 -0.000 0.000 0.447 223 V N -0.119 119.719 119.914 -0.126 0.000 2.295 223 V HA -0.239 3.881 4.120 0.001 0.000 0.246 223 V C 2.776 178.786 176.094 -0.140 0.000 1.049 223 V CA 2.490 64.748 62.300 -0.070 0.000 1.024 223 V CB -1.457 30.218 31.823 -0.248 0.000 0.648 223 V HN 0.667 8.857 8.190 -0.000 0.000 0.447 224 T N -0.600 113.903 114.554 -0.085 0.000 2.720 224 T HA -0.274 4.077 4.350 0.001 0.000 0.268 224 T C 1.844 176.533 174.700 -0.017 0.000 1.037 224 T CA 1.804 63.909 62.100 0.009 0.000 1.144 224 T CB -0.294 68.643 68.868 0.115 0.000 0.864 224 T HN 0.570 8.810 8.240 -0.000 0.000 0.444 225 E N -0.222 119.956 120.200 -0.037 0.000 2.077 225 E HA -0.167 4.184 4.350 0.001 0.000 0.193 225 E C 2.038 178.622 176.600 -0.027 0.000 0.989 225 E CA 0.944 57.336 56.400 -0.013 0.000 0.800 225 E CB -0.185 29.523 29.700 0.013 0.000 0.746 225 E HN 0.602 8.962 8.360 -0.000 0.000 0.452 226 Y N 1.455 121.664 120.300 -0.152 0.000 2.114 226 Y HA -0.244 4.307 4.550 0.001 0.000 0.284 226 Y C 2.105 177.888 175.900 -0.195 0.000 1.143 226 Y CA 1.533 59.552 58.100 -0.135 0.000 1.135 226 Y CB -0.294 38.148 38.460 -0.031 0.000 0.980 226 Y HN 0.050 8.330 8.280 -0.000 0.000 0.499 227 I N 0.466 120.866 120.570 -0.283 0.000 2.264 227 I HA -0.320 3.851 4.170 0.001 0.000 0.248 227 I C 2.302 178.146 176.117 -0.455 0.000 1.111 227 I CA 1.380 62.381 61.300 -0.499 0.000 1.382 227 I CB -1.535 36.276 38.000 -0.315 0.000 1.060 227 I HN 0.378 8.588 8.210 -0.000 0.000 0.418 228 Q N 0.834 120.503 119.800 -0.218 0.000 2.084 228 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 228 Q C 2.281 178.219 176.000 -0.104 0.000 0.978 228 Q CA 1.287 57.058 55.803 -0.053 0.000 0.844 228 Q CB -0.272 28.490 28.738 0.039 0.000 0.898 228 Q HN 0.568 8.838 8.270 -0.000 0.000 0.426 229 R N 0.312 120.669 120.500 -0.238 0.000 2.280 229 R HA -0.040 4.301 4.340 0.001 0.000 0.207 229 R C 1.684 177.728 176.300 -0.426 0.000 1.043 229 R CA 0.528 56.473 56.100 -0.258 0.000 1.006 229 R CB 0.136 30.289 30.300 -0.245 0.000 0.885 229 R HN 0.040 8.310 8.270 -0.000 0.000 0.467 230 K N 1.048 121.075 120.400 -0.622 0.000 2.168 230 K HA 0.060 4.381 4.320 0.001 0.000 0.201 230 K C 1.768 178.082 176.600 -0.477 0.000 1.049 230 K CA 0.932 56.778 56.287 -0.735 0.000 0.974 230 K CB 0.015 31.902 32.500 -1.022 0.000 0.792 230 K HN 0.057 8.307 8.250 -0.000 0.000 0.463 231 K N -0.031 120.050 120.400 -0.532 0.000 2.097 231 K HA 0.016 4.337 4.320 0.001 0.000 0.205 231 K C 0.021 176.159 176.600 -0.770 0.000 1.050 231 K CA 0.940 56.835 56.287 -0.654 0.000 0.938 231 K CB 0.024 31.971 32.500 -0.922 0.000 0.718 231 K HN -0.007 8.243 8.250 -0.000 0.000 0.442 232 F N 1.715 121.589 119.950 -0.127 0.000 2.550 232 F HA 0.248 4.776 4.527 0.002 0.000 0.348 232 F C -2.365 173.369 175.800 -0.111 0.000 1.219 232 F CA -3.165 54.781 58.000 -0.090 0.000 1.203 232 F CB 0.677 39.632 39.000 -0.074 0.000 1.436 232 F HN -0.169 8.131 8.300 -0.000 0.000 0.541 233 P HA -0.014 4.406 4.420 -0.000 0.000 0.261 233 P C -1.976 175.328 177.300 0.007 0.000 1.183 233 P CA -0.780 62.294 63.100 -0.042 0.000 0.761 233 P CB 1.246 32.922 31.700 -0.040 0.000 0.785 234 P HA -0.164 4.256 4.420 -0.000 0.000 0.216 234 P C 0.790 178.091 177.300 0.002 0.000 1.153 234 P CA 1.510 64.608 63.100 -0.002 0.000 0.848 234 P CB -0.089 31.603 31.700 -0.014 0.000 0.787 235 D N -0.716 119.684 120.400 0.000 0.000 2.395 235 D HA -0.084 4.557 4.640 0.001 0.000 0.250 235 D C 0.136 176.444 176.300 0.014 0.000 1.203 235 D CA -0.300 53.704 54.000 0.007 0.000 0.872 235 D CB -1.479 39.327 40.800 0.010 0.000 0.941 235 D HN -0.012 8.358 8.370 -0.000 0.000 0.504 236 N N 0.754 119.464 118.700 0.017 0.000 2.702 236 N HA -0.190 4.550 4.740 0.001 0.000 0.255 236 N C -0.076 175.450 175.510 0.027 0.000 0.983 236 N CA 0.981 54.046 53.050 0.025 0.000 0.768 236 N CB -0.758 37.742 38.487 0.021 0.000 0.918 236 N HN 0.619 8.999 8.380 -0.000 0.000 0.540 237 S N -1.053 114.664 115.700 0.028 0.000 2.590 237 S HA 0.766 5.237 4.470 0.001 0.000 0.282 237 S C 0.422 175.047 174.600 0.042 0.000 1.136 237 S CA -0.267 57.954 58.200 0.036 0.000 1.030 237 S CB 1.257 64.484 63.200 0.044 0.000 1.195 237 S HN 0.381 8.691 8.310 -0.000 0.000 0.506 238 A N 1.428 124.282 122.820 0.056 0.000 2.354 238 A HA 0.697 5.018 4.320 0.001 0.000 0.269 238 A C -2.514 175.126 177.584 0.092 0.000 1.109 238 A CA -1.568 50.505 52.037 0.060 0.000 0.800 238 A CB -0.807 18.226 19.000 0.054 0.000 1.045 238 A HN 0.627 8.777 8.150 -0.000 0.000 0.489 239 P HA 0.279 4.699 4.420 -0.000 0.000 0.274 239 P C -0.728 176.715 177.300 0.239 0.000 1.256 239 P CA -0.093 63.051 63.100 0.074 0.000 0.795 239 P CB 0.240 31.929 31.700 -0.018 0.000 1.038 240 Y N -0.416 119.888 120.300 0.007 0.000 2.334 240 Y HA 0.509 5.060 4.550 0.001 0.000 0.325 240 Y C 1.382 177.348 175.900 0.110 0.000 1.308 240 Y CA -0.676 57.477 58.100 0.088 0.000 1.389 240 Y CB -0.008 38.570 38.460 0.196 0.000 1.328 240 Y HN 0.332 8.612 8.280 -0.000 0.000 0.532 241 G N -0.002 108.885 108.800 0.144 0.000 2.389 241 G HA2 0.576 4.537 3.960 0.001 0.000 0.317 241 G HA3 0.576 4.537 3.960 0.001 0.000 0.317 241 G C -1.190 173.620 174.900 -0.150 0.000 1.137 241 G CA -0.517 44.588 45.100 0.009 0.000 0.870 241 G HN 0.759 9.049 8.290 -0.000 0.000 0.496 242 A N 1.965 124.633 122.820 -0.253 0.000 2.303 242 A HA 0.907 5.228 4.320 0.001 0.000 0.317 242 A C 0.101 177.521 177.584 -0.273 0.000 1.149 242 A CA -0.632 51.069 52.037 -0.562 0.000 0.822 242 A CB 0.906 19.660 19.000 -0.411 0.000 1.131 242 A HN 0.567 8.717 8.150 -0.000 0.000 0.493 243 R N 0.521 120.881 120.500 -0.233 0.000 2.560 243 R HA 0.306 4.647 4.340 0.001 0.000 0.267 243 R C -2.448 173.919 176.300 0.112 0.000 1.150 243 R CA -0.411 55.663 56.100 -0.043 0.000 0.997 243 R CB 1.509 31.792 30.300 -0.029 0.000 1.250 243 R HN 0.804 9.074 8.270 -0.000 0.000 0.433 244 Y N 2.065 122.351 120.300 -0.024 0.000 2.274 244 Y HA 0.185 4.735 4.550 0.001 0.000 0.323 244 Y C 0.033 175.957 175.900 0.039 0.000 1.171 244 Y CA -0.438 57.685 58.100 0.038 0.000 1.163 244 Y CB 1.239 39.715 38.460 0.026 0.000 1.183 244 Y HN 0.315 8.595 8.280 -0.000 0.000 0.424 245 V N 4.184 123.948 119.914 -0.249 0.000 2.788 245 V HA 0.121 4.242 4.120 0.001 0.000 0.251 245 V C 1.712 177.590 176.094 -0.359 0.000 1.068 245 V CA 1.963 64.132 62.300 -0.219 0.000 1.090 245 V CB -0.276 31.461 31.823 -0.144 0.000 0.710 245 V HN 1.241 9.431 8.190 -0.000 0.000 0.467 246 G N -0.084 108.251 108.800 -0.776 0.000 2.284 246 G HA2 -0.274 3.687 3.960 0.001 0.000 0.230 246 G HA3 -0.274 3.687 3.960 0.001 0.000 0.230 246 G C 0.677 175.414 174.900 -0.273 0.000 1.021 246 G CA 0.358 45.103 45.100 -0.591 0.000 0.619 246 G HN 0.584 8.874 8.290 -0.000 0.000 0.510 247 S N 1.031 116.598 115.700 -0.222 0.000 2.404 247 S HA 0.579 5.050 4.470 0.001 0.000 0.309 247 S C 1.575 176.057 174.600 -0.197 0.000 1.076 247 S CA 0.609 58.723 58.200 -0.143 0.000 1.095 247 S CB 0.465 63.606 63.200 -0.098 0.000 0.972 247 S HN 0.519 8.829 8.310 -0.000 0.000 0.484 248 M N 5.931 125.421 119.600 -0.183 0.000 2.226 248 M HA -0.162 4.319 4.480 0.001 0.000 0.257 248 M C 1.473 177.531 176.300 -0.404 0.000 1.070 248 M CA 2.503 57.616 55.300 -0.312 0.000 1.087 248 M CB -0.707 31.762 32.600 -0.219 0.000 1.278 248 M HN 0.595 8.885 8.290 -0.000 0.000 0.426 249 V N 1.104 120.823 119.914 -0.325 0.000 2.277 249 V HA -0.377 3.744 4.120 0.001 0.000 0.253 249 V C 2.735 178.622 176.094 -0.346 0.000 1.067 249 V CA 2.373 64.424 62.300 -0.415 0.000 1.047 249 V CB -1.786 29.866 31.823 -0.285 0.000 0.649 249 V HN 0.750 8.940 8.190 -0.000 0.000 0.447 250 A N -0.387 122.300 122.820 -0.222 0.000 1.858 250 A HA -0.253 4.068 4.320 0.001 0.000 0.216 250 A C 2.053 179.553 177.584 -0.141 0.000 1.190 250 A CA 2.037 53.996 52.037 -0.131 0.000 0.617 250 A CB -0.661 18.280 19.000 -0.098 0.000 0.827 250 A HN 0.589 8.739 8.150 -0.000 0.000 0.443 251 D N -0.144 120.110 120.400 -0.243 0.000 2.078 251 D HA -0.120 4.521 4.640 0.001 0.000 0.193 251 D C 2.145 178.254 176.300 -0.319 0.000 0.990 251 D CA 1.698 55.548 54.000 -0.250 0.000 0.827 251 D CB -0.637 39.968 40.800 -0.325 0.000 0.975 251 D HN 0.190 8.560 8.370 -0.000 0.000 0.451 252 V N 0.963 120.546 119.914 -0.551 0.000 2.324 252 V HA -0.278 3.843 4.120 0.001 0.000 0.250 252 V C 2.367 178.320 176.094 -0.234 0.000 1.060 252 V CA 1.865 63.897 62.300 -0.446 0.000 1.042 252 V CB -0.656 30.846 31.823 -0.536 0.000 0.650 252 V HN 0.241 8.431 8.190 -0.000 0.000 0.450 253 H N 0.384 119.272 119.070 -0.303 0.000 2.353 253 H HA -0.135 4.422 4.556 0.001 0.000 0.300 253 H C 2.479 177.750 175.328 -0.094 0.000 1.090 253 H CA 2.149 58.117 56.048 -0.132 0.000 1.327 253 H CB -0.143 29.579 29.762 -0.067 0.000 1.383 253 H HN 0.194 8.474 8.280 -0.000 0.000 0.508 254 R N -0.301 120.133 120.500 -0.109 0.000 2.096 254 R HA -0.117 4.224 4.340 0.001 0.000 0.235 254 R C 1.711 177.969 176.300 -0.070 0.000 1.127 254 R CA 1.841 57.890 56.100 -0.084 0.000 0.968 254 R CB -0.420 29.916 30.300 0.059 0.000 0.861 254 R HN 0.385 8.655 8.270 -0.000 0.000 0.440 255 T N 1.841 116.362 114.554 -0.054 0.000 2.746 255 T HA -0.157 4.194 4.350 0.001 0.000 0.267 255 T C 1.685 176.350 174.700 -0.059 0.000 1.039 255 T CA 1.260 63.355 62.100 -0.008 0.000 1.142 255 T CB -0.195 68.686 68.868 0.022 0.000 0.866 255 T HN 0.177 8.417 8.240 -0.000 0.000 0.444 256 L N 1.042 122.184 121.223 -0.134 0.000 2.093 256 L HA 0.038 4.379 4.340 0.001 0.000 0.208 256 L C 2.258 178.998 176.870 -0.218 0.000 1.085 256 L CA 1.357 56.108 54.840 -0.149 0.000 0.755 256 L CB -0.397 41.581 42.059 -0.136 0.000 0.904 256 L HN 0.066 8.296 8.230 -0.000 0.000 0.435 257 V N -1.469 118.230 119.914 -0.358 0.000 2.300 257 V HA -0.200 3.921 4.120 0.001 0.000 0.241 257 V C 2.028 177.916 176.094 -0.344 0.000 1.034 257 V CA 1.467 63.503 62.300 -0.441 0.000 1.021 257 V CB -0.764 30.639 31.823 -0.701 0.000 0.662 257 V HN 0.350 8.540 8.190 -0.000 0.000 0.458 258 Y N 0.826 121.061 120.300 -0.109 0.000 2.517 258 Y HA 0.488 5.039 4.550 0.001 0.000 0.281 258 Y C 1.450 177.306 175.900 -0.074 0.000 1.125 258 Y CA 0.247 58.298 58.100 -0.082 0.000 1.283 258 Y CB -0.476 37.938 38.460 -0.076 0.000 1.042 258 Y HN 0.381 8.661 8.280 -0.000 0.000 0.547 259 G N -0.693 108.140 108.800 0.055 0.000 2.730 259 G HA2 0.358 4.319 3.960 0.001 0.000 0.686 259 G HA3 0.358 4.319 3.960 0.001 0.000 0.686 259 G C 0.043 174.967 174.900 0.040 0.000 1.343 259 G CA -0.386 44.733 45.100 0.030 0.000 0.826 259 G HN 1.047 9.337 8.290 -0.000 0.000 0.582 260 G N -0.754 108.077 108.800 0.052 0.000 2.260 260 G HA2 0.511 4.472 3.960 0.001 0.000 0.250 260 G HA3 0.511 4.472 3.960 0.001 0.000 0.250 260 G C -0.929 174.065 174.900 0.156 0.000 1.340 260 G CA 0.065 45.217 45.100 0.087 0.000 1.056 260 G HN 2.184 10.474 8.290 -0.000 0.000 0.471 261 I N -0.344 120.359 120.570 0.221 0.000 2.656 261 I HA 0.748 4.919 4.170 0.001 0.000 0.292 261 I C -1.697 174.573 176.117 0.255 0.000 1.144 261 I CA -1.213 60.218 61.300 0.218 0.000 1.038 261 I CB 1.879 40.031 38.000 0.253 0.000 1.244 261 I HN 0.722 8.932 8.210 -0.000 0.000 0.420 262 F N 8.191 128.172 119.950 0.052 0.000 2.482 262 F HA 0.768 5.295 4.527 0.001 0.000 0.331 262 F C -1.948 173.859 175.800 0.013 0.000 1.115 262 F CA -0.643 57.395 58.000 0.065 0.000 0.955 262 F CB 1.443 40.477 39.000 0.056 0.000 1.136 262 F HN 0.208 8.508 8.300 -0.000 0.000 0.452 263 L N 6.862 127.580 121.223 -0.842 0.000 2.408 263 L HA 0.423 4.764 4.340 0.001 0.000 0.268 263 L C -1.569 174.862 176.870 -0.732 0.000 0.986 263 L CA -0.723 53.699 54.840 -0.697 0.000 0.820 263 L CB 1.887 43.678 42.059 -0.446 0.000 1.303 263 L HN 0.627 8.857 8.230 -0.000 0.000 0.411 264 Y N 3.960 123.958 120.300 -0.503 0.000 2.580 264 Y HA 0.386 4.936 4.550 0.001 0.000 0.305 264 Y C -2.620 173.225 175.900 -0.092 0.000 1.069 264 Y CA -1.747 56.216 58.100 -0.227 0.000 1.193 264 Y CB 0.978 39.376 38.460 -0.104 0.000 1.126 264 Y HN 0.400 8.680 8.280 -0.000 0.000 0.610 265 P HA 0.362 4.782 4.420 -0.000 0.000 0.276 265 P C -0.280 177.090 177.300 0.115 0.000 1.261 265 P CA -0.208 62.904 63.100 0.020 0.000 0.800 265 P CB 1.381 33.066 31.700 -0.026 0.000 1.066 266 A N 1.465 124.361 122.820 0.128 0.000 2.313 266 A HA 0.455 4.776 4.320 0.001 0.000 0.261 266 A C 0.539 178.209 177.584 0.143 0.000 1.090 266 A CA 0.102 52.221 52.037 0.136 0.000 0.807 266 A CB -0.534 18.538 19.000 0.119 0.000 1.055 266 A HN 0.839 8.989 8.150 -0.000 0.000 0.492 267 N N -0.436 118.333 118.700 0.115 0.000 3.451 267 N HA 0.155 4.896 4.740 0.001 0.000 0.272 267 N C 0.566 176.104 175.510 0.047 0.000 1.395 267 N CA 0.029 53.136 53.050 0.096 0.000 0.818 267 N CB 0.148 38.686 38.487 0.085 0.000 3.402 267 N HN 0.443 8.823 8.380 -0.000 0.000 0.400 268 K N 0.329 120.730 120.400 0.002 0.000 2.137 268 K HA 0.169 4.490 4.320 0.001 0.000 0.202 268 K C 0.761 177.350 176.600 -0.018 0.000 1.052 268 K CA 0.702 56.979 56.287 -0.018 0.000 0.961 268 K CB 0.015 32.482 32.500 -0.055 0.000 0.741 268 K HN 0.323 8.573 8.250 -0.000 0.000 0.452 269 K N 0.472 120.855 120.400 -0.029 0.000 2.592 269 K HA -0.001 4.320 4.320 0.001 0.000 0.241 269 K C 0.521 177.134 176.600 0.023 0.000 1.108 269 K CA 0.241 56.520 56.287 -0.014 0.000 1.213 269 K CB -0.401 32.086 32.500 -0.021 0.000 1.607 269 K HN -0.093 8.157 8.250 -0.000 0.000 0.509 270 S N 1.734 117.462 115.700 0.047 0.000 2.481 270 S HA 0.136 4.607 4.470 0.001 0.000 0.276 270 S C -2.177 172.467 174.600 0.072 0.000 1.247 270 S CA -1.465 56.770 58.200 0.057 0.000 1.053 270 S CB 0.599 63.839 63.200 0.066 0.000 0.925 270 S HN 0.100 8.410 8.310 -0.000 0.000 0.491 271 P HA 0.124 4.544 4.420 -0.000 0.000 0.247 271 P C -0.514 176.831 177.300 0.076 0.000 1.225 271 P CA 0.453 63.596 63.100 0.071 0.000 0.768 271 P CB -0.125 31.610 31.700 0.059 0.000 1.020 272 N N -0.882 117.862 118.700 0.072 0.000 2.235 272 N HA 0.342 5.083 4.740 0.001 0.000 0.231 272 N C 0.646 176.204 175.510 0.080 0.000 1.177 272 N CA 0.192 53.281 53.050 0.065 0.000 0.874 272 N CB 0.521 39.036 38.487 0.047 0.000 1.097 272 N HN -0.020 8.360 8.380 -0.000 0.000 0.518 273 G N 1.328 110.199 108.800 0.117 0.000 2.782 273 G HA2 -0.314 3.647 3.960 0.001 0.000 0.228 273 G HA3 -0.314 3.647 3.960 0.001 0.000 0.228 273 G C 0.120 175.125 174.900 0.175 0.000 1.372 273 G CA 0.052 45.260 45.100 0.180 0.000 0.862 273 G HN 0.288 8.578 8.290 -0.000 0.000 0.547 274 K N -1.099 119.431 120.400 0.216 0.000 2.387 274 K HA 0.323 4.644 4.320 0.001 0.000 0.197 274 K C 1.274 177.841 176.600 -0.056 0.000 1.127 274 K CA -0.191 56.158 56.287 0.103 0.000 0.950 274 K CB -0.012 32.618 32.500 0.215 0.000 1.017 274 K HN 0.501 8.751 8.250 -0.000 0.000 0.519 275 L N 3.364 124.502 121.223 -0.142 0.000 2.461 275 L HA 0.141 4.482 4.340 0.001 0.000 0.272 275 L C 0.296 177.115 176.870 -0.085 0.000 1.197 275 L CA -0.533 54.224 54.840 -0.139 0.000 0.836 275 L CB 0.297 42.284 42.059 -0.120 0.000 1.105 275 L HN 0.103 8.333 8.230 -0.000 0.000 0.477 276 R N 1.957 122.384 120.500 -0.122 0.000 2.390 276 R HA 0.111 4.452 4.340 0.001 0.000 0.291 276 R C 0.718 176.854 176.300 -0.272 0.000 1.070 276 R CA -0.499 55.452 56.100 -0.248 0.000 1.014 276 R CB 0.839 30.823 30.300 -0.525 0.000 1.007 276 R HN 0.520 8.790 8.270 -0.000 0.000 0.466 277 L N 3.797 124.890 121.223 -0.216 0.000 2.005 277 L HA -0.081 4.260 4.340 0.001 0.000 0.207 277 L C 1.963 178.743 176.870 -0.150 0.000 1.072 277 L CA 1.635 56.393 54.840 -0.135 0.000 0.744 277 L CB -0.477 41.537 42.059 -0.075 0.000 0.895 277 L HN 0.643 8.873 8.230 -0.000 0.000 0.433 278 L N -0.862 120.228 121.223 -0.222 0.000 1.990 278 L HA -0.248 4.093 4.340 0.001 0.000 0.213 278 L C 1.695 178.567 176.870 0.004 0.000 1.072 278 L CA 1.956 56.744 54.840 -0.086 0.000 0.755 278 L CB -0.559 41.467 42.059 -0.054 0.000 0.889 278 L HN 0.595 8.825 8.230 -0.000 0.000 0.432 279 Y N -3.350 116.999 120.300 0.082 0.000 2.696 279 Y HA 0.420 4.971 4.550 0.001 0.000 0.260 279 Y C 1.126 177.051 175.900 0.042 0.000 1.165 279 Y CA -0.678 57.464 58.100 0.070 0.000 1.189 279 Y CB -0.370 38.123 38.460 0.055 0.000 1.180 279 Y HN 0.090 8.370 8.280 -0.000 0.000 0.538 280 E N -0.852 119.361 120.200 0.021 0.000 3.590 280 E HA 0.077 4.428 4.350 0.001 0.000 0.223 280 E C 1.222 177.820 176.600 -0.004 0.000 1.195 280 E CA 0.729 57.149 56.400 0.033 0.000 1.670 280 E CB -0.180 29.528 29.700 0.013 0.000 1.578 280 E HN 0.344 8.704 8.360 -0.000 0.000 0.763 281 C N 1.430 120.718 119.300 -0.021 0.000 2.489 281 C HA 0.011 4.472 4.460 0.001 0.000 0.279 281 C C 2.424 177.432 174.990 0.031 0.000 1.266 281 C CA 0.860 59.884 59.018 0.009 0.000 1.707 281 C CB -1.254 26.488 27.740 0.002 0.000 2.059 281 C HN 0.454 8.684 8.230 -0.000 0.000 0.481 282 N N 1.191 119.915 118.700 0.040 0.000 2.043 282 N HA -0.125 4.616 4.740 0.001 0.000 0.193 282 N C -1.019 174.537 175.510 0.076 0.000 1.037 282 N CA 1.520 54.620 53.050 0.084 0.000 0.851 282 N CB -0.751 37.816 38.487 0.133 0.000 1.027 282 N HN 0.401 8.781 8.380 -0.000 0.000 0.422 283 P HA -0.149 4.271 4.420 -0.000 0.000 0.215 283 P C 1.203 178.531 177.300 0.047 0.000 1.157 283 P CA 1.267 64.352 63.100 -0.024 0.000 0.868 283 P CB 0.085 31.735 31.700 -0.083 0.000 0.788 284 M N -1.165 118.452 119.600 0.028 0.000 2.159 284 M HA -0.081 4.400 4.480 0.001 0.000 0.263 284 M C 2.113 178.447 176.300 0.057 0.000 1.063 284 M CA 1.815 57.128 55.300 0.022 0.000 1.110 284 M CB -1.965 30.605 32.600 -0.050 0.000 1.374 284 M HN -0.104 8.186 8.290 -0.000 0.000 0.411 285 A N -0.591 122.272 122.820 0.072 0.000 1.877 285 A HA -0.224 4.097 4.320 0.001 0.000 0.216 285 A C 2.179 179.814 177.584 0.086 0.000 1.186 285 A CA 1.511 53.590 52.037 0.070 0.000 0.620 285 A CB -1.258 17.787 19.000 0.074 0.000 0.822 285 A HN 0.489 8.639 8.150 -0.000 0.000 0.443 286 Y N 0.809 121.112 120.300 0.004 0.000 2.128 286 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 286 Y C 2.371 178.269 175.900 -0.003 0.000 1.154 286 Y CA 2.135 60.236 58.100 0.001 0.000 1.149 286 Y CB -0.347 38.105 38.460 -0.013 0.000 0.976 286 Y HN 0.077 8.357 8.280 -0.000 0.000 0.505 287 V N -0.007 120.014 119.914 0.177 0.000 2.295 287 V HA -0.376 3.745 4.120 0.001 0.000 0.246 287 V C 2.455 178.549 176.094 0.000 0.000 1.049 287 V CA 2.011 64.367 62.300 0.094 0.000 1.024 287 V CB -0.732 31.181 31.823 0.150 0.000 0.648 287 V HN 0.419 8.609 8.190 -0.000 0.000 0.447 288 M N -0.175 119.432 119.600 0.013 0.000 2.082 288 M HA -0.214 4.267 4.480 0.001 0.000 0.258 288 M C 2.265 178.536 176.300 -0.048 0.000 1.071 288 M CA 1.855 57.150 55.300 -0.009 0.000 1.103 288 M CB -1.319 31.284 32.600 0.005 0.000 1.307 288 M HN 0.438 8.728 8.290 -0.000 0.000 0.409 289 E N -0.450 119.706 120.200 -0.073 0.000 2.130 289 E HA -0.209 4.142 4.350 0.001 0.000 0.196 289 E C 1.917 178.427 176.600 -0.150 0.000 0.998 289 E CA 0.906 57.244 56.400 -0.104 0.000 0.806 289 E CB -0.065 29.568 29.700 -0.113 0.000 0.738 289 E HN 0.323 8.683 8.360 -0.000 0.000 0.459 290 K N -0.061 120.203 120.400 -0.228 0.000 2.283 290 K HA -0.021 4.300 4.320 0.001 0.000 0.202 290 K C 1.539 178.074 176.600 -0.107 0.000 1.048 290 K CA 0.720 56.879 56.287 -0.213 0.000 0.948 290 K CB 0.149 32.477 32.500 -0.286 0.000 0.742 290 K HN 0.055 8.305 8.250 -0.000 0.000 0.458 291 A N -0.179 122.593 122.820 -0.080 0.000 2.308 291 A HA 0.360 4.680 4.320 0.001 0.000 0.217 291 A C 1.157 178.714 177.584 -0.044 0.000 1.216 291 A CA 0.721 52.726 52.037 -0.053 0.000 0.864 291 A CB 0.052 19.027 19.000 -0.041 0.000 0.902 291 A HN 0.303 8.453 8.150 -0.000 0.000 0.499 292 G N -1.943 106.828 108.800 -0.047 0.000 2.141 292 G HA2 0.006 3.967 3.960 0.001 0.000 0.231 292 G HA3 0.006 3.967 3.960 0.001 0.000 0.231 292 G C 0.657 175.544 174.900 -0.021 0.000 0.984 292 G CA 0.236 45.316 45.100 -0.032 0.000 0.660 292 G HN 1.287 9.577 8.290 -0.000 0.000 0.525 293 G N -1.033 107.754 108.800 -0.023 0.000 2.671 293 G HA2 0.828 4.789 3.960 0.001 0.000 0.275 293 G HA3 0.828 4.789 3.960 0.001 0.000 0.275 293 G C -0.171 174.722 174.900 -0.011 0.000 1.368 293 G CA -0.786 44.309 45.100 -0.009 0.000 1.044 293 G HN 0.440 8.730 8.290 -0.000 0.000 0.543 294 M N -0.733 118.865 119.600 -0.004 0.000 2.593 294 M HA 0.619 5.100 4.480 0.001 0.000 0.290 294 M C -0.975 175.319 176.300 -0.010 0.000 1.244 294 M CA -0.837 54.458 55.300 -0.008 0.000 0.857 294 M CB 2.919 35.516 32.600 -0.005 0.000 1.738 294 M HN 0.606 8.896 8.290 -0.000 0.000 0.461 295 A N 1.459 124.272 122.820 -0.012 0.000 2.569 295 A HA 0.646 4.967 4.320 0.001 0.000 0.282 295 A C -0.814 176.754 177.584 -0.026 0.000 1.165 295 A CA -0.528 51.501 52.037 -0.013 0.000 0.747 295 A CB 1.283 20.290 19.000 0.012 0.000 1.215 295 A HN 0.727 8.877 8.150 -0.000 0.000 0.431 296 T N 0.261 114.778 114.554 -0.061 0.000 2.940 296 T HA 0.567 4.918 4.350 0.001 0.000 0.288 296 T C 1.256 175.896 174.700 -0.100 0.000 1.033 296 T CA 0.490 62.545 62.100 -0.075 0.000 1.033 296 T CB 1.269 70.084 68.868 -0.088 0.000 1.079 296 T HN 1.058 9.298 8.240 -0.000 0.000 0.496 297 T N -0.439 114.060 114.554 -0.091 0.000 3.069 297 T HA 0.462 4.813 4.350 0.001 0.000 0.252 297 T C 1.461 176.077 174.700 -0.140 0.000 1.053 297 T CA 0.829 62.880 62.100 -0.082 0.000 0.964 297 T CB -0.087 68.760 68.868 -0.035 0.000 1.005 297 T HN 1.243 9.483 8.240 -0.000 0.000 0.532 298 G N 1.931 110.582 108.800 -0.250 0.000 2.604 298 G HA2 -0.264 3.697 3.960 0.001 0.000 0.205 298 G HA3 -0.264 3.697 3.960 0.001 0.000 0.205 298 G C 0.980 175.462 174.900 -0.697 0.000 1.186 298 G CA 0.221 44.949 45.100 -0.619 0.000 0.753 298 G HN 0.485 8.775 8.290 -0.000 0.000 0.526 299 K N 1.101 121.348 120.400 -0.254 0.000 2.099 299 K HA 0.262 4.583 4.320 0.001 0.000 0.203 299 K C 1.124 177.703 176.600 -0.035 0.000 1.047 299 K CA 1.323 57.581 56.287 -0.049 0.000 0.963 299 K CB 0.091 32.622 32.500 0.052 0.000 0.759 299 K HN 0.730 8.980 8.250 -0.000 0.000 0.451 300 E N -0.075 120.101 120.200 -0.039 0.000 2.445 300 E HA 0.553 4.904 4.350 0.001 0.000 0.273 300 E C -1.429 175.157 176.600 -0.024 0.000 0.961 300 E CA -1.138 55.252 56.400 -0.018 0.000 0.807 300 E CB 1.400 31.102 29.700 0.003 0.000 1.362 300 E HN -0.019 8.341 8.360 -0.000 0.000 0.453 301 A N 1.018 123.834 122.820 -0.008 0.000 2.477 301 A HA 0.226 4.547 4.320 0.001 0.000 0.246 301 A C 1.141 178.729 177.584 0.008 0.000 1.078 301 A CA -0.378 51.658 52.037 -0.003 0.000 0.770 301 A CB 0.430 19.435 19.000 0.008 0.000 1.011 301 A HN 0.488 8.638 8.150 -0.000 0.000 0.494 302 V N 3.195 123.114 119.914 0.009 0.000 2.392 302 V HA -0.259 3.862 4.120 0.001 0.000 0.249 302 V C 2.214 178.335 176.094 0.045 0.000 1.059 302 V CA 2.142 64.455 62.300 0.022 0.000 1.051 302 V CB -0.884 30.955 31.823 0.026 0.000 0.658 302 V HN 0.817 9.007 8.190 -0.000 0.000 0.455 303 L N -0.291 120.969 121.223 0.061 0.000 2.465 303 L HA -0.084 4.257 4.340 0.001 0.000 0.224 303 L C 1.869 178.784 176.870 0.075 0.000 1.145 303 L CA 0.914 55.810 54.840 0.094 0.000 0.834 303 L CB -0.531 41.599 42.059 0.119 0.000 0.944 303 L HN 0.387 8.617 8.230 -0.000 0.000 0.451 304 D N -0.549 119.880 120.400 0.048 0.000 2.301 304 D HA 0.038 4.679 4.640 0.001 0.000 0.206 304 D C 0.954 177.269 176.300 0.025 0.000 0.979 304 D CA 0.289 54.310 54.000 0.036 0.000 0.874 304 D CB 0.441 41.257 40.800 0.027 0.000 0.968 304 D HN -0.003 8.367 8.370 -0.000 0.000 0.510 305 V N 2.217 122.144 119.914 0.022 0.000 2.814 305 V HA -0.094 4.027 4.120 0.001 0.000 0.307 305 V C 0.808 176.904 176.094 0.004 0.000 1.089 305 V CA 0.476 62.783 62.300 0.012 0.000 1.212 305 V CB 0.816 32.645 31.823 0.010 0.000 0.912 305 V HN 0.040 8.230 8.190 -0.000 0.000 0.497 306 I N 6.048 126.615 120.570 -0.004 0.000 2.354 306 I HA 0.325 4.496 4.170 0.001 0.000 0.286 306 I C -2.179 173.923 176.117 -0.025 0.000 1.007 306 I CA -1.924 59.366 61.300 -0.018 0.000 1.167 306 I CB 1.929 39.920 38.000 -0.015 0.000 1.320 306 I HN 0.493 8.703 8.210 -0.000 0.000 0.458 307 P HA 0.008 4.428 4.420 -0.000 0.000 0.261 307 P C 0.145 177.422 177.300 -0.039 0.000 1.173 307 P CA 0.467 63.538 63.100 -0.047 0.000 0.760 307 P CB 0.743 32.399 31.700 -0.074 0.000 0.783 308 T N -0.415 114.120 114.554 -0.031 0.000 3.138 308 T HA 0.075 4.426 4.350 0.001 0.000 0.245 308 T C 0.190 174.876 174.700 -0.025 0.000 0.982 308 T CA 0.543 62.630 62.100 -0.021 0.000 1.134 308 T CB -0.001 68.861 68.868 -0.010 0.000 1.032 308 T HN 0.422 8.662 8.240 -0.000 0.000 0.442 309 D N 0.498 120.880 120.400 -0.029 0.000 2.299 309 D HA 0.343 4.984 4.640 0.001 0.000 0.243 309 D C 1.215 177.469 176.300 -0.077 0.000 0.982 309 D CA -0.876 53.099 54.000 -0.041 0.000 0.924 309 D CB 1.235 42.026 40.800 -0.015 0.000 1.238 309 D HN 0.250 8.620 8.370 -0.000 0.000 0.484 310 I N -0.024 120.457 120.570 -0.150 0.000 2.500 310 I HA -0.017 4.154 4.170 0.001 0.000 0.252 310 I C 0.722 176.730 176.117 -0.182 0.000 1.142 310 I CA 0.755 61.937 61.300 -0.197 0.000 1.451 310 I CB -0.198 37.628 38.000 -0.289 0.000 1.093 310 I HN 0.257 8.467 8.210 -0.000 0.000 0.430 311 H N 2.128 121.206 119.070 0.013 0.000 2.538 311 H HA 0.232 4.789 4.556 0.002 0.000 0.286 311 H C 0.450 175.746 175.328 -0.053 0.000 1.035 311 H CA -0.233 55.818 56.048 0.004 0.000 1.169 311 H CB -0.500 29.290 29.762 0.047 0.000 1.417 311 H HN 0.568 8.848 8.280 -0.000 0.000 0.567 312 Q N 1.766 121.573 119.800 0.010 0.000 2.304 312 Q HA 0.008 4.348 4.340 0.001 0.000 0.301 312 Q C -0.258 175.720 176.000 -0.037 0.000 1.063 312 Q CA 0.177 55.974 55.803 -0.010 0.000 0.947 312 Q CB 0.737 29.458 28.738 -0.028 0.000 1.201 312 Q HN 0.359 8.629 8.270 -0.000 0.000 0.389 313 R N 1.400 121.893 120.500 -0.011 0.000 2.607 313 R HA 0.829 5.170 4.340 0.001 0.000 0.261 313 R C -1.047 175.251 176.300 -0.003 0.000 1.051 313 R CA -0.295 55.797 56.100 -0.014 0.000 1.110 313 R CB 1.552 31.862 30.300 0.017 0.000 1.158 313 R HN 0.716 8.986 8.270 -0.000 0.000 0.543 314 A N 1.040 123.864 122.820 0.007 0.000 2.605 314 A HA 0.554 4.875 4.320 0.001 0.000 0.294 314 A C -2.829 174.784 177.584 0.049 0.000 1.062 314 A CA -1.570 50.479 52.037 0.021 0.000 0.682 314 A CB 1.891 20.893 19.000 0.002 0.000 1.278 314 A HN 0.395 8.545 8.150 -0.000 0.000 0.410 315 P HA 0.577 4.997 4.420 -0.000 0.000 0.282 315 P C -1.009 176.304 177.300 0.022 0.000 1.249 315 P CA -0.350 62.789 63.100 0.064 0.000 0.806 315 P CB 1.471 33.200 31.700 0.048 0.000 0.984 316 V N 3.921 123.846 119.914 0.018 0.000 2.808 316 V HA 0.476 4.597 4.120 0.001 0.000 0.308 316 V C -0.550 175.466 176.094 -0.131 0.000 1.099 316 V CA -0.393 61.898 62.300 -0.016 0.000 0.920 316 V CB 2.038 33.913 31.823 0.087 0.000 1.014 316 V HN 0.301 8.491 8.190 -0.000 0.000 0.425 317 I N 6.034 126.487 120.570 -0.195 0.000 2.500 317 I HA 0.715 4.886 4.170 0.001 0.000 0.286 317 I C -0.764 175.253 176.117 -0.167 0.000 1.063 317 I CA -0.096 60.999 61.300 -0.342 0.000 1.062 317 I CB 1.747 39.289 38.000 -0.763 0.000 1.223 317 I HN 0.627 8.837 8.210 -0.000 0.000 0.435 318 L N 3.980 125.180 121.223 -0.037 0.000 2.491 318 L HA 1.176 5.517 4.340 0.001 0.000 0.254 318 L C 0.119 177.027 176.870 0.064 0.000 1.048 318 L CA -0.398 54.456 54.840 0.023 0.000 0.855 318 L CB 1.474 43.577 42.059 0.072 0.000 1.466 318 L HN 0.785 9.015 8.230 -0.000 0.000 0.409 319 G N -0.821 108.007 108.800 0.046 0.000 2.236 319 G HA2 0.117 4.078 3.960 0.001 0.000 0.231 319 G HA3 0.117 4.078 3.960 0.001 0.000 0.231 319 G C -1.018 173.906 174.900 0.040 0.000 1.334 319 G CA -0.370 44.763 45.100 0.055 0.000 1.137 319 G HN 0.846 9.136 8.290 -0.000 0.000 0.482 320 S N 2.816 118.549 115.700 0.055 0.000 2.552 320 S HA 0.347 4.818 4.470 0.001 0.000 0.289 320 S C -1.045 173.588 174.600 0.055 0.000 1.304 320 S CA 0.208 58.438 58.200 0.051 0.000 1.063 320 S CB 1.487 64.725 63.200 0.064 0.000 0.848 320 S HN 0.429 8.739 8.310 -0.000 0.000 0.499 321 P HA -0.173 4.247 4.420 -0.000 0.000 0.208 321 P C 0.936 178.271 177.300 0.058 0.000 1.180 321 P CA 1.164 64.287 63.100 0.038 0.000 0.935 321 P CB 0.019 31.736 31.700 0.029 0.000 0.785 322 D N -0.752 119.690 120.400 0.070 0.000 2.157 322 D HA -0.204 4.437 4.640 0.001 0.000 0.191 322 D C 1.663 178.039 176.300 0.127 0.000 1.004 322 D CA 1.375 55.429 54.000 0.091 0.000 0.854 322 D CB -1.006 39.853 40.800 0.098 0.000 0.936 322 D HN 0.253 8.623 8.370 -0.000 0.000 0.446 323 D N -0.280 120.216 120.400 0.159 0.000 2.117 323 D HA -0.091 4.550 4.640 0.001 0.000 0.197 323 D C 2.279 178.659 176.300 0.134 0.000 0.987 323 D CA 0.572 54.709 54.000 0.228 0.000 0.829 323 D CB -0.140 40.829 40.800 0.282 0.000 0.961 323 D HN 0.107 8.477 8.370 -0.000 0.000 0.460 324 V N 1.367 121.322 119.914 0.068 0.000 2.358 324 V HA -0.190 3.930 4.120 0.001 0.000 0.246 324 V C 2.659 178.788 176.094 0.059 0.000 1.047 324 V CA 0.987 63.292 62.300 0.008 0.000 1.035 324 V CB -0.368 31.449 31.823 -0.011 0.000 0.658 324 V HN 0.169 8.359 8.190 -0.000 0.000 0.452 325 L N -0.204 121.056 121.223 0.062 0.000 2.017 325 L HA -0.199 4.142 4.340 0.001 0.000 0.208 325 L C 2.607 179.516 176.870 0.064 0.000 1.073 325 L CA 2.004 56.879 54.840 0.060 0.000 0.745 325 L CB -0.620 41.471 42.059 0.053 0.000 0.894 325 L HN 0.392 8.622 8.230 -0.000 0.000 0.432 326 E N -0.159 120.097 120.200 0.093 0.000 2.209 326 E HA -0.275 4.076 4.350 0.001 0.000 0.196 326 E C 2.026 178.665 176.600 0.065 0.000 0.993 326 E CA 1.142 57.615 56.400 0.122 0.000 0.819 326 E CB -0.003 29.828 29.700 0.219 0.000 0.745 326 E HN 0.405 8.765 8.360 -0.000 0.000 0.477 327 F N 0.875 120.673 119.950 -0.253 0.000 2.053 327 F HA -0.085 4.443 4.527 0.002 0.000 0.292 327 F C 1.921 177.601 175.800 -0.201 0.000 1.125 327 F CA 1.236 58.908 58.000 -0.546 0.000 1.193 327 F CB -0.447 38.127 39.000 -0.711 0.000 0.996 327 F HN -0.067 8.233 8.300 -0.000 0.000 0.470 328 L N 0.528 121.731 121.223 -0.034 0.000 2.137 328 L HA -0.300 4.041 4.340 0.001 0.000 0.213 328 L C 2.453 179.287 176.870 -0.060 0.000 1.085 328 L CA 1.779 56.594 54.840 -0.042 0.000 0.760 328 L CB -0.912 41.179 42.059 0.052 0.000 0.893 328 L HN 0.201 8.431 8.230 -0.000 0.000 0.434 329 K N 0.511 120.880 120.400 -0.051 0.000 2.001 329 K HA -0.172 4.149 4.320 0.001 0.000 0.214 329 K C 1.833 178.402 176.600 -0.052 0.000 1.050 329 K CA 1.958 58.231 56.287 -0.022 0.000 0.934 329 K CB -0.658 31.846 32.500 0.007 0.000 0.718 329 K HN 0.061 8.311 8.250 -0.000 0.000 0.443 330 V N 0.415 120.257 119.914 -0.120 0.000 2.490 330 V HA -0.213 3.908 4.120 0.001 0.000 0.250 330 V C 2.067 178.039 176.094 -0.203 0.000 1.061 330 V CA 1.903 64.125 62.300 -0.130 0.000 1.064 330 V CB -0.671 31.052 31.823 -0.167 0.000 0.670 330 V HN 0.387 8.577 8.190 -0.000 0.000 0.461 331 Y N 1.303 121.295 120.300 -0.513 0.000 2.165 331 Y HA -0.269 4.282 4.550 0.001 0.000 0.286 331 Y C 2.553 178.363 175.900 -0.149 0.000 1.155 331 Y CA 2.234 60.069 58.100 -0.442 0.000 1.164 331 Y CB -0.013 38.153 38.460 -0.489 0.000 0.978 331 Y HN 0.359 8.639 8.280 -0.000 0.000 0.513 332 E N 0.146 120.338 120.200 -0.014 0.000 2.051 332 E HA -0.267 4.084 4.350 0.001 0.000 0.192 332 E C 2.074 178.643 176.600 -0.051 0.000 0.991 332 E CA 1.249 57.635 56.400 -0.023 0.000 0.799 332 E CB -0.279 29.437 29.700 0.026 0.000 0.748 332 E HN 0.356 8.716 8.360 -0.000 0.000 0.449 333 K N 0.740 121.140 120.400 0.001 0.000 2.374 333 K HA -0.191 4.130 4.320 0.001 0.000 0.202 333 K C 0.478 177.031 176.600 -0.078 0.000 1.044 333 K CA 1.236 57.523 56.287 0.000 0.000 0.933 333 K CB -0.068 32.471 32.500 0.065 0.000 0.745 333 K HN 0.352 8.602 8.250 -0.000 0.000 0.474 334 H N -1.434 117.507 119.070 -0.214 0.000 2.528 334 H HA 0.303 4.860 4.556 0.002 0.000 0.256 334 H C 0.009 175.171 175.328 -0.277 0.000 1.204 334 H CA 0.091 56.004 56.048 -0.224 0.000 0.955 334 H CB 0.694 30.311 29.762 -0.241 0.000 1.817 334 H HN 0.256 8.536 8.280 -0.000 0.000 0.579 335 S N 0.000 115.619 115.700 -0.135 0.000 2.498 335 S HA 0.000 4.471 4.470 0.001 0.000 0.327 335 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 335 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 335 S HN 0.000 8.310 8.310 -0.000 0.000 0.517