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 3ifq_1_A DATA FIRST_RESID 126 DATA SEQUENCE AIVHLINYQD DAELATRALP ELTKLLNDED PVVVTKAAMI VNQLSKKEAS DATA SEQUENCE RRALMGSPQL VAAVVRTMQN TSDLDTARCT TSILHNLSHH REGLLAIFKS DATA SEQUENCE GGIPALVRML SSPVESVLFY AITTLHNLLL YQEGAKMAVR LADGLQKMVP DATA SEQUENCE LLNKNNPKFL AITTDCLQLL AYGNQESKLI ILANGGPQAL VQIMRNYSYE DATA SEQUENCE KLLWTTSRVL KVLSVCPSNK PAIVEAGGMQ ALGKHLTSNS PRLVQNCLWT DATA SEQUENCE LRNLSDVATK QEGLESVLKI LVNQLSVDDV NVLTCATGTL SNLTCNNSKN DATA SEQUENCE KTLVTQNSGV EALIHAILRA GDKDDITEPA VCALRHLTSR HPEAEMAQNS DATA SEQUENCE VRLNYGIPAI VKLLNQPNQW PLVKATIGLI RNLALCPANH APLQEAAVIP DATA SEQUENCE RLVQLLVKAH QDAQRHVAAG TQQPYTDGVR MEEIVEGCTG ALHILARDPM DATA SEQUENCE NRMEIFRLNT IPLFVQLLYS SVENIQRVAA GVLCELAQDK EAADAIDAEG DATA SEQUENCE ASAPLMELLH SRNEGTATYA AAVLFRISED KNPXXRKRVS VELTNSLF 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 126 A HA 0.000 nan 4.320 nan 0.000 0.244 126 A C 0.000 177.727 177.584 0.238 0.000 1.274 126 A CA 0.000 52.178 52.037 0.234 0.000 0.836 126 A CB 0.000 19.056 19.000 0.093 0.000 0.831 127 I N -0.340 120.311 120.570 0.135 0.000 2.315 127 I HA -0.154 3.947 4.170 -0.116 0.000 0.251 127 I C 1.789 177.954 176.117 0.080 0.000 1.125 127 I CA 2.046 63.401 61.300 0.091 0.000 1.392 127 I CB -0.710 37.322 38.000 0.053 0.000 1.065 127 I HN 0.066 nan 8.210 nan 0.000 0.424 128 V N 1.779 121.723 119.914 0.050 0.000 2.407 128 V HA -0.275 3.776 4.120 -0.116 0.000 0.248 128 V C 2.440 178.472 176.094 -0.103 0.000 1.055 128 V CA 2.394 64.651 62.300 -0.072 0.000 1.049 128 V CB -1.375 30.332 31.823 -0.192 0.000 0.662 128 V HN 0.530 nan 8.190 nan 0.000 0.455 129 H N -0.905 118.197 119.070 0.053 0.000 2.470 129 H HA 0.032 4.520 4.556 -0.114 0.000 0.289 129 H C 2.000 177.415 175.328 0.146 0.000 1.033 129 H CA 1.227 57.316 56.048 0.067 0.000 1.331 129 H CB 0.001 29.798 29.762 0.058 0.000 1.414 129 H HN 0.308 nan 8.280 nan 0.000 0.545 130 L N 0.029 121.408 121.223 0.260 0.000 2.131 130 L HA -0.046 4.224 4.340 -0.116 0.000 0.206 130 L C 1.726 178.689 176.870 0.155 0.000 1.087 130 L CA 0.842 55.817 54.840 0.226 0.000 0.767 130 L CB -0.081 42.051 42.059 0.123 0.000 0.917 130 L HN 0.239 nan 8.230 nan 0.000 0.441 131 I N 0.283 120.912 120.570 0.098 0.000 2.179 131 I HA -0.329 3.772 4.170 -0.116 0.000 0.242 131 I C 1.127 177.288 176.117 0.074 0.000 1.088 131 I CA 1.865 63.202 61.300 0.062 0.000 1.357 131 I CB -0.359 37.658 38.000 0.028 0.000 1.051 131 I HN 0.367 nan 8.210 nan 0.000 0.409 132 N N -0.844 117.899 118.700 0.072 0.000 2.268 132 N HA -0.011 4.660 4.740 -0.116 0.000 0.204 132 N C 1.328 176.895 175.510 0.094 0.000 1.124 132 N CA -0.136 52.947 53.050 0.055 0.000 0.838 132 N CB 0.042 38.528 38.487 -0.001 0.000 0.994 132 N HN 0.273 nan 8.380 nan 0.000 0.489 133 Y N 1.357 121.673 120.300 0.026 0.000 2.165 133 Y HA -0.332 4.148 4.550 -0.116 0.000 0.286 133 Y C 2.548 178.458 175.900 0.017 0.000 1.155 133 Y CA 1.631 59.751 58.100 0.032 0.000 1.164 133 Y CB 0.199 38.679 38.460 0.033 0.000 0.978 133 Y HN 0.100 nan 8.280 nan 0.000 0.513 134 Q N 0.313 120.265 119.800 0.253 0.000 2.119 134 Q HA -0.170 4.101 4.340 -0.116 0.000 0.201 134 Q C 1.551 177.593 176.000 0.071 0.000 0.972 134 Q CA 2.072 57.969 55.803 0.157 0.000 0.847 134 Q CB -0.173 28.628 28.738 0.105 0.000 0.903 134 Q HN 0.460 nan 8.270 nan 0.000 0.433 135 D N -0.199 120.229 120.400 0.047 0.000 2.162 135 D HA -0.097 4.473 4.640 -0.116 0.000 0.203 135 D C 1.063 177.357 176.300 -0.010 0.000 0.967 135 D CA 0.981 54.990 54.000 0.015 0.000 0.840 135 D CB -0.075 40.731 40.800 0.010 0.000 0.972 135 D HN 0.294 nan 8.370 nan 0.000 0.482 136 D N 0.669 121.049 120.400 -0.033 0.000 2.144 136 D HA -0.043 4.528 4.640 -0.116 0.000 0.200 136 D C 2.002 178.246 176.300 -0.093 0.000 0.978 136 D CA 0.965 54.922 54.000 -0.071 0.000 0.833 136 D CB -0.197 40.539 40.800 -0.107 0.000 0.961 136 D HN 0.109 nan 8.370 nan 0.000 0.470 137 A N 0.718 123.473 122.820 -0.107 0.000 1.898 137 A HA -0.174 4.076 4.320 -0.116 0.000 0.216 137 A C 2.121 179.686 177.584 -0.033 0.000 1.181 137 A CA 1.563 53.549 52.037 -0.085 0.000 0.620 137 A CB -0.495 18.480 19.000 -0.042 0.000 0.819 137 A HN 0.224 nan 8.150 nan 0.000 0.442 138 E N -0.750 119.444 120.200 -0.011 0.000 2.072 138 E HA -0.155 4.125 4.350 -0.116 0.000 0.191 138 E C 1.861 178.455 176.600 -0.011 0.000 0.985 138 E CA 1.057 57.455 56.400 -0.003 0.000 0.801 138 E CB -0.144 29.560 29.700 0.007 0.000 0.750 138 E HN 0.414 nan 8.360 nan 0.000 0.452 139 L N 0.578 121.792 121.223 -0.016 0.000 2.093 139 L HA -0.040 4.231 4.340 -0.116 0.000 0.208 139 L C 2.158 179.016 176.870 -0.020 0.000 1.085 139 L CA 1.889 56.719 54.840 -0.016 0.000 0.755 139 L CB -0.544 41.505 42.059 -0.018 0.000 0.904 139 L HN 0.173 nan 8.230 nan 0.000 0.435 140 A N -1.131 121.670 122.820 -0.030 0.000 1.877 140 A HA -0.217 4.033 4.320 -0.116 0.000 0.216 140 A C 2.322 179.892 177.584 -0.024 0.000 1.186 140 A CA 2.336 54.353 52.037 -0.032 0.000 0.620 140 A CB -1.293 17.678 19.000 -0.048 0.000 0.822 140 A HN 0.572 nan 8.150 nan 0.000 0.443 141 T N -1.794 112.747 114.554 -0.022 0.000 2.821 141 T HA -0.155 4.126 4.350 -0.116 0.000 0.267 141 T C 1.930 176.624 174.700 -0.010 0.000 1.046 141 T CA 1.276 63.367 62.100 -0.015 0.000 1.139 141 T CB -0.350 68.512 68.868 -0.011 0.000 0.871 141 T HN 0.524 nan 8.240 nan 0.000 0.454 142 R N 1.561 122.056 120.500 -0.010 0.000 2.148 142 R HA 0.142 4.412 4.340 -0.116 0.000 0.227 142 R C 2.198 178.494 176.300 -0.007 0.000 1.103 142 R CA 1.094 57.190 56.100 -0.007 0.000 0.983 142 R CB -0.428 29.868 30.300 -0.006 0.000 0.874 142 R HN 0.484 nan 8.270 nan 0.000 0.451 143 A N 0.219 123.033 122.820 -0.010 0.000 2.308 143 A HA 0.163 4.413 4.320 -0.116 0.000 0.217 143 A C 1.820 179.398 177.584 -0.009 0.000 1.216 143 A CA -0.211 51.820 52.037 -0.009 0.000 0.864 143 A CB -0.010 18.983 19.000 -0.011 0.000 0.902 143 A HN 0.276 nan 8.150 nan 0.000 0.499 144 L N -0.075 121.142 121.223 -0.009 0.000 2.012 144 L HA -0.124 4.146 4.340 -0.116 0.000 0.210 144 L C -0.500 176.366 176.870 -0.006 0.000 1.073 144 L CA 1.643 56.477 54.840 -0.009 0.000 0.748 144 L CB -1.273 40.780 42.059 -0.009 0.000 0.891 144 L HN 0.229 nan 8.230 nan 0.000 0.431 145 P HA -0.162 nan 4.420 nan 0.000 0.215 145 P C 1.152 178.450 177.300 -0.003 0.000 1.153 145 P CA 1.266 64.364 63.100 -0.004 0.000 0.853 145 P CB 0.107 31.805 31.700 -0.003 0.000 0.788 146 E N -0.833 119.365 120.200 -0.004 0.000 2.107 146 E HA -0.062 4.219 4.350 -0.116 0.000 0.191 146 E C 2.032 178.630 176.600 -0.003 0.000 0.982 146 E CA 0.732 57.130 56.400 -0.003 0.000 0.809 146 E CB -1.038 28.660 29.700 -0.003 0.000 0.756 146 E HN 0.167 nan 8.360 nan 0.000 0.459 147 L N 0.455 121.675 121.223 -0.004 0.000 2.017 147 L HA -0.206 4.065 4.340 -0.116 0.000 0.208 147 L C 2.258 179.127 176.870 -0.003 0.000 1.073 147 L CA 1.600 56.437 54.840 -0.004 0.000 0.745 147 L CB -0.669 41.386 42.059 -0.006 0.000 0.894 147 L HN 0.217 nan 8.230 nan 0.000 0.432 148 T N -0.700 113.852 114.554 -0.003 0.000 2.701 148 T HA -0.224 4.057 4.350 -0.116 0.000 0.263 148 T C 1.871 176.570 174.700 -0.001 0.000 1.040 148 T CA 1.378 63.477 62.100 -0.002 0.000 1.147 148 T CB -0.191 68.675 68.868 -0.003 0.000 0.865 148 T HN 0.249 nan 8.240 nan 0.000 0.426 149 K N 1.181 121.580 120.400 -0.002 0.000 2.059 149 K HA -0.145 4.106 4.320 -0.116 0.000 0.212 149 K C 2.314 178.913 176.600 -0.001 0.000 1.050 149 K CA 1.455 57.741 56.287 -0.001 0.000 0.927 149 K CB -0.532 31.968 32.500 -0.001 0.000 0.714 149 K HN 0.319 nan 8.250 nan 0.000 0.447 150 L N 0.961 122.184 121.223 -0.001 0.000 2.042 150 L HA -0.208 4.062 4.340 -0.116 0.000 0.210 150 L C 2.605 179.476 176.870 0.001 0.000 1.076 150 L CA 1.050 55.890 54.840 -0.000 0.000 0.749 150 L CB -0.366 41.692 42.059 -0.000 0.000 0.893 150 L HN 0.263 nan 8.230 nan 0.000 0.432 151 L N -0.317 120.906 121.223 0.000 0.000 2.083 151 L HA -0.200 4.071 4.340 -0.116 0.000 0.209 151 L C 1.647 178.518 176.870 0.002 0.000 1.083 151 L CA 1.009 55.850 54.840 0.001 0.000 0.752 151 L CB -0.413 41.646 42.059 0.001 0.000 0.899 151 L HN 0.349 nan 8.230 nan 0.000 0.433 152 N N -0.633 118.068 118.700 0.001 0.000 2.449 152 N HA -0.046 4.624 4.740 -0.116 0.000 0.191 152 N C 0.191 175.701 175.510 0.001 0.000 1.161 152 N CA 0.201 53.251 53.050 0.001 0.000 0.863 152 N CB -0.413 38.074 38.487 -0.000 0.000 0.980 152 N HN 0.200 nan 8.380 nan 0.000 0.458 153 D N 0.948 121.349 120.400 0.001 0.000 2.472 153 D HA -0.047 4.524 4.640 -0.116 0.000 0.237 153 D C 0.560 176.861 176.300 0.001 0.000 1.141 153 D CA 0.375 54.376 54.000 0.001 0.000 0.875 153 D CB 0.888 41.689 40.800 0.001 0.000 1.192 153 D HN 0.232 nan 8.370 nan 0.000 0.450 154 E N 0.936 121.137 120.200 0.001 0.000 2.482 154 E HA -0.073 4.208 4.350 -0.116 0.000 0.196 154 E C -0.159 176.442 176.600 0.002 0.000 1.047 154 E CA 0.140 56.541 56.400 0.001 0.000 0.869 154 E CB 0.311 30.012 29.700 0.001 0.000 0.836 154 E HN 0.283 nan 8.360 nan 0.000 0.520 155 D N 0.817 121.218 120.400 0.002 0.000 2.359 155 D HA 0.053 4.623 4.640 -0.116 0.000 0.230 155 D C -1.608 174.694 176.300 0.002 0.000 1.118 155 D CA -2.720 51.281 54.000 0.002 0.000 0.844 155 D CB 1.286 42.087 40.800 0.002 0.000 1.059 155 D HN -0.170 nan 8.370 nan 0.000 0.493 156 P HA -0.157 nan 4.420 nan 0.000 0.220 156 P C 1.363 178.666 177.300 0.004 0.000 1.144 156 P CA 0.542 63.645 63.100 0.004 0.000 0.800 156 P CB 0.476 32.178 31.700 0.004 0.000 0.772 157 V N -0.346 119.570 119.914 0.003 0.000 2.379 157 V HA -0.133 3.918 4.120 -0.116 0.000 0.245 157 V C 2.762 178.857 176.094 0.003 0.000 1.044 157 V CA 1.394 63.695 62.300 0.003 0.000 1.036 157 V CB -1.047 30.777 31.823 0.002 0.000 0.664 157 V HN -0.039 nan 8.190 nan 0.000 0.453 158 V N -0.235 119.681 119.914 0.003 0.000 2.453 158 V HA -0.147 3.904 4.120 -0.116 0.000 0.247 158 V C 2.425 178.520 176.094 0.003 0.000 1.048 158 V CA 1.441 63.743 62.300 0.002 0.000 1.049 158 V CB -0.018 31.806 31.823 0.002 0.000 0.672 158 V HN 0.391 nan 8.190 nan 0.000 0.457 159 V N -0.280 119.636 119.914 0.003 0.000 2.261 159 V HA -0.308 3.743 4.120 -0.116 0.000 0.246 159 V C 2.686 178.783 176.094 0.004 0.000 1.047 159 V CA 2.753 65.055 62.300 0.004 0.000 1.015 159 V CB -1.010 30.816 31.823 0.004 0.000 0.642 159 V HN 0.655 nan 8.190 nan 0.000 0.446 160 T N -0.630 113.928 114.554 0.005 0.000 2.720 160 T HA -0.262 4.019 4.350 -0.116 0.000 0.268 160 T C 1.934 176.638 174.700 0.006 0.000 1.037 160 T CA 1.915 64.019 62.100 0.007 0.000 1.144 160 T CB -0.245 68.627 68.868 0.007 0.000 0.864 160 T HN 0.493 nan 8.240 nan 0.000 0.444 161 K N 0.401 120.804 120.400 0.005 0.000 2.097 161 K HA 0.011 4.262 4.320 -0.116 0.000 0.206 161 K C 2.535 179.137 176.600 0.003 0.000 1.049 161 K CA 1.212 57.501 56.287 0.004 0.000 0.933 161 K CB -0.271 32.231 32.500 0.003 0.000 0.717 161 K HN 0.415 nan 8.250 nan 0.000 0.442 162 A N 1.272 124.093 122.820 0.003 0.000 1.929 162 A HA 0.014 4.264 4.320 -0.116 0.000 0.216 162 A C 2.315 179.900 177.584 0.001 0.000 1.176 162 A CA 1.375 53.413 52.037 0.001 0.000 0.628 162 A CB -0.438 18.563 19.000 0.001 0.000 0.816 162 A HN 0.295 nan 8.150 nan 0.000 0.444 163 A N -0.387 122.434 122.820 0.002 0.000 2.019 163 A HA -0.114 4.137 4.320 -0.116 0.000 0.219 163 A C 2.174 179.758 177.584 0.001 0.000 1.164 163 A CA 1.761 53.799 52.037 0.002 0.000 0.644 163 A CB -0.548 18.455 19.000 0.005 0.000 0.805 163 A HN 0.563 nan 8.150 nan 0.000 0.449 164 M N -0.774 118.828 119.600 0.003 0.000 2.160 164 M HA 0.007 4.418 4.480 -0.116 0.000 0.264 164 M C 1.985 178.287 176.300 0.003 0.000 1.073 164 M CA 1.343 56.646 55.300 0.004 0.000 1.142 164 M CB -0.467 32.138 32.600 0.007 0.000 1.358 164 M HN 0.374 nan 8.290 nan 0.000 0.422 165 I N -0.470 120.101 120.570 0.002 0.000 2.286 165 I HA -0.218 3.882 4.170 -0.116 0.000 0.248 165 I C 2.305 178.421 176.117 -0.003 0.000 1.115 165 I CA 0.933 62.233 61.300 0.000 0.000 1.392 165 I CB -0.626 37.374 38.000 -0.001 0.000 1.065 165 I HN 0.071 nan 8.210 nan 0.000 0.418 166 V N 1.282 121.194 119.914 -0.004 0.000 2.358 166 V HA -0.259 3.792 4.120 -0.116 0.000 0.246 166 V C 2.344 178.433 176.094 -0.009 0.000 1.047 166 V CA 2.160 64.456 62.300 -0.007 0.000 1.035 166 V CB -0.891 30.928 31.823 -0.006 0.000 0.658 166 V HN 0.462 nan 8.190 nan 0.000 0.452 167 N N 0.352 119.046 118.700 -0.009 0.000 2.069 167 N HA -0.249 4.421 4.740 -0.116 0.000 0.191 167 N C 1.957 177.463 175.510 -0.005 0.000 1.031 167 N CA 2.070 55.111 53.050 -0.015 0.000 0.852 167 N CB -0.283 38.193 38.487 -0.019 0.000 1.018 167 N HN 0.579 nan 8.380 nan 0.000 0.423 168 Q N -0.419 119.382 119.800 0.002 0.000 2.170 168 Q HA -0.035 4.236 4.340 -0.116 0.000 0.203 168 Q C 2.020 178.024 176.000 0.006 0.000 0.976 168 Q CA 0.956 56.765 55.803 0.009 0.000 0.858 168 Q CB 0.012 28.757 28.738 0.011 0.000 0.907 168 Q HN 0.440 nan 8.270 nan 0.000 0.433 169 L N 0.075 121.297 121.223 -0.003 0.000 2.109 169 L HA -0.102 4.168 4.340 -0.116 0.000 0.207 169 L C 2.498 179.358 176.870 -0.017 0.000 1.086 169 L CA 1.145 55.978 54.840 -0.011 0.000 0.760 169 L CB -0.441 41.608 42.059 -0.018 0.000 0.910 169 L HN 0.284 nan 8.230 nan 0.000 0.437 170 S N -0.596 115.098 115.700 -0.011 0.000 2.507 170 S HA -0.138 4.263 4.470 -0.116 0.000 0.235 170 S C 1.544 176.148 174.600 0.006 0.000 0.988 170 S CA 0.648 58.845 58.200 -0.006 0.000 0.944 170 S CB -0.343 62.857 63.200 0.000 0.000 0.762 170 S HN 0.385 nan 8.310 nan 0.000 0.526 171 K N 0.778 121.182 120.400 0.006 0.000 2.476 171 K HA 0.247 4.497 4.320 -0.116 0.000 0.196 171 K C -0.124 176.466 176.600 -0.017 0.000 1.025 171 K CA 0.256 56.549 56.287 0.010 0.000 1.138 171 K CB 0.139 32.653 32.500 0.024 0.000 0.860 171 K HN 0.349 nan 8.250 nan 0.000 0.515 172 K N 0.144 120.527 120.400 -0.030 0.000 2.464 172 K HA 0.179 4.430 4.320 -0.116 0.000 0.253 172 K C 0.136 176.686 176.600 -0.083 0.000 0.933 172 K CA -0.452 55.798 56.287 -0.062 0.000 0.801 172 K CB 2.102 34.584 32.500 -0.031 0.000 1.271 172 K HN -0.090 nan 8.250 nan 0.000 0.430 173 E N 1.106 121.254 120.200 -0.088 0.000 2.051 173 E HA -0.215 4.066 4.350 -0.116 0.000 0.192 173 E C 1.663 178.114 176.600 -0.248 0.000 0.991 173 E CA 1.567 57.921 56.400 -0.076 0.000 0.799 173 E CB 0.002 29.752 29.700 0.083 0.000 0.748 173 E HN 0.704 nan 8.360 nan 0.000 0.449 174 A N 0.796 123.284 122.820 -0.553 0.000 2.019 174 A HA -0.147 4.103 4.320 -0.116 0.000 0.219 174 A C 2.256 179.635 177.584 -0.341 0.000 1.164 174 A CA 1.606 53.158 52.037 -0.808 0.000 0.644 174 A CB -0.144 18.235 19.000 -1.034 0.000 0.805 174 A HN 0.104 nan 8.150 nan 0.000 0.449 175 S N -1.330 114.239 115.700 -0.219 0.000 2.427 175 S HA 0.047 4.448 4.470 -0.116 0.000 0.224 175 S C 1.970 176.507 174.600 -0.106 0.000 1.047 175 S CA 0.358 58.482 58.200 -0.128 0.000 0.953 175 S CB -0.181 62.968 63.200 -0.084 0.000 0.824 175 S HN 0.585 nan 8.310 nan 0.000 0.502 176 R N 1.526 121.959 120.500 -0.112 0.000 2.094 176 R HA -0.031 4.240 4.340 -0.116 0.000 0.239 176 R C 2.501 178.714 176.300 -0.146 0.000 1.137 176 R CA 1.457 57.490 56.100 -0.112 0.000 0.943 176 R CB -0.199 30.026 30.300 -0.124 0.000 0.850 176 R HN 0.302 nan 8.270 nan 0.000 0.433 177 R N -0.329 120.063 120.500 -0.180 0.000 2.105 177 R HA -0.129 4.141 4.340 -0.116 0.000 0.239 177 R C 2.230 178.477 176.300 -0.088 0.000 1.135 177 R CA 1.398 57.406 56.100 -0.153 0.000 0.967 177 R CB -0.342 29.896 30.300 -0.104 0.000 0.861 177 R HN 0.248 nan 8.270 nan 0.000 0.442 178 A N 1.125 123.898 122.820 -0.078 0.000 1.929 178 A HA -0.054 4.197 4.320 -0.116 0.000 0.216 178 A C 2.174 179.733 177.584 -0.042 0.000 1.176 178 A CA 0.875 52.881 52.037 -0.051 0.000 0.628 178 A CB -0.283 18.686 19.000 -0.052 0.000 0.816 178 A HN 0.130 nan 8.150 nan 0.000 0.444 179 L N -0.601 120.592 121.223 -0.049 0.000 2.023 179 L HA -0.149 4.121 4.340 -0.116 0.000 0.205 179 L C 2.884 179.738 176.870 -0.027 0.000 1.073 179 L CA 1.743 56.563 54.840 -0.033 0.000 0.745 179 L CB -0.701 41.340 42.059 -0.031 0.000 0.900 179 L HN 0.662 nan 8.230 nan 0.000 0.435 180 M N -0.928 118.650 119.600 -0.038 0.000 2.539 180 M HA 0.017 4.428 4.480 -0.116 0.000 0.261 180 M C 1.717 178.008 176.300 -0.016 0.000 1.069 180 M CA 1.764 57.050 55.300 -0.023 0.000 1.081 180 M CB -0.858 31.721 32.600 -0.036 0.000 1.412 180 M HN 0.101 nan 8.290 nan 0.000 0.482 181 G N 0.238 109.024 108.800 -0.023 0.000 2.623 181 G HA2 -0.026 3.865 3.960 -0.116 0.000 0.214 181 G HA3 -0.026 3.865 3.960 -0.116 0.000 0.214 181 G C 0.514 175.410 174.900 -0.006 0.000 1.138 181 G CA 0.229 45.321 45.100 -0.013 0.000 0.794 181 G HN 0.494 nan 8.290 nan 0.000 0.535 182 S N 1.060 116.755 115.700 -0.008 0.000 2.434 182 S HA 0.460 4.860 4.470 -0.116 0.000 0.318 182 S C -1.244 173.355 174.600 -0.001 0.000 1.062 182 S CA -1.461 56.736 58.200 -0.004 0.000 1.116 182 S CB 1.533 64.729 63.200 -0.007 0.000 0.977 182 S HN -0.061 nan 8.310 nan 0.000 0.480 183 P HA -0.120 nan 4.420 nan 0.000 0.216 183 P C 1.570 178.871 177.300 0.001 0.000 1.150 183 P CA 0.845 63.948 63.100 0.004 0.000 0.837 183 P CB 0.170 31.872 31.700 0.003 0.000 0.786 184 Q N -0.939 118.861 119.800 -0.001 0.000 2.124 184 Q HA -0.138 4.133 4.340 -0.116 0.000 0.202 184 Q C 2.107 178.106 176.000 -0.001 0.000 0.977 184 Q CA 1.114 56.916 55.803 -0.001 0.000 0.850 184 Q CB -1.006 27.731 28.738 -0.002 0.000 0.901 184 Q HN 0.261 nan 8.270 nan 0.000 0.429 185 L N -0.230 120.992 121.223 -0.001 0.000 2.044 185 L HA -0.099 4.172 4.340 -0.116 0.000 0.205 185 L C 2.232 179.103 176.870 0.002 0.000 1.075 185 L CA 1.114 55.953 54.840 -0.001 0.000 0.747 185 L CB -0.517 41.540 42.059 -0.004 0.000 0.903 185 L HN -0.089 nan 8.230 nan 0.000 0.435 186 V N 0.246 120.162 119.914 0.004 0.000 2.332 186 V HA -0.323 3.727 4.120 -0.116 0.000 0.248 186 V C 2.789 178.889 176.094 0.009 0.000 1.055 186 V CA 1.726 64.031 62.300 0.009 0.000 1.038 186 V CB -1.331 30.501 31.823 0.015 0.000 0.651 186 V HN 0.608 nan 8.190 nan 0.000 0.450 187 A N -0.174 122.649 122.820 0.005 0.000 1.933 187 A HA -0.090 4.160 4.320 -0.116 0.000 0.218 187 A C 2.410 179.995 177.584 0.002 0.000 1.175 187 A CA 1.975 54.013 52.037 0.002 0.000 0.628 187 A CB -0.702 18.296 19.000 -0.003 0.000 0.814 187 A HN 0.579 nan 8.150 nan 0.000 0.444 188 A N -0.675 122.146 122.820 0.002 0.000 1.933 188 A HA 0.030 4.281 4.320 -0.116 0.000 0.218 188 A C 2.208 179.795 177.584 0.005 0.000 1.175 188 A CA 1.684 53.722 52.037 0.003 0.000 0.628 188 A CB -0.779 18.222 19.000 0.001 0.000 0.814 188 A HN 0.354 nan 8.150 nan 0.000 0.444 189 V N -0.492 119.426 119.914 0.007 0.000 2.358 189 V HA -0.201 3.849 4.120 -0.116 0.000 0.246 189 V C 2.580 178.682 176.094 0.015 0.000 1.047 189 V CA 1.915 64.221 62.300 0.010 0.000 1.035 189 V CB -0.517 31.312 31.823 0.010 0.000 0.658 189 V HN 0.380 nan 8.190 nan 0.000 0.452 190 V N -0.327 119.596 119.914 0.015 0.000 2.307 190 V HA -0.239 3.812 4.120 -0.116 0.000 0.245 190 V C 2.568 178.671 176.094 0.014 0.000 1.045 190 V CA 1.990 64.301 62.300 0.018 0.000 1.024 190 V CB -0.767 31.066 31.823 0.016 0.000 0.651 190 V HN 0.440 nan 8.190 nan 0.000 0.449 191 R N -0.265 120.240 120.500 0.008 0.000 2.096 191 R HA -0.192 4.079 4.340 -0.116 0.000 0.240 191 R C 2.445 178.750 176.300 0.010 0.000 1.139 191 R CA 2.163 58.267 56.100 0.007 0.000 0.952 191 R CB -0.811 29.490 30.300 0.003 0.000 0.854 191 R HN 0.510 nan 8.270 nan 0.000 0.436 192 T N 1.338 115.898 114.554 0.010 0.000 2.652 192 T HA -0.228 4.053 4.350 -0.116 0.000 0.267 192 T C 1.731 176.441 174.700 0.016 0.000 1.039 192 T CA 1.739 63.847 62.100 0.012 0.000 1.153 192 T CB -0.203 68.671 68.868 0.011 0.000 0.863 192 T HN 0.280 nan 8.240 nan 0.000 0.428 193 M N 1.401 121.014 119.600 0.021 0.000 2.108 193 M HA -0.227 4.184 4.480 -0.116 0.000 0.257 193 M C 2.054 178.371 176.300 0.028 0.000 1.071 193 M CA 1.852 57.169 55.300 0.028 0.000 1.093 193 M CB -0.204 32.418 32.600 0.036 0.000 1.345 193 M HN 0.347 nan 8.290 nan 0.000 0.403 194 Q N -1.863 117.951 119.800 0.023 0.000 2.220 194 Q HA 0.133 4.404 4.340 -0.116 0.000 0.205 194 Q C 0.295 176.304 176.000 0.016 0.000 0.865 194 Q CA -0.024 55.792 55.803 0.022 0.000 0.960 194 Q CB 0.197 28.948 28.738 0.021 0.000 1.097 194 Q HN 0.450 nan 8.270 nan 0.000 0.493 195 N N 0.225 118.933 118.700 0.014 0.000 2.460 195 N HA 0.018 4.689 4.740 -0.116 0.000 0.193 195 N C 0.097 175.614 175.510 0.012 0.000 1.080 195 N CA 0.465 53.522 53.050 0.011 0.000 0.869 195 N CB 0.760 39.252 38.487 0.008 0.000 1.201 195 N HN 0.182 nan 8.380 nan 0.000 0.457 196 T N -0.606 113.956 114.554 0.014 0.000 2.900 196 T HA 0.143 4.424 4.350 -0.116 0.000 0.307 196 T C 0.985 175.693 174.700 0.014 0.000 1.065 196 T CA 0.422 62.529 62.100 0.013 0.000 1.105 196 T CB 0.670 69.547 68.868 0.015 0.000 0.979 196 T HN -0.031 nan 8.240 nan 0.000 0.544 197 S N 1.260 116.967 115.700 0.012 0.000 2.733 197 S HA 0.194 4.595 4.470 -0.116 0.000 0.247 197 S C -0.162 174.444 174.600 0.010 0.000 1.043 197 S CA -0.422 57.784 58.200 0.011 0.000 1.066 197 S CB 0.104 63.309 63.200 0.008 0.000 1.045 197 S HN 0.873 nan 8.310 nan 0.000 0.586 198 D N 1.137 121.543 120.400 0.010 0.000 2.302 198 D HA 0.211 4.782 4.640 -0.116 0.000 0.248 198 D C 1.079 177.386 176.300 0.012 0.000 1.094 198 D CA -0.328 53.678 54.000 0.009 0.000 0.897 198 D CB 1.035 41.840 40.800 0.008 0.000 1.200 198 D HN 0.071 nan 8.370 nan 0.000 0.429 199 L N 3.215 124.443 121.223 0.009 0.000 2.044 199 L HA -0.027 4.244 4.340 -0.116 0.000 0.205 199 L C 1.364 178.245 176.870 0.017 0.000 1.075 199 L CA 1.710 56.556 54.840 0.010 0.000 0.747 199 L CB -0.524 41.535 42.059 0.001 0.000 0.903 199 L HN 0.466 nan 8.230 nan 0.000 0.435 200 D N -1.201 119.208 120.400 0.014 0.000 2.149 200 D HA -0.210 4.361 4.640 -0.116 0.000 0.198 200 D C 2.182 178.495 176.300 0.022 0.000 0.990 200 D CA 1.713 55.724 54.000 0.018 0.000 0.839 200 D CB -0.196 40.612 40.800 0.012 0.000 0.948 200 D HN 0.462 nan 8.370 nan 0.000 0.460 201 T N -1.007 113.559 114.554 0.019 0.000 2.942 201 T HA 0.070 4.351 4.350 -0.116 0.000 0.265 201 T C 1.873 176.589 174.700 0.026 0.000 1.062 201 T CA 1.304 63.416 62.100 0.019 0.000 1.139 201 T CB -0.087 68.789 68.868 0.015 0.000 0.883 201 T HN 0.059 nan 8.240 nan 0.000 0.468 202 A N 1.717 124.556 122.820 0.032 0.000 1.930 202 A HA 0.024 4.275 4.320 -0.116 0.000 0.217 202 A C 2.493 180.117 177.584 0.067 0.000 1.175 202 A CA 1.258 53.322 52.037 0.044 0.000 0.627 202 A CB -0.548 18.477 19.000 0.041 0.000 0.815 202 A HN 0.603 nan 8.150 nan 0.000 0.443 203 R N -0.925 119.618 120.500 0.072 0.000 2.091 203 R HA -0.154 4.116 4.340 -0.116 0.000 0.238 203 R C 2.259 178.606 176.300 0.077 0.000 1.136 203 R CA 1.608 57.779 56.100 0.120 0.000 0.959 203 R CB -0.841 29.522 30.300 0.105 0.000 0.856 203 R HN 0.590 nan 8.270 nan 0.000 0.437 204 C N 0.097 119.417 119.300 0.034 0.000 2.453 204 C HA -0.101 4.290 4.460 -0.116 0.000 0.277 204 C C 3.153 178.127 174.990 -0.027 0.000 1.262 204 C CA 1.521 60.536 59.018 -0.005 0.000 1.718 204 C CB -0.977 26.766 27.740 0.004 0.000 2.031 204 C HN 0.681 nan 8.230 nan 0.000 0.480 205 T N -2.029 112.526 114.554 0.001 0.000 2.737 205 T HA -0.211 4.069 4.350 -0.116 0.000 0.265 205 T C 1.723 176.425 174.700 0.004 0.000 1.038 205 T CA 2.360 64.462 62.100 0.005 0.000 1.144 205 T CB -1.001 67.879 68.868 0.021 0.000 0.866 205 T HN 0.465 nan 8.240 nan 0.000 0.434 206 T N 0.866 115.438 114.554 0.031 0.000 2.803 206 T HA -0.112 4.169 4.350 -0.116 0.000 0.269 206 T C 2.199 176.853 174.700 -0.076 0.000 1.052 206 T CA 1.733 63.877 62.100 0.074 0.000 1.136 206 T CB -0.862 68.122 68.868 0.193 0.000 0.864 206 T HN 0.552 nan 8.240 nan 0.000 0.467 207 S N -0.192 115.312 115.700 -0.327 0.000 2.357 207 S HA 0.005 4.406 4.470 -0.116 0.000 0.221 207 S C 1.976 176.432 174.600 -0.239 0.000 1.031 207 S CA 1.070 58.833 58.200 -0.730 0.000 0.982 207 S CB -0.419 62.400 63.200 -0.635 0.000 0.853 207 S HN 0.574 nan 8.310 nan 0.000 0.458 208 I N 1.791 122.294 120.570 -0.112 0.000 2.118 208 I HA -0.232 3.869 4.170 -0.116 0.000 0.241 208 I C 2.271 178.394 176.117 0.010 0.000 1.070 208 I CA 1.374 62.655 61.300 -0.032 0.000 1.327 208 I CB -0.409 37.581 38.000 -0.016 0.000 1.034 208 I HN 0.325 nan 8.210 nan 0.000 0.405 209 L N -0.280 120.958 121.223 0.025 0.000 2.083 209 L HA -0.267 4.003 4.340 -0.116 0.000 0.209 209 L C 2.722 179.634 176.870 0.070 0.000 1.083 209 L CA 1.708 56.580 54.840 0.053 0.000 0.752 209 L CB -1.088 41.011 42.059 0.068 0.000 0.899 209 L HN 0.421 nan 8.230 nan 0.000 0.433 210 H N 0.744 119.811 119.070 -0.006 0.000 2.353 210 H HA -0.142 4.343 4.556 -0.118 0.000 0.300 210 H C 2.049 177.417 175.328 0.068 0.000 1.090 210 H CA 1.984 58.049 56.048 0.027 0.000 1.327 210 H CB 0.102 29.913 29.762 0.081 0.000 1.383 210 H HN 0.230 nan 8.280 nan 0.000 0.508 211 N N 0.186 118.891 118.700 0.008 0.000 2.270 211 N HA -0.074 4.597 4.740 -0.116 0.000 0.181 211 N C 1.915 177.529 175.510 0.173 0.000 1.016 211 N CA 1.140 54.253 53.050 0.105 0.000 0.870 211 N CB -0.143 38.401 38.487 0.094 0.000 0.979 211 N HN 0.416 nan 8.380 nan 0.000 0.431 212 L N 0.692 121.972 121.223 0.095 0.000 2.313 212 L HA 0.016 4.287 4.340 -0.116 0.000 0.214 212 L C 1.917 178.855 176.870 0.114 0.000 1.119 212 L CA 0.696 55.613 54.840 0.129 0.000 0.809 212 L CB -0.416 41.683 42.059 0.067 0.000 0.933 212 L HN 0.171 nan 8.230 nan 0.000 0.449 213 S N -2.182 113.501 115.700 -0.028 0.000 2.607 213 S HA -0.115 4.286 4.470 -0.116 0.000 0.224 213 S C 1.297 175.789 174.600 -0.181 0.000 0.969 213 S CA 0.287 58.432 58.200 -0.092 0.000 0.927 213 S CB -0.587 62.539 63.200 -0.122 0.000 0.772 213 S HN 0.506 nan 8.310 nan 0.000 0.533 214 H N 0.278 119.304 119.070 -0.073 0.000 2.547 214 H HA 0.303 4.788 4.556 -0.118 0.000 0.266 214 H C -0.272 174.757 175.328 -0.498 0.000 0.988 214 H CA 0.429 56.321 56.048 -0.260 0.000 1.147 214 H CB 0.095 29.652 29.762 -0.342 0.000 1.365 214 H HN 0.573 nan 8.280 nan 0.000 0.589 215 H N -1.344 117.750 119.070 0.039 0.000 2.717 215 H HA 0.292 4.780 4.556 -0.113 0.000 0.366 215 H C 0.646 175.971 175.328 -0.004 0.000 1.132 215 H CA -0.944 55.109 56.048 0.009 0.000 1.180 215 H CB 1.441 31.215 29.762 0.020 0.000 1.678 215 H HN -0.116 nan 8.280 nan 0.000 0.537 216 R N 1.352 121.903 120.500 0.085 0.000 2.115 216 R HA -0.202 4.069 4.340 -0.116 0.000 0.239 216 R C 1.701 178.045 176.300 0.073 0.000 1.133 216 R CA 1.728 57.858 56.100 0.049 0.000 0.935 216 R CB -0.351 29.962 30.300 0.022 0.000 0.853 216 R HN 0.792 nan 8.270 nan 0.000 0.433 217 E N -0.157 120.092 120.200 0.081 0.000 2.209 217 E HA -0.132 4.149 4.350 -0.116 0.000 0.196 217 E C 1.905 178.545 176.600 0.068 0.000 0.993 217 E CA 1.217 57.654 56.400 0.061 0.000 0.819 217 E CB -0.169 29.553 29.700 0.037 0.000 0.745 217 E HN 0.462 nan 8.360 nan 0.000 0.477 218 G N 1.127 109.984 108.800 0.096 0.000 2.404 218 G HA2 -0.210 3.681 3.960 -0.116 0.000 0.214 218 G HA3 -0.210 3.681 3.960 -0.116 0.000 0.214 218 G C 1.560 176.512 174.900 0.087 0.000 1.189 218 G CA 0.506 45.660 45.100 0.091 0.000 0.789 218 G HN 0.183 nan 8.290 nan 0.000 0.533 219 L N -0.247 121.028 121.223 0.086 0.000 2.013 219 L HA -0.124 4.147 4.340 -0.116 0.000 0.212 219 L C 2.745 179.687 176.870 0.120 0.000 1.073 219 L CA 0.841 55.730 54.840 0.081 0.000 0.753 219 L CB -0.505 41.590 42.059 0.059 0.000 0.890 219 L HN 0.225 nan 8.230 nan 0.000 0.432 220 L N 0.054 121.346 121.223 0.115 0.000 1.994 220 L HA -0.180 4.090 4.340 -0.116 0.000 0.208 220 L C 2.677 179.645 176.870 0.165 0.000 1.071 220 L CA 2.101 57.039 54.840 0.164 0.000 0.745 220 L CB -0.783 41.345 42.059 0.115 0.000 0.892 220 L HN 0.172 nan 8.230 nan 0.000 0.431 221 A N -0.328 122.554 122.820 0.103 0.000 1.908 221 A HA -0.235 4.016 4.320 -0.116 0.000 0.218 221 A C 2.281 179.911 177.584 0.076 0.000 1.181 221 A CA 2.313 54.393 52.037 0.072 0.000 0.627 221 A CB -0.970 18.059 19.000 0.049 0.000 0.818 221 A HN 0.533 nan 8.150 nan 0.000 0.445 222 I N -2.021 118.609 120.570 0.099 0.000 2.142 222 I HA -0.242 3.859 4.170 -0.116 0.000 0.240 222 I C 2.341 178.540 176.117 0.136 0.000 1.078 222 I CA 1.714 63.075 61.300 0.102 0.000 1.343 222 I CB -0.421 37.644 38.000 0.108 0.000 1.046 222 I HN 0.424 nan 8.210 nan 0.000 0.405 223 F N 2.233 122.193 119.950 0.017 0.000 2.120 223 F HA -0.244 4.215 4.527 -0.114 0.000 0.300 223 F C 2.161 177.968 175.800 0.012 0.000 1.095 223 F CA 1.754 59.763 58.000 0.014 0.000 1.249 223 F CB -0.286 38.722 39.000 0.014 0.000 0.995 223 F HN -0.051 nan 8.300 nan 0.000 0.480 224 K N -0.888 119.457 120.400 -0.091 0.000 2.404 224 K HA 0.160 4.411 4.320 -0.116 0.000 0.194 224 K C 1.305 177.836 176.600 -0.114 0.000 1.023 224 K CA 0.549 56.717 56.287 -0.199 0.000 1.094 224 K CB 0.203 32.656 32.500 -0.079 0.000 0.841 224 K HN 0.096 nan 8.250 nan 0.000 0.523 225 S N 0.298 115.960 115.700 -0.063 0.000 2.557 225 S HA 0.134 4.535 4.470 -0.116 0.000 0.223 225 S C 0.873 175.446 174.600 -0.044 0.000 0.969 225 S CA 0.320 58.497 58.200 -0.039 0.000 0.927 225 S CB 0.814 64.010 63.200 -0.005 0.000 0.806 225 S HN 0.580 nan 8.310 nan 0.000 0.489 226 G N 1.286 110.040 108.800 -0.077 0.000 2.212 226 G HA2 -0.216 3.674 3.960 -0.116 0.000 0.255 226 G HA3 -0.216 3.674 3.960 -0.116 0.000 0.255 226 G C 0.768 175.664 174.900 -0.008 0.000 1.062 226 G CA 0.168 45.232 45.100 -0.060 0.000 0.815 226 G HN 0.582 nan 8.290 nan 0.000 0.497 227 G N -0.049 108.763 108.800 0.020 0.000 2.403 227 G HA2 0.031 3.921 3.960 -0.116 0.000 0.216 227 G HA3 0.031 3.921 3.960 -0.116 0.000 0.216 227 G C 1.812 176.753 174.900 0.069 0.000 1.154 227 G CA 1.152 46.283 45.100 0.053 0.000 0.784 227 G HN 0.615 nan 8.290 nan 0.000 0.538 228 I N 1.569 122.193 120.570 0.090 0.000 2.118 228 I HA -0.157 3.944 4.170 -0.116 0.000 0.241 228 I C -0.067 176.089 176.117 0.065 0.000 1.070 228 I CA 1.315 62.673 61.300 0.097 0.000 1.327 228 I CB -0.853 37.230 38.000 0.139 0.000 1.034 228 I HN 0.168 nan 8.210 nan 0.000 0.405 229 P HA -0.193 nan 4.420 nan 0.000 0.214 229 P C 1.535 178.858 177.300 0.038 0.000 1.163 229 P CA 2.039 65.159 63.100 0.034 0.000 0.883 229 P CB -0.077 31.633 31.700 0.017 0.000 0.788 230 A N -0.595 122.247 122.820 0.036 0.000 1.883 230 A HA -0.206 4.045 4.320 -0.116 0.000 0.217 230 A C 2.272 179.889 177.584 0.054 0.000 1.186 230 A CA 1.734 53.794 52.037 0.040 0.000 0.624 230 A CB -1.782 17.240 19.000 0.037 0.000 0.822 230 A HN 0.105 nan 8.150 nan 0.000 0.444 231 L N -0.627 120.635 121.223 0.064 0.000 2.042 231 L HA -0.185 4.086 4.340 -0.116 0.000 0.210 231 L C 2.530 179.446 176.870 0.076 0.000 1.076 231 L CA 1.229 56.117 54.840 0.080 0.000 0.749 231 L CB -0.626 41.487 42.059 0.089 0.000 0.893 231 L HN 0.255 nan 8.230 nan 0.000 0.432 232 V N -0.113 119.840 119.914 0.064 0.000 2.407 232 V HA -0.305 3.746 4.120 -0.116 0.000 0.248 232 V C 2.663 178.789 176.094 0.055 0.000 1.055 232 V CA 1.963 64.298 62.300 0.058 0.000 1.049 232 V CB -0.712 31.139 31.823 0.048 0.000 0.662 232 V HN 0.470 nan 8.190 nan 0.000 0.455 233 R N -0.264 120.265 120.500 0.049 0.000 2.127 233 R HA -0.161 4.110 4.340 -0.116 0.000 0.238 233 R C 2.042 178.371 176.300 0.049 0.000 1.134 233 R CA 1.512 57.638 56.100 0.043 0.000 0.975 233 R CB -0.133 30.188 30.300 0.036 0.000 0.865 233 R HN 0.314 nan 8.270 nan 0.000 0.447 234 M N 0.464 120.100 119.600 0.061 0.000 2.619 234 M HA -0.023 4.388 4.480 -0.116 0.000 0.251 234 M C 1.608 177.955 176.300 0.078 0.000 1.106 234 M CA 0.786 56.127 55.300 0.069 0.000 1.086 234 M CB -0.264 32.387 32.600 0.086 0.000 1.465 234 M HN 0.228 nan 8.290 nan 0.000 0.506 235 L N -0.896 120.376 121.223 0.082 0.000 2.610 235 L HA -0.047 4.224 4.340 -0.116 0.000 0.232 235 L C 1.881 178.798 176.870 0.077 0.000 1.149 235 L CA 0.288 55.187 54.840 0.097 0.000 0.872 235 L CB -0.382 41.734 42.059 0.095 0.000 0.992 235 L HN 0.208 nan 8.230 nan 0.000 0.447 236 S N -1.232 114.502 115.700 0.055 0.000 2.501 236 S HA -0.007 4.394 4.470 -0.116 0.000 0.220 236 S C 1.065 175.682 174.600 0.028 0.000 0.997 236 S CA 0.019 58.243 58.200 0.040 0.000 0.919 236 S CB 0.148 63.367 63.200 0.032 0.000 0.778 236 S HN 0.341 nan 8.310 nan 0.000 0.523 237 S N 2.129 117.846 115.700 0.028 0.000 2.562 237 S HA 0.156 4.557 4.470 -0.116 0.000 0.281 237 S C -1.913 172.679 174.600 -0.013 0.000 1.333 237 S CA -1.207 56.997 58.200 0.007 0.000 1.052 237 S CB 0.823 64.028 63.200 0.008 0.000 0.884 237 S HN 0.068 nan 8.310 nan 0.000 0.506 238 P HA 0.127 nan 4.420 nan 0.000 0.240 238 P C -0.402 176.836 177.300 -0.102 0.000 1.190 238 P CA 0.050 63.116 63.100 -0.057 0.000 0.781 238 P CB 0.006 31.678 31.700 -0.046 0.000 0.931 239 V N 1.482 121.338 119.914 -0.098 0.000 2.572 239 V HA -0.006 4.045 4.120 -0.116 0.000 0.291 239 V C 1.966 177.915 176.094 -0.241 0.000 1.039 239 V CA 0.235 62.449 62.300 -0.144 0.000 1.055 239 V CB 0.632 32.396 31.823 -0.099 0.000 0.969 239 V HN 0.107 nan 8.190 nan 0.000 0.482 240 E N 3.381 123.354 120.200 -0.378 0.000 2.012 240 E HA -0.219 4.062 4.350 -0.116 0.000 0.197 240 E C 2.221 178.338 176.600 -0.805 0.000 1.007 240 E CA 1.893 57.849 56.400 -0.740 0.000 0.816 240 E CB -0.029 29.177 29.700 -0.824 0.000 0.762 240 E HN 0.949 nan 8.360 nan 0.000 0.451 241 S N 0.229 115.589 115.700 -0.567 0.000 2.369 241 S HA -0.221 4.180 4.470 -0.116 0.000 0.225 241 S C 2.172 176.585 174.600 -0.311 0.000 1.043 241 S CA 1.823 59.730 58.200 -0.489 0.000 1.074 241 S CB -1.126 61.930 63.200 -0.240 0.000 0.962 241 S HN 0.192 nan 8.310 nan 0.000 0.433 242 V N 1.908 121.766 119.914 -0.095 0.000 2.252 242 V HA -0.171 3.879 4.120 -0.116 0.000 0.249 242 V C 2.663 178.807 176.094 0.083 0.000 1.056 242 V CA 2.124 64.459 62.300 0.059 0.000 1.022 242 V CB -0.960 30.886 31.823 0.038 0.000 0.641 242 V HN 0.405 nan 8.190 nan 0.000 0.445 243 L N -1.131 120.109 121.223 0.029 0.000 2.042 243 L HA -0.148 4.123 4.340 -0.116 0.000 0.210 243 L C 2.184 179.287 176.870 0.389 0.000 1.076 243 L CA 1.986 56.925 54.840 0.166 0.000 0.749 243 L CB -0.968 41.117 42.059 0.044 0.000 0.893 243 L HN 0.223 nan 8.230 nan 0.000 0.432 244 F N -1.196 118.721 119.950 -0.055 0.000 2.051 244 F HA -0.224 4.237 4.527 -0.110 0.000 0.296 244 F C 2.521 178.291 175.800 -0.049 0.000 1.122 244 F CA 1.056 59.027 58.000 -0.048 0.000 1.201 244 F CB -1.523 37.318 39.000 -0.265 0.000 0.978 244 F HN 0.098 nan 8.300 nan 0.000 0.472 245 Y N -0.019 120.375 120.300 0.157 0.000 2.053 245 Y HA -0.270 4.210 4.550 -0.116 0.000 0.277 245 Y C 2.648 178.619 175.900 0.118 0.000 1.159 245 Y CA 1.068 59.178 58.100 0.016 0.000 1.125 245 Y CB -0.929 37.541 38.460 0.017 0.000 0.969 245 Y HN 0.038 nan 8.280 nan 0.000 0.492 246 A N -0.190 122.809 122.820 0.297 0.000 1.978 246 A HA -0.229 4.021 4.320 -0.116 0.000 0.220 246 A C 2.115 179.806 177.584 0.179 0.000 1.170 246 A CA 1.909 54.075 52.037 0.214 0.000 0.636 246 A CB -0.883 18.223 19.000 0.177 0.000 0.810 246 A HN 0.497 nan 8.150 nan 0.000 0.448 247 I N -0.184 120.499 120.570 0.187 0.000 2.406 247 I HA -0.122 3.979 4.170 -0.116 0.000 0.249 247 I C 2.633 178.791 176.117 0.068 0.000 1.122 247 I CA 2.256 63.616 61.300 0.101 0.000 1.431 247 I CB -0.426 37.613 38.000 0.065 0.000 1.087 247 I HN 0.455 nan 8.210 nan 0.000 0.424 248 T N -2.724 111.903 114.554 0.121 0.000 2.942 248 T HA -0.099 4.182 4.350 -0.116 0.000 0.265 248 T C 1.835 176.648 174.700 0.189 0.000 1.062 248 T CA 1.703 63.901 62.100 0.162 0.000 1.139 248 T CB -0.756 68.246 68.868 0.223 0.000 0.883 248 T HN 0.307 nan 8.240 nan 0.000 0.468 249 T N 2.711 117.386 114.554 0.200 0.000 2.684 249 T HA 0.051 4.331 4.350 -0.116 0.000 0.267 249 T C 1.866 176.613 174.700 0.078 0.000 1.036 249 T CA 1.589 63.766 62.100 0.128 0.000 1.148 249 T CB -0.557 68.402 68.868 0.151 0.000 0.863 249 T HN 0.318 nan 8.240 nan 0.000 0.436 250 L N 0.108 121.384 121.223 0.088 0.000 2.079 250 L HA -0.155 4.116 4.340 -0.116 0.000 0.210 250 L C 2.635 179.524 176.870 0.032 0.000 1.081 250 L CA 1.450 56.322 54.840 0.055 0.000 0.752 250 L CB -0.712 41.380 42.059 0.056 0.000 0.896 250 L HN 0.473 nan 8.230 nan 0.000 0.433 251 H N 0.527 119.559 119.070 -0.063 0.000 2.321 251 H HA -0.159 4.326 4.556 -0.119 0.000 0.300 251 H C 1.946 177.172 175.328 -0.170 0.000 1.087 251 H CA 1.740 57.718 56.048 -0.117 0.000 1.319 251 H CB 0.315 30.015 29.762 -0.102 0.000 1.379 251 H HN 0.364 nan 8.280 nan 0.000 0.501 252 N N 0.824 119.434 118.700 -0.150 0.000 2.166 252 N HA -0.125 4.546 4.740 -0.116 0.000 0.186 252 N C 2.315 177.702 175.510 -0.206 0.000 1.019 252 N CA 0.763 53.691 53.050 -0.204 0.000 0.856 252 N CB -0.415 38.055 38.487 -0.028 0.000 0.993 252 N HN 0.378 nan 8.380 nan 0.000 0.426 253 L N 0.489 121.637 121.223 -0.126 0.000 2.046 253 L HA -0.080 4.191 4.340 -0.116 0.000 0.208 253 L C 2.151 178.895 176.870 -0.209 0.000 1.077 253 L CA 0.805 55.569 54.840 -0.127 0.000 0.747 253 L CB -0.385 41.642 42.059 -0.053 0.000 0.896 253 L HN 0.107 nan 8.230 nan 0.000 0.432 254 L N -0.889 120.200 121.223 -0.222 0.000 2.217 254 L HA -0.173 4.098 4.340 -0.116 0.000 0.211 254 L C 2.367 179.032 176.870 -0.342 0.000 1.107 254 L CA 0.850 55.551 54.840 -0.232 0.000 0.783 254 L CB -0.275 41.682 42.059 -0.170 0.000 0.919 254 L HN 0.286 nan 8.230 nan 0.000 0.442 255 L N -1.849 119.036 121.223 -0.564 0.000 2.127 255 L HA -0.133 4.138 4.340 -0.116 0.000 0.203 255 L C 1.778 178.240 176.870 -0.680 0.000 1.080 255 L CA 1.434 55.773 54.840 -0.836 0.000 0.768 255 L CB -0.114 41.027 42.059 -1.530 0.000 0.924 255 L HN 0.261 nan 8.230 nan 0.000 0.444 256 Y N -2.888 117.312 120.300 -0.167 0.000 2.452 256 Y HA 0.166 4.644 4.550 -0.120 0.000 0.262 256 Y C 0.986 176.800 175.900 -0.145 0.000 1.089 256 Y CA -0.643 57.377 58.100 -0.134 0.000 1.262 256 Y CB 0.562 38.954 38.460 -0.113 0.000 1.236 256 Y HN -0.027 nan 8.280 nan 0.000 0.512 257 Q N 2.577 122.325 119.800 -0.088 0.000 2.571 257 Q HA 0.146 4.417 4.340 -0.116 0.000 0.222 257 Q C -0.809 174.991 176.000 -0.334 0.000 1.167 257 Q CA -0.235 55.443 55.803 -0.207 0.000 0.966 257 Q CB 0.072 28.650 28.738 -0.268 0.000 1.274 257 Q HN 0.075 nan 8.270 nan 0.000 0.552 258 E N 1.763 121.824 120.200 -0.232 0.000 2.465 258 E HA 0.244 4.524 4.350 -0.116 0.000 0.260 258 E C 0.845 177.251 176.600 -0.323 0.000 0.980 258 E CA 1.136 57.412 56.400 -0.206 0.000 0.927 258 E CB 0.575 30.214 29.700 -0.101 0.000 0.934 258 E HN 0.844 nan 8.360 nan 0.000 0.459 259 G N 2.167 110.820 108.800 -0.244 0.000 2.238 259 G HA2 -0.324 3.567 3.960 -0.116 0.000 0.217 259 G HA3 -0.324 3.567 3.960 -0.116 0.000 0.217 259 G C 1.082 175.866 174.900 -0.194 0.000 0.996 259 G CA 0.646 45.647 45.100 -0.165 0.000 0.632 259 G HN 0.632 nan 8.290 nan 0.000 0.503 260 A N 0.589 123.165 122.820 -0.405 0.000 1.898 260 A HA 0.176 4.427 4.320 -0.116 0.000 0.216 260 A C 2.127 179.687 177.584 -0.039 0.000 1.181 260 A CA 2.281 54.197 52.037 -0.202 0.000 0.620 260 A CB -0.447 18.404 19.000 -0.249 0.000 0.819 260 A HN 0.465 nan 8.150 nan 0.000 0.442 261 K N -1.169 119.191 120.400 -0.067 0.000 2.044 261 K HA -0.178 4.072 4.320 -0.116 0.000 0.210 261 K C 2.141 178.747 176.600 0.009 0.000 1.049 261 K CA 1.912 58.182 56.287 -0.029 0.000 0.927 261 K CB -0.279 32.199 32.500 -0.036 0.000 0.713 261 K HN 0.560 nan 8.250 nan 0.000 0.443 262 M N 0.027 119.642 119.600 0.025 0.000 2.229 262 M HA -0.124 4.287 4.480 -0.116 0.000 0.264 262 M C 1.957 178.299 176.300 0.070 0.000 1.063 262 M CA 1.380 56.707 55.300 0.045 0.000 1.114 262 M CB 0.054 32.686 32.600 0.053 0.000 1.387 262 M HN 0.192 nan 8.290 nan 0.000 0.420 263 A N -1.046 121.844 122.820 0.117 0.000 2.016 263 A HA -0.014 4.236 4.320 -0.116 0.000 0.217 263 A C 1.925 179.571 177.584 0.103 0.000 1.162 263 A CA 0.941 53.071 52.037 0.154 0.000 0.662 263 A CB -0.562 18.647 19.000 0.348 0.000 0.812 263 A HN 0.358 nan 8.150 nan 0.000 0.450 264 V N 0.121 120.083 119.914 0.079 0.000 2.488 264 V HA -0.184 3.867 4.120 -0.116 0.000 0.246 264 V C 2.552 178.668 176.094 0.036 0.000 1.046 264 V CA 1.785 64.117 62.300 0.053 0.000 1.053 264 V CB -0.733 31.111 31.823 0.034 0.000 0.679 264 V HN 0.514 nan 8.190 nan 0.000 0.458 265 R N -0.063 120.455 120.500 0.031 0.000 2.081 265 R HA -0.086 4.185 4.340 -0.116 0.000 0.235 265 R C 2.249 178.562 176.300 0.023 0.000 1.131 265 R CA 1.353 57.466 56.100 0.021 0.000 0.960 265 R CB -0.444 29.866 30.300 0.016 0.000 0.856 265 R HN 0.404 nan 8.270 nan 0.000 0.436 266 L N 0.189 121.430 121.223 0.029 0.000 2.141 266 L HA -0.058 4.213 4.340 -0.116 0.000 0.209 266 L C 2.332 179.216 176.870 0.023 0.000 1.094 266 L CA 0.816 55.671 54.840 0.024 0.000 0.763 266 L CB -0.397 41.678 42.059 0.027 0.000 0.908 266 L HN 0.214 nan 8.230 nan 0.000 0.437 267 A N -1.398 121.440 122.820 0.030 0.000 2.235 267 A HA -0.093 4.157 4.320 -0.116 0.000 0.208 267 A C 0.603 178.202 177.584 0.025 0.000 1.172 267 A CA 0.373 52.427 52.037 0.029 0.000 0.786 267 A CB -0.246 18.776 19.000 0.038 0.000 0.804 267 A HN 0.494 nan 8.150 nan 0.000 0.479 268 D N -1.972 118.441 120.400 0.022 0.000 2.882 268 D HA -0.199 4.371 4.640 -0.116 0.000 0.229 268 D C 1.128 177.441 176.300 0.022 0.000 1.167 268 D CA 1.123 55.134 54.000 0.019 0.000 0.759 268 D CB -1.550 39.260 40.800 0.017 0.000 1.088 268 D HN 0.550 nan 8.370 nan 0.000 0.425 269 G N 0.123 108.938 108.800 0.025 0.000 2.448 269 G HA2 -0.179 3.712 3.960 -0.116 0.000 0.219 269 G HA3 -0.179 3.712 3.960 -0.116 0.000 0.219 269 G C 1.694 176.606 174.900 0.021 0.000 1.127 269 G CA 0.644 45.761 45.100 0.028 0.000 0.766 269 G HN 0.445 nan 8.290 nan 0.000 0.552 270 L N -0.362 120.870 121.223 0.014 0.000 2.046 270 L HA -0.130 4.140 4.340 -0.116 0.000 0.208 270 L C 3.044 179.920 176.870 0.010 0.000 1.077 270 L CA 1.316 56.160 54.840 0.007 0.000 0.747 270 L CB -0.086 41.975 42.059 0.003 0.000 0.896 270 L HN 0.214 nan 8.230 nan 0.000 0.432 271 Q N -0.400 119.409 119.800 0.014 0.000 2.364 271 Q HA -0.172 4.098 4.340 -0.116 0.000 0.207 271 Q C 1.470 177.484 176.000 0.022 0.000 0.970 271 Q CA 1.160 56.972 55.803 0.016 0.000 0.888 271 Q CB 0.056 28.803 28.738 0.015 0.000 0.951 271 Q HN 0.356 nan 8.270 nan 0.000 0.469 272 K N -1.016 119.400 120.400 0.027 0.000 2.373 272 K HA 0.259 4.509 4.320 -0.116 0.000 0.202 272 K C 1.067 177.695 176.600 0.046 0.000 1.025 272 K CA -0.005 56.305 56.287 0.038 0.000 1.115 272 K CB 0.499 33.023 32.500 0.041 0.000 0.858 272 K HN 0.210 nan 8.250 nan 0.000 0.525 273 M N -0.466 119.153 119.600 0.030 0.000 2.552 273 M HA -0.023 4.387 4.480 -0.116 0.000 0.264 273 M C 1.857 178.169 176.300 0.019 0.000 1.159 273 M CA 0.719 56.031 55.300 0.020 0.000 1.176 273 M CB 0.153 32.746 32.600 -0.012 0.000 1.327 273 M HN -0.128 nan 8.290 nan 0.000 0.481 274 V N 1.316 121.240 119.914 0.016 0.000 2.343 274 V HA -0.141 3.910 4.120 -0.116 0.000 0.247 274 V C -0.691 175.426 176.094 0.039 0.000 1.051 274 V CA 1.830 64.140 62.300 0.017 0.000 1.036 274 V CB -2.074 29.757 31.823 0.013 0.000 0.654 274 V HN 0.255 nan 8.190 nan 0.000 0.451 275 P HA -0.097 nan 4.420 nan 0.000 0.222 275 P C 1.696 179.048 177.300 0.087 0.000 1.147 275 P CA 1.182 64.317 63.100 0.057 0.000 0.790 275 P CB -0.078 31.652 31.700 0.050 0.000 0.780 276 L N -1.577 119.717 121.223 0.118 0.000 2.395 276 L HA -0.037 4.234 4.340 -0.116 0.000 0.218 276 L C 2.051 179.066 176.870 0.241 0.000 1.130 276 L CA 0.535 55.508 54.840 0.222 0.000 0.826 276 L CB -0.658 41.590 42.059 0.316 0.000 0.941 276 L HN -0.011 nan 8.230 nan 0.000 0.451 277 L N 0.752 122.050 121.223 0.125 0.000 2.450 277 L HA -0.169 4.102 4.340 -0.116 0.000 0.224 277 L C 1.775 178.718 176.870 0.121 0.000 1.149 277 L CA 0.854 55.750 54.840 0.093 0.000 0.816 277 L CB -0.575 41.509 42.059 0.041 0.000 0.932 277 L HN 0.534 nan 8.230 nan 0.000 0.449 278 N N -1.044 117.729 118.700 0.122 0.000 2.398 278 N HA -0.045 4.626 4.740 -0.116 0.000 0.188 278 N C 0.314 175.895 175.510 0.118 0.000 1.122 278 N CA 0.149 53.266 53.050 0.112 0.000 0.866 278 N CB 0.078 38.612 38.487 0.079 0.000 0.970 278 N HN -0.014 nan 8.380 nan 0.000 0.462 279 K N 0.442 120.930 120.400 0.146 0.000 2.154 279 K HA 0.091 4.341 4.320 -0.116 0.000 0.264 279 K C 0.442 177.131 176.600 0.148 0.000 1.008 279 K CA -0.381 55.963 56.287 0.095 0.000 0.937 279 K CB 0.825 33.313 32.500 -0.019 0.000 1.002 279 K HN 0.007 nan 8.250 nan 0.000 0.469 280 N N 1.198 119.962 118.700 0.106 0.000 2.300 280 N HA -0.123 4.548 4.740 -0.116 0.000 0.179 280 N C 0.013 175.637 175.510 0.190 0.000 1.016 280 N CA 0.542 53.688 53.050 0.159 0.000 0.876 280 N CB 0.049 38.590 38.487 0.091 0.000 0.979 280 N HN 0.465 nan 8.380 nan 0.000 0.432 281 N N 1.323 120.111 118.700 0.146 0.000 2.427 281 N HA 0.021 4.692 4.740 -0.116 0.000 0.269 281 N C -1.908 173.643 175.510 0.068 0.000 1.235 281 N CA -1.176 51.949 53.050 0.126 0.000 0.934 281 N CB 1.305 39.900 38.487 0.179 0.000 1.121 281 N HN 0.100 nan 8.380 nan 0.000 0.480 282 P HA -0.103 nan 4.420 nan 0.000 0.217 282 P C 0.923 178.128 177.300 -0.159 0.000 1.150 282 P CA 1.384 64.390 63.100 -0.158 0.000 0.832 282 P CB 0.404 31.985 31.700 -0.199 0.000 0.787 283 K N -1.461 118.813 120.400 -0.209 0.000 2.057 283 K HA -0.128 4.123 4.320 -0.116 0.000 0.206 283 K C 2.026 178.534 176.600 -0.154 0.000 1.050 283 K CA 1.197 57.401 56.287 -0.137 0.000 0.935 283 K CB -0.740 31.664 32.500 -0.160 0.000 0.715 283 K HN 0.103 nan 8.250 nan 0.000 0.439 284 F N 2.001 121.739 119.950 -0.353 0.000 2.126 284 F HA -0.182 4.276 4.527 -0.116 0.000 0.299 284 F C 1.706 177.351 175.800 -0.257 0.000 1.096 284 F CA 1.303 59.048 58.000 -0.427 0.000 1.255 284 F CB -0.145 38.569 39.000 -0.477 0.000 0.997 284 F HN -0.100 nan 8.300 nan 0.000 0.479 285 L N -0.114 120.983 121.223 -0.210 0.000 2.093 285 L HA -0.151 4.119 4.340 -0.116 0.000 0.208 285 L C 2.840 179.522 176.870 -0.313 0.000 1.085 285 L CA 0.952 55.618 54.840 -0.291 0.000 0.755 285 L CB -1.227 40.695 42.059 -0.228 0.000 0.904 285 L HN 0.267 nan 8.230 nan 0.000 0.435 286 A N 0.509 123.197 122.820 -0.219 0.000 1.883 286 A HA -0.219 4.031 4.320 -0.116 0.000 0.217 286 A C 2.087 179.484 177.584 -0.310 0.000 1.186 286 A CA 1.853 53.784 52.037 -0.177 0.000 0.624 286 A CB -0.588 18.405 19.000 -0.012 0.000 0.822 286 A HN 0.270 nan 8.150 nan 0.000 0.444 287 I N -0.054 120.265 120.570 -0.418 0.000 2.315 287 I HA -0.151 3.949 4.170 -0.116 0.000 0.248 287 I C 2.499 178.289 176.117 -0.545 0.000 1.117 287 I CA 1.883 62.816 61.300 -0.611 0.000 1.404 287 I CB -0.788 36.863 38.000 -0.583 0.000 1.071 287 I HN 0.241 nan 8.210 nan 0.000 0.419 288 T N -0.336 113.876 114.554 -0.569 0.000 2.812 288 T HA -0.143 4.137 4.350 -0.116 0.000 0.264 288 T C 1.978 176.501 174.700 -0.294 0.000 1.042 288 T CA 1.969 63.782 62.100 -0.479 0.000 1.140 288 T CB -0.562 67.921 68.868 -0.642 0.000 0.870 288 T HN 0.550 nan 8.240 nan 0.000 0.445 289 T N 0.400 114.790 114.554 -0.273 0.000 2.821 289 T HA -0.127 4.154 4.350 -0.116 0.000 0.267 289 T C 1.730 176.314 174.700 -0.194 0.000 1.046 289 T CA 1.469 63.448 62.100 -0.201 0.000 1.139 289 T CB -0.486 68.268 68.868 -0.189 0.000 0.871 289 T HN 0.209 nan 8.240 nan 0.000 0.454 290 D N 0.590 120.853 120.400 -0.228 0.000 2.117 290 D HA -0.064 4.507 4.640 -0.116 0.000 0.197 290 D C 2.168 178.408 176.300 -0.101 0.000 0.987 290 D CA 0.837 54.726 54.000 -0.184 0.000 0.829 290 D CB -0.746 39.956 40.800 -0.164 0.000 0.961 290 D HN 0.479 nan 8.370 nan 0.000 0.460 291 C N 0.005 119.253 119.300 -0.086 0.000 2.401 291 C HA -0.107 4.284 4.460 -0.116 0.000 0.276 291 C C 2.865 177.820 174.990 -0.058 0.000 1.233 291 C CA 0.334 59.329 59.018 -0.037 0.000 1.753 291 C CB -1.179 26.529 27.740 -0.053 0.000 2.029 291 C HN 0.427 nan 8.230 nan 0.000 0.478 292 L N 0.219 121.393 121.223 -0.082 0.000 2.017 292 L HA -0.212 4.059 4.340 -0.116 0.000 0.208 292 L C 2.939 179.777 176.870 -0.054 0.000 1.073 292 L CA 1.606 56.408 54.840 -0.064 0.000 0.745 292 L CB -0.910 41.106 42.059 -0.071 0.000 0.894 292 L HN 0.408 nan 8.230 nan 0.000 0.432 293 Q N 0.690 120.442 119.800 -0.080 0.000 2.061 293 Q HA -0.228 4.042 4.340 -0.116 0.000 0.204 293 Q C 2.282 178.262 176.000 -0.035 0.000 0.984 293 Q CA 1.871 57.631 55.803 -0.071 0.000 0.846 293 Q CB -0.264 28.387 28.738 -0.145 0.000 0.902 293 Q HN 0.537 nan 8.270 nan 0.000 0.421 294 L N 0.176 121.363 121.223 -0.059 0.000 2.017 294 L HA -0.222 4.049 4.340 -0.116 0.000 0.208 294 L C 2.635 179.500 176.870 -0.008 0.000 1.073 294 L CA 1.014 55.822 54.840 -0.053 0.000 0.745 294 L CB -0.477 41.533 42.059 -0.082 0.000 0.894 294 L HN 0.209 nan 8.230 nan 0.000 0.432 295 L N -0.676 120.539 121.223 -0.013 0.000 2.072 295 L HA -0.124 4.147 4.340 -0.116 0.000 0.205 295 L C 2.796 179.673 176.870 0.011 0.000 1.079 295 L CA 1.048 55.886 54.840 -0.003 0.000 0.752 295 L CB -0.649 41.403 42.059 -0.011 0.000 0.906 295 L HN 0.213 nan 8.230 nan 0.000 0.436 296 A N -0.926 121.902 122.820 0.013 0.000 1.968 296 A HA -0.185 4.066 4.320 -0.116 0.000 0.217 296 A C 1.006 178.601 177.584 0.018 0.000 1.169 296 A CA 0.152 52.193 52.037 0.006 0.000 0.638 296 A CB -0.625 18.373 19.000 -0.003 0.000 0.812 296 A HN 0.339 nan 8.150 nan 0.000 0.446 297 Y N 1.104 121.367 120.300 -0.062 0.000 2.802 297 Y HA 0.261 4.744 4.550 -0.112 0.000 0.333 297 Y C 1.476 177.344 175.900 -0.052 0.000 1.244 297 Y CA 0.760 58.822 58.100 -0.063 0.000 1.558 297 Y CB -0.077 38.339 38.460 -0.074 0.000 1.233 297 Y HN 0.568 nan 8.280 nan 0.000 0.547 298 G N 4.119 112.525 108.800 -0.657 0.000 2.284 298 G HA2 -0.372 3.519 3.960 -0.116 0.000 0.261 298 G HA3 -0.372 3.519 3.960 -0.116 0.000 0.261 298 G C 0.378 175.146 174.900 -0.220 0.000 0.997 298 G CA 0.316 45.114 45.100 -0.504 0.000 0.621 298 G HN 0.761 nan 8.290 nan 0.000 0.534 299 N N 0.884 119.500 118.700 -0.139 0.000 2.645 299 N HA 0.316 4.987 4.740 -0.116 0.000 0.233 299 N C 1.369 176.840 175.510 -0.066 0.000 1.058 299 N CA 0.031 53.035 53.050 -0.076 0.000 0.942 299 N CB 1.071 39.534 38.487 -0.039 0.000 1.210 299 N HN 0.283 nan 8.380 nan 0.000 0.512 300 Q N 2.533 122.293 119.800 -0.067 0.000 2.152 300 Q HA -0.209 4.062 4.340 -0.116 0.000 0.206 300 Q C 0.767 176.747 176.000 -0.035 0.000 0.985 300 Q CA 1.982 57.754 55.803 -0.052 0.000 0.863 300 Q CB 0.237 28.946 28.738 -0.047 0.000 0.904 300 Q HN 0.556 nan 8.270 nan 0.000 0.422 301 E N -0.727 119.455 120.200 -0.029 0.000 2.031 301 E HA -0.120 4.160 4.350 -0.116 0.000 0.193 301 E C 2.119 178.709 176.600 -0.016 0.000 0.994 301 E CA 1.599 57.988 56.400 -0.019 0.000 0.800 301 E CB -0.492 29.199 29.700 -0.014 0.000 0.752 301 E HN 0.246 nan 8.360 nan 0.000 0.447 302 S N 0.573 116.263 115.700 -0.018 0.000 2.383 302 S HA -0.173 4.227 4.470 -0.116 0.000 0.229 302 S C 1.685 176.276 174.600 -0.015 0.000 1.030 302 S CA 1.244 59.436 58.200 -0.014 0.000 1.002 302 S CB -0.194 62.998 63.200 -0.013 0.000 0.829 302 S HN 0.214 nan 8.310 nan 0.000 0.467 303 K N 0.979 121.366 120.400 -0.021 0.000 2.063 303 K HA -0.044 4.206 4.320 -0.116 0.000 0.208 303 K C 1.989 178.581 176.600 -0.013 0.000 1.048 303 K CA 1.080 57.355 56.287 -0.019 0.000 0.928 303 K CB -0.434 32.050 32.500 -0.027 0.000 0.713 303 K HN 0.345 nan 8.250 nan 0.000 0.442 304 L N 0.779 121.994 121.223 -0.013 0.000 2.109 304 L HA -0.122 4.148 4.340 -0.116 0.000 0.207 304 L C 2.413 179.280 176.870 -0.005 0.000 1.086 304 L CA 0.835 55.670 54.840 -0.009 0.000 0.760 304 L CB -0.428 41.625 42.059 -0.009 0.000 0.910 304 L HN 0.168 nan 8.230 nan 0.000 0.437 305 I N 0.212 120.779 120.570 -0.005 0.000 2.179 305 I HA -0.320 3.781 4.170 -0.116 0.000 0.242 305 I C 2.504 178.620 176.117 -0.000 0.000 1.088 305 I CA 1.636 62.935 61.300 -0.001 0.000 1.357 305 I CB -0.221 37.778 38.000 -0.001 0.000 1.051 305 I HN 0.190 nan 8.210 nan 0.000 0.409 306 I N 0.359 120.927 120.570 -0.003 0.000 2.194 306 I HA -0.325 3.776 4.170 -0.116 0.000 0.246 306 I C 2.558 178.676 176.117 0.001 0.000 1.093 306 I CA 1.286 62.584 61.300 -0.003 0.000 1.355 306 I CB -0.336 37.659 38.000 -0.008 0.000 1.046 306 I HN 0.272 nan 8.210 nan 0.000 0.413 307 L N 1.226 122.448 121.223 -0.000 0.000 2.056 307 L HA -0.082 4.189 4.340 -0.116 0.000 0.207 307 L C 2.431 179.304 176.870 0.005 0.000 1.078 307 L CA 2.077 56.919 54.840 0.002 0.000 0.749 307 L CB -0.736 41.323 42.059 0.001 0.000 0.901 307 L HN 0.155 nan 8.230 nan 0.000 0.433 308 A N -0.939 121.883 122.820 0.004 0.000 2.119 308 A HA -0.055 4.196 4.320 -0.116 0.000 0.217 308 A C 1.550 179.138 177.584 0.008 0.000 1.153 308 A CA 1.125 53.165 52.037 0.005 0.000 0.692 308 A CB -0.558 18.444 19.000 0.004 0.000 0.799 308 A HN 0.602 nan 8.150 nan 0.000 0.458 309 N N -0.410 118.295 118.700 0.008 0.000 2.273 309 N HA 0.216 4.887 4.740 -0.116 0.000 0.231 309 N C 0.802 176.321 175.510 0.014 0.000 1.134 309 N CA 0.764 53.821 53.050 0.012 0.000 0.856 309 N CB 0.563 39.057 38.487 0.012 0.000 1.068 309 N HN 0.519 nan 8.380 nan 0.000 0.510 310 G N 0.374 109.182 108.800 0.013 0.000 2.176 310 G HA2 -0.292 3.598 3.960 -0.116 0.000 0.252 310 G HA3 -0.292 3.598 3.960 -0.116 0.000 0.252 310 G C 1.167 176.077 174.900 0.017 0.000 1.024 310 G CA 0.374 45.484 45.100 0.016 0.000 0.755 310 G HN 0.452 nan 8.290 nan 0.000 0.507 311 G N 0.898 109.705 108.800 0.012 0.000 2.545 311 G HA2 -0.055 3.836 3.960 -0.116 0.000 0.217 311 G HA3 -0.055 3.836 3.960 -0.116 0.000 0.217 311 G C 0.186 175.093 174.900 0.012 0.000 1.218 311 G CA 1.815 46.920 45.100 0.008 0.000 0.787 311 G HN 0.529 nan 8.290 nan 0.000 0.571 312 P HA -0.166 nan 4.420 nan 0.000 0.214 312 P C 1.826 179.141 177.300 0.025 0.000 1.163 312 P CA 1.877 64.987 63.100 0.018 0.000 0.889 312 P CB -0.118 31.591 31.700 0.016 0.000 0.790 313 Q N 0.170 119.984 119.800 0.025 0.000 2.082 313 Q HA -0.241 4.029 4.340 -0.116 0.000 0.211 313 Q C 2.008 178.031 176.000 0.039 0.000 1.002 313 Q CA 2.827 58.648 55.803 0.030 0.000 0.868 313 Q CB -1.394 27.360 28.738 0.026 0.000 0.931 313 Q HN 0.171 nan 8.270 nan 0.000 0.414 314 A N -0.482 122.360 122.820 0.038 0.000 1.930 314 A HA 0.010 4.260 4.320 -0.116 0.000 0.215 314 A C 2.141 179.757 177.584 0.053 0.000 1.176 314 A CA 1.069 53.136 52.037 0.049 0.000 0.632 314 A CB -0.506 18.520 19.000 0.043 0.000 0.819 314 A HN 0.440 nan 8.150 nan 0.000 0.445 315 L N -0.562 120.683 121.223 0.036 0.000 2.027 315 L HA -0.128 4.143 4.340 -0.116 0.000 0.206 315 L C 2.457 179.361 176.870 0.057 0.000 1.074 315 L CA 0.974 55.832 54.840 0.031 0.000 0.745 315 L CB -0.562 41.504 42.059 0.011 0.000 0.898 315 L HN 0.216 nan 8.230 nan 0.000 0.433 316 V N -0.119 119.829 119.914 0.057 0.000 2.490 316 V HA -0.325 3.726 4.120 -0.116 0.000 0.250 316 V C 2.471 178.619 176.094 0.090 0.000 1.061 316 V CA 1.883 64.225 62.300 0.071 0.000 1.064 316 V CB -0.529 31.327 31.823 0.054 0.000 0.670 316 V HN 0.542 nan 8.190 nan 0.000 0.461 317 Q N 0.071 119.925 119.800 0.090 0.000 2.050 317 Q HA -0.207 4.064 4.340 -0.116 0.000 0.202 317 Q C 2.214 178.319 176.000 0.174 0.000 0.980 317 Q CA 2.167 58.035 55.803 0.109 0.000 0.840 317 Q CB -0.228 28.571 28.738 0.101 0.000 0.898 317 Q HN 0.623 nan 8.270 nan 0.000 0.424 318 I N 0.426 121.120 120.570 0.207 0.000 2.163 318 I HA -0.292 3.809 4.170 -0.116 0.000 0.243 318 I C 1.992 178.294 176.117 0.308 0.000 1.085 318 I CA 0.955 62.451 61.300 0.327 0.000 1.347 318 I CB -0.257 37.819 38.000 0.126 0.000 1.044 318 I HN 0.390 nan 8.210 nan 0.000 0.408 319 M N -0.182 119.543 119.600 0.209 0.000 2.706 319 M HA -0.148 4.263 4.480 -0.116 0.000 0.251 319 M C 1.936 178.428 176.300 0.320 0.000 1.070 319 M CA 1.338 56.796 55.300 0.263 0.000 1.073 319 M CB -1.274 31.453 32.600 0.212 0.000 1.449 319 M HN 0.317 nan 8.290 nan 0.000 0.531 320 R N -0.807 119.822 120.500 0.215 0.000 2.435 320 R HA 0.074 4.345 4.340 -0.116 0.000 0.221 320 R C 0.999 177.352 176.300 0.088 0.000 0.885 320 R CA 0.206 56.380 56.100 0.123 0.000 1.018 320 R CB 0.590 30.933 30.300 0.072 0.000 1.259 320 R HN 0.227 nan 8.270 nan 0.000 0.597 321 N N -0.884 117.873 118.700 0.096 0.000 2.510 321 N HA 0.041 4.711 4.740 -0.116 0.000 0.186 321 N C -0.600 174.822 175.510 -0.146 0.000 1.051 321 N CA 0.552 53.554 53.050 -0.080 0.000 0.877 321 N CB 0.306 38.655 38.487 -0.230 0.000 1.183 321 N HN 0.012 nan 8.380 nan 0.000 0.443 322 Y N 0.656 121.024 120.300 0.113 0.000 2.334 322 Y HA 0.238 4.717 4.550 -0.118 0.000 0.328 322 Y C 1.493 177.476 175.900 0.139 0.000 1.130 322 Y CA -0.526 57.646 58.100 0.120 0.000 1.163 322 Y CB 1.483 40.016 38.460 0.121 0.000 1.207 322 Y HN -0.025 nan 8.280 nan 0.000 0.471 323 S N 0.528 116.398 115.700 0.284 0.000 2.540 323 S HA 0.034 4.435 4.470 -0.116 0.000 0.222 323 S C -0.100 174.629 174.600 0.215 0.000 1.008 323 S CA -0.294 58.035 58.200 0.216 0.000 0.939 323 S CB -0.338 62.959 63.200 0.162 0.000 0.865 323 S HN 0.548 nan 8.310 nan 0.000 0.499 324 Y N 4.602 124.984 120.300 0.137 0.000 2.828 324 Y HA 0.140 4.641 4.550 -0.082 0.000 0.359 324 Y C 1.599 177.530 175.900 0.051 0.000 1.258 324 Y CA -0.882 57.271 58.100 0.089 0.000 1.652 324 Y CB 0.034 38.551 38.460 0.097 0.000 1.232 324 Y HN 0.226 nan 8.280 nan 0.000 0.513 325 E N 4.738 124.798 120.200 -0.233 0.000 2.086 325 E HA -0.291 3.990 4.350 -0.116 0.000 0.200 325 E C 1.414 177.830 176.600 -0.307 0.000 1.012 325 E CA 1.943 58.202 56.400 -0.235 0.000 0.812 325 E CB 0.171 29.766 29.700 -0.174 0.000 0.743 325 E HN 0.822 nan 8.360 nan 0.000 0.453 326 K N 0.005 120.013 120.400 -0.653 0.000 2.103 326 K HA -0.176 4.075 4.320 -0.116 0.000 0.207 326 K C 2.241 178.727 176.600 -0.189 0.000 1.048 326 K CA 1.155 57.222 56.287 -0.366 0.000 0.930 326 K CB -0.194 32.029 32.500 -0.462 0.000 0.716 326 K HN 0.100 nan 8.250 nan 0.000 0.444 327 L N 1.011 122.061 121.223 -0.289 0.000 2.131 327 L HA -0.044 4.227 4.340 -0.116 0.000 0.206 327 L C 1.742 178.566 176.870 -0.076 0.000 1.087 327 L CA 1.284 56.083 54.840 -0.069 0.000 0.767 327 L CB -0.174 41.937 42.059 0.088 0.000 0.917 327 L HN 0.094 nan 8.230 nan 0.000 0.441 328 L N -1.857 119.323 121.223 -0.072 0.000 2.046 328 L HA -0.222 4.048 4.340 -0.116 0.000 0.208 328 L C 2.390 179.245 176.870 -0.025 0.000 1.077 328 L CA 1.671 56.455 54.840 -0.094 0.000 0.747 328 L CB -0.770 41.161 42.059 -0.213 0.000 0.896 328 L HN 0.519 nan 8.230 nan 0.000 0.432 329 W N 1.409 122.608 121.300 -0.168 0.000 2.354 329 W HA -0.239 4.401 4.660 -0.033 0.000 0.315 329 W C 2.843 179.309 176.519 -0.089 0.000 1.206 329 W CA 2.380 59.654 57.345 -0.118 0.000 1.290 329 W CB -0.795 28.593 29.460 -0.121 0.000 1.152 329 W HN 0.263 nan 8.180 nan 0.000 0.489 330 T N -2.246 112.108 114.554 -0.332 0.000 2.720 330 T HA -0.255 4.026 4.350 -0.116 0.000 0.268 330 T C 1.691 176.185 174.700 -0.343 0.000 1.037 330 T CA 2.395 64.184 62.100 -0.517 0.000 1.144 330 T CB -1.284 67.390 68.868 -0.324 0.000 0.864 330 T HN 0.153 nan 8.240 nan 0.000 0.444 331 T N 2.444 116.875 114.554 -0.204 0.000 2.777 331 T HA -0.108 4.173 4.350 -0.116 0.000 0.266 331 T C 2.525 177.162 174.700 -0.104 0.000 1.040 331 T CA 1.759 63.779 62.100 -0.133 0.000 1.141 331 T CB -0.663 68.158 68.868 -0.079 0.000 0.868 331 T HN 0.765 nan 8.240 nan 0.000 0.444 332 S N 2.087 117.732 115.700 -0.091 0.000 2.383 332 S HA -0.142 4.259 4.470 -0.116 0.000 0.229 332 S C 2.060 176.626 174.600 -0.057 0.000 1.030 332 S CA 0.813 58.995 58.200 -0.029 0.000 1.002 332 S CB -0.419 62.800 63.200 0.033 0.000 0.829 332 S HN 0.453 nan 8.310 nan 0.000 0.467 333 R N 0.579 120.968 120.500 -0.185 0.000 2.115 333 R HA 0.033 4.304 4.340 -0.116 0.000 0.230 333 R C 2.300 178.528 176.300 -0.119 0.000 1.111 333 R CA 1.313 57.298 56.100 -0.190 0.000 0.976 333 R CB -0.687 29.364 30.300 -0.415 0.000 0.870 333 R HN 0.418 nan 8.270 nan 0.000 0.445 334 V N 1.496 121.335 119.914 -0.126 0.000 2.307 334 V HA -0.211 3.839 4.120 -0.116 0.000 0.245 334 V C 2.376 178.452 176.094 -0.030 0.000 1.045 334 V CA 1.533 63.788 62.300 -0.075 0.000 1.024 334 V CB -0.496 31.276 31.823 -0.083 0.000 0.651 334 V HN 0.249 nan 8.190 nan 0.000 0.449 335 L N 0.037 121.249 121.223 -0.019 0.000 2.042 335 L HA -0.247 4.023 4.340 -0.116 0.000 0.210 335 L C 2.657 179.544 176.870 0.029 0.000 1.076 335 L CA 2.119 56.966 54.840 0.011 0.000 0.749 335 L CB -0.621 41.455 42.059 0.027 0.000 0.893 335 L HN 0.351 nan 8.230 nan 0.000 0.432 336 K N 0.056 120.480 120.400 0.039 0.000 2.032 336 K HA -0.195 4.056 4.320 -0.116 0.000 0.209 336 K C 1.980 178.604 176.600 0.041 0.000 1.048 336 K CA 1.724 58.051 56.287 0.067 0.000 0.927 336 K CB -0.066 32.486 32.500 0.088 0.000 0.712 336 K HN 0.086 nan 8.250 nan 0.000 0.441 337 V N 1.627 121.558 119.914 0.028 0.000 2.407 337 V HA -0.229 3.821 4.120 -0.116 0.000 0.248 337 V C 2.217 178.311 176.094 -0.001 0.000 1.055 337 V CA 1.550 63.865 62.300 0.026 0.000 1.049 337 V CB -0.297 31.557 31.823 0.052 0.000 0.662 337 V HN 0.343 nan 8.190 nan 0.000 0.455 338 L N 0.651 121.875 121.223 0.003 0.000 2.291 338 L HA -0.067 4.204 4.340 -0.116 0.000 0.214 338 L C 2.445 179.319 176.870 0.005 0.000 1.120 338 L CA 1.382 56.221 54.840 -0.001 0.000 0.799 338 L CB -0.558 41.502 42.059 0.001 0.000 0.925 338 L HN 0.524 nan 8.230 nan 0.000 0.446 339 S N -0.604 115.107 115.700 0.018 0.000 2.561 339 S HA -0.059 4.342 4.470 -0.116 0.000 0.225 339 S C 1.652 176.265 174.600 0.021 0.000 0.977 339 S CA 0.608 58.825 58.200 0.028 0.000 0.926 339 S CB -0.445 62.786 63.200 0.052 0.000 0.769 339 S HN 0.348 nan 8.310 nan 0.000 0.533 340 V N -1.435 118.481 119.914 0.003 0.000 3.235 340 V HA 0.299 4.349 4.120 -0.116 0.000 0.259 340 V C 1.146 177.230 176.094 -0.016 0.000 1.133 340 V CA -0.147 62.147 62.300 -0.010 0.000 1.128 340 V CB -1.216 30.585 31.823 -0.035 0.000 0.757 340 V HN 0.649 nan 8.190 nan 0.000 0.469 341 C N 4.334 123.625 119.300 -0.015 0.000 2.373 341 C HA 0.555 4.946 4.460 -0.116 0.000 0.354 341 C C 0.002 174.989 174.990 -0.006 0.000 1.249 341 C CA -1.414 57.594 59.018 -0.016 0.000 1.784 341 C CB 0.910 28.639 27.740 -0.019 0.000 2.408 341 C HN 0.475 nan 8.230 nan 0.000 0.542 342 P HA -0.110 nan 4.420 nan 0.000 0.220 342 P C 1.277 178.576 177.300 -0.000 0.000 1.144 342 P CA 1.530 64.629 63.100 -0.001 0.000 0.800 342 P CB 0.159 31.857 31.700 -0.004 0.000 0.772 343 S N -0.452 115.246 115.700 -0.003 0.000 2.388 343 S HA 0.001 4.402 4.470 -0.116 0.000 0.223 343 S C 1.840 176.441 174.600 0.001 0.000 1.034 343 S CA 0.545 58.745 58.200 -0.001 0.000 0.963 343 S CB -0.632 62.566 63.200 -0.004 0.000 0.827 343 S HN 0.209 nan 8.310 nan 0.000 0.481 344 N N 1.344 120.044 118.700 0.001 0.000 2.409 344 N HA 0.070 4.741 4.740 -0.116 0.000 0.179 344 N C 1.471 176.987 175.510 0.009 0.000 1.032 344 N CA 0.515 53.568 53.050 0.004 0.000 0.898 344 N CB 0.001 38.489 38.487 0.001 0.000 0.971 344 N HN 0.418 nan 8.380 nan 0.000 0.441 345 K N 0.845 121.251 120.400 0.010 0.000 1.978 345 K HA -0.121 4.130 4.320 -0.116 0.000 0.214 345 K C -0.712 175.897 176.600 0.015 0.000 1.049 345 K CA 1.405 57.701 56.287 0.015 0.000 0.939 345 K CB -1.063 31.447 32.500 0.016 0.000 0.721 345 K HN 0.117 nan 8.250 nan 0.000 0.441 346 P HA -0.177 nan 4.420 nan 0.000 0.215 346 P C 1.094 178.401 177.300 0.012 0.000 1.153 346 P CA 1.759 64.865 63.100 0.011 0.000 0.853 346 P CB -0.052 31.652 31.700 0.008 0.000 0.788 347 A N -0.610 122.217 122.820 0.011 0.000 1.908 347 A HA -0.207 4.043 4.320 -0.116 0.000 0.218 347 A C 2.242 179.836 177.584 0.016 0.000 1.181 347 A CA 1.700 53.744 52.037 0.012 0.000 0.627 347 A CB -1.701 17.305 19.000 0.011 0.000 0.818 347 A HN 0.129 nan 8.150 nan 0.000 0.445 348 I N -0.542 120.039 120.570 0.018 0.000 2.252 348 I HA -0.198 3.903 4.170 -0.116 0.000 0.245 348 I C 2.314 178.445 176.117 0.023 0.000 1.102 348 I CA 1.058 62.372 61.300 0.023 0.000 1.385 348 I CB -0.298 37.717 38.000 0.026 0.000 1.064 348 I HN 0.159 nan 8.210 nan 0.000 0.414 349 V N 0.570 120.496 119.914 0.021 0.000 2.358 349 V HA -0.211 3.840 4.120 -0.116 0.000 0.246 349 V C 2.368 178.471 176.094 0.016 0.000 1.047 349 V CA 1.619 63.930 62.300 0.019 0.000 1.035 349 V CB -0.641 31.192 31.823 0.016 0.000 0.658 349 V HN 0.393 nan 8.190 nan 0.000 0.452 350 E N 0.599 120.808 120.200 0.014 0.000 2.338 350 E HA -0.081 4.199 4.350 -0.116 0.000 0.197 350 E C 2.069 178.677 176.600 0.014 0.000 1.007 350 E CA 1.208 57.615 56.400 0.012 0.000 0.849 350 E CB -0.369 29.337 29.700 0.011 0.000 0.774 350 E HN 0.598 nan 8.360 nan 0.000 0.506 351 A N 0.100 122.931 122.820 0.018 0.000 2.238 351 A HA 0.332 4.582 4.320 -0.116 0.000 0.208 351 A C 1.584 179.182 177.584 0.023 0.000 1.177 351 A CA 0.861 52.911 52.037 0.022 0.000 0.804 351 A CB -0.111 18.904 19.000 0.026 0.000 0.823 351 A HN 0.242 nan 8.150 nan 0.000 0.482 352 G N -1.971 106.841 108.800 0.020 0.000 2.130 352 G HA2 -0.121 3.770 3.960 -0.116 0.000 0.216 352 G HA3 -0.121 3.770 3.960 -0.116 0.000 0.216 352 G C 1.183 176.098 174.900 0.024 0.000 0.999 352 G CA 0.537 45.648 45.100 0.019 0.000 0.686 352 G HN 1.183 nan 8.290 nan 0.000 0.515 353 G N 0.264 109.081 108.800 0.029 0.000 2.476 353 G HA2 -0.170 3.721 3.960 -0.116 0.000 0.218 353 G HA3 -0.170 3.721 3.960 -0.116 0.000 0.218 353 G C 1.913 176.835 174.900 0.036 0.000 1.164 353 G CA 1.810 46.933 45.100 0.038 0.000 0.768 353 G HN 0.436 nan 8.290 nan 0.000 0.560 354 M N 0.163 119.779 119.600 0.027 0.000 2.065 354 M HA -0.122 4.288 4.480 -0.116 0.000 0.259 354 M C 2.652 178.961 176.300 0.014 0.000 1.069 354 M CA 1.489 56.802 55.300 0.022 0.000 1.110 354 M CB -1.349 31.260 32.600 0.015 0.000 1.328 354 M HN 0.224 nan 8.290 nan 0.000 0.405 355 Q N 0.142 119.946 119.800 0.007 0.000 2.050 355 Q HA -0.009 4.261 4.340 -0.116 0.000 0.202 355 Q C 2.286 178.277 176.000 -0.016 0.000 0.980 355 Q CA 2.180 57.979 55.803 -0.006 0.000 0.840 355 Q CB -0.709 28.025 28.738 -0.007 0.000 0.898 355 Q HN 0.614 nan 8.270 nan 0.000 0.424 356 A N 0.029 122.853 122.820 0.006 0.000 1.930 356 A HA -0.106 4.145 4.320 -0.116 0.000 0.217 356 A C 2.008 179.619 177.584 0.046 0.000 1.175 356 A CA 1.081 53.128 52.037 0.016 0.000 0.627 356 A CB -0.554 18.483 19.000 0.062 0.000 0.815 356 A HN 0.325 nan 8.150 nan 0.000 0.443 357 L N -1.032 120.232 121.223 0.068 0.000 2.095 357 L HA -0.003 4.268 4.340 -0.116 0.000 0.204 357 L C 2.816 179.723 176.870 0.062 0.000 1.080 357 L CA 0.864 55.767 54.840 0.106 0.000 0.759 357 L CB -0.697 41.414 42.059 0.088 0.000 0.914 357 L HN 0.453 nan 8.230 nan 0.000 0.439 358 G N 0.003 108.812 108.800 0.014 0.000 2.442 358 G HA2 -0.305 3.585 3.960 -0.116 0.000 0.219 358 G HA3 -0.305 3.585 3.960 -0.116 0.000 0.219 358 G C 1.633 176.505 174.900 -0.046 0.000 1.141 358 G CA 0.752 45.848 45.100 -0.008 0.000 0.763 358 G HN 0.272 nan 8.290 nan 0.000 0.554 359 K N -0.101 120.228 120.400 -0.120 0.000 2.160 359 K HA -0.196 4.055 4.320 -0.116 0.000 0.206 359 K C 1.551 177.993 176.600 -0.264 0.000 1.047 359 K CA 1.315 57.458 56.287 -0.241 0.000 0.930 359 K CB -0.175 32.086 32.500 -0.399 0.000 0.720 359 K HN 0.395 nan 8.250 nan 0.000 0.450 360 H N -0.041 119.043 119.070 0.024 0.000 2.517 360 H HA 0.090 4.582 4.556 -0.108 0.000 0.282 360 H C 1.320 176.657 175.328 0.014 0.000 1.023 360 H CA 0.141 56.205 56.048 0.026 0.000 1.169 360 H CB 0.275 30.062 29.762 0.042 0.000 1.454 360 H HN 0.185 nan 8.280 nan 0.000 0.556 361 L N 0.770 122.038 121.223 0.076 0.000 2.551 361 L HA -0.054 4.217 4.340 -0.116 0.000 0.228 361 L C 1.788 178.673 176.870 0.024 0.000 1.153 361 L CA 1.292 56.154 54.840 0.036 0.000 0.851 361 L CB -0.074 41.989 42.059 0.006 0.000 0.959 361 L HN 0.247 nan 8.230 nan 0.000 0.451 362 T N -5.285 109.291 114.554 0.036 0.000 3.044 362 T HA 0.100 4.380 4.350 -0.116 0.000 0.260 362 T C 0.892 175.615 174.700 0.038 0.000 1.019 362 T CA 0.053 62.167 62.100 0.023 0.000 0.921 362 T CB 0.017 68.891 68.868 0.010 0.000 1.053 362 T HN 0.218 nan 8.240 nan 0.000 0.533 363 S N 2.033 117.775 115.700 0.069 0.000 2.576 363 S HA 0.177 4.577 4.470 -0.116 0.000 0.272 363 S C 0.627 175.241 174.600 0.023 0.000 1.352 363 S CA -0.584 57.655 58.200 0.065 0.000 1.021 363 S CB 0.223 63.478 63.200 0.092 0.000 0.887 363 S HN 0.256 nan 8.310 nan 0.000 0.542 364 N N 1.076 119.782 118.700 0.010 0.000 2.362 364 N HA 0.102 4.772 4.740 -0.116 0.000 0.211 364 N C -0.440 175.051 175.510 -0.030 0.000 1.170 364 N CA 0.152 53.197 53.050 -0.010 0.000 0.828 364 N CB 0.280 38.762 38.487 -0.009 0.000 1.034 364 N HN 0.550 nan 8.380 nan 0.000 0.475 365 S N 0.979 116.658 115.700 -0.034 0.000 2.577 365 S HA 0.371 4.772 4.470 -0.116 0.000 0.294 365 S C -1.742 172.820 174.600 -0.062 0.000 1.161 365 S CA -1.721 56.437 58.200 -0.071 0.000 1.143 365 S CB 1.119 64.263 63.200 -0.094 0.000 0.991 365 S HN -0.111 nan 8.310 nan 0.000 0.475 366 P HA -0.216 nan 4.420 nan 0.000 0.216 366 P C 1.456 178.736 177.300 -0.034 0.000 1.154 366 P CA 1.302 64.374 63.100 -0.047 0.000 0.865 366 P CB 0.022 31.691 31.700 -0.052 0.000 0.789 367 R N -0.706 119.742 120.500 -0.087 0.000 2.081 367 R HA -0.118 4.153 4.340 -0.116 0.000 0.235 367 R C 2.122 178.487 176.300 0.108 0.000 1.131 367 R CA 1.272 57.342 56.100 -0.050 0.000 0.960 367 R CB -1.753 28.327 30.300 -0.367 0.000 0.856 367 R HN 0.136 nan 8.270 nan 0.000 0.436 368 L N 1.622 122.878 121.223 0.055 0.000 1.976 368 L HA -0.114 4.156 4.340 -0.116 0.000 0.209 368 L C 2.327 179.261 176.870 0.107 0.000 1.071 368 L CA 1.538 56.463 54.840 0.140 0.000 0.746 368 L CB -0.531 41.556 42.059 0.047 0.000 0.890 368 L HN 0.065 nan 8.230 nan 0.000 0.432 369 V N -0.256 119.688 119.914 0.051 0.000 2.282 369 V HA -0.360 3.691 4.120 -0.116 0.000 0.249 369 V C 2.667 178.755 176.094 -0.010 0.000 1.057 369 V CA 2.071 64.387 62.300 0.026 0.000 1.032 369 V CB -0.855 30.966 31.823 -0.004 0.000 0.645 369 V HN 0.610 nan 8.190 nan 0.000 0.447 370 Q N 0.430 120.222 119.800 -0.013 0.000 2.124 370 Q HA -0.170 4.101 4.340 -0.116 0.000 0.202 370 Q C 2.061 178.048 176.000 -0.021 0.000 0.977 370 Q CA 1.794 57.535 55.803 -0.102 0.000 0.850 370 Q CB -0.529 28.216 28.738 0.012 0.000 0.901 370 Q HN 0.631 nan 8.270 nan 0.000 0.429 371 N N -0.854 117.973 118.700 0.212 0.000 2.120 371 N HA -0.137 4.534 4.740 -0.116 0.000 0.188 371 N C 1.689 177.323 175.510 0.207 0.000 1.024 371 N CA 1.484 54.726 53.050 0.320 0.000 0.852 371 N CB -0.393 38.265 38.487 0.285 0.000 1.003 371 N HN 0.336 nan 8.380 nan 0.000 0.424 372 C N 0.787 120.159 119.300 0.121 0.000 2.425 372 C HA 0.010 4.401 4.460 -0.116 0.000 0.277 372 C C 2.878 177.898 174.990 0.049 0.000 1.280 372 C CA 0.099 59.173 59.018 0.094 0.000 1.744 372 C CB -1.194 26.605 27.740 0.097 0.000 1.989 372 C HN 0.404 nan 8.230 nan 0.000 0.491 373 L N -0.954 120.241 121.223 -0.047 0.000 2.017 373 L HA -0.184 4.087 4.340 -0.116 0.000 0.208 373 L C 2.591 179.418 176.870 -0.072 0.000 1.073 373 L CA 1.888 56.646 54.840 -0.138 0.000 0.745 373 L CB -0.539 41.328 42.059 -0.320 0.000 0.894 373 L HN 0.509 nan 8.230 nan 0.000 0.432 374 W N -0.102 121.225 121.300 0.045 0.000 2.318 374 W HA -0.243 4.344 4.660 -0.122 0.000 0.313 374 W C 2.655 179.196 176.519 0.037 0.000 1.221 374 W CA 1.283 58.653 57.345 0.041 0.000 1.266 374 W CB -0.756 28.731 29.460 0.046 0.000 1.150 374 W HN 0.072 nan 8.180 nan 0.000 0.496 375 T N 0.856 115.571 114.554 0.268 0.000 2.812 375 T HA -0.129 4.152 4.350 -0.116 0.000 0.264 375 T C 1.809 176.578 174.700 0.114 0.000 1.042 375 T CA 1.113 63.313 62.100 0.165 0.000 1.140 375 T CB -0.593 68.353 68.868 0.130 0.000 0.870 375 T HN 0.058 nan 8.240 nan 0.000 0.445 376 L N 0.516 121.793 121.223 0.089 0.000 2.131 376 L HA -0.051 4.220 4.340 -0.116 0.000 0.210 376 L C 2.839 179.745 176.870 0.060 0.000 1.092 376 L CA 1.176 56.050 54.840 0.058 0.000 0.759 376 L CB -0.373 41.705 42.059 0.033 0.000 0.903 376 L HN 0.154 nan 8.230 nan 0.000 0.435 377 R N -0.029 120.520 120.500 0.081 0.000 2.093 377 R HA -0.087 4.183 4.340 -0.116 0.000 0.224 377 R C 1.987 178.344 176.300 0.095 0.000 1.101 377 R CA 1.030 57.182 56.100 0.087 0.000 0.979 377 R CB 0.041 30.408 30.300 0.113 0.000 0.877 377 R HN 0.356 nan 8.270 nan 0.000 0.441 378 N N 0.706 119.474 118.700 0.113 0.000 2.309 378 N HA -0.123 4.548 4.740 -0.116 0.000 0.182 378 N C 1.636 177.183 175.510 0.061 0.000 1.018 378 N CA 0.979 54.081 53.050 0.088 0.000 0.876 378 N CB -0.012 38.529 38.487 0.090 0.000 0.972 378 N HN 0.299 nan 8.380 nan 0.000 0.434 379 L N 0.474 121.732 121.223 0.059 0.000 2.249 379 L HA 0.009 4.280 4.340 -0.116 0.000 0.207 379 L C 2.304 179.196 176.870 0.037 0.000 1.090 379 L CA 0.517 55.383 54.840 0.043 0.000 0.802 379 L CB -0.491 41.593 42.059 0.042 0.000 0.947 379 L HN 0.158 nan 8.230 nan 0.000 0.453 380 S N 0.492 116.217 115.700 0.041 0.000 2.392 380 S HA -0.271 4.130 4.470 -0.116 0.000 0.232 380 S C 1.570 176.187 174.600 0.028 0.000 1.041 380 S CA 1.676 59.896 58.200 0.034 0.000 1.026 380 S CB -0.758 62.466 63.200 0.039 0.000 0.845 380 S HN 0.641 nan 8.310 nan 0.000 0.465 381 D N 0.750 121.169 120.400 0.031 0.000 2.350 381 D HA -0.030 4.540 4.640 -0.116 0.000 0.216 381 D C 1.571 177.880 176.300 0.016 0.000 0.968 381 D CA 0.645 54.660 54.000 0.025 0.000 0.894 381 D CB -0.203 40.614 40.800 0.029 0.000 0.909 381 D HN 0.505 nan 8.370 nan 0.000 0.520 382 V N 0.241 120.164 119.914 0.016 0.000 3.661 382 V HA 0.232 4.283 4.120 -0.116 0.000 0.271 382 V C 1.945 178.044 176.094 0.008 0.000 1.315 382 V CA 0.671 62.978 62.300 0.011 0.000 1.072 382 V CB 0.613 32.444 31.823 0.013 0.000 0.830 382 V HN 0.308 nan 8.190 nan 0.000 0.443 383 A N 0.187 123.013 122.820 0.009 0.000 2.415 383 A HA 0.125 4.375 4.320 -0.116 0.000 0.248 383 A C 1.966 179.549 177.584 -0.001 0.000 1.299 383 A CA 0.788 52.829 52.037 0.006 0.000 0.899 383 A CB -0.622 18.384 19.000 0.011 0.000 0.997 383 A HN 0.523 nan 8.150 nan 0.000 0.506 384 T N -2.461 112.089 114.554 -0.005 0.000 3.025 384 T HA -0.046 4.235 4.350 -0.116 0.000 0.270 384 T C 1.319 176.008 174.700 -0.019 0.000 1.126 384 T CA 1.224 63.314 62.100 -0.017 0.000 1.105 384 T CB -0.104 68.749 68.868 -0.026 0.000 0.884 384 T HN 0.293 nan 8.240 nan 0.000 0.522 385 K N -0.076 120.317 120.400 -0.011 0.000 2.380 385 K HA 0.266 4.517 4.320 -0.116 0.000 0.198 385 K C 0.746 177.341 176.600 -0.007 0.000 1.070 385 K CA -0.064 56.217 56.287 -0.010 0.000 1.040 385 K CB 0.184 32.680 32.500 -0.008 0.000 0.903 385 K HN 0.351 nan 8.250 nan 0.000 0.549 386 Q N 1.854 121.651 119.800 -0.005 0.000 2.333 386 Q HA -0.022 4.248 4.340 -0.116 0.000 0.299 386 Q C -0.271 175.726 176.000 -0.005 0.000 1.067 386 Q CA 1.009 56.810 55.803 -0.002 0.000 0.943 386 Q CB 0.547 29.286 28.738 0.001 0.000 1.233 386 Q HN 0.146 nan 8.270 nan 0.000 0.401 387 E N -0.691 119.507 120.200 -0.003 0.000 2.239 387 E HA 0.537 4.818 4.350 -0.116 0.000 0.261 387 E C 0.325 176.923 176.600 -0.004 0.000 1.016 387 E CA -0.085 56.312 56.400 -0.004 0.000 0.882 387 E CB 0.826 30.524 29.700 -0.003 0.000 1.190 387 E HN 0.706 nan 8.360 nan 0.000 0.415 388 G N 0.552 109.349 108.800 -0.005 0.000 2.295 388 G HA2 -0.259 3.632 3.960 -0.116 0.000 0.287 388 G HA3 -0.259 3.632 3.960 -0.116 0.000 0.287 388 G C 0.171 175.067 174.900 -0.007 0.000 1.055 388 G CA 0.355 45.451 45.100 -0.006 0.000 0.922 388 G HN 0.375 nan 8.290 nan 0.000 0.503 389 L N -0.942 120.277 121.223 -0.008 0.000 2.667 389 L HA 0.201 4.472 4.340 -0.116 0.000 0.232 389 L C 2.243 179.107 176.870 -0.010 0.000 1.138 389 L CA 0.152 54.987 54.840 -0.008 0.000 0.921 389 L CB 0.042 42.096 42.059 -0.007 0.000 1.180 389 L HN 0.239 nan 8.230 nan 0.000 0.487 390 E N 0.903 121.097 120.200 -0.010 0.000 2.068 390 E HA -0.281 4.000 4.350 -0.116 0.000 0.207 390 E C 2.302 178.895 176.600 -0.010 0.000 1.032 390 E CA 2.278 58.672 56.400 -0.009 0.000 0.839 390 E CB -0.245 29.450 29.700 -0.008 0.000 0.758 390 E HN 0.506 nan 8.360 nan 0.000 0.457 391 S N 0.209 115.902 115.700 -0.012 0.000 2.353 391 S HA -0.192 4.209 4.470 -0.116 0.000 0.222 391 S C 2.239 176.830 174.600 -0.015 0.000 1.035 391 S CA 1.537 59.728 58.200 -0.015 0.000 1.025 391 S CB -0.937 62.251 63.200 -0.020 0.000 0.902 391 S HN 0.109 nan 8.310 nan 0.000 0.440 392 V N 2.706 122.611 119.914 -0.015 0.000 2.255 392 V HA -0.168 3.883 4.120 -0.116 0.000 0.247 392 V C 2.632 178.720 176.094 -0.010 0.000 1.051 392 V CA 1.990 64.282 62.300 -0.012 0.000 1.018 392 V CB -1.138 30.680 31.823 -0.008 0.000 0.641 392 V HN 0.429 nan 8.190 nan 0.000 0.445 393 L N -0.265 120.953 121.223 -0.009 0.000 2.129 393 L HA -0.247 4.024 4.340 -0.116 0.000 0.212 393 L C 2.633 179.499 176.870 -0.007 0.000 1.087 393 L CA 1.978 56.813 54.840 -0.007 0.000 0.757 393 L CB -0.510 41.543 42.059 -0.009 0.000 0.896 393 L HN 0.370 nan 8.230 nan 0.000 0.434 394 K N 0.903 121.298 120.400 -0.008 0.000 2.031 394 K HA -0.135 4.116 4.320 -0.116 0.000 0.205 394 K C 1.989 178.584 176.600 -0.008 0.000 1.049 394 K CA 1.269 57.552 56.287 -0.007 0.000 0.939 394 K CB -0.024 32.472 32.500 -0.007 0.000 0.717 394 K HN 0.392 nan 8.250 nan 0.000 0.438 395 I N -0.749 119.814 120.570 -0.011 0.000 3.111 395 I HA -0.109 3.992 4.170 -0.116 0.000 0.272 395 I C 1.687 177.795 176.117 -0.015 0.000 1.268 395 I CA 0.556 61.849 61.300 -0.013 0.000 1.467 395 I CB -0.310 37.682 38.000 -0.014 0.000 1.087 395 I HN 0.079 nan 8.210 nan 0.000 0.467 396 L N 0.816 122.031 121.223 -0.014 0.000 2.023 396 L HA -0.080 4.191 4.340 -0.116 0.000 0.205 396 L C 2.745 179.607 176.870 -0.013 0.000 1.073 396 L CA 0.809 55.639 54.840 -0.017 0.000 0.745 396 L CB -0.462 41.590 42.059 -0.013 0.000 0.900 396 L HN 0.063 nan 8.230 nan 0.000 0.435 397 V N 0.390 120.300 119.914 -0.006 0.000 2.380 397 V HA -0.293 3.758 4.120 -0.116 0.000 0.251 397 V C 2.016 178.108 176.094 -0.004 0.000 1.063 397 V CA 1.780 64.080 62.300 -0.001 0.000 1.055 397 V CB -0.743 31.082 31.823 0.004 0.000 0.657 397 V HN 0.498 nan 8.190 nan 0.000 0.455 398 N N -0.168 118.526 118.700 -0.010 0.000 2.459 398 N HA -0.096 4.575 4.740 -0.116 0.000 0.181 398 N C 1.701 177.199 175.510 -0.020 0.000 1.046 398 N CA 0.795 53.837 53.050 -0.015 0.000 0.904 398 N CB -0.116 38.362 38.487 -0.015 0.000 0.964 398 N HN 0.618 nan 8.380 nan 0.000 0.444 399 Q N -0.350 119.437 119.800 -0.022 0.000 2.319 399 Q HA 0.223 4.494 4.340 -0.116 0.000 0.202 399 Q C 1.279 177.263 176.000 -0.027 0.000 0.896 399 Q CA -0.051 55.734 55.803 -0.029 0.000 0.942 399 Q CB 0.491 29.206 28.738 -0.038 0.000 1.083 399 Q HN 0.343 nan 8.270 nan 0.000 0.510 400 L N 0.215 121.429 121.223 -0.016 0.000 2.551 400 L HA -0.026 4.245 4.340 -0.116 0.000 0.228 400 L C 2.034 178.902 176.870 -0.003 0.000 1.153 400 L CA 0.493 55.331 54.840 -0.004 0.000 0.851 400 L CB 0.003 42.069 42.059 0.012 0.000 0.959 400 L HN 0.082 nan 8.230 nan 0.000 0.451 401 S N -0.956 114.733 115.700 -0.019 0.000 2.575 401 S HA 0.115 4.516 4.470 -0.116 0.000 0.215 401 S C 0.675 175.257 174.600 -0.030 0.000 0.966 401 S CA -0.356 57.824 58.200 -0.035 0.000 0.911 401 S CB 0.059 63.228 63.200 -0.051 0.000 0.780 401 S HN 0.035 nan 8.310 nan 0.000 0.514 402 V N 1.841 121.740 119.914 -0.025 0.000 2.785 402 V HA 0.244 4.295 4.120 -0.116 0.000 0.300 402 V C 1.240 177.323 176.094 -0.019 0.000 1.062 402 V CA -0.233 62.052 62.300 -0.026 0.000 1.029 402 V CB 1.480 33.283 31.823 -0.032 0.000 1.024 402 V HN 0.261 nan 8.190 nan 0.000 0.477 403 D N 0.774 121.164 120.400 -0.017 0.000 2.213 403 D HA -0.049 4.521 4.640 -0.116 0.000 0.205 403 D C 0.794 177.088 176.300 -0.009 0.000 0.961 403 D CA 0.332 54.326 54.000 -0.010 0.000 0.853 403 D CB -0.031 40.764 40.800 -0.009 0.000 0.967 403 D HN 0.673 nan 8.370 nan 0.000 0.496 404 D N -0.291 120.100 120.400 -0.015 0.000 2.520 404 D HA -0.087 4.484 4.640 -0.116 0.000 0.243 404 D C 1.356 177.646 176.300 -0.016 0.000 1.160 404 D CA 0.051 54.042 54.000 -0.015 0.000 0.877 404 D CB 1.268 42.051 40.800 -0.028 0.000 1.150 404 D HN -0.139 nan 8.370 nan 0.000 0.494 405 V N 4.425 124.340 119.914 0.002 0.000 2.548 405 V HA -0.171 3.879 4.120 -0.116 0.000 0.249 405 V C 2.056 178.153 176.094 0.005 0.000 1.055 405 V CA 1.136 63.442 62.300 0.011 0.000 1.065 405 V CB -0.468 31.374 31.823 0.031 0.000 0.681 405 V HN 0.550 nan 8.190 nan 0.000 0.462 406 N N 0.284 118.984 118.700 0.000 0.000 2.171 406 N HA -0.074 4.597 4.740 -0.116 0.000 0.184 406 N C 1.855 177.227 175.510 -0.230 0.000 1.021 406 N CA 1.132 54.152 53.050 -0.050 0.000 0.854 406 N CB -0.334 38.176 38.487 0.038 0.000 0.994 406 N HN 0.321 nan 8.380 nan 0.000 0.426 407 V N 1.649 121.452 119.914 -0.184 0.000 2.233 407 V HA -0.223 3.828 4.120 -0.116 0.000 0.247 407 V C 2.397 178.407 176.094 -0.141 0.000 1.050 407 V CA 1.284 63.468 62.300 -0.194 0.000 1.010 407 V CB -0.586 31.164 31.823 -0.122 0.000 0.637 407 V HN 0.141 nan 8.190 nan 0.000 0.444 408 L N -0.023 121.151 121.223 -0.080 0.000 1.997 408 L HA -0.241 4.029 4.340 -0.116 0.000 0.216 408 L C 2.644 179.488 176.870 -0.043 0.000 1.074 408 L CA 2.649 57.461 54.840 -0.046 0.000 0.763 408 L CB -1.411 40.636 42.059 -0.019 0.000 0.890 408 L HN 0.375 nan 8.230 nan 0.000 0.434 409 T N -1.842 112.688 114.554 -0.040 0.000 2.699 409 T HA -0.248 4.033 4.350 -0.116 0.000 0.268 409 T C 2.015 176.699 174.700 -0.027 0.000 1.036 409 T CA 1.725 63.821 62.100 -0.008 0.000 1.147 409 T CB -0.601 68.292 68.868 0.041 0.000 0.862 409 T HN 0.400 nan 8.240 nan 0.000 0.446 410 C N 1.214 120.444 119.300 -0.117 0.000 2.466 410 C HA 0.209 4.600 4.460 -0.116 0.000 0.278 410 C C 3.232 178.178 174.990 -0.073 0.000 1.288 410 C CA 0.264 59.204 59.018 -0.129 0.000 1.722 410 C CB -1.343 26.196 27.740 -0.335 0.000 2.017 410 C HN 0.664 nan 8.230 nan 0.000 0.488 411 A N -0.631 122.141 122.820 -0.081 0.000 1.873 411 A HA -0.183 4.067 4.320 -0.116 0.000 0.215 411 A C 2.255 179.828 177.584 -0.018 0.000 1.186 411 A CA 2.441 54.450 52.037 -0.047 0.000 0.616 411 A CB -1.232 17.739 19.000 -0.049 0.000 0.823 411 A HN 0.498 nan 8.150 nan 0.000 0.442 412 T N -0.843 113.702 114.554 -0.014 0.000 2.746 412 T HA -0.019 4.262 4.350 -0.116 0.000 0.267 412 T C 1.833 176.540 174.700 0.012 0.000 1.039 412 T CA 2.003 64.104 62.100 0.000 0.000 1.142 412 T CB -0.535 68.334 68.868 0.002 0.000 0.866 412 T HN 0.495 nan 8.240 nan 0.000 0.444 413 G N -0.546 108.264 108.800 0.017 0.000 2.402 413 G HA2 -0.159 3.732 3.960 -0.116 0.000 0.216 413 G HA3 -0.159 3.732 3.960 -0.116 0.000 0.216 413 G C 1.732 176.657 174.900 0.042 0.000 1.162 413 G CA 1.472 46.593 45.100 0.036 0.000 0.777 413 G HN 0.524 nan 8.290 nan 0.000 0.539 414 T N 0.293 114.865 114.554 0.029 0.000 2.857 414 T HA 0.059 4.340 4.350 -0.116 0.000 0.266 414 T C 2.476 177.195 174.700 0.032 0.000 1.048 414 T CA 0.778 62.897 62.100 0.030 0.000 1.139 414 T CB -0.210 68.668 68.868 0.017 0.000 0.874 414 T HN 0.173 nan 8.240 nan 0.000 0.455 415 L N 0.675 121.914 121.223 0.026 0.000 2.083 415 L HA -0.049 4.221 4.340 -0.116 0.000 0.209 415 L C 2.934 179.842 176.870 0.064 0.000 1.083 415 L CA 1.324 56.183 54.840 0.031 0.000 0.752 415 L CB -0.592 41.479 42.059 0.020 0.000 0.899 415 L HN 0.315 nan 8.230 nan 0.000 0.433 416 S N 0.147 115.888 115.700 0.069 0.000 2.353 416 S HA -0.194 4.206 4.470 -0.116 0.000 0.222 416 S C 1.839 176.564 174.600 0.208 0.000 1.035 416 S CA 1.770 60.042 58.200 0.120 0.000 1.025 416 S CB -0.155 63.084 63.200 0.064 0.000 0.902 416 S HN 0.430 nan 8.310 nan 0.000 0.440 417 N N 1.481 120.253 118.700 0.120 0.000 2.058 417 N HA 0.024 4.695 4.740 -0.116 0.000 0.191 417 N C 1.747 177.280 175.510 0.038 0.000 1.037 417 N CA 1.283 54.383 53.050 0.083 0.000 0.848 417 N CB -0.786 37.735 38.487 0.057 0.000 1.021 417 N HN 0.395 nan 8.380 nan 0.000 0.422 418 L N 0.658 121.901 121.223 0.034 0.000 2.349 418 L HA -0.106 4.165 4.340 -0.116 0.000 0.220 418 L C 1.523 178.388 176.870 -0.009 0.000 1.130 418 L CA 1.244 56.089 54.840 0.008 0.000 0.791 418 L CB -0.694 41.371 42.059 0.009 0.000 0.918 418 L HN 0.336 nan 8.230 nan 0.000 0.444 419 T N -4.962 109.606 114.554 0.022 0.000 3.163 419 T HA 0.051 4.331 4.350 -0.116 0.000 0.252 419 T C 0.535 175.128 174.700 -0.179 0.000 1.056 419 T CA -0.459 61.639 62.100 -0.004 0.000 0.947 419 T CB -0.605 68.326 68.868 0.105 0.000 1.016 419 T HN 0.222 nan 8.240 nan 0.000 0.554 420 C N 3.334 122.483 119.300 -0.250 0.000 2.442 420 C HA 0.397 4.787 4.460 -0.116 0.000 0.362 420 C C 0.502 175.345 174.990 -0.245 0.000 1.242 420 C CA -0.576 58.168 59.018 -0.456 0.000 1.741 420 C CB -2.066 25.519 27.740 -0.259 0.000 2.378 420 C HN 0.721 nan 8.230 nan 0.000 0.549 421 N N 3.900 122.457 118.700 -0.239 0.000 2.688 421 N HA -0.208 4.463 4.740 -0.116 0.000 0.258 421 N C -0.781 174.680 175.510 -0.082 0.000 1.016 421 N CA 1.198 54.178 53.050 -0.116 0.000 0.747 421 N CB -1.029 37.408 38.487 -0.083 0.000 0.895 421 N HN 0.898 nan 8.380 nan 0.000 0.543 422 N N -0.426 118.223 118.700 -0.085 0.000 2.732 422 N HA 0.091 4.761 4.740 -0.116 0.000 0.247 422 N C 0.733 176.200 175.510 -0.072 0.000 1.305 422 N CA 0.288 53.300 53.050 -0.063 0.000 0.762 422 N CB 0.452 38.901 38.487 -0.063 0.000 1.361 422 N HN 0.104 nan 8.380 nan 0.000 0.545 423 S N 1.840 117.518 115.700 -0.036 0.000 2.400 423 S HA -0.131 4.270 4.470 -0.116 0.000 0.232 423 S C 1.726 176.294 174.600 -0.054 0.000 1.025 423 S CA 0.729 58.918 58.200 -0.018 0.000 0.993 423 S CB 0.098 63.338 63.200 0.068 0.000 0.808 423 S HN 0.346 nan 8.310 nan 0.000 0.478 424 K N 1.961 122.340 120.400 -0.034 0.000 1.991 424 K HA -0.005 4.246 4.320 -0.116 0.000 0.212 424 K C 1.985 178.551 176.600 -0.056 0.000 1.049 424 K CA 1.563 57.833 56.287 -0.029 0.000 0.932 424 K CB -0.905 31.584 32.500 -0.018 0.000 0.717 424 K HN 0.398 nan 8.250 nan 0.000 0.441 425 N N 1.234 119.895 118.700 -0.065 0.000 2.120 425 N HA -0.124 4.547 4.740 -0.116 0.000 0.188 425 N C 1.713 177.153 175.510 -0.117 0.000 1.024 425 N CA 1.099 54.108 53.050 -0.068 0.000 0.852 425 N CB -0.183 38.273 38.487 -0.051 0.000 1.003 425 N HN 0.247 nan 8.380 nan 0.000 0.424 426 K N -0.118 120.157 120.400 -0.207 0.000 2.009 426 K HA -0.110 4.140 4.320 -0.116 0.000 0.210 426 K C 2.081 178.399 176.600 -0.470 0.000 1.049 426 K CA 1.617 57.653 56.287 -0.418 0.000 0.929 426 K CB -0.499 31.555 32.500 -0.743 0.000 0.714 426 K HN 0.133 nan 8.250 nan 0.000 0.440 427 T N 0.971 115.310 114.554 -0.358 0.000 2.915 427 T HA -0.088 4.192 4.350 -0.116 0.000 0.269 427 T C 1.679 176.375 174.700 -0.007 0.000 1.071 427 T CA 0.690 62.768 62.100 -0.037 0.000 1.132 427 T CB -0.055 68.883 68.868 0.117 0.000 0.878 427 T HN 0.041 nan 8.240 nan 0.000 0.479 428 L N 0.816 122.015 121.223 -0.040 0.000 2.068 428 L HA 0.167 4.438 4.340 -0.116 0.000 0.204 428 L C 2.518 179.380 176.870 -0.012 0.000 1.076 428 L CA 1.442 56.272 54.840 -0.016 0.000 0.753 428 L CB -0.910 41.137 42.059 -0.020 0.000 0.910 428 L HN 0.101 nan 8.230 nan 0.000 0.439 429 V N -0.876 119.021 119.914 -0.029 0.000 2.261 429 V HA -0.297 3.754 4.120 -0.116 0.000 0.246 429 V C 2.582 178.680 176.094 0.007 0.000 1.047 429 V CA 2.204 64.496 62.300 -0.013 0.000 1.015 429 V CB -0.904 30.908 31.823 -0.019 0.000 0.642 429 V HN 0.614 nan 8.190 nan 0.000 0.446 430 T N -1.545 113.016 114.554 0.013 0.000 2.977 430 T HA -0.242 4.039 4.350 -0.116 0.000 0.271 430 T C 1.778 176.512 174.700 0.056 0.000 1.105 430 T CA 1.774 63.910 62.100 0.060 0.000 1.116 430 T CB -0.122 68.836 68.868 0.151 0.000 0.878 430 T HN 0.554 nan 8.240 nan 0.000 0.509 431 Q N -0.098 119.726 119.800 0.041 0.000 2.376 431 Q HA 0.162 4.433 4.340 -0.116 0.000 0.206 431 Q C 0.250 176.265 176.000 0.024 0.000 0.921 431 Q CA 0.387 56.211 55.803 0.035 0.000 0.911 431 Q CB 0.432 29.189 28.738 0.031 0.000 1.032 431 Q HN 0.302 nan 8.270 nan 0.000 0.510 432 N N -0.081 118.631 118.700 0.019 0.000 2.761 432 N HA 0.138 4.809 4.740 -0.116 0.000 0.317 432 N C -1.008 174.512 175.510 0.018 0.000 1.546 432 N CA 0.003 53.061 53.050 0.015 0.000 1.015 432 N CB 1.215 39.707 38.487 0.008 0.000 1.343 432 N HN -0.048 nan 8.380 nan 0.000 0.504 433 S N -1.334 114.382 115.700 0.025 0.000 3.445 433 S HA -0.202 4.199 4.470 -0.116 0.000 0.319 433 S C 1.559 176.182 174.600 0.037 0.000 1.209 433 S CA 0.967 59.187 58.200 0.033 0.000 0.934 433 S CB -1.383 61.833 63.200 0.028 0.000 0.999 433 S HN 0.700 nan 8.310 nan 0.000 0.582 434 G N 0.339 109.157 108.800 0.031 0.000 2.422 434 G HA2 -0.029 3.861 3.960 -0.116 0.000 0.218 434 G HA3 -0.029 3.861 3.960 -0.116 0.000 0.218 434 G C 1.184 176.106 174.900 0.037 0.000 1.140 434 G CA 1.039 46.157 45.100 0.029 0.000 0.775 434 G HN 0.571 nan 8.290 nan 0.000 0.545 435 V N 0.410 120.348 119.914 0.041 0.000 2.379 435 V HA -0.119 3.932 4.120 -0.116 0.000 0.245 435 V C 2.512 178.633 176.094 0.045 0.000 1.044 435 V CA 2.079 64.402 62.300 0.038 0.000 1.036 435 V CB -0.227 31.618 31.823 0.036 0.000 0.664 435 V HN 0.536 nan 8.190 nan 0.000 0.453 436 E N 0.497 120.738 120.200 0.069 0.000 2.031 436 E HA -0.218 4.062 4.350 -0.116 0.000 0.193 436 E C 2.285 179.004 176.600 0.199 0.000 0.994 436 E CA 1.386 57.861 56.400 0.124 0.000 0.800 436 E CB -0.271 29.517 29.700 0.147 0.000 0.752 436 E HN 0.521 nan 8.360 nan 0.000 0.447 437 A N 1.071 123.977 122.820 0.144 0.000 1.908 437 A HA -0.195 4.056 4.320 -0.116 0.000 0.218 437 A C 2.224 179.874 177.584 0.109 0.000 1.181 437 A CA 1.352 53.467 52.037 0.129 0.000 0.627 437 A CB -0.767 18.267 19.000 0.058 0.000 0.818 437 A HN 0.337 nan 8.150 nan 0.000 0.445 438 L N -0.689 120.573 121.223 0.065 0.000 2.083 438 L HA -0.172 4.099 4.340 -0.116 0.000 0.209 438 L C 2.462 179.346 176.870 0.024 0.000 1.083 438 L CA 1.213 56.074 54.840 0.035 0.000 0.752 438 L CB -0.404 41.664 42.059 0.015 0.000 0.899 438 L HN 0.402 nan 8.230 nan 0.000 0.433 439 I N -1.178 119.397 120.570 0.008 0.000 2.315 439 I HA -0.290 3.811 4.170 -0.116 0.000 0.248 439 I C 2.355 178.417 176.117 -0.091 0.000 1.117 439 I CA 1.254 62.519 61.300 -0.058 0.000 1.404 439 I CB -0.367 37.568 38.000 -0.109 0.000 1.071 439 I HN 0.293 nan 8.210 nan 0.000 0.419 440 H N 0.480 119.560 119.070 0.017 0.000 2.357 440 H HA -0.018 4.468 4.556 -0.115 0.000 0.301 440 H C 2.315 177.646 175.328 0.005 0.000 1.082 440 H CA 1.372 57.427 56.048 0.013 0.000 1.342 440 H CB -0.110 29.658 29.762 0.011 0.000 1.389 440 H HN 0.300 nan 8.280 nan 0.000 0.511 441 A N 0.344 123.236 122.820 0.120 0.000 2.131 441 A HA -0.121 4.130 4.320 -0.116 0.000 0.220 441 A C 2.189 179.794 177.584 0.034 0.000 1.158 441 A CA 1.196 53.270 52.037 0.060 0.000 0.665 441 A CB -0.548 18.476 19.000 0.040 0.000 0.795 441 A HN 0.409 nan 8.150 nan 0.000 0.460 442 I N -1.087 119.496 120.570 0.023 0.000 2.429 442 I HA -0.104 3.997 4.170 -0.116 0.000 0.247 442 I C 2.078 178.196 176.117 0.002 0.000 1.099 442 I CA 0.630 61.932 61.300 0.004 0.000 1.422 442 I CB -0.115 37.879 38.000 -0.011 0.000 1.112 442 I HN 0.258 nan 8.210 nan 0.000 0.430 443 L N 0.263 121.484 121.223 -0.003 0.000 2.191 443 L HA -0.173 4.097 4.340 -0.116 0.000 0.212 443 L C 2.592 179.472 176.870 0.017 0.000 1.103 443 L CA 1.154 55.993 54.840 -0.002 0.000 0.769 443 L CB -0.497 41.550 42.059 -0.020 0.000 0.908 443 L HN 0.201 nan 8.230 nan 0.000 0.438 444 R N -0.075 120.444 120.500 0.032 0.000 2.127 444 R HA 0.008 4.279 4.340 -0.116 0.000 0.217 444 R C 2.246 178.557 176.300 0.018 0.000 1.074 444 R CA 0.923 57.041 56.100 0.031 0.000 0.991 444 R CB -0.009 30.316 30.300 0.041 0.000 0.895 444 R HN 0.294 nan 8.270 nan 0.000 0.450 445 A N 0.123 122.952 122.820 0.016 0.000 2.072 445 A HA 0.200 4.451 4.320 -0.116 0.000 0.216 445 A C 1.561 179.149 177.584 0.007 0.000 1.156 445 A CA 1.039 53.083 52.037 0.012 0.000 0.701 445 A CB -0.521 18.487 19.000 0.012 0.000 0.816 445 A HN 0.535 nan 8.150 nan 0.000 0.458 446 G N 1.147 109.949 108.800 0.003 0.000 2.774 446 G HA2 -0.512 3.379 3.960 -0.116 0.000 0.342 446 G HA3 -0.512 3.379 3.960 -0.116 0.000 0.342 446 G C 0.677 175.574 174.900 -0.005 0.000 1.185 446 G CA 1.348 46.447 45.100 -0.002 0.000 0.956 446 G HN 0.935 nan 8.290 nan 0.000 0.561 447 D N 1.314 121.710 120.400 -0.006 0.000 2.339 447 D HA 0.147 4.718 4.640 -0.116 0.000 0.217 447 D C 0.801 177.099 176.300 -0.004 0.000 1.050 447 D CA 0.353 54.347 54.000 -0.009 0.000 0.856 447 D CB -0.102 40.690 40.800 -0.013 0.000 0.922 447 D HN 0.533 nan 8.370 nan 0.000 0.518 448 K N 1.928 122.330 120.400 0.003 0.000 2.167 448 K HA 0.014 4.265 4.320 -0.116 0.000 0.275 448 K C 0.400 177.007 176.600 0.012 0.000 1.103 448 K CA -0.048 56.245 56.287 0.011 0.000 0.963 448 K CB 0.634 33.144 32.500 0.016 0.000 1.243 448 K HN 0.194 nan 8.250 nan 0.000 0.407 449 D N 1.435 121.842 120.400 0.011 0.000 2.350 449 D HA -0.161 4.409 4.640 -0.116 0.000 0.216 449 D C 0.345 176.659 176.300 0.024 0.000 0.968 449 D CA 0.731 54.739 54.000 0.013 0.000 0.894 449 D CB 0.171 40.978 40.800 0.011 0.000 0.909 449 D HN 0.329 nan 8.370 nan 0.000 0.520 450 D N -0.089 120.330 120.400 0.032 0.000 2.310 450 D HA 0.032 4.602 4.640 -0.116 0.000 0.212 450 D C 1.790 178.113 176.300 0.038 0.000 0.965 450 D CA 0.604 54.630 54.000 0.044 0.000 0.879 450 D CB 0.200 41.034 40.800 0.056 0.000 0.921 450 D HN 0.395 nan 8.370 nan 0.000 0.510 451 I N -0.874 119.712 120.570 0.026 0.000 3.673 451 I HA -0.084 4.017 4.170 -0.116 0.000 0.281 451 I C 2.269 178.393 176.117 0.011 0.000 1.182 451 I CA 0.619 61.931 61.300 0.019 0.000 1.391 451 I CB -0.074 37.935 38.000 0.016 0.000 1.383 451 I HN -0.027 nan 8.210 nan 0.000 0.456 452 T N -1.223 113.336 114.554 0.008 0.000 2.821 452 T HA -0.207 4.074 4.350 -0.116 0.000 0.267 452 T C 1.635 176.333 174.700 -0.002 0.000 1.046 452 T CA 1.552 63.652 62.100 0.001 0.000 1.139 452 T CB -0.343 68.523 68.868 -0.003 0.000 0.871 452 T HN 0.369 nan 8.240 nan 0.000 0.454 453 E N 2.234 122.437 120.200 0.006 0.000 2.017 453 E HA -0.107 4.174 4.350 -0.116 0.000 0.193 453 E C -0.322 176.277 176.600 -0.003 0.000 0.997 453 E CA 1.317 57.721 56.400 0.008 0.000 0.804 453 E CB -0.716 28.998 29.700 0.024 0.000 0.757 453 E HN 0.424 nan 8.360 nan 0.000 0.448 454 P HA -0.175 nan 4.420 nan 0.000 0.216 454 P C 1.129 178.412 177.300 -0.028 0.000 1.150 454 P CA 1.955 65.054 63.100 -0.001 0.000 0.837 454 P CB -0.111 31.600 31.700 0.019 0.000 0.786 455 A N -0.000 122.808 122.820 -0.020 0.000 1.902 455 A HA -0.118 4.132 4.320 -0.116 0.000 0.217 455 A C 2.478 180.032 177.584 -0.050 0.000 1.181 455 A CA 1.936 53.957 52.037 -0.026 0.000 0.623 455 A CB -1.620 17.374 19.000 -0.010 0.000 0.818 455 A HN 0.079 nan 8.150 nan 0.000 0.443 456 V N -1.044 118.841 119.914 -0.049 0.000 2.453 456 V HA -0.266 3.785 4.120 -0.116 0.000 0.247 456 V C 2.611 178.634 176.094 -0.117 0.000 1.048 456 V CA 1.738 64.004 62.300 -0.058 0.000 1.049 456 V CB -1.069 30.735 31.823 -0.032 0.000 0.672 456 V HN 0.713 nan 8.190 nan 0.000 0.457 457 C N 0.368 119.575 119.300 -0.155 0.000 2.436 457 C HA -0.118 4.272 4.460 -0.116 0.000 0.277 457 C C 3.145 177.726 174.990 -0.682 0.000 1.241 457 C CA 0.952 59.768 59.018 -0.338 0.000 1.721 457 C CB -1.303 26.310 27.740 -0.212 0.000 2.043 457 C HN 0.623 nan 8.230 nan 0.000 0.472 458 A N 0.151 122.743 122.820 -0.381 0.000 1.917 458 A HA -0.187 4.064 4.320 -0.116 0.000 0.219 458 A C 2.118 179.607 177.584 -0.158 0.000 1.182 458 A CA 1.748 53.648 52.037 -0.230 0.000 0.633 458 A CB -0.705 18.262 19.000 -0.055 0.000 0.819 458 A HN 0.656 nan 8.150 nan 0.000 0.448 459 L N -1.598 119.550 121.223 -0.124 0.000 2.141 459 L HA -0.122 4.149 4.340 -0.116 0.000 0.209 459 L C 2.802 179.651 176.870 -0.036 0.000 1.094 459 L CA 1.398 56.208 54.840 -0.050 0.000 0.763 459 L CB -0.407 41.630 42.059 -0.036 0.000 0.908 459 L HN 0.447 nan 8.230 nan 0.000 0.437 460 R N -0.558 119.882 120.500 -0.099 0.000 2.115 460 R HA -0.151 4.120 4.340 -0.116 0.000 0.230 460 R C 2.186 178.540 176.300 0.090 0.000 1.111 460 R CA 1.366 57.452 56.100 -0.024 0.000 0.976 460 R CB -0.160 30.114 30.300 -0.043 0.000 0.870 460 R HN 0.521 nan 8.270 nan 0.000 0.445 461 H N -0.333 118.764 119.070 0.045 0.000 2.357 461 H HA -0.058 4.429 4.556 -0.116 0.000 0.301 461 H C 1.932 177.308 175.328 0.080 0.000 1.082 461 H CA 1.089 57.164 56.048 0.046 0.000 1.342 461 H CB 0.084 29.855 29.762 0.014 0.000 1.389 461 H HN 0.155 nan 8.280 nan 0.000 0.511 462 L N 0.928 122.265 121.223 0.190 0.000 2.551 462 L HA -0.047 4.224 4.340 -0.116 0.000 0.228 462 L C 1.465 178.530 176.870 0.324 0.000 1.153 462 L CA 0.970 55.943 54.840 0.221 0.000 0.851 462 L CB -0.188 41.944 42.059 0.122 0.000 0.959 462 L HN 0.406 nan 8.230 nan 0.000 0.451 463 T N -4.150 110.518 114.554 0.189 0.000 3.214 463 T HA 0.248 4.528 4.350 -0.116 0.000 0.264 463 T C 0.330 175.072 174.700 0.070 0.000 1.012 463 T CA -0.034 62.126 62.100 0.100 0.000 0.901 463 T CB 0.018 68.919 68.868 0.054 0.000 1.070 463 T HN 0.235 nan 8.240 nan 0.000 0.561 464 S N 0.568 116.344 115.700 0.126 0.000 2.558 464 S HA 0.553 4.953 4.470 -0.116 0.000 0.277 464 S C -0.475 174.211 174.600 0.142 0.000 1.143 464 S CA -1.169 57.080 58.200 0.082 0.000 0.865 464 S CB 1.301 64.550 63.200 0.082 0.000 1.102 464 S HN 0.340 nan 8.310 nan 0.000 0.454 465 R N 0.468 121.005 120.500 0.063 0.000 3.532 465 R HA -0.187 4.084 4.340 -0.116 0.000 0.284 465 R C -0.677 175.720 176.300 0.162 0.000 1.140 465 R CA 1.554 57.704 56.100 0.083 0.000 0.768 465 R CB -2.982 27.367 30.300 0.081 0.000 1.252 465 R HN 1.197 nan 8.270 nan 0.000 0.454 466 H N -5.175 113.903 119.070 0.013 0.000 3.094 466 H HA 0.302 4.789 4.556 -0.115 0.000 0.335 466 H C -2.662 172.672 175.328 0.009 0.000 1.254 466 H CA -1.742 54.312 56.048 0.010 0.000 1.240 466 H CB 1.242 31.012 29.762 0.012 0.000 1.936 466 H HN -0.303 nan 8.280 nan 0.000 0.536 467 P HA -0.247 nan 4.420 nan 0.000 0.219 467 P C 0.531 177.757 177.300 -0.122 0.000 1.158 467 P CA 1.733 64.813 63.100 -0.033 0.000 0.895 467 P CB 0.250 31.977 31.700 0.046 0.000 0.792 468 E N -1.719 118.402 120.200 -0.131 0.000 2.368 468 E HA 0.214 4.495 4.350 -0.116 0.000 0.188 468 E C 1.588 177.998 176.600 -0.316 0.000 1.061 468 E CA 0.067 56.407 56.400 -0.101 0.000 0.933 468 E CB -0.211 29.573 29.700 0.141 0.000 1.091 468 E HN 0.187 nan 8.360 nan 0.000 0.458 469 A N 1.054 123.467 122.820 -0.678 0.000 1.933 469 A HA -0.213 4.037 4.320 -0.116 0.000 0.218 469 A C 2.115 179.594 177.584 -0.176 0.000 1.175 469 A CA 1.465 53.209 52.037 -0.490 0.000 0.628 469 A CB -0.224 18.526 19.000 -0.417 0.000 0.814 469 A HN 0.269 nan 8.150 nan 0.000 0.444 470 E N -0.743 119.373 120.200 -0.141 0.000 2.150 470 E HA -0.179 4.102 4.350 -0.116 0.000 0.193 470 E C 1.970 178.536 176.600 -0.056 0.000 0.985 470 E CA 1.148 57.500 56.400 -0.080 0.000 0.814 470 E CB -0.182 29.479 29.700 -0.067 0.000 0.752 470 E HN 0.696 nan 8.360 nan 0.000 0.466 471 M N 0.056 119.627 119.600 -0.049 0.000 2.132 471 M HA -0.104 4.306 4.480 -0.116 0.000 0.263 471 M C 2.175 178.472 176.300 -0.005 0.000 1.065 471 M CA 1.693 56.982 55.300 -0.019 0.000 1.122 471 M CB -0.052 32.548 32.600 0.000 0.000 1.365 471 M HN 0.182 nan 8.290 nan 0.000 0.411 472 A N 0.386 123.212 122.820 0.010 0.000 1.873 472 A HA -0.213 4.038 4.320 -0.116 0.000 0.215 472 A C 1.889 179.476 177.584 0.005 0.000 1.186 472 A CA 1.784 53.841 52.037 0.033 0.000 0.616 472 A CB -0.897 18.158 19.000 0.091 0.000 0.823 472 A HN 0.716 nan 8.150 nan 0.000 0.442 473 Q N -0.355 119.437 119.800 -0.012 0.000 2.248 473 Q HA -0.192 4.079 4.340 -0.116 0.000 0.208 473 Q C 1.701 177.675 176.000 -0.043 0.000 0.984 473 Q CA 1.477 57.264 55.803 -0.028 0.000 0.875 473 Q CB -0.203 28.511 28.738 -0.041 0.000 0.910 473 Q HN 0.607 nan 8.270 nan 0.000 0.433 474 N N -0.314 118.361 118.700 -0.041 0.000 2.220 474 N HA -0.082 4.588 4.740 -0.116 0.000 0.182 474 N C 1.866 177.346 175.510 -0.049 0.000 1.023 474 N CA 1.487 54.507 53.050 -0.050 0.000 0.856 474 N CB -0.204 38.257 38.487 -0.044 0.000 0.997 474 N HN 0.233 nan 8.380 nan 0.000 0.429 475 S N 0.061 115.744 115.700 -0.029 0.000 2.474 475 S HA -0.012 4.388 4.470 -0.116 0.000 0.235 475 S C 2.069 176.650 174.600 -0.032 0.000 0.997 475 S CA 0.540 58.726 58.200 -0.023 0.000 0.949 475 S CB -0.477 62.724 63.200 0.002 0.000 0.766 475 S HN -0.012 nan 8.310 nan 0.000 0.517 476 V N 2.370 122.264 119.914 -0.033 0.000 2.270 476 V HA -0.126 3.924 4.120 -0.116 0.000 0.245 476 V C 2.959 179.011 176.094 -0.071 0.000 1.043 476 V CA 2.159 64.435 62.300 -0.040 0.000 1.014 476 V CB -0.803 31.002 31.823 -0.029 0.000 0.645 476 V HN 0.558 nan 8.190 nan 0.000 0.447 477 R N -0.000 120.447 120.500 -0.088 0.000 2.096 477 R HA -0.099 4.171 4.340 -0.116 0.000 0.235 477 R C 2.037 178.203 176.300 -0.224 0.000 1.127 477 R CA 1.491 57.510 56.100 -0.134 0.000 0.968 477 R CB -0.279 29.949 30.300 -0.119 0.000 0.861 477 R HN 0.462 nan 8.270 nan 0.000 0.440 478 L N 1.056 122.173 121.223 -0.176 0.000 2.622 478 L HA -0.007 4.264 4.340 -0.116 0.000 0.233 478 L C 0.758 177.517 176.870 -0.185 0.000 1.156 478 L CA 0.360 55.078 54.840 -0.203 0.000 0.866 478 L CB -0.116 41.882 42.059 -0.102 0.000 0.980 478 L HN 0.197 nan 8.230 nan 0.000 0.448 479 N N -1.011 117.600 118.700 -0.148 0.000 2.238 479 N HA 0.078 4.748 4.740 -0.116 0.000 0.235 479 N C -0.428 175.129 175.510 0.079 0.000 1.209 479 N CA -0.184 52.861 53.050 -0.009 0.000 0.879 479 N CB 0.681 39.158 38.487 -0.016 0.000 1.136 479 N HN 0.128 nan 8.380 nan 0.000 0.517 480 Y N -0.683 119.585 120.300 -0.053 0.000 3.825 480 Y HA -0.270 4.210 4.550 -0.116 0.000 0.221 480 Y C 1.649 177.509 175.900 -0.066 0.000 1.195 480 Y CA 0.579 58.648 58.100 -0.051 0.000 1.699 480 Y CB -1.907 36.524 38.460 -0.047 0.000 1.531 480 Y HN 0.187 nan 8.280 nan 0.000 0.640 481 G N -0.396 108.411 108.800 0.012 0.000 2.551 481 G HA2 -0.055 3.835 3.960 -0.116 0.000 0.216 481 G HA3 -0.055 3.835 3.960 -0.116 0.000 0.216 481 G C 1.494 176.392 174.900 -0.005 0.000 1.137 481 G CA 0.719 45.812 45.100 -0.011 0.000 0.798 481 G HN 0.529 nan 8.290 nan 0.000 0.536 482 I N 1.450 122.014 120.570 -0.010 0.000 2.208 482 I HA -0.135 3.965 4.170 -0.116 0.000 0.245 482 I C -0.171 175.953 176.117 0.011 0.000 1.097 482 I CA 1.212 62.509 61.300 -0.005 0.000 1.363 482 I CB -0.678 37.311 38.000 -0.018 0.000 1.051 482 I HN 0.155 nan 8.210 nan 0.000 0.413 483 P HA -0.096 nan 4.420 nan 0.000 0.216 483 P C 1.485 178.795 177.300 0.017 0.000 1.153 483 P CA 1.603 64.721 63.100 0.030 0.000 0.844 483 P CB -0.004 31.728 31.700 0.053 0.000 0.787 484 A N 0.156 122.984 122.820 0.014 0.000 1.873 484 A HA -0.168 4.083 4.320 -0.116 0.000 0.215 484 A C 2.200 179.781 177.584 -0.004 0.000 1.186 484 A CA 1.844 53.882 52.037 0.001 0.000 0.616 484 A CB -1.741 17.255 19.000 -0.007 0.000 0.823 484 A HN 0.306 nan 8.150 nan 0.000 0.442 485 I N -2.312 118.255 120.570 -0.004 0.000 2.179 485 I HA -0.140 3.960 4.170 -0.116 0.000 0.242 485 I C 1.936 178.051 176.117 -0.002 0.000 1.088 485 I CA 1.695 62.992 61.300 -0.006 0.000 1.357 485 I CB -0.778 37.219 38.000 -0.006 0.000 1.051 485 I HN 0.022 nan 8.210 nan 0.000 0.409 486 V N 1.304 121.220 119.914 0.003 0.000 2.469 486 V HA -0.288 3.763 4.120 -0.116 0.000 0.251 486 V C 2.750 178.843 176.094 -0.001 0.000 1.064 486 V CA 2.301 64.605 62.300 0.006 0.000 1.066 486 V CB -1.036 30.795 31.823 0.013 0.000 0.667 486 V HN 0.497 nan 8.190 nan 0.000 0.461 487 K N -0.174 120.224 120.400 -0.004 0.000 2.209 487 K HA -0.119 4.132 4.320 -0.116 0.000 0.204 487 K C 1.898 178.484 176.600 -0.022 0.000 1.048 487 K CA 1.188 57.468 56.287 -0.011 0.000 0.940 487 K CB -0.159 32.335 32.500 -0.010 0.000 0.729 487 K HN 0.429 nan 8.250 nan 0.000 0.451 488 L N 0.863 122.073 121.223 -0.021 0.000 2.465 488 L HA -0.093 4.178 4.340 -0.116 0.000 0.224 488 L C 1.840 178.682 176.870 -0.047 0.000 1.145 488 L CA 0.284 55.105 54.840 -0.032 0.000 0.834 488 L CB -0.151 41.894 42.059 -0.022 0.000 0.944 488 L HN 0.222 nan 8.230 nan 0.000 0.451 489 L N -0.422 120.779 121.223 -0.037 0.000 2.201 489 L HA -0.160 4.111 4.340 -0.116 0.000 0.212 489 L C 1.200 178.016 176.870 -0.090 0.000 1.105 489 L CA 1.203 56.014 54.840 -0.048 0.000 0.775 489 L CB -0.327 41.723 42.059 -0.014 0.000 0.913 489 L HN 0.383 nan 8.230 nan 0.000 0.440 490 N N -0.973 117.682 118.700 -0.076 0.000 2.270 490 N HA -0.016 4.654 4.740 -0.116 0.000 0.198 490 N C 0.229 175.673 175.510 -0.110 0.000 1.117 490 N CA -0.218 52.779 53.050 -0.088 0.000 0.845 490 N CB 0.161 38.615 38.487 -0.054 0.000 0.980 490 N HN 0.103 nan 8.380 nan 0.000 0.486 491 Q N 1.528 121.255 119.800 -0.121 0.000 2.239 491 Q HA 0.041 4.312 4.340 -0.116 0.000 0.286 491 Q C -1.579 174.312 176.000 -0.181 0.000 1.102 491 Q CA -0.899 54.829 55.803 -0.126 0.000 0.936 491 Q CB 0.759 29.429 28.738 -0.114 0.000 1.127 491 Q HN 0.107 nan 8.270 nan 0.000 0.380 492 P HA -0.165 nan 4.420 nan 0.000 0.210 492 P C -0.620 176.566 177.300 -0.190 0.000 1.185 492 P CA 1.595 64.609 63.100 -0.144 0.000 0.924 492 P CB 0.266 31.912 31.700 -0.090 0.000 0.786 493 N N -1.461 117.153 118.700 -0.144 0.000 2.696 493 N HA 0.207 4.877 4.740 -0.116 0.000 0.308 493 N C -0.465 174.994 175.510 -0.085 0.000 1.915 493 N CA -0.113 52.868 53.050 -0.116 0.000 0.906 493 N CB 0.318 38.779 38.487 -0.045 0.000 1.284 493 N HN -0.063 nan 8.380 nan 0.000 0.488 494 Q N -0.035 119.664 119.800 -0.168 0.000 3.605 494 Q HA 0.204 4.474 4.340 -0.116 0.000 0.222 494 Q C -0.643 175.317 176.000 -0.067 0.000 0.915 494 Q CA -0.550 55.214 55.803 -0.066 0.000 0.731 494 Q CB -0.090 28.620 28.738 -0.046 0.000 1.423 494 Q HN 0.367 nan 8.270 nan 0.000 0.446 495 W N 2.162 123.480 121.300 0.030 0.000 2.358 495 W HA -0.022 4.568 4.660 -0.116 0.000 0.303 495 W C -0.753 175.781 176.519 0.025 0.000 1.208 495 W CA 1.170 58.532 57.345 0.028 0.000 1.274 495 W CB -0.532 28.946 29.460 0.030 0.000 1.138 495 W HN 0.554 nan 8.180 nan 0.000 0.515 496 P HA -0.229 nan 4.420 nan 0.000 0.217 496 P C 1.618 178.987 177.300 0.115 0.000 1.148 496 P CA 1.433 64.628 63.100 0.158 0.000 0.828 496 P CB -0.235 31.535 31.700 0.116 0.000 0.783 497 L N -1.308 119.966 121.223 0.085 0.000 2.162 497 L HA -0.035 4.236 4.340 -0.116 0.000 0.205 497 L C 2.063 178.960 176.870 0.045 0.000 1.086 497 L CA 1.548 56.413 54.840 0.043 0.000 0.778 497 L CB -0.967 41.097 42.059 0.008 0.000 0.928 497 L HN -0.221 nan 8.230 nan 0.000 0.446 498 V N 0.389 120.336 119.914 0.055 0.000 2.307 498 V HA -0.281 3.770 4.120 -0.116 0.000 0.245 498 V C 2.642 178.825 176.094 0.149 0.000 1.045 498 V CA 2.083 64.420 62.300 0.061 0.000 1.024 498 V CB -0.793 31.011 31.823 -0.031 0.000 0.651 498 V HN 0.570 nan 8.190 nan 0.000 0.449 499 K N 0.739 121.273 120.400 0.222 0.000 2.063 499 K HA -0.212 4.039 4.320 -0.116 0.000 0.208 499 K C 2.124 178.789 176.600 0.108 0.000 1.048 499 K CA 1.833 58.225 56.287 0.176 0.000 0.928 499 K CB -0.369 32.231 32.500 0.166 0.000 0.713 499 K HN 0.403 nan 8.250 nan 0.000 0.442 500 A N 0.456 123.328 122.820 0.086 0.000 1.930 500 A HA -0.099 4.152 4.320 -0.116 0.000 0.217 500 A C 2.139 179.744 177.584 0.035 0.000 1.175 500 A CA 2.019 54.085 52.037 0.049 0.000 0.627 500 A CB -0.832 18.185 19.000 0.028 0.000 0.815 500 A HN 0.472 nan 8.150 nan 0.000 0.443 501 T N 0.152 114.730 114.554 0.039 0.000 2.904 501 T HA 0.011 4.292 4.350 -0.116 0.000 0.267 501 T C 1.743 176.468 174.700 0.042 0.000 1.059 501 T CA 1.204 63.320 62.100 0.028 0.000 1.137 501 T CB -0.336 68.543 68.868 0.018 0.000 0.879 501 T HN 0.419 nan 8.240 nan 0.000 0.467 502 I N 1.296 121.905 120.570 0.065 0.000 2.286 502 I HA -0.104 3.997 4.170 -0.116 0.000 0.248 502 I C 2.830 178.985 176.117 0.063 0.000 1.115 502 I CA 1.217 62.561 61.300 0.074 0.000 1.392 502 I CB -0.578 37.484 38.000 0.103 0.000 1.065 502 I HN 0.305 nan 8.210 nan 0.000 0.418 503 G N 0.866 109.701 108.800 0.059 0.000 2.408 503 G HA2 -0.231 3.660 3.960 -0.116 0.000 0.217 503 G HA3 -0.231 3.660 3.960 -0.116 0.000 0.217 503 G C 1.628 176.554 174.900 0.044 0.000 1.150 503 G CA 0.356 45.488 45.100 0.053 0.000 0.776 503 G HN 0.254 nan 8.290 nan 0.000 0.542 504 L N 0.687 121.930 121.223 0.033 0.000 2.093 504 L HA 0.175 4.446 4.340 -0.116 0.000 0.208 504 L C 2.538 179.423 176.870 0.026 0.000 1.085 504 L CA 1.209 56.062 54.840 0.022 0.000 0.755 504 L CB -0.330 41.732 42.059 0.005 0.000 0.904 504 L HN 0.242 nan 8.230 nan 0.000 0.435 505 I N -0.799 119.791 120.570 0.033 0.000 2.394 505 I HA -0.242 3.859 4.170 -0.116 0.000 0.251 505 I C 2.687 178.831 176.117 0.046 0.000 1.136 505 I CA 1.000 62.322 61.300 0.037 0.000 1.425 505 I CB -0.355 37.671 38.000 0.044 0.000 1.079 505 I HN 0.307 nan 8.210 nan 0.000 0.425 506 R N 1.141 121.672 120.500 0.051 0.000 2.066 506 R HA -0.170 4.100 4.340 -0.116 0.000 0.232 506 R C 2.073 178.404 176.300 0.053 0.000 1.131 506 R CA 1.718 57.852 56.100 0.058 0.000 0.955 506 R CB -0.127 30.206 30.300 0.054 0.000 0.851 506 R HN 0.328 nan 8.270 nan 0.000 0.432 507 N N 0.937 119.663 118.700 0.043 0.000 2.084 507 N HA -0.148 4.523 4.740 -0.116 0.000 0.190 507 N C 1.905 177.425 175.510 0.016 0.000 1.030 507 N CA 1.206 54.277 53.050 0.034 0.000 0.849 507 N CB -0.336 38.174 38.487 0.038 0.000 1.012 507 N HN 0.245 nan 8.380 nan 0.000 0.423 508 L N 0.548 121.777 121.223 0.010 0.000 2.131 508 L HA -0.087 4.184 4.340 -0.116 0.000 0.210 508 L C 2.183 179.033 176.870 -0.032 0.000 1.092 508 L CA 0.986 55.818 54.840 -0.014 0.000 0.759 508 L CB -0.453 41.600 42.059 -0.010 0.000 0.903 508 L HN 0.123 nan 8.230 nan 0.000 0.435 509 A N -0.200 122.628 122.820 0.013 0.000 2.121 509 A HA -0.066 4.185 4.320 -0.116 0.000 0.218 509 A C 2.232 179.837 177.584 0.034 0.000 1.154 509 A CA 0.859 52.926 52.037 0.050 0.000 0.679 509 A CB -0.456 18.621 19.000 0.129 0.000 0.795 509 A HN 0.365 nan 8.150 nan 0.000 0.458 510 L N -0.803 120.429 121.223 0.016 0.000 2.046 510 L HA -0.139 4.132 4.340 -0.116 0.000 0.208 510 L C 1.646 178.484 176.870 -0.053 0.000 1.077 510 L CA 0.497 55.348 54.840 0.018 0.000 0.747 510 L CB -0.639 41.430 42.059 0.017 0.000 0.896 510 L HN 0.528 nan 8.230 nan 0.000 0.432 511 C N 2.203 121.436 119.300 -0.112 0.000 2.619 511 C HA 0.152 4.542 4.460 -0.116 0.000 0.389 511 C C -0.635 174.143 174.990 -0.353 0.000 1.314 511 C CA -1.613 57.309 59.018 -0.161 0.000 1.678 511 C CB 0.133 27.798 27.740 -0.124 0.000 2.398 511 C HN 0.138 nan 8.230 nan 0.000 0.582 512 P HA -0.053 nan 4.420 nan 0.000 0.221 512 P C 1.248 178.358 177.300 -0.317 0.000 1.145 512 P CA 1.694 64.540 63.100 -0.424 0.000 0.795 512 P CB 0.046 31.729 31.700 -0.030 0.000 0.775 513 A N -0.901 121.800 122.820 -0.199 0.000 2.209 513 A HA -0.073 4.178 4.320 -0.116 0.000 0.212 513 A C 1.815 179.320 177.584 -0.132 0.000 1.158 513 A CA 1.064 53.030 52.037 -0.118 0.000 0.742 513 A CB -0.913 18.036 19.000 -0.085 0.000 0.790 513 A HN 0.102 nan 8.150 nan 0.000 0.472 514 N N -0.849 117.719 118.700 -0.220 0.000 2.299 514 N HA 0.055 4.726 4.740 -0.116 0.000 0.187 514 N C 0.988 176.446 175.510 -0.087 0.000 1.099 514 N CA 0.390 53.349 53.050 -0.152 0.000 0.867 514 N CB -0.336 38.063 38.487 -0.147 0.000 0.974 514 N HN 0.733 nan 8.380 nan 0.000 0.477 515 H N 0.024 119.089 119.070 -0.008 0.000 2.387 515 H HA 0.025 4.512 4.556 -0.115 0.000 0.299 515 H C 1.909 177.236 175.328 -0.002 0.000 1.090 515 H CA 1.367 57.413 56.048 -0.003 0.000 1.332 515 H CB 0.363 30.123 29.762 -0.004 0.000 1.386 515 H HN 0.210 nan 8.280 nan 0.000 0.516 516 A N 1.251 124.134 122.820 0.105 0.000 1.840 516 A HA -0.045 4.205 4.320 -0.116 0.000 0.214 516 A C -0.213 177.393 177.584 0.036 0.000 1.198 516 A CA 0.930 53.002 52.037 0.059 0.000 0.608 516 A CB -1.205 17.816 19.000 0.036 0.000 0.839 516 A HN 0.265 nan 8.150 nan 0.000 0.443 517 P HA -0.093 nan 4.420 nan 0.000 0.220 517 P C 1.367 178.678 177.300 0.018 0.000 1.148 517 P CA 0.795 63.898 63.100 0.005 0.000 0.803 517 P CB -0.078 31.606 31.700 -0.026 0.000 0.782 518 L N -0.774 120.466 121.223 0.029 0.000 2.068 518 L HA -0.125 4.146 4.340 -0.116 0.000 0.204 518 L C 2.835 179.732 176.870 0.046 0.000 1.076 518 L CA 1.324 56.188 54.840 0.040 0.000 0.753 518 L CB -0.942 41.152 42.059 0.057 0.000 0.910 518 L HN -0.005 nan 8.230 nan 0.000 0.439 519 Q N 0.563 120.395 119.800 0.054 0.000 2.096 519 Q HA -0.303 3.968 4.340 -0.116 0.000 0.204 519 Q C 2.057 178.078 176.000 0.035 0.000 0.982 519 Q CA 2.131 57.961 55.803 0.045 0.000 0.850 519 Q CB -0.040 28.726 28.738 0.046 0.000 0.901 519 Q HN 0.500 nan 8.270 nan 0.000 0.422 520 E N -0.441 119.779 120.200 0.033 0.000 2.072 520 E HA -0.155 4.126 4.350 -0.116 0.000 0.191 520 E C 1.501 178.118 176.600 0.027 0.000 0.985 520 E CA 0.951 57.368 56.400 0.028 0.000 0.801 520 E CB -0.147 29.569 29.700 0.028 0.000 0.750 520 E HN 0.471 nan 8.360 nan 0.000 0.452 521 A N 0.361 123.198 122.820 0.028 0.000 2.239 521 A HA 0.325 4.576 4.320 -0.116 0.000 0.209 521 A C 1.141 178.740 177.584 0.024 0.000 1.171 521 A CA 0.890 52.942 52.037 0.025 0.000 0.768 521 A CB -0.525 18.489 19.000 0.024 0.000 0.790 521 A HN 0.519 nan 8.150 nan 0.000 0.478 522 A N -1.751 121.085 122.820 0.027 0.000 2.667 522 A HA -0.136 4.115 4.320 -0.116 0.000 0.298 522 A C 1.167 178.769 177.584 0.029 0.000 1.483 522 A CA 0.740 52.793 52.037 0.027 0.000 0.738 522 A CB -2.463 16.550 19.000 0.021 0.000 1.067 522 A HN 0.887 nan 8.150 nan 0.000 0.451 523 V N 0.115 120.050 119.914 0.035 0.000 2.379 523 V HA -0.255 3.796 4.120 -0.116 0.000 0.245 523 V C 2.426 178.548 176.094 0.046 0.000 1.044 523 V CA 2.147 64.471 62.300 0.040 0.000 1.036 523 V CB -0.600 31.251 31.823 0.045 0.000 0.664 523 V HN 0.796 nan 8.190 nan 0.000 0.453 524 I N 0.326 120.925 120.570 0.049 0.000 2.127 524 I HA -0.191 3.910 4.170 -0.116 0.000 0.241 524 I C -0.087 176.062 176.117 0.053 0.000 1.075 524 I CA 1.928 63.263 61.300 0.057 0.000 1.334 524 I CB -1.603 36.430 38.000 0.056 0.000 1.040 524 I HN 0.358 nan 8.210 nan 0.000 0.405 525 P HA -0.132 nan 4.420 nan 0.000 0.216 525 P C 1.412 178.732 177.300 0.033 0.000 1.150 525 P CA 1.501 64.619 63.100 0.031 0.000 0.837 525 P CB -0.098 31.615 31.700 0.022 0.000 0.786 526 R N -0.898 119.622 120.500 0.034 0.000 2.092 526 R HA -0.000 4.271 4.340 -0.116 0.000 0.231 526 R C 2.365 178.695 176.300 0.049 0.000 1.119 526 R CA 0.966 57.085 56.100 0.032 0.000 0.970 526 R CB -1.035 29.278 30.300 0.023 0.000 0.864 526 R HN 0.239 nan 8.270 nan 0.000 0.440 527 L N 0.277 121.537 121.223 0.061 0.000 1.994 527 L HA -0.175 4.096 4.340 -0.116 0.000 0.208 527 L C 2.394 179.319 176.870 0.092 0.000 1.071 527 L CA 1.119 56.009 54.840 0.083 0.000 0.745 527 L CB -0.474 41.638 42.059 0.089 0.000 0.892 527 L HN 0.013 nan 8.230 nan 0.000 0.431 528 V N -0.340 119.621 119.914 0.078 0.000 2.392 528 V HA -0.353 3.698 4.120 -0.116 0.000 0.249 528 V C 2.440 178.566 176.094 0.053 0.000 1.059 528 V CA 1.955 64.292 62.300 0.062 0.000 1.051 528 V CB -0.615 31.228 31.823 0.034 0.000 0.658 528 V HN 0.548 nan 8.190 nan 0.000 0.455 529 Q N -0.274 119.558 119.800 0.053 0.000 2.050 529 Q HA -0.182 4.089 4.340 -0.116 0.000 0.202 529 Q C 2.308 178.363 176.000 0.092 0.000 0.980 529 Q CA 1.757 57.594 55.803 0.056 0.000 0.840 529 Q CB -0.140 28.623 28.738 0.041 0.000 0.898 529 Q HN 0.611 nan 8.270 nan 0.000 0.424 530 L N 0.549 121.840 121.223 0.113 0.000 2.042 530 L HA -0.229 4.042 4.340 -0.116 0.000 0.210 530 L C 2.530 179.514 176.870 0.190 0.000 1.076 530 L CA 0.657 55.609 54.840 0.187 0.000 0.749 530 L CB -0.606 41.574 42.059 0.202 0.000 0.893 530 L HN 0.351 nan 8.230 nan 0.000 0.432 531 L N 0.420 121.729 121.223 0.143 0.000 1.961 531 L HA -0.158 4.113 4.340 -0.116 0.000 0.210 531 L C 2.633 179.576 176.870 0.121 0.000 1.072 531 L CA 2.246 57.164 54.840 0.130 0.000 0.749 531 L CB -0.774 41.352 42.059 0.112 0.000 0.889 531 L HN 0.166 nan 8.230 nan 0.000 0.432 532 V N -1.720 118.240 119.914 0.077 0.000 2.453 532 V HA -0.316 3.735 4.120 -0.116 0.000 0.252 532 V C 2.565 178.732 176.094 0.122 0.000 1.068 532 V CA 2.378 64.723 62.300 0.074 0.000 1.070 532 V CB -1.253 30.585 31.823 0.025 0.000 0.664 532 V HN 0.660 nan 8.190 nan 0.000 0.461 533 K N 0.915 121.391 120.400 0.127 0.000 2.001 533 K HA -0.001 4.249 4.320 -0.116 0.000 0.208 533 K C 2.324 179.011 176.600 0.144 0.000 1.048 533 K CA 1.520 57.892 56.287 0.142 0.000 0.932 533 K CB -0.568 32.037 32.500 0.176 0.000 0.715 533 K HN 0.533 nan 8.250 nan 0.000 0.437 534 A N 0.310 123.222 122.820 0.153 0.000 1.933 534 A HA -0.220 4.030 4.320 -0.116 0.000 0.218 534 A C 1.947 179.571 177.584 0.068 0.000 1.175 534 A CA 1.976 54.053 52.037 0.068 0.000 0.628 534 A CB -0.889 18.131 19.000 0.034 0.000 0.814 534 A HN 0.621 nan 8.150 nan 0.000 0.444 535 H N 0.346 119.433 119.070 0.030 0.000 2.326 535 H HA -0.161 4.326 4.556 -0.116 0.000 0.301 535 H C 2.260 177.602 175.328 0.024 0.000 1.081 535 H CA 2.139 58.201 56.048 0.023 0.000 1.334 535 H CB -0.208 29.569 29.762 0.024 0.000 1.385 535 H HN 0.688 nan 8.280 nan 0.000 0.504 536 Q N -0.083 119.733 119.800 0.026 0.000 2.167 536 Q HA -0.126 4.145 4.340 -0.116 0.000 0.202 536 Q C 1.331 177.311 176.000 -0.033 0.000 0.970 536 Q CA 1.677 57.462 55.803 -0.029 0.000 0.855 536 Q CB 0.058 28.823 28.738 0.046 0.000 0.911 536 Q HN 0.390 nan 8.270 nan 0.000 0.438 537 D N 1.293 121.707 120.400 0.022 0.000 2.097 537 D HA -0.094 4.477 4.640 -0.116 0.000 0.197 537 D C 2.007 178.368 176.300 0.101 0.000 0.984 537 D CA 1.681 55.735 54.000 0.090 0.000 0.826 537 D CB -0.415 40.440 40.800 0.092 0.000 0.973 537 D HN 0.443 nan 8.370 nan 0.000 0.460 538 A N 0.779 123.587 122.820 -0.020 0.000 1.883 538 A HA -0.261 3.989 4.320 -0.116 0.000 0.217 538 A C 2.116 179.659 177.584 -0.069 0.000 1.186 538 A CA 1.684 53.689 52.037 -0.052 0.000 0.624 538 A CB -0.745 18.195 19.000 -0.100 0.000 0.822 538 A HN 0.234 nan 8.150 nan 0.000 0.444 539 Q N -1.037 118.658 119.800 -0.175 0.000 2.170 539 Q HA -0.155 4.116 4.340 -0.116 0.000 0.203 539 Q C 2.421 178.369 176.000 -0.088 0.000 0.976 539 Q CA 1.243 56.947 55.803 -0.163 0.000 0.858 539 Q CB -0.141 28.450 28.738 -0.246 0.000 0.907 539 Q HN 0.601 nan 8.270 nan 0.000 0.433 540 R N -0.353 120.103 120.500 -0.074 0.000 2.070 540 R HA -0.137 4.134 4.340 -0.116 0.000 0.232 540 R C 1.862 178.074 176.300 -0.146 0.000 1.138 540 R CA 1.587 57.612 56.100 -0.125 0.000 0.936 540 R CB -0.268 29.919 30.300 -0.188 0.000 0.839 540 R HN 0.402 nan 8.270 nan 0.000 0.429 541 H N -0.502 118.538 119.070 -0.050 0.000 2.524 541 H HA -0.063 4.424 4.556 -0.115 0.000 0.282 541 H C 1.916 177.218 175.328 -0.043 0.000 1.016 541 H CA 1.192 57.214 56.048 -0.043 0.000 1.270 541 H CB 0.119 29.853 29.762 -0.046 0.000 1.394 541 H HN 0.140 nan 8.280 nan 0.000 0.568 542 V N -2.561 117.380 119.914 0.046 0.000 2.788 542 V HA 0.107 4.157 4.120 -0.116 0.000 0.251 542 V C 2.178 178.268 176.094 -0.008 0.000 1.068 542 V CA 1.199 63.505 62.300 0.011 0.000 1.090 542 V CB -0.600 31.218 31.823 -0.008 0.000 0.710 542 V HN 0.368 nan 8.190 nan 0.000 0.467 543 A N 0.037 122.841 122.820 -0.026 0.000 2.169 543 A HA 0.618 4.869 4.320 -0.116 0.000 0.212 543 A C 2.111 179.674 177.584 -0.035 0.000 1.153 543 A CA 1.175 53.192 52.037 -0.034 0.000 0.756 543 A CB -0.337 18.636 19.000 -0.046 0.000 0.813 543 A HN 0.949 nan 8.150 nan 0.000 0.471 544 A N -2.069 120.729 122.820 -0.037 0.000 2.382 544 A HA 0.464 4.715 4.320 -0.116 0.000 0.228 544 A C 1.636 179.218 177.584 -0.004 0.000 1.217 544 A CA 0.965 52.981 52.037 -0.035 0.000 0.923 544 A CB -0.513 18.439 19.000 -0.079 0.000 0.979 544 A HN 1.657 nan 8.150 nan 0.000 0.515 545 G N 0.860 109.666 108.800 0.010 0.000 2.258 545 G HA2 -0.274 3.616 3.960 -0.116 0.000 0.274 545 G HA3 -0.274 3.616 3.960 -0.116 0.000 0.274 545 G C 0.509 175.428 174.900 0.031 0.000 1.021 545 G CA 1.281 46.392 45.100 0.017 0.000 0.798 545 G HN 1.427 nan 8.290 nan 0.000 0.507 546 T N -3.328 111.268 114.554 0.070 0.000 2.922 546 T HA 0.723 5.003 4.350 -0.116 0.000 0.281 546 T C -0.113 174.648 174.700 0.101 0.000 1.005 546 T CA -0.632 61.527 62.100 0.099 0.000 0.982 546 T CB 1.840 70.802 68.868 0.157 0.000 1.158 546 T HN 0.298 nan 8.240 nan 0.000 0.566 547 Q N 0.698 120.518 119.800 0.032 0.000 2.293 547 Q HA 0.327 4.597 4.340 -0.116 0.000 0.261 547 Q C -0.778 175.055 176.000 -0.278 0.000 0.960 547 Q CA -0.666 55.073 55.803 -0.107 0.000 0.882 547 Q CB 1.773 30.455 28.738 -0.094 0.000 1.275 547 Q HN 0.571 nan 8.270 nan 0.000 0.445 548 Q N 3.240 122.705 119.800 -0.559 0.000 2.244 548 Q HA 0.092 4.363 4.340 -0.116 0.000 0.276 548 Q C -2.171 173.650 176.000 -0.298 0.000 1.122 548 Q CA -0.875 54.506 55.803 -0.704 0.000 0.920 548 Q CB -0.279 28.088 28.738 -0.617 0.000 1.186 548 Q HN 0.271 nan 8.270 nan 0.000 0.393 549 P HA 0.069 nan 4.420 nan 0.000 0.276 549 P C -1.101 176.160 177.300 -0.064 0.000 1.244 549 P CA -0.478 62.478 63.100 -0.239 0.000 0.801 549 P CB 0.437 31.961 31.700 -0.293 0.000 1.006 550 Y N -2.671 117.648 120.300 0.032 0.000 4.177 550 Y HA -0.213 4.267 4.550 -0.116 0.000 0.227 550 Y C 0.506 176.483 175.900 0.127 0.000 1.154 550 Y CA 1.039 59.184 58.100 0.075 0.000 1.887 550 Y CB -2.919 35.595 38.460 0.090 0.000 1.594 550 Y HN 0.315 nan 8.280 nan 0.000 0.668 551 T N 0.681 115.314 114.554 0.132 0.000 2.809 551 T HA 0.363 4.643 4.350 -0.116 0.000 0.296 551 T C -0.197 174.544 174.700 0.068 0.000 1.015 551 T CA -0.814 61.356 62.100 0.116 0.000 0.954 551 T CB 0.380 69.169 68.868 -0.131 0.000 0.950 551 T HN 0.105 nan 8.240 nan 0.000 0.450 552 D N 4.055 124.535 120.400 0.132 0.000 2.598 552 D HA 0.286 4.856 4.640 -0.116 0.000 0.231 552 D C 1.605 177.936 176.300 0.053 0.000 1.127 552 D CA 1.096 55.148 54.000 0.087 0.000 1.126 552 D CB -0.383 40.481 40.800 0.107 0.000 1.124 552 D HN 1.014 nan 8.370 nan 0.000 0.485 553 G N 0.160 108.967 108.800 0.011 0.000 2.234 553 G HA2 -0.303 3.588 3.960 -0.116 0.000 0.260 553 G HA3 -0.303 3.588 3.960 -0.116 0.000 0.260 553 G C 0.506 175.394 174.900 -0.021 0.000 0.987 553 G CA 0.122 45.219 45.100 -0.005 0.000 0.625 553 G HN 0.451 nan 8.290 nan 0.000 0.532 554 V N 1.769 121.670 119.914 -0.022 0.000 2.530 554 V HA 0.502 4.553 4.120 -0.116 0.000 0.282 554 V C 0.913 176.900 176.094 -0.177 0.000 1.048 554 V CA -0.272 61.989 62.300 -0.064 0.000 0.997 554 V CB 1.286 33.105 31.823 -0.006 0.000 0.987 554 V HN 0.388 nan 8.190 nan 0.000 0.477 555 R N 4.180 124.583 120.500 -0.163 0.000 2.407 555 R HA 0.393 4.664 4.340 -0.116 0.000 0.303 555 R C 0.693 176.847 176.300 -0.245 0.000 0.981 555 R CA -0.918 55.067 56.100 -0.192 0.000 0.905 555 R CB 1.150 31.381 30.300 -0.116 0.000 1.099 555 R HN 0.523 nan 8.270 nan 0.000 0.459 556 M N 1.645 121.068 119.600 -0.295 0.000 2.346 556 M HA -0.130 4.280 4.480 -0.116 0.000 0.263 556 M C 1.086 177.301 176.300 -0.142 0.000 1.064 556 M CA 1.623 56.747 55.300 -0.292 0.000 1.083 556 M CB -0.598 31.852 32.600 -0.250 0.000 1.399 556 M HN 0.552 nan 8.290 nan 0.000 0.435 557 E N 0.273 120.415 120.200 -0.097 0.000 2.031 557 E HA -0.153 4.128 4.350 -0.116 0.000 0.193 557 E C 1.923 178.511 176.600 -0.020 0.000 0.994 557 E CA 1.258 57.639 56.400 -0.032 0.000 0.800 557 E CB -0.316 29.369 29.700 -0.024 0.000 0.752 557 E HN 0.536 nan 8.360 nan 0.000 0.447 558 E N 0.094 120.269 120.200 -0.042 0.000 2.114 558 E HA -0.215 4.066 4.350 -0.116 0.000 0.199 558 E C 1.886 178.487 176.600 0.002 0.000 1.008 558 E CA 0.988 57.377 56.400 -0.018 0.000 0.810 558 E CB -0.124 29.559 29.700 -0.027 0.000 0.739 558 E HN 0.212 nan 8.360 nan 0.000 0.456 559 I N 0.470 121.022 120.570 -0.029 0.000 2.315 559 I HA -0.185 3.916 4.170 -0.116 0.000 0.248 559 I C 2.405 178.563 176.117 0.068 0.000 1.117 559 I CA 0.859 62.173 61.300 0.023 0.000 1.404 559 I CB -1.043 36.920 38.000 -0.062 0.000 1.071 559 I HN 0.016 nan 8.210 nan 0.000 0.419 560 V N 1.102 121.051 119.914 0.058 0.000 2.261 560 V HA -0.289 3.762 4.120 -0.116 0.000 0.246 560 V C 2.626 178.776 176.094 0.094 0.000 1.047 560 V CA 2.125 64.485 62.300 0.101 0.000 1.015 560 V CB -0.671 31.228 31.823 0.127 0.000 0.642 560 V HN 0.471 nan 8.190 nan 0.000 0.446 561 E N 0.387 120.627 120.200 0.066 0.000 2.049 561 E HA -0.245 4.036 4.350 -0.116 0.000 0.198 561 E C 2.258 178.885 176.600 0.045 0.000 1.007 561 E CA 1.850 58.279 56.400 0.047 0.000 0.809 561 E CB -0.628 29.091 29.700 0.031 0.000 0.749 561 E HN 0.546 nan 8.360 nan 0.000 0.450 562 G N 0.496 109.329 108.800 0.055 0.000 2.476 562 G HA2 -0.323 3.568 3.960 -0.116 0.000 0.218 562 G HA3 -0.323 3.568 3.960 -0.116 0.000 0.218 562 G C 1.774 176.720 174.900 0.076 0.000 1.164 562 G CA 1.058 46.196 45.100 0.063 0.000 0.768 562 G HN 0.440 nan 8.290 nan 0.000 0.560 563 C N 0.422 119.781 119.300 0.099 0.000 2.446 563 C HA 0.017 4.407 4.460 -0.116 0.000 0.277 563 C C 3.268 178.328 174.990 0.116 0.000 1.275 563 C CA 1.562 60.649 59.018 0.116 0.000 1.727 563 C CB -0.929 26.895 27.740 0.140 0.000 2.010 563 C HN 0.462 nan 8.230 nan 0.000 0.486 564 T N 0.247 114.868 114.554 0.112 0.000 2.867 564 T HA -0.035 4.246 4.350 -0.116 0.000 0.268 564 T C 1.937 176.632 174.700 -0.009 0.000 1.057 564 T CA 1.583 63.724 62.100 0.067 0.000 1.136 564 T CB -0.471 68.431 68.868 0.057 0.000 0.874 564 T HN 0.684 nan 8.240 nan 0.000 0.466 565 G N 0.986 109.789 108.800 0.004 0.000 2.403 565 G HA2 0.051 3.941 3.960 -0.116 0.000 0.216 565 G HA3 0.051 3.941 3.960 -0.116 0.000 0.216 565 G C 1.787 176.714 174.900 0.045 0.000 1.154 565 G CA 0.747 45.835 45.100 -0.020 0.000 0.784 565 G HN 0.563 nan 8.290 nan 0.000 0.538 566 A N 0.742 123.597 122.820 0.058 0.000 1.873 566 A HA 0.140 4.391 4.320 -0.116 0.000 0.215 566 A C 2.405 180.034 177.584 0.074 0.000 1.186 566 A CA 1.121 53.202 52.037 0.073 0.000 0.616 566 A CB -0.430 18.614 19.000 0.074 0.000 0.823 566 A HN 0.326 nan 8.150 nan 0.000 0.442 567 L N -1.258 120.005 121.223 0.066 0.000 2.079 567 L HA -0.238 4.033 4.340 -0.116 0.000 0.210 567 L C 2.581 179.442 176.870 -0.014 0.000 1.081 567 L CA 1.848 56.715 54.840 0.044 0.000 0.752 567 L CB -0.818 41.290 42.059 0.082 0.000 0.896 567 L HN 0.702 nan 8.230 nan 0.000 0.433 568 H N 0.387 119.375 119.070 -0.136 0.000 2.289 568 H HA -0.218 4.269 4.556 -0.116 0.000 0.296 568 H C 2.182 177.444 175.328 -0.111 0.000 1.091 568 H CA 2.209 58.146 56.048 -0.185 0.000 1.274 568 H CB 0.193 29.824 29.762 -0.218 0.000 1.364 568 H HN 0.067 nan 8.280 nan 0.000 0.490 569 I N 0.471 121.102 120.570 0.101 0.000 2.133 569 I HA -0.231 3.869 4.170 -0.116 0.000 0.238 569 I C 2.627 178.748 176.117 0.006 0.000 1.074 569 I CA 1.083 62.431 61.300 0.080 0.000 1.342 569 I CB -1.396 36.693 38.000 0.147 0.000 1.053 569 I HN 0.369 nan 8.210 nan 0.000 0.404 570 L N 1.020 122.260 121.223 0.029 0.000 2.137 570 L HA -0.207 4.064 4.340 -0.116 0.000 0.213 570 L C 2.443 179.230 176.870 -0.140 0.000 1.085 570 L CA 1.414 56.248 54.840 -0.009 0.000 0.760 570 L CB -0.699 41.383 42.059 0.037 0.000 0.893 570 L HN 0.243 nan 8.230 nan 0.000 0.434 571 A N -0.526 122.214 122.820 -0.132 0.000 2.239 571 A HA -0.078 4.173 4.320 -0.116 0.000 0.209 571 A C 2.205 179.671 177.584 -0.196 0.000 1.171 571 A CA 0.547 52.493 52.037 -0.152 0.000 0.768 571 A CB -0.485 18.424 19.000 -0.151 0.000 0.790 571 A HN 0.335 nan 8.150 nan 0.000 0.478 572 R N 0.005 120.366 120.500 -0.232 0.000 2.189 572 R HA -0.041 4.230 4.340 -0.116 0.000 0.223 572 R C 0.205 176.354 176.300 -0.252 0.000 1.092 572 R CA 0.800 56.775 56.100 -0.209 0.000 0.989 572 R CB 0.040 30.259 30.300 -0.134 0.000 0.876 572 R HN 0.480 nan 8.270 nan 0.000 0.457 573 D N -0.213 119.958 120.400 -0.382 0.000 2.225 573 D HA 0.079 4.650 4.640 -0.116 0.000 0.248 573 D C -1.942 174.262 176.300 -0.160 0.000 1.096 573 D CA -2.387 51.426 54.000 -0.312 0.000 0.863 573 D CB 1.892 42.425 40.800 -0.446 0.000 1.156 573 D HN -0.196 nan 8.370 nan 0.000 0.450 574 P HA -0.117 nan 4.420 nan 0.000 0.215 574 P C 1.494 178.766 177.300 -0.047 0.000 1.157 574 P CA 0.917 63.977 63.100 -0.067 0.000 0.863 574 P CB 0.141 31.811 31.700 -0.049 0.000 0.787 575 M N -0.212 119.365 119.600 -0.038 0.000 2.108 575 M HA -0.147 4.264 4.480 -0.116 0.000 0.261 575 M C 1.238 177.533 176.300 -0.009 0.000 1.066 575 M CA 1.844 57.135 55.300 -0.015 0.000 1.107 575 M CB -1.311 31.286 32.600 -0.005 0.000 1.356 575 M HN -0.189 nan 8.290 nan 0.000 0.406 576 N N -0.586 118.094 118.700 -0.034 0.000 2.396 576 N HA -0.026 4.645 4.740 -0.116 0.000 0.180 576 N C 1.628 177.138 175.510 0.000 0.000 1.028 576 N CA 0.790 53.828 53.050 -0.021 0.000 0.893 576 N CB -0.269 38.183 38.487 -0.060 0.000 0.967 576 N HN 0.429 nan 8.380 nan 0.000 0.440 577 R N 0.001 120.491 120.500 -0.016 0.000 2.066 577 R HA 0.046 4.317 4.340 -0.116 0.000 0.232 577 R C 1.816 178.163 176.300 0.079 0.000 1.131 577 R CA 1.040 57.147 56.100 0.011 0.000 0.955 577 R CB -0.151 30.129 30.300 -0.033 0.000 0.851 577 R HN 0.176 nan 8.270 nan 0.000 0.432 578 M N 0.793 120.431 119.600 0.062 0.000 2.080 578 M HA -0.152 4.258 4.480 -0.116 0.000 0.260 578 M C 1.992 178.389 176.300 0.162 0.000 1.068 578 M CA 1.517 56.893 55.300 0.128 0.000 1.109 578 M CB -0.920 31.726 32.600 0.075 0.000 1.342 578 M HN 0.114 nan 8.290 nan 0.000 0.405 579 E N 0.590 120.847 120.200 0.096 0.000 2.048 579 E HA -0.209 4.071 4.350 -0.116 0.000 0.202 579 E C 2.100 178.756 176.600 0.093 0.000 1.021 579 E CA 1.580 58.027 56.400 0.078 0.000 0.825 579 E CB -0.393 29.340 29.700 0.055 0.000 0.756 579 E HN 0.536 nan 8.360 nan 0.000 0.454 580 I N 0.194 120.835 120.570 0.118 0.000 2.361 580 I HA -0.248 3.853 4.170 -0.116 0.000 0.251 580 I C 2.382 178.600 176.117 0.169 0.000 1.133 580 I CA 0.788 62.177 61.300 0.149 0.000 1.413 580 I CB -0.296 37.816 38.000 0.187 0.000 1.073 580 I HN 0.039 nan 8.210 nan 0.000 0.424 581 F N 2.050 122.025 119.950 0.042 0.000 2.098 581 F HA -0.076 4.381 4.527 -0.116 0.000 0.294 581 F C 2.578 178.384 175.800 0.009 0.000 1.107 581 F CA 1.333 59.351 58.000 0.030 0.000 1.234 581 F CB -0.240 38.774 39.000 0.023 0.000 1.002 581 F HN -0.173 nan 8.300 nan 0.000 0.472 582 R N 0.788 121.260 120.500 -0.047 0.000 2.241 582 R HA -0.036 4.235 4.340 -0.116 0.000 0.224 582 R C 1.973 178.173 176.300 -0.165 0.000 1.101 582 R CA 0.770 56.777 56.100 -0.155 0.000 0.995 582 R CB -1.082 29.224 30.300 0.010 0.000 0.870 582 R HN 0.406 nan 8.270 nan 0.000 0.463 583 L N 0.775 121.929 121.223 -0.115 0.000 2.599 583 L HA 0.027 4.298 4.340 -0.116 0.000 0.230 583 L C 0.166 176.942 176.870 -0.156 0.000 1.141 583 L CA -0.116 54.663 54.840 -0.101 0.000 0.877 583 L CB -0.581 41.448 42.059 -0.049 0.000 1.009 583 L HN 0.198 nan 8.230 nan 0.000 0.447 584 N N 0.791 119.349 118.700 -0.237 0.000 2.714 584 N HA -0.196 4.475 4.740 -0.116 0.000 0.253 584 N C 0.864 176.233 175.510 -0.236 0.000 1.024 584 N CA 0.947 53.847 53.050 -0.250 0.000 0.726 584 N CB -0.787 37.579 38.487 -0.201 0.000 0.908 584 N HN 0.475 nan 8.380 nan 0.000 0.542 585 T N -3.396 110.997 114.554 -0.267 0.000 3.069 585 T HA 0.254 4.534 4.350 -0.116 0.000 0.252 585 T C 2.002 176.324 174.700 -0.631 0.000 1.053 585 T CA 0.287 62.086 62.100 -0.502 0.000 0.964 585 T CB -0.043 68.478 68.868 -0.579 0.000 1.005 585 T HN 0.347 nan 8.240 nan 0.000 0.532 586 I N 1.972 122.406 120.570 -0.225 0.000 2.179 586 I HA -0.048 4.053 4.170 -0.116 0.000 0.242 586 I C -0.653 175.433 176.117 -0.052 0.000 1.088 586 I CA 1.136 62.428 61.300 -0.014 0.000 1.357 586 I CB -1.253 36.804 38.000 0.094 0.000 1.051 586 I HN 0.201 nan 8.210 nan 0.000 0.409 587 P HA -0.164 nan 4.420 nan 0.000 0.220 587 P C 1.735 178.973 177.300 -0.104 0.000 1.148 587 P CA 1.095 64.153 63.100 -0.071 0.000 0.803 587 P CB 0.042 31.691 31.700 -0.085 0.000 0.782 588 L N -2.008 119.073 121.223 -0.237 0.000 2.131 588 L HA 0.037 4.307 4.340 -0.116 0.000 0.206 588 L C 1.930 178.712 176.870 -0.147 0.000 1.087 588 L CA 1.700 56.365 54.840 -0.292 0.000 0.767 588 L CB -1.265 40.523 42.059 -0.453 0.000 0.917 588 L HN -0.200 nan 8.230 nan 0.000 0.441 589 F N -0.693 119.234 119.950 -0.038 0.000 2.171 589 F HA -0.119 4.339 4.527 -0.116 0.000 0.300 589 F C 2.476 178.300 175.800 0.039 0.000 1.090 589 F CA 1.210 59.208 58.000 -0.003 0.000 1.293 589 F CB -1.373 37.634 39.000 0.012 0.000 1.013 589 F HN -0.093 nan 8.300 nan 0.000 0.486 590 V N -0.468 119.583 119.914 0.228 0.000 2.427 590 V HA -0.265 3.786 4.120 -0.116 0.000 0.248 590 V C 2.331 178.597 176.094 0.287 0.000 1.051 590 V CA 1.775 64.209 62.300 0.222 0.000 1.048 590 V CB -0.733 31.198 31.823 0.181 0.000 0.666 590 V HN 0.339 nan 8.190 nan 0.000 0.456 591 Q N -0.474 119.427 119.800 0.168 0.000 2.364 591 Q HA -0.076 4.195 4.340 -0.116 0.000 0.207 591 Q C 2.050 178.191 176.000 0.235 0.000 0.970 591 Q CA 1.017 56.901 55.803 0.134 0.000 0.888 591 Q CB -0.003 28.738 28.738 0.005 0.000 0.951 591 Q HN 0.600 nan 8.270 nan 0.000 0.469 592 L N 0.016 121.363 121.223 0.206 0.000 2.341 592 L HA -0.070 4.201 4.340 -0.116 0.000 0.214 592 L C 1.901 178.888 176.870 0.194 0.000 1.115 592 L CA 0.247 55.203 54.840 0.193 0.000 0.820 592 L CB -0.130 42.032 42.059 0.173 0.000 0.944 592 L HN 0.304 nan 8.230 nan 0.000 0.452 593 L N -1.337 120.013 121.223 0.211 0.000 2.265 593 L HA -0.206 4.064 4.340 -0.116 0.000 0.215 593 L C 1.876 178.748 176.870 0.004 0.000 1.117 593 L CA 1.149 56.033 54.840 0.074 0.000 0.782 593 L CB -0.493 41.558 42.059 -0.013 0.000 0.914 593 L HN 0.255 nan 8.230 nan 0.000 0.441 594 Y N -0.811 119.527 120.300 0.063 0.000 2.490 594 Y HA 0.103 4.584 4.550 -0.116 0.000 0.281 594 Y C 1.749 177.682 175.900 0.056 0.000 1.174 594 Y CA -0.341 57.793 58.100 0.056 0.000 1.295 594 Y CB -0.271 38.222 38.460 0.054 0.000 1.062 594 Y HN -0.026 nan 8.280 nan 0.000 0.522 595 S N 0.489 116.306 115.700 0.195 0.000 2.560 595 S HA -0.010 4.390 4.470 -0.116 0.000 0.284 595 S C 1.444 176.100 174.600 0.093 0.000 1.327 595 S CA 0.190 58.472 58.200 0.137 0.000 1.055 595 S CB 0.473 63.747 63.200 0.122 0.000 0.868 595 S HN 0.456 nan 8.310 nan 0.000 0.506 596 S N 2.904 118.650 115.700 0.076 0.000 2.603 596 S HA 0.099 4.500 4.470 -0.116 0.000 0.220 596 S C 0.241 174.866 174.600 0.042 0.000 0.967 596 S CA -0.304 57.928 58.200 0.054 0.000 0.920 596 S CB -0.221 63.006 63.200 0.046 0.000 0.773 596 S HN 0.479 nan 8.310 nan 0.000 0.529 597 V N 2.848 122.789 119.914 0.047 0.000 2.320 597 V HA 0.249 4.300 4.120 -0.116 0.000 0.265 597 V C 0.937 177.053 176.094 0.037 0.000 1.048 597 V CA -0.479 61.843 62.300 0.037 0.000 0.865 597 V CB 0.601 32.446 31.823 0.037 0.000 1.043 597 V HN 0.395 nan 8.190 nan 0.000 0.474 598 E N 2.781 122.999 120.200 0.030 0.000 2.204 598 E HA -0.197 4.083 4.350 -0.116 0.000 0.195 598 E C 1.587 178.202 176.600 0.025 0.000 0.990 598 E CA 0.767 57.184 56.400 0.028 0.000 0.821 598 E CB 0.030 29.745 29.700 0.025 0.000 0.750 598 E HN 0.636 nan 8.360 nan 0.000 0.477 599 N N 0.622 119.334 118.700 0.020 0.000 2.453 599 N HA -0.073 4.598 4.740 -0.116 0.000 0.183 599 N C 1.434 176.949 175.510 0.009 0.000 1.041 599 N CA 0.753 53.811 53.050 0.013 0.000 0.900 599 N CB 0.173 38.667 38.487 0.012 0.000 0.961 599 N HN 0.242 nan 8.380 nan 0.000 0.443 600 I N 0.100 120.684 120.570 0.023 0.000 2.927 600 I HA -0.090 4.011 4.170 -0.116 0.000 0.268 600 I C 1.967 178.103 176.117 0.031 0.000 1.153 600 I CA 0.177 61.496 61.300 0.031 0.000 1.459 600 I CB -0.059 37.975 38.000 0.058 0.000 1.149 600 I HN 0.024 nan 8.210 nan 0.000 0.443 601 Q N 0.721 120.544 119.800 0.038 0.000 2.112 601 Q HA -0.276 3.994 4.340 -0.116 0.000 0.206 601 Q C 2.260 178.277 176.000 0.029 0.000 0.987 601 Q CA 1.726 57.552 55.803 0.039 0.000 0.858 601 Q CB -0.267 28.493 28.738 0.037 0.000 0.905 601 Q HN 0.396 nan 8.270 nan 0.000 0.420 602 R N 0.485 121.000 120.500 0.025 0.000 2.070 602 R HA -0.153 4.118 4.340 -0.116 0.000 0.232 602 R C 2.404 178.657 176.300 -0.079 0.000 1.138 602 R CA 1.858 57.982 56.100 0.039 0.000 0.936 602 R CB -0.283 30.046 30.300 0.048 0.000 0.839 602 R HN 0.323 nan 8.270 nan 0.000 0.429 603 V N -1.545 118.286 119.914 -0.139 0.000 2.515 603 V HA -0.054 3.996 4.120 -0.116 0.000 0.250 603 V C 2.302 178.279 176.094 -0.195 0.000 1.058 603 V CA 1.622 63.776 62.300 -0.244 0.000 1.064 603 V CB -1.131 30.579 31.823 -0.188 0.000 0.675 603 V HN 0.385 nan 8.190 nan 0.000 0.461 604 A N 0.968 123.721 122.820 -0.112 0.000 1.877 604 A HA 0.030 4.281 4.320 -0.116 0.000 0.216 604 A C 2.464 179.983 177.584 -0.109 0.000 1.186 604 A CA 2.521 54.501 52.037 -0.095 0.000 0.620 604 A CB -1.063 17.964 19.000 0.046 0.000 0.822 604 A HN 0.935 nan 8.150 nan 0.000 0.443 605 A N -0.793 121.993 122.820 -0.057 0.000 1.970 605 A HA 0.256 4.507 4.320 -0.116 0.000 0.216 605 A C 2.324 179.843 177.584 -0.109 0.000 1.170 605 A CA 1.597 53.625 52.037 -0.015 0.000 0.645 605 A CB -1.131 17.915 19.000 0.077 0.000 0.816 605 A HN 0.661 nan 8.150 nan 0.000 0.447 606 G N -0.700 107.908 108.800 -0.320 0.000 2.404 606 G HA2 -0.124 3.767 3.960 -0.116 0.000 0.215 606 G HA3 -0.124 3.767 3.960 -0.116 0.000 0.215 606 G C 1.606 176.328 174.900 -0.297 0.000 1.174 606 G CA 1.142 45.864 45.100 -0.631 0.000 0.780 606 G HN 0.464 nan 8.290 nan 0.000 0.537 607 V N 0.631 120.424 119.914 -0.201 0.000 2.515 607 V HA 0.003 4.054 4.120 -0.116 0.000 0.250 607 V C 2.785 178.710 176.094 -0.281 0.000 1.058 607 V CA 1.429 63.509 62.300 -0.368 0.000 1.064 607 V CB -0.200 31.260 31.823 -0.605 0.000 0.675 607 V HN 0.393 nan 8.190 nan 0.000 0.461 608 L N -0.722 120.378 121.223 -0.204 0.000 2.217 608 L HA -0.160 4.111 4.340 -0.116 0.000 0.211 608 L C 2.714 179.568 176.870 -0.028 0.000 1.107 608 L CA 1.498 56.308 54.840 -0.051 0.000 0.783 608 L CB -0.688 41.383 42.059 0.021 0.000 0.919 608 L HN 0.564 nan 8.230 nan 0.000 0.442 609 C N 0.365 119.634 119.300 -0.050 0.000 2.432 609 C HA -0.138 4.253 4.460 -0.116 0.000 0.277 609 C C 2.771 177.745 174.990 -0.026 0.000 1.249 609 C CA 0.879 59.904 59.018 0.011 0.000 1.725 609 C CB -0.484 27.316 27.740 0.099 0.000 2.028 609 C HN 0.475 nan 8.230 nan 0.000 0.477 610 E N 0.412 120.543 120.200 -0.114 0.000 2.150 610 E HA -0.085 4.196 4.350 -0.116 0.000 0.193 610 E C 1.979 178.531 176.600 -0.080 0.000 0.985 610 E CA 0.816 57.144 56.400 -0.120 0.000 0.814 610 E CB -0.474 29.094 29.700 -0.220 0.000 0.752 610 E HN 0.514 nan 8.360 nan 0.000 0.466 611 L N 0.525 121.710 121.223 -0.062 0.000 2.156 611 L HA -0.006 4.265 4.340 -0.116 0.000 0.208 611 L C 2.112 178.970 176.870 -0.019 0.000 1.095 611 L CA 1.269 56.099 54.840 -0.017 0.000 0.770 611 L CB -0.846 41.246 42.059 0.054 0.000 0.914 611 L HN -0.004 nan 8.230 nan 0.000 0.439 612 A N -0.768 122.050 122.820 -0.004 0.000 2.206 612 A HA -0.136 4.115 4.320 -0.116 0.000 0.211 612 A C 1.992 179.570 177.584 -0.010 0.000 1.158 612 A CA 0.734 52.774 52.037 0.004 0.000 0.761 612 A CB -0.565 18.454 19.000 0.033 0.000 0.801 612 A HN 0.652 nan 8.150 nan 0.000 0.473 613 Q N -0.471 119.317 119.800 -0.019 0.000 2.444 613 Q HA 0.019 4.290 4.340 -0.116 0.000 0.206 613 Q C -0.952 175.021 176.000 -0.044 0.000 0.948 613 Q CA 0.406 56.199 55.803 -0.017 0.000 0.946 613 Q CB 0.040 28.770 28.738 -0.013 0.000 1.027 613 Q HN 0.346 nan 8.270 nan 0.000 0.513 614 D N 1.272 121.627 120.400 -0.075 0.000 2.391 614 D HA 0.102 4.672 4.640 -0.116 0.000 0.245 614 D C 0.047 176.274 176.300 -0.123 0.000 1.069 614 D CA -0.402 53.532 54.000 -0.109 0.000 0.831 614 D CB 1.923 42.627 40.800 -0.159 0.000 1.204 614 D HN 0.032 nan 8.370 nan 0.000 0.503 615 K N 1.938 122.277 120.400 -0.101 0.000 1.987 615 K HA -0.205 4.045 4.320 -0.116 0.000 0.216 615 K C 1.010 177.548 176.600 -0.103 0.000 1.051 615 K CA 1.324 57.560 56.287 -0.084 0.000 0.942 615 K CB 0.252 32.712 32.500 -0.066 0.000 0.722 615 K HN 0.265 nan 8.250 nan 0.000 0.444 616 E N -0.035 120.081 120.200 -0.140 0.000 2.267 616 E HA -0.156 4.124 4.350 -0.116 0.000 0.197 616 E C 1.730 178.188 176.600 -0.235 0.000 0.998 616 E CA 1.080 57.393 56.400 -0.144 0.000 0.830 616 E CB -0.150 29.463 29.700 -0.145 0.000 0.751 616 E HN 0.464 nan 8.360 nan 0.000 0.491 617 A N 0.868 123.447 122.820 -0.402 0.000 1.975 617 A HA 0.149 4.400 4.320 -0.116 0.000 0.215 617 A C 2.330 179.885 177.584 -0.048 0.000 1.170 617 A CA 1.264 53.046 52.037 -0.425 0.000 0.656 617 A CB -0.192 18.509 19.000 -0.498 0.000 0.821 617 A HN 0.239 nan 8.150 nan 0.000 0.449 618 A N 0.064 122.851 122.820 -0.055 0.000 1.929 618 A HA -0.091 4.159 4.320 -0.116 0.000 0.216 618 A C 1.693 179.293 177.584 0.027 0.000 1.176 618 A CA 1.619 53.656 52.037 -0.000 0.000 0.628 618 A CB -0.424 18.564 19.000 -0.021 0.000 0.816 618 A HN 0.394 nan 8.150 nan 0.000 0.444 619 D N 0.365 120.777 120.400 0.020 0.000 2.144 619 D HA -0.079 4.492 4.640 -0.116 0.000 0.199 619 D C 2.182 178.523 176.300 0.069 0.000 0.984 619 D CA 1.514 55.536 54.000 0.036 0.000 0.834 619 D CB -0.333 40.484 40.800 0.028 0.000 0.955 619 D HN 0.421 nan 8.370 nan 0.000 0.465 620 A N 0.595 123.485 122.820 0.117 0.000 1.930 620 A HA -0.093 4.157 4.320 -0.116 0.000 0.217 620 A C 2.319 179.972 177.584 0.115 0.000 1.175 620 A CA 0.688 52.809 52.037 0.141 0.000 0.627 620 A CB -0.598 18.553 19.000 0.253 0.000 0.815 620 A HN 0.220 nan 8.150 nan 0.000 0.443 621 I N -0.296 120.346 120.570 0.120 0.000 2.493 621 I HA -0.178 3.923 4.170 -0.116 0.000 0.254 621 I C 2.136 178.304 176.117 0.084 0.000 1.160 621 I CA 1.525 62.890 61.300 0.109 0.000 1.445 621 I CB -0.260 37.805 38.000 0.109 0.000 1.086 621 I HN 0.396 nan 8.210 nan 0.000 0.433 622 D N 1.458 121.898 120.400 0.068 0.000 2.213 622 D HA -0.050 4.520 4.640 -0.116 0.000 0.205 622 D C 2.154 178.485 176.300 0.052 0.000 0.961 622 D CA 1.024 55.056 54.000 0.054 0.000 0.853 622 D CB 0.383 41.205 40.800 0.037 0.000 0.967 622 D HN 0.271 nan 8.370 nan 0.000 0.496 623 A N 0.495 123.347 122.820 0.053 0.000 2.121 623 A HA -0.118 4.132 4.320 -0.116 0.000 0.218 623 A C 1.944 179.554 177.584 0.045 0.000 1.154 623 A CA 1.099 53.163 52.037 0.045 0.000 0.679 623 A CB -0.293 18.733 19.000 0.044 0.000 0.795 623 A HN 0.135 nan 8.150 nan 0.000 0.458 624 E N -0.889 119.344 120.200 0.056 0.000 2.478 624 E HA 0.262 4.543 4.350 -0.116 0.000 0.194 624 E C 0.976 177.619 176.600 0.072 0.000 1.045 624 E CA 0.705 57.139 56.400 0.057 0.000 0.868 624 E CB -0.218 29.522 29.700 0.066 0.000 0.885 624 E HN 0.702 nan 8.360 nan 0.000 0.505 625 G N -0.098 108.746 108.800 0.074 0.000 2.248 625 G HA2 -0.255 3.636 3.960 -0.116 0.000 0.263 625 G HA3 -0.255 3.636 3.960 -0.116 0.000 0.263 625 G C 0.749 175.718 174.900 0.115 0.000 1.082 625 G CA 0.375 45.525 45.100 0.085 0.000 0.863 625 G HN 0.434 nan 8.290 nan 0.000 0.495 626 A N 0.057 122.939 122.820 0.103 0.000 2.072 626 A HA 0.363 4.614 4.320 -0.116 0.000 0.216 626 A C 2.578 180.203 177.584 0.069 0.000 1.156 626 A CA 1.866 53.967 52.037 0.105 0.000 0.701 626 A CB -0.469 18.593 19.000 0.102 0.000 0.816 626 A HN 1.772 nan 8.150 nan 0.000 0.458 627 S N 0.321 116.058 115.700 0.061 0.000 2.440 627 S HA -0.072 4.328 4.470 -0.116 0.000 0.240 627 S C 1.851 176.475 174.600 0.039 0.000 1.014 627 S CA 1.324 59.552 58.200 0.047 0.000 0.980 627 S CB -0.457 62.768 63.200 0.043 0.000 0.775 627 S HN 0.788 nan 8.310 nan 0.000 0.499 628 A N 2.933 125.780 122.820 0.045 0.000 1.861 628 A HA 0.220 4.471 4.320 -0.116 0.000 0.212 628 A C 0.379 177.949 177.584 -0.024 0.000 1.199 628 A CA 0.724 52.780 52.037 0.033 0.000 0.613 628 A CB -1.289 17.751 19.000 0.067 0.000 0.846 628 A HN 0.585 nan 8.150 nan 0.000 0.446 629 P HA -0.068 nan 4.420 nan 0.000 0.223 629 P C 1.361 178.574 177.300 -0.145 0.000 1.151 629 P CA 0.743 63.669 63.100 -0.290 0.000 0.787 629 P CB -0.107 31.228 31.700 -0.609 0.000 0.788 630 L N -1.325 119.867 121.223 -0.053 0.000 2.109 630 L HA -0.077 4.193 4.340 -0.116 0.000 0.207 630 L C 2.686 179.564 176.870 0.013 0.000 1.086 630 L CA 1.057 55.894 54.840 -0.006 0.000 0.760 630 L CB -0.949 41.124 42.059 0.024 0.000 0.910 630 L HN -0.106 nan 8.230 nan 0.000 0.437 631 M N -0.493 119.121 119.600 0.024 0.000 2.267 631 M HA -0.159 4.252 4.480 -0.116 0.000 0.263 631 M C 2.097 178.468 176.300 0.118 0.000 1.063 631 M CA 1.452 56.790 55.300 0.063 0.000 1.090 631 M CB -0.932 31.707 32.600 0.064 0.000 1.392 631 M HN 0.232 nan 8.290 nan 0.000 0.422 632 E N 0.198 120.432 120.200 0.058 0.000 2.152 632 E HA 0.001 4.282 4.350 -0.116 0.000 0.192 632 E C 2.245 178.898 176.600 0.087 0.000 0.983 632 E CA 0.822 57.262 56.400 0.067 0.000 0.818 632 E CB -0.236 29.450 29.700 -0.024 0.000 0.758 632 E HN 0.514 nan 8.360 nan 0.000 0.467 633 L N 0.502 121.749 121.223 0.040 0.000 2.313 633 L HA -0.027 4.243 4.340 -0.116 0.000 0.214 633 L C 2.448 179.333 176.870 0.026 0.000 1.119 633 L CA 0.262 55.121 54.840 0.032 0.000 0.809 633 L CB -0.322 41.748 42.059 0.018 0.000 0.933 633 L HN 0.074 nan 8.230 nan 0.000 0.449 634 L N -0.513 120.712 121.223 0.003 0.000 2.079 634 L HA -0.234 4.036 4.340 -0.116 0.000 0.210 634 L C 2.067 178.830 176.870 -0.178 0.000 1.081 634 L CA 1.136 55.911 54.840 -0.108 0.000 0.752 634 L CB -0.626 41.322 42.059 -0.184 0.000 0.896 634 L HN 0.447 nan 8.230 nan 0.000 0.433 635 H N -1.274 117.798 119.070 0.002 0.000 2.536 635 H HA 0.119 4.606 4.556 -0.116 0.000 0.276 635 H C 1.030 176.364 175.328 0.009 0.000 1.019 635 H CA -0.110 55.943 56.048 0.009 0.000 1.159 635 H CB 0.319 30.088 29.762 0.013 0.000 1.373 635 H HN 0.135 nan 8.280 nan 0.000 0.584 636 S N 1.470 117.217 115.700 0.079 0.000 2.562 636 S HA 0.004 4.405 4.470 -0.116 0.000 0.281 636 S C 1.684 176.306 174.600 0.037 0.000 1.333 636 S CA -0.715 57.517 58.200 0.053 0.000 1.052 636 S CB 0.810 64.030 63.200 0.035 0.000 0.884 636 S HN 0.636 nan 8.310 nan 0.000 0.506 637 R N 3.362 123.883 120.500 0.036 0.000 2.235 637 R HA 0.043 4.314 4.340 -0.116 0.000 0.213 637 R C 0.418 176.726 176.300 0.014 0.000 1.059 637 R CA 0.526 56.642 56.100 0.026 0.000 0.997 637 R CB -0.371 29.944 30.300 0.024 0.000 0.884 637 R HN 0.466 nan 8.270 nan 0.000 0.462 638 N N 2.499 121.206 118.700 0.013 0.000 2.500 638 N HA -0.024 4.647 4.740 -0.116 0.000 0.236 638 N C 0.268 175.772 175.510 -0.009 0.000 1.022 638 N CA -0.134 52.919 53.050 0.005 0.000 0.935 638 N CB 1.053 39.549 38.487 0.015 0.000 1.147 638 N HN 0.391 nan 8.380 nan 0.000 0.512 639 E N 1.877 122.062 120.200 -0.025 0.000 2.265 639 E HA -0.134 4.147 4.350 -0.116 0.000 0.196 639 E C 1.503 178.048 176.600 -0.091 0.000 0.996 639 E CA 0.935 57.304 56.400 -0.052 0.000 0.832 639 E CB -0.061 29.608 29.700 -0.052 0.000 0.756 639 E HN 0.627 nan 8.360 nan 0.000 0.491 640 G N 1.944 110.694 108.800 -0.083 0.000 2.453 640 G HA2 -0.350 3.541 3.960 -0.116 0.000 0.215 640 G HA3 -0.350 3.541 3.960 -0.116 0.000 0.215 640 G C 1.749 176.568 174.900 -0.136 0.000 1.201 640 G CA 1.524 46.535 45.100 -0.147 0.000 0.784 640 G HN 0.418 nan 8.290 nan 0.000 0.545 641 T N 0.339 114.918 114.554 0.042 0.000 2.962 641 T HA 0.191 4.471 4.350 -0.116 0.000 0.270 641 T C 2.496 177.235 174.700 0.065 0.000 1.088 641 T CA 1.823 64.009 62.100 0.143 0.000 1.127 641 T CB -0.330 68.603 68.868 0.110 0.000 0.883 641 T HN 0.315 nan 8.240 nan 0.000 0.493 642 A N 0.699 123.514 122.820 -0.009 0.000 1.969 642 A HA 0.042 4.293 4.320 -0.116 0.000 0.218 642 A C 2.558 180.107 177.584 -0.058 0.000 1.169 642 A CA 1.970 53.989 52.037 -0.031 0.000 0.635 642 A CB -1.017 17.954 19.000 -0.048 0.000 0.810 642 A HN 0.609 nan 8.150 nan 0.000 0.445 643 T N -1.372 113.108 114.554 -0.123 0.000 2.809 643 T HA -0.054 4.227 4.350 -0.116 0.000 0.260 643 T C 1.714 176.359 174.700 -0.091 0.000 1.039 643 T CA 1.322 63.325 62.100 -0.163 0.000 1.141 643 T CB -0.446 68.252 68.868 -0.283 0.000 0.869 643 T HN 0.464 nan 8.240 nan 0.000 0.437 644 Y N 2.038 122.339 120.300 0.003 0.000 2.207 644 Y HA -0.034 4.447 4.550 -0.116 0.000 0.287 644 Y C 2.767 178.677 175.900 0.017 0.000 1.156 644 Y CA 0.250 58.362 58.100 0.020 0.000 1.182 644 Y CB -1.190 37.293 38.460 0.039 0.000 0.979 644 Y HN 0.214 nan 8.280 nan 0.000 0.521 645 A N 0.071 122.985 122.820 0.157 0.000 1.865 645 A HA -0.157 4.093 4.320 -0.116 0.000 0.217 645 A C 2.539 180.169 177.584 0.075 0.000 1.191 645 A CA 2.223 54.316 52.037 0.094 0.000 0.623 645 A CB -1.350 17.682 19.000 0.054 0.000 0.826 645 A HN 0.397 nan 8.150 nan 0.000 0.444 646 A N -0.139 122.708 122.820 0.044 0.000 1.865 646 A HA 0.109 4.360 4.320 -0.116 0.000 0.217 646 A C 2.521 180.157 177.584 0.086 0.000 1.191 646 A CA 2.395 54.455 52.037 0.039 0.000 0.623 646 A CB -1.214 17.774 19.000 -0.020 0.000 0.826 646 A HN 1.254 nan 8.150 nan 0.000 0.444 647 A N -0.844 122.018 122.820 0.069 0.000 2.084 647 A HA 0.017 4.268 4.320 -0.116 0.000 0.221 647 A C 2.158 179.840 177.584 0.163 0.000 1.161 647 A CA 1.896 53.997 52.037 0.106 0.000 0.653 647 A CB -0.681 18.373 19.000 0.091 0.000 0.802 647 A HN 0.390 nan 8.150 nan 0.000 0.457 648 V N -0.449 119.546 119.914 0.135 0.000 2.300 648 V HA -0.155 3.896 4.120 -0.116 0.000 0.241 648 V C 2.434 178.594 176.094 0.110 0.000 1.034 648 V CA 1.544 63.911 62.300 0.112 0.000 1.021 648 V CB -0.754 31.124 31.823 0.091 0.000 0.662 648 V HN 0.564 nan 8.190 nan 0.000 0.458 649 L N -0.870 120.418 121.223 0.109 0.000 2.129 649 L HA -0.250 4.021 4.340 -0.116 0.000 0.212 649 L C 2.322 179.262 176.870 0.117 0.000 1.087 649 L CA 1.888 56.785 54.840 0.095 0.000 0.757 649 L CB -0.554 41.558 42.059 0.087 0.000 0.896 649 L HN 0.374 nan 8.230 nan 0.000 0.434 650 F N 0.384 120.340 119.950 0.009 0.000 2.187 650 F HA -0.064 4.393 4.527 -0.116 0.000 0.295 650 F C 2.541 178.342 175.800 0.003 0.000 1.091 650 F CA 1.139 59.141 58.000 0.003 0.000 1.308 650 F CB -0.016 38.984 39.000 0.000 0.000 1.030 650 F HN -0.183 nan 8.300 nan 0.000 0.487 651 R N 0.417 120.982 120.500 0.109 0.000 2.275 651 R HA 0.082 4.353 4.340 -0.116 0.000 0.199 651 R C 1.970 178.242 176.300 -0.047 0.000 0.989 651 R CA 1.243 57.352 56.100 0.016 0.000 1.016 651 R CB -0.350 30.007 30.300 0.094 0.000 0.918 651 R HN 0.506 nan 8.270 nan 0.000 0.473 652 I N -3.708 116.841 120.570 -0.036 0.000 3.783 652 I HA 0.174 4.274 4.170 -0.116 0.000 0.310 652 I C 1.132 177.210 176.117 -0.066 0.000 1.274 652 I CA 0.630 61.910 61.300 -0.033 0.000 1.294 652 I CB 0.567 38.570 38.000 0.005 0.000 1.051 652 I HN -0.172 nan 8.210 nan 0.000 0.435 653 S N 0.702 116.329 115.700 -0.121 0.000 2.497 653 S HA 0.011 4.412 4.470 -0.116 0.000 0.218 653 S C 1.727 176.210 174.600 -0.194 0.000 1.023 653 S CA 0.385 58.502 58.200 -0.138 0.000 0.913 653 S CB 0.143 63.263 63.200 -0.134 0.000 0.800 653 S HN 0.559 nan 8.310 nan 0.000 0.505 654 E N 1.838 121.867 120.200 -0.285 0.000 2.072 654 E HA -0.181 4.100 4.350 -0.116 0.000 0.191 654 E C 0.595 177.105 176.600 -0.151 0.000 0.985 654 E CA 1.444 57.677 56.400 -0.279 0.000 0.801 654 E CB 0.018 29.506 29.700 -0.354 0.000 0.750 654 E HN 0.337 nan 8.360 nan 0.000 0.452 655 D N 0.236 120.566 120.400 -0.117 0.000 2.347 655 D HA -0.088 4.483 4.640 -0.116 0.000 0.215 655 D C 0.983 177.246 176.300 -0.062 0.000 0.976 655 D CA 0.642 54.597 54.000 -0.075 0.000 0.884 655 D CB 0.080 40.842 40.800 -0.062 0.000 0.915 655 D HN 0.130 nan 8.370 nan 0.000 0.526 656 K N 1.044 121.402 120.400 -0.070 0.000 2.896 656 K HA 0.064 4.315 4.320 -0.116 0.000 0.210 656 K C -0.427 176.140 176.600 -0.055 0.000 1.116 656 K CA -0.397 55.860 56.287 -0.051 0.000 1.050 656 K CB -0.058 32.417 32.500 -0.041 0.000 0.812 656 K HN -0.222 nan 8.250 nan 0.000 0.462 657 N N 2.042 120.705 118.700 -0.062 0.000 2.609 657 N HA 0.265 4.936 4.740 -0.116 0.000 0.234 657 N C -2.331 173.154 175.510 -0.041 0.000 1.001 657 N CA -1.300 51.714 53.050 -0.060 0.000 0.926 657 N CB 0.962 39.400 38.487 -0.082 0.000 1.130 657 N HN 0.178 nan 8.380 nan 0.000 0.510 662 K N 1.095 121.487 120.400 -0.014 0.000 2.097 662 K HA -0.029 4.222 4.320 -0.116 0.000 0.205 662 K C 2.001 178.613 176.600 0.020 0.000 1.050 662 K CA 1.341 57.634 56.287 0.010 0.000 0.938 662 K CB 0.027 32.531 32.500 0.006 0.000 0.718 662 K HN 0.389 nan 8.250 nan 0.000 0.442 663 R N 0.996 121.504 120.500 0.013 0.000 2.148 663 R HA -0.003 4.268 4.340 -0.116 0.000 0.227 663 R C 2.209 178.524 176.300 0.026 0.000 1.103 663 R CA 0.865 56.975 56.100 0.017 0.000 0.983 663 R CB -0.269 30.038 30.300 0.012 0.000 0.874 663 R HN 0.022 nan 8.270 nan 0.000 0.451 664 V N 0.814 120.748 119.914 0.033 0.000 2.488 664 V HA -0.205 3.845 4.120 -0.116 0.000 0.246 664 V C 2.442 178.572 176.094 0.060 0.000 1.046 664 V CA 2.027 64.355 62.300 0.047 0.000 1.053 664 V CB -0.147 31.711 31.823 0.057 0.000 0.679 664 V HN 0.436 nan 8.190 nan 0.000 0.458 665 S N 0.000 115.748 115.700 0.079 0.000 2.402 665 S HA -0.140 4.261 4.470 -0.116 0.000 0.229 665 S C 1.895 176.516 174.600 0.036 0.000 1.021 665 S CA 1.540 59.787 58.200 0.079 0.000 0.974 665 S CB -0.469 62.798 63.200 0.112 0.000 0.800 665 S HN 0.322 nan 8.310 nan 0.000 0.484 666 V N 2.111 122.043 119.914 0.029 0.000 2.626 666 V HA -0.061 3.989 4.120 -0.116 0.000 0.252 666 V C 2.799 178.898 176.094 0.009 0.000 1.067 666 V CA 1.689 63.998 62.300 0.014 0.000 1.081 666 V CB -0.685 31.146 31.823 0.014 0.000 0.686 666 V HN 0.461 nan 8.190 nan 0.000 0.468 667 E N -0.081 120.129 120.200 0.016 0.000 2.107 667 E HA -0.094 4.187 4.350 -0.116 0.000 0.191 667 E C 1.917 178.511 176.600 -0.011 0.000 0.982 667 E CA 0.762 57.171 56.400 0.014 0.000 0.809 667 E CB -0.161 29.556 29.700 0.028 0.000 0.756 667 E HN 0.463 nan 8.360 nan 0.000 0.459 668 L N 1.097 122.310 121.223 -0.017 0.000 2.591 668 L HA 0.020 4.291 4.340 -0.116 0.000 0.228 668 L C 1.742 178.579 176.870 -0.055 0.000 1.133 668 L CA 1.185 55.995 54.840 -0.050 0.000 0.880 668 L CB -0.220 41.817 42.059 -0.038 0.000 1.033 668 L HN 0.128 nan 8.230 nan 0.000 0.450 669 T N -5.325 109.206 114.554 -0.038 0.000 3.098 669 T HA 0.109 4.390 4.350 -0.116 0.000 0.246 669 T C 1.092 175.766 174.700 -0.044 0.000 0.983 669 T CA -0.078 61.998 62.100 -0.041 0.000 1.094 669 T CB -0.458 68.394 68.868 -0.028 0.000 1.035 669 T HN 0.106 nan 8.240 nan 0.000 0.456 670 N N 2.669 121.350 118.700 -0.031 0.000 3.050 670 N HA 0.319 4.989 4.740 -0.116 0.000 0.289 670 N C -1.367 174.122 175.510 -0.035 0.000 1.209 670 N CA 0.017 53.048 53.050 -0.032 0.000 1.154 670 N CB -0.612 37.865 38.487 -0.018 0.000 1.444 670 N HN 0.456 nan 8.380 nan 0.000 0.529 671 S N 0.922 116.586 115.700 -0.061 0.000 2.535 671 S HA 0.474 4.875 4.470 -0.116 0.000 0.272 671 S C -0.795 173.719 174.600 -0.143 0.000 1.149 671 S CA -0.765 57.398 58.200 -0.062 0.000 0.888 671 S CB 1.521 64.713 63.200 -0.014 0.000 1.110 671 S HN 0.206 nan 8.310 nan 0.000 0.463 672 L N 2.854 123.934 121.223 -0.239 0.000 2.346 672 L HA 0.769 5.039 4.340 -0.116 0.000 0.274 672 L C -0.929 175.674 176.870 -0.446 0.000 1.007 672 L CA -0.719 53.791 54.840 -0.551 0.000 0.818 672 L CB 0.831 42.281 42.059 -1.015 0.000 1.284 672 L HN 0.804 nan 8.230 nan 0.000 0.424 673 F N 0.000 119.969 119.950 0.031 0.000 2.286 673 F HA 0.000 4.458 4.527 -0.116 0.000 0.279 673 F CA 0.000 58.022 58.000 0.037 0.000 1.383 673 F CB 0.000 39.019 39.000 0.031 0.000 1.145 673 F HN 0.000 nan 8.300 nan 0.000 0.574