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 1n94_1_B DATA FIRST_RESID 22 DATA SEQUENCE PLYSLRPEHA RERLQDDSVE TVTSIEQAKV EEKIQEVFSS YKFNHLVPRL DATA SEQUENCE VLQREKHFHY LKRGLRQLTD AYECLDASRP WLCYWILHSL ELLDEPIPQI DATA SEQUENCE VATDVCQFLE LCQSPDGGFG GGPGQYPHLA PTYAAVNALC IIGTEEAYNV DATA SEQUENCE INREKLLQYL YSLKQPDGSF LMHVGGEVDV RSAYCAASVA SLTNIITPDL DATA SEQUENCE FEGTAEWIAR CQNWEGGIGG VPGMEAHGGY TFCGLAALVI LKKERSLNLK DATA SEQUENCE SLLQWVTSRQ MRFEGGFQGR CNKLVDGCYS FWQAGLLPLL HRALHAQGDP DATA SEQUENCE ALSMSHWMFH QQALQEYILM CCQCPAGGLL DKPGKSRDFY HTCYCLSGLS DATA SEQUENCE IAQHFGSGAM LHDVVMGVPE NVLQPTHPVY NIGPDKVIQA TTHFLQK 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 22 P HA 0.000 nan 4.420 nan 0.000 0.216 22 P C 0.000 177.305 177.300 0.008 0.000 1.155 22 P CA 0.000 63.105 63.100 0.008 0.000 0.800 22 P CB 0.000 31.702 31.700 0.003 0.000 0.726 23 L N 0.876 122.088 121.223 -0.019 0.000 2.410 23 L HA 0.119 4.459 4.340 0.000 0.000 0.273 23 L C 2.002 178.836 176.870 -0.059 0.000 1.144 23 L CA -0.369 54.456 54.840 -0.025 0.000 0.863 23 L CB 0.067 42.085 42.059 -0.069 0.000 1.140 23 L HN 0.487 nan 8.230 nan 0.000 0.463 24 Y N 3.468 123.713 120.300 -0.093 0.000 2.029 24 Y HA -0.405 4.145 4.550 0.000 0.000 0.269 24 Y C 2.490 178.228 175.900 -0.270 0.000 1.201 24 Y CA 2.293 60.340 58.100 -0.087 0.000 1.115 24 Y CB -0.247 38.210 38.460 -0.004 0.000 0.945 24 Y HN 0.695 nan 8.280 nan 0.000 0.497 25 S N 0.427 115.713 115.700 -0.690 0.000 2.407 25 S HA -0.234 4.236 4.470 0.000 0.000 0.235 25 S C 2.028 175.751 174.600 -1.463 0.000 1.036 25 S CA 1.754 59.082 58.200 -1.453 0.000 1.013 25 S CB -0.563 61.803 63.200 -1.391 0.000 0.820 25 S HN 0.508 nan 8.310 nan 0.000 0.476 26 L N 0.348 121.112 121.223 -0.766 0.000 2.127 26 L HA 0.077 4.417 4.340 0.000 0.000 0.203 26 L C 0.977 177.661 176.870 -0.310 0.000 1.080 26 L CA 0.245 54.812 54.840 -0.454 0.000 0.768 26 L CB -0.348 41.560 42.059 -0.251 0.000 0.924 26 L HN 0.114 nan 8.230 nan 0.000 0.444 27 R N 0.597 120.950 120.500 -0.245 0.000 2.445 27 R HA -0.207 4.133 4.340 0.000 0.000 0.276 27 R C -1.650 174.608 176.300 -0.069 0.000 0.960 27 R CA -0.411 55.623 56.100 -0.110 0.000 1.087 27 R CB -0.535 29.731 30.300 -0.055 0.000 0.848 27 R HN 0.016 nan 8.270 nan 0.000 0.429 28 P HA -0.190 nan 4.420 nan 0.000 0.211 28 P C 0.357 177.677 177.300 0.034 0.000 1.179 28 P CA 1.321 64.425 63.100 0.006 0.000 0.910 28 P CB 0.108 31.813 31.700 0.008 0.000 0.785 29 E N -1.281 118.939 120.200 0.034 0.000 2.533 29 E HA -0.213 4.137 4.350 0.000 0.000 0.203 29 E C 1.608 178.233 176.600 0.041 0.000 1.101 29 E CA 0.763 57.187 56.400 0.040 0.000 0.894 29 E CB -1.642 28.079 29.700 0.035 0.000 0.843 29 E HN 0.446 nan 8.360 nan 0.000 0.552 30 H N 0.958 119.975 119.070 -0.089 0.000 2.529 30 H HA 0.269 4.825 4.556 0.000 0.000 0.277 30 H C 0.692 176.010 175.328 -0.016 0.000 0.999 30 H CA 0.936 56.875 56.048 -0.181 0.000 1.256 30 H CB 0.184 29.675 29.762 -0.451 0.000 1.402 30 H HN 0.244 nan 8.280 nan 0.000 0.566 31 A N 1.297 124.248 122.820 0.217 0.000 2.543 31 A HA 0.154 4.474 4.320 0.000 0.000 0.258 31 A C 1.553 179.220 177.584 0.138 0.000 1.391 31 A CA -0.251 51.948 52.037 0.269 0.000 1.066 31 A CB -0.321 18.796 19.000 0.196 0.000 0.972 31 A HN 0.189 nan 8.150 nan 0.000 0.560 32 R N -0.413 120.136 120.500 0.082 0.000 2.287 32 R HA 0.089 4.429 4.340 0.000 0.000 0.197 32 R C 0.103 176.422 176.300 0.032 0.000 0.900 32 R CA 0.269 56.392 56.100 0.038 0.000 1.052 32 R CB 0.148 30.457 30.300 0.016 0.000 1.117 32 R HN 0.419 nan 8.270 nan 0.000 0.568 33 E N 1.261 121.482 120.200 0.034 0.000 2.365 33 E HA 0.061 4.411 4.350 0.000 0.000 0.188 33 E C 0.501 177.207 176.600 0.177 0.000 1.102 33 E CA 0.024 56.456 56.400 0.053 0.000 0.927 33 E CB 0.137 29.773 29.700 -0.106 0.000 1.073 33 E HN -0.007 nan 8.360 nan 0.000 0.467 34 R N 0.448 120.995 120.500 0.078 0.000 2.668 34 R HA 0.245 4.585 4.340 0.000 0.000 0.268 34 R C 0.303 176.536 176.300 -0.111 0.000 1.232 34 R CA -0.832 55.178 56.100 -0.150 0.000 1.166 34 R CB 0.038 30.244 30.300 -0.157 0.000 1.179 34 R HN 0.089 nan 8.270 nan 0.000 0.606 35 L N 1.239 122.366 121.223 -0.160 0.000 2.305 35 L HA 0.216 4.556 4.340 0.000 0.000 0.281 35 L C -0.591 176.242 176.870 -0.061 0.000 1.085 35 L CA 0.431 55.216 54.840 -0.093 0.000 0.813 35 L CB 0.910 42.910 42.059 -0.099 0.000 1.157 35 L HN 0.353 nan 8.230 nan 0.000 0.436 36 Q N 3.747 123.526 119.800 -0.036 0.000 2.372 36 Q HA 0.237 4.577 4.340 0.000 0.000 0.259 36 Q C -0.313 175.675 176.000 -0.019 0.000 0.993 36 Q CA -0.343 55.446 55.803 -0.023 0.000 0.854 36 Q CB 1.348 30.079 28.738 -0.012 0.000 1.231 36 Q HN 0.716 nan 8.270 nan 0.000 0.462 37 D N 2.217 122.605 120.400 -0.019 0.000 2.328 37 D HA -0.071 4.569 4.640 0.000 0.000 0.221 37 D C -0.574 175.722 176.300 -0.007 0.000 1.072 37 D CA -0.033 53.959 54.000 -0.014 0.000 0.850 37 D CB 0.276 41.066 40.800 -0.017 0.000 0.922 37 D HN 0.513 nan 8.370 nan 0.000 0.516 38 D N 0.438 120.834 120.400 -0.006 0.000 2.772 38 D HA -0.197 4.443 4.640 0.000 0.000 0.233 38 D C -0.185 176.114 176.300 -0.003 0.000 1.143 38 D CA 0.984 54.983 54.000 -0.002 0.000 0.700 38 D CB -1.926 38.875 40.800 0.002 0.000 1.076 38 D HN 0.227 nan 8.370 nan 0.000 0.430 39 S N -2.755 112.942 115.700 -0.005 0.000 3.402 39 S HA -0.251 4.219 4.470 0.000 0.000 0.329 39 S C 0.478 175.076 174.600 -0.003 0.000 1.194 39 S CA 1.154 59.351 58.200 -0.005 0.000 0.951 39 S CB -0.716 62.482 63.200 -0.004 0.000 0.975 39 S HN 0.449 nan 8.310 nan 0.000 0.574 40 V N 0.357 120.270 119.914 -0.003 0.000 3.096 40 V HA 0.682 4.802 4.120 0.000 0.000 0.319 40 V C 0.122 176.215 176.094 -0.001 0.000 1.103 40 V CA -0.801 61.499 62.300 -0.000 0.000 1.016 40 V CB 2.079 33.903 31.823 0.002 0.000 1.090 40 V HN 0.340 nan 8.190 nan 0.000 0.449 41 E N 0.820 121.021 120.200 0.001 0.000 2.307 41 E HA 0.542 4.892 4.350 0.000 0.000 0.280 41 E C -1.355 175.247 176.600 0.004 0.000 0.900 41 E CA -0.521 55.880 56.400 0.000 0.000 0.790 41 E CB 2.282 31.980 29.700 -0.002 0.000 1.261 41 E HN 0.894 nan 8.360 nan 0.000 0.405 42 T N -1.905 112.652 114.554 0.006 0.000 2.933 42 T HA 0.228 4.578 4.350 0.000 0.000 0.305 42 T C 1.127 175.834 174.700 0.011 0.000 1.092 42 T CA -0.765 61.341 62.100 0.010 0.000 1.008 42 T CB 1.457 70.334 68.868 0.015 0.000 1.102 42 T HN 0.094 nan 8.240 nan 0.000 0.469 43 V N 2.251 122.173 119.914 0.014 0.000 2.295 43 V HA -0.329 3.791 4.120 0.000 0.000 0.262 43 V C 2.846 178.949 176.094 0.017 0.000 1.098 43 V CA 2.977 65.286 62.300 0.015 0.000 1.095 43 V CB -1.678 30.157 31.823 0.020 0.000 0.704 43 V HN 1.118 nan 8.190 nan 0.000 0.454 44 T N -0.892 113.674 114.554 0.021 0.000 2.684 44 T HA -0.263 4.087 4.350 0.000 0.000 0.267 44 T C 2.069 176.776 174.700 0.012 0.000 1.036 44 T CA 2.013 64.126 62.100 0.022 0.000 1.148 44 T CB -0.427 68.457 68.868 0.027 0.000 0.863 44 T HN 0.603 nan 8.240 nan 0.000 0.436 45 S N 0.789 116.493 115.700 0.007 0.000 2.351 45 S HA -0.117 4.353 4.470 0.000 0.000 0.220 45 S C 2.061 176.656 174.600 -0.009 0.000 1.035 45 S CA 1.350 59.548 58.200 -0.003 0.000 1.031 45 S CB -0.640 62.558 63.200 -0.003 0.000 0.928 45 S HN 0.477 nan 8.310 nan 0.000 0.433 46 I N 1.591 122.158 120.570 -0.005 0.000 2.091 46 I HA -0.205 3.965 4.170 0.000 0.000 0.239 46 I C 2.836 178.948 176.117 -0.008 0.000 1.061 46 I CA 1.679 62.974 61.300 -0.008 0.000 1.317 46 I CB -0.623 37.376 38.000 -0.002 0.000 1.031 46 I HN 0.340 nan 8.210 nan 0.000 0.401 47 E N 0.476 120.677 120.200 0.001 0.000 2.038 47 E HA -0.301 4.049 4.350 0.000 0.000 0.195 47 E C 2.045 178.645 176.600 -0.000 0.000 1.000 47 E CA 1.502 57.906 56.400 0.006 0.000 0.803 47 E CB -0.543 29.168 29.700 0.019 0.000 0.750 47 E HN 0.410 nan 8.360 nan 0.000 0.448 48 Q N 0.873 120.671 119.800 -0.003 0.000 2.152 48 Q HA -0.125 4.215 4.340 0.000 0.000 0.206 48 Q C 1.876 177.852 176.000 -0.041 0.000 0.985 48 Q CA 1.960 57.754 55.803 -0.015 0.000 0.863 48 Q CB -0.509 28.219 28.738 -0.017 0.000 0.904 48 Q HN 0.244 nan 8.270 nan 0.000 0.422 49 A N 0.628 123.423 122.820 -0.043 0.000 1.845 49 A HA -0.232 4.088 4.320 0.000 0.000 0.215 49 A C 2.028 179.576 177.584 -0.059 0.000 1.195 49 A CA 1.899 53.899 52.037 -0.061 0.000 0.616 49 A CB -0.560 18.412 19.000 -0.046 0.000 0.832 49 A HN 0.442 nan 8.150 nan 0.000 0.443 50 K N -0.420 119.959 120.400 -0.035 0.000 2.074 50 K HA -0.119 4.201 4.320 0.000 0.000 0.209 50 K C 1.890 178.474 176.600 -0.027 0.000 1.048 50 K CA 1.556 57.826 56.287 -0.028 0.000 0.926 50 K CB -0.474 32.018 32.500 -0.014 0.000 0.713 50 K HN 0.339 nan 8.250 nan 0.000 0.444 51 V N 1.870 121.774 119.914 -0.016 0.000 2.295 51 V HA -0.230 3.890 4.120 0.000 0.000 0.246 51 V C 1.986 178.072 176.094 -0.013 0.000 1.049 51 V CA 1.766 64.069 62.300 0.005 0.000 1.024 51 V CB -0.496 31.345 31.823 0.030 0.000 0.648 51 V HN 0.335 nan 8.190 nan 0.000 0.447 52 E N -0.100 120.059 120.200 -0.068 0.000 2.219 52 E HA -0.260 4.090 4.350 0.000 0.000 0.198 52 E C 2.119 178.641 176.600 -0.130 0.000 0.998 52 E CA 1.411 57.707 56.400 -0.172 0.000 0.818 52 E CB -0.112 29.368 29.700 -0.367 0.000 0.741 52 E HN 0.714 nan 8.360 nan 0.000 0.477 53 E N 1.095 121.242 120.200 -0.089 0.000 1.999 53 E HA -0.165 4.185 4.350 0.000 0.000 0.194 53 E C 2.023 178.591 176.600 -0.052 0.000 0.995 53 E CA 0.996 57.357 56.400 -0.065 0.000 0.825 53 E CB -0.053 29.616 29.700 -0.052 0.000 0.777 53 E HN 0.111 nan 8.360 nan 0.000 0.459 54 K N 0.454 120.826 120.400 -0.047 0.000 2.173 54 K HA -0.181 4.139 4.320 0.000 0.000 0.207 54 K C 2.073 178.615 176.600 -0.097 0.000 1.046 54 K CA 1.009 57.262 56.287 -0.058 0.000 0.929 54 K CB -0.103 32.374 32.500 -0.037 0.000 0.720 54 K HN 0.156 nan 8.250 nan 0.000 0.453 55 I N 1.147 121.672 120.570 -0.076 0.000 2.353 55 I HA -0.206 3.964 4.170 0.000 0.000 0.248 55 I C 2.533 178.409 176.117 -0.401 0.000 1.119 55 I CA 1.367 62.556 61.300 -0.184 0.000 1.417 55 I CB -0.833 37.204 38.000 0.063 0.000 1.078 55 I HN 0.227 nan 8.210 nan 0.000 0.421 56 Q N 1.520 121.285 119.800 -0.059 0.000 1.993 56 Q HA -0.246 4.094 4.340 0.000 0.000 0.202 56 Q C 2.143 178.109 176.000 -0.057 0.000 0.984 56 Q CA 2.133 57.982 55.803 0.076 0.000 0.837 56 Q CB -0.461 28.355 28.738 0.130 0.000 0.902 56 Q HN 0.451 nan 8.270 nan 0.000 0.423 57 E N -1.015 119.138 120.200 -0.078 0.000 2.169 57 E HA -0.241 4.109 4.350 0.000 0.000 0.202 57 E C 1.772 178.290 176.600 -0.138 0.000 1.016 57 E CA 1.740 58.087 56.400 -0.089 0.000 0.817 57 E CB -0.074 29.578 29.700 -0.080 0.000 0.736 57 E HN 0.295 nan 8.360 nan 0.000 0.462 58 V N 0.307 120.091 119.914 -0.217 0.000 2.237 58 V HA -0.257 3.863 4.120 0.000 0.000 0.245 58 V C 2.051 178.067 176.094 -0.130 0.000 1.046 58 V CA 1.998 64.155 62.300 -0.239 0.000 1.007 58 V CB -0.674 30.947 31.823 -0.336 0.000 0.638 58 V HN 0.272 nan 8.190 nan 0.000 0.445 59 F N 1.152 121.098 119.950 -0.007 0.000 2.069 59 F HA -0.173 4.354 4.527 0.000 0.000 0.298 59 F C 2.793 178.595 175.800 0.004 0.000 1.113 59 F CA 1.627 59.646 58.000 0.031 0.000 1.214 59 F CB -1.702 37.267 39.000 -0.051 0.000 0.978 59 F HN 0.062 nan 8.300 nan 0.000 0.474 60 S N -0.828 114.949 115.700 0.128 0.000 2.419 60 S HA -0.180 4.290 4.470 0.000 0.000 0.235 60 S C 1.458 175.956 174.600 -0.169 0.000 1.019 60 S CA 1.006 59.202 58.200 -0.008 0.000 0.982 60 S CB -0.681 62.501 63.200 -0.029 0.000 0.789 60 S HN 0.274 nan 8.310 nan 0.000 0.490 61 S N 0.545 116.083 115.700 -0.271 0.000 3.806 61 S HA 0.076 4.547 4.470 0.000 0.000 0.218 61 S C -0.364 173.752 174.600 -0.807 0.000 1.146 61 S CA -0.151 57.772 58.200 -0.462 0.000 1.030 61 S CB -0.667 62.320 63.200 -0.356 0.000 1.617 61 S HN 0.469 nan 8.310 nan 0.000 0.487 62 Y N 0.522 120.572 120.300 -0.417 0.000 2.978 62 Y HA 0.271 4.821 4.550 0.000 0.000 0.304 62 Y C 0.265 175.870 175.900 -0.492 0.000 0.957 62 Y CA -0.712 57.194 58.100 -0.323 0.000 1.204 62 Y CB 0.175 38.316 38.460 -0.532 0.000 1.428 62 Y HN 0.307 nan 8.280 nan 0.000 0.584 63 K N 2.025 121.983 120.400 -0.736 0.000 2.150 63 K HA 0.360 4.680 4.320 0.000 0.000 0.261 63 K C -0.750 175.466 176.600 -0.641 0.000 1.127 63 K CA 0.167 56.137 56.287 -0.528 0.000 0.989 63 K CB -0.222 32.062 32.500 -0.361 0.000 1.475 63 K HN 0.283 nan 8.250 nan 0.000 0.391 64 F N -1.890 118.095 119.950 0.059 0.000 1.756 64 F HA -0.078 4.449 4.527 0.000 0.000 0.443 64 F C -0.763 175.082 175.800 0.074 0.000 0.962 64 F CA -1.003 57.027 58.000 0.051 0.000 0.902 64 F CB -0.714 38.306 39.000 0.033 0.000 1.456 64 F HN 0.284 nan 8.300 nan 0.000 0.357 65 N N 0.693 119.850 118.700 0.761 0.000 2.367 65 N HA 0.488 5.228 4.740 0.000 0.000 0.278 65 N C -1.757 174.064 175.510 0.518 0.000 1.117 65 N CA -0.191 53.121 53.050 0.436 0.000 0.867 65 N CB 2.497 41.128 38.487 0.240 0.000 1.649 65 N HN 0.415 nan 8.380 nan 0.000 0.479 66 H N 0.688 119.880 119.070 0.203 0.000 3.410 66 H HA 0.211 4.767 4.556 0.000 0.000 0.245 66 H C -0.968 174.388 175.328 0.047 0.000 1.269 66 H CA -0.377 55.753 56.048 0.137 0.000 1.402 66 H CB -0.124 29.695 29.762 0.095 0.000 2.429 66 H HN 0.536 nan 8.280 nan 0.000 0.604 67 L N 1.203 122.415 121.223 -0.019 0.000 2.194 67 L HA 0.434 4.774 4.340 0.000 0.000 0.197 67 L C -0.167 176.618 176.870 -0.141 0.000 1.106 67 L CA 1.236 56.036 54.840 -0.068 0.000 0.785 67 L CB 0.328 42.382 42.059 -0.007 0.000 0.960 67 L HN 0.210 nan 8.230 nan 0.000 0.465 68 V N 2.148 122.009 119.914 -0.088 0.000 2.225 68 V HA 0.363 4.484 4.120 0.000 0.000 0.264 68 V C -2.098 173.961 176.094 -0.058 0.000 1.067 68 V CA -1.468 60.782 62.300 -0.084 0.000 0.903 68 V CB -0.166 31.634 31.823 -0.037 0.000 1.136 68 V HN 0.309 nan 8.190 nan 0.000 0.456 69 P HA 0.048 nan 4.420 nan 0.000 0.267 69 P C 0.524 177.872 177.300 0.079 0.000 1.195 69 P CA -0.204 62.890 63.100 -0.010 0.000 0.773 69 P CB 0.520 32.089 31.700 -0.219 0.000 0.837 70 R N 1.527 122.141 120.500 0.190 0.000 2.389 70 R HA 0.036 4.376 4.340 0.000 0.000 0.210 70 R C 0.563 176.937 176.300 0.123 0.000 1.157 70 R CA 0.187 56.371 56.100 0.140 0.000 1.169 70 R CB -0.920 29.472 30.300 0.154 0.000 1.004 70 R HN 0.368 nan 8.270 nan 0.000 0.482 71 L N 1.285 122.565 121.223 0.096 0.000 2.858 71 L HA 0.064 4.404 4.340 0.000 0.000 0.243 71 L C -0.404 176.502 176.870 0.061 0.000 1.416 71 L CA 0.530 55.417 54.840 0.079 0.000 1.182 71 L CB -0.924 41.156 42.059 0.035 0.000 1.564 71 L HN -0.035 nan 8.230 nan 0.000 0.436 72 V N 0.932 120.887 119.914 0.068 0.000 3.019 72 V HA 0.438 4.558 4.120 0.000 0.000 0.317 72 V C -0.223 175.914 176.094 0.072 0.000 1.094 72 V CA -1.048 61.284 62.300 0.053 0.000 1.000 72 V CB 2.881 34.725 31.823 0.035 0.000 1.060 72 V HN 0.187 nan 8.190 nan 0.000 0.443 73 L N 2.695 123.960 121.223 0.070 0.000 2.318 73 L HA 0.487 4.827 4.340 0.000 0.000 0.277 73 L C 0.300 177.205 176.870 0.058 0.000 1.008 73 L CA -0.225 54.683 54.840 0.113 0.000 0.846 73 L CB 1.522 43.656 42.059 0.125 0.000 1.220 73 L HN 0.616 nan 8.230 nan 0.000 0.423 74 Q N 4.876 124.649 119.800 -0.045 0.000 2.605 74 Q HA -0.050 4.290 4.340 0.000 0.000 0.184 74 Q C 0.980 176.833 176.000 -0.246 0.000 1.188 74 Q CA 0.230 55.840 55.803 -0.322 0.000 0.906 74 Q CB -0.485 27.769 28.738 -0.805 0.000 1.695 74 Q HN 0.596 nan 8.270 nan 0.000 0.479 75 R N 0.984 121.467 120.500 -0.028 0.000 2.122 75 R HA -0.220 4.120 4.340 0.000 0.000 0.236 75 R C 1.777 178.114 176.300 0.062 0.000 1.129 75 R CA 1.729 57.854 56.100 0.042 0.000 0.925 75 R CB -0.274 30.030 30.300 0.007 0.000 0.850 75 R HN 0.413 nan 8.270 nan 0.000 0.431 76 E N 0.766 120.981 120.200 0.024 0.000 2.072 76 E HA -0.118 4.233 4.350 0.000 0.000 0.191 76 E C 1.859 178.561 176.600 0.171 0.000 0.985 76 E CA 1.219 57.683 56.400 0.106 0.000 0.801 76 E CB 0.051 29.776 29.700 0.043 0.000 0.750 76 E HN -0.004 nan 8.360 nan 0.000 0.452 77 K N -0.049 120.351 120.400 -0.001 0.000 2.097 77 K HA -0.130 4.190 4.320 0.000 0.000 0.206 77 K C 1.963 178.599 176.600 0.060 0.000 1.049 77 K CA 1.292 57.559 56.287 -0.034 0.000 0.933 77 K CB -0.407 31.980 32.500 -0.188 0.000 0.717 77 K HN 0.409 nan 8.250 nan 0.000 0.442 78 H N -1.245 117.946 119.070 0.202 0.000 2.502 78 H HA -0.044 4.512 4.556 0.000 0.000 0.283 78 H C 1.859 177.360 175.328 0.290 0.000 1.015 78 H CA 0.462 56.657 56.048 0.246 0.000 1.298 78 H CB -0.413 29.465 29.762 0.193 0.000 1.411 78 H HN 0.123 nan 8.280 nan 0.000 0.556 79 F N 1.817 121.895 119.950 0.214 0.000 2.102 79 F HA -0.221 4.306 4.527 0.000 0.000 0.298 79 F C 2.755 178.651 175.800 0.160 0.000 1.105 79 F CA 1.829 59.915 58.000 0.144 0.000 1.239 79 F CB -0.471 38.581 39.000 0.088 0.000 0.991 79 F HN 0.137 nan 8.300 nan 0.000 0.474 80 H N -1.023 118.012 119.070 -0.059 0.000 2.290 80 H HA -0.266 4.290 4.556 0.000 0.000 0.298 80 H C 2.189 177.482 175.328 -0.058 0.000 1.087 80 H CA 2.547 58.501 56.048 -0.157 0.000 1.291 80 H CB -1.149 28.626 29.762 0.022 0.000 1.369 80 H HN 0.384 nan 8.280 nan 0.000 0.492 81 Y N 0.765 121.044 120.300 -0.035 0.000 2.102 81 Y HA -0.260 4.291 4.550 0.000 0.000 0.280 81 Y C 2.247 178.193 175.900 0.076 0.000 1.178 81 Y CA 2.132 60.248 58.100 0.027 0.000 1.146 81 Y CB -0.623 37.925 38.460 0.146 0.000 0.968 81 Y HN 0.280 nan 8.280 nan 0.000 0.504 82 L N -0.254 120.926 121.223 -0.072 0.000 2.068 82 L HA -0.143 4.197 4.340 0.000 0.000 0.204 82 L C 2.573 179.196 176.870 -0.412 0.000 1.076 82 L CA 1.592 56.273 54.840 -0.265 0.000 0.753 82 L CB -0.713 41.284 42.059 -0.103 0.000 0.910 82 L HN 0.089 nan 8.230 nan 0.000 0.439 83 K N 0.747 120.817 120.400 -0.550 0.000 2.009 83 K HA -0.256 4.064 4.320 0.000 0.000 0.210 83 K C 2.364 178.694 176.600 -0.450 0.000 1.049 83 K CA 1.726 57.643 56.287 -0.617 0.000 0.929 83 K CB -0.013 31.812 32.500 -1.125 0.000 0.714 83 K HN 0.094 nan 8.250 nan 0.000 0.440 84 R N -0.322 119.892 120.500 -0.477 0.000 2.056 84 R HA -0.068 4.272 4.340 0.000 0.000 0.227 84 R C 2.405 178.508 176.300 -0.328 0.000 1.149 84 R CA 1.665 57.534 56.100 -0.386 0.000 0.937 84 R CB -0.822 29.176 30.300 -0.503 0.000 0.835 84 R HN 0.381 nan 8.270 nan 0.000 0.430 85 G N 1.564 110.170 108.800 -0.323 0.000 2.517 85 G HA2 -0.297 3.663 3.960 0.000 0.000 0.222 85 G HA3 -0.297 3.663 3.960 0.000 0.000 0.222 85 G C 1.279 175.827 174.900 -0.587 0.000 1.109 85 G CA 0.952 45.817 45.100 -0.392 0.000 0.746 85 G HN 0.353 nan 8.290 nan 0.000 0.576 86 L N -0.304 120.592 121.223 -0.545 0.000 2.275 86 L HA 0.231 4.571 4.340 0.000 0.000 0.215 86 L C 2.387 179.052 176.870 -0.342 0.000 1.119 86 L CA 1.634 56.200 54.840 -0.456 0.000 0.790 86 L CB -0.170 41.666 42.059 -0.372 0.000 0.919 86 L HN 0.156 nan 8.230 nan 0.000 0.443 87 R N -0.928 119.398 120.500 -0.290 0.000 2.282 87 R HA 0.282 4.622 4.340 0.000 0.000 0.195 87 R C -0.053 176.125 176.300 -0.204 0.000 0.909 87 R CA 0.224 56.188 56.100 -0.225 0.000 1.039 87 R CB 0.321 30.515 30.300 -0.176 0.000 1.015 87 R HN 0.528 nan 8.270 nan 0.000 0.513 88 Q N -0.228 119.447 119.800 -0.208 0.000 2.503 88 Q HA 0.319 4.659 4.340 0.000 0.000 0.268 88 Q C -1.972 173.942 176.000 -0.143 0.000 0.982 88 Q CA -0.615 55.095 55.803 -0.155 0.000 0.907 88 Q CB 1.195 29.872 28.738 -0.101 0.000 1.467 88 Q HN 0.091 nan 8.270 nan 0.000 0.394 89 L N 2.306 123.468 121.223 -0.102 0.000 2.408 89 L HA 0.523 4.863 4.340 0.000 0.000 0.268 89 L C 0.373 177.293 176.870 0.084 0.000 0.986 89 L CA -0.884 53.925 54.840 -0.052 0.000 0.820 89 L CB 2.215 44.143 42.059 -0.218 0.000 1.303 89 L HN 0.889 nan 8.230 nan 0.000 0.411 90 T N -3.072 111.583 114.554 0.167 0.000 2.734 90 T HA -0.044 4.306 4.350 0.000 0.000 0.314 90 T C 1.068 175.871 174.700 0.171 0.000 1.057 90 T CA -0.011 62.181 62.100 0.153 0.000 1.047 90 T CB 0.465 69.421 68.868 0.148 0.000 0.991 90 T HN 0.806 nan 8.240 nan 0.000 0.540 91 D N 0.264 120.728 120.400 0.108 0.000 2.354 91 D HA -0.148 4.492 4.640 0.000 0.000 0.216 91 D C 1.992 178.344 176.300 0.087 0.000 0.970 91 D CA 1.180 55.233 54.000 0.088 0.000 0.905 91 D CB -0.619 40.214 40.800 0.055 0.000 0.903 91 D HN 0.691 nan 8.370 nan 0.000 0.508 92 A N 0.366 123.243 122.820 0.094 0.000 1.902 92 A HA -0.191 4.129 4.320 0.000 0.000 0.217 92 A C 1.739 179.298 177.584 -0.041 0.000 1.181 92 A CA 0.923 52.969 52.037 0.015 0.000 0.623 92 A CB -1.336 17.662 19.000 -0.004 0.000 0.818 92 A HN 0.295 nan 8.150 nan 0.000 0.443 93 Y N 0.704 121.046 120.300 0.071 0.000 2.665 93 Y HA -0.037 4.513 4.550 0.000 0.000 0.320 93 Y C 1.958 177.905 175.900 0.079 0.000 1.204 93 Y CA 0.861 59.018 58.100 0.094 0.000 1.315 93 Y CB -0.504 38.032 38.460 0.127 0.000 1.033 93 Y HN 0.491 nan 8.280 nan 0.000 0.509 94 E N -0.799 119.470 120.200 0.115 0.000 2.267 94 E HA -0.233 4.117 4.350 0.000 0.000 0.197 94 E C 2.085 178.728 176.600 0.072 0.000 0.998 94 E CA 1.290 57.744 56.400 0.090 0.000 0.830 94 E CB -0.181 29.554 29.700 0.057 0.000 0.751 94 E HN 0.690 nan 8.360 nan 0.000 0.491 95 C N -1.113 118.213 119.300 0.043 0.000 2.481 95 C HA 0.143 4.603 4.460 0.000 0.000 0.275 95 C C 1.928 176.966 174.990 0.079 0.000 1.419 95 C CA -0.316 58.724 59.018 0.036 0.000 1.773 95 C CB -0.779 26.955 27.740 -0.010 0.000 1.862 95 C HN 0.239 nan 8.230 nan 0.000 0.530 96 L N 1.378 122.686 121.223 0.142 0.000 2.607 96 L HA 0.117 4.457 4.340 0.000 0.000 0.228 96 L C 2.098 179.081 176.870 0.189 0.000 1.123 96 L CA 0.702 55.669 54.840 0.212 0.000 0.890 96 L CB -0.705 41.583 42.059 0.382 0.000 1.103 96 L HN 0.292 nan 8.230 nan 0.000 0.468 97 D N 2.308 122.796 120.400 0.147 0.000 2.200 97 D HA -0.244 4.396 4.640 0.000 0.000 0.192 97 D C 1.271 177.639 176.300 0.114 0.000 1.008 97 D CA 1.634 55.708 54.000 0.123 0.000 0.872 97 D CB 0.289 41.142 40.800 0.088 0.000 0.923 97 D HN 0.273 nan 8.370 nan 0.000 0.447 98 A N -1.117 121.761 122.820 0.097 0.000 3.249 98 A HA 0.601 4.921 4.320 0.000 0.000 0.297 98 A C 0.014 177.651 177.584 0.088 0.000 1.302 98 A CA -0.227 51.854 52.037 0.074 0.000 1.074 98 A CB 0.420 19.443 19.000 0.038 0.000 1.132 98 A HN 0.045 nan 8.150 nan 0.000 0.575 99 S N -0.731 115.055 115.700 0.144 0.000 3.868 99 S HA 0.061 4.531 4.470 0.000 0.000 0.115 99 S C 1.093 175.832 174.600 0.231 0.000 0.838 99 S CA -0.476 57.850 58.200 0.211 0.000 0.958 99 S CB -0.333 62.993 63.200 0.211 0.000 1.035 99 S HN 0.699 nan 8.310 nan 0.000 0.700 100 R N 1.706 122.327 120.500 0.202 0.000 2.127 100 R HA -0.069 4.271 4.340 0.000 0.000 0.238 100 R C -1.197 175.212 176.300 0.182 0.000 1.134 100 R CA 1.590 57.817 56.100 0.212 0.000 0.975 100 R CB -1.125 29.348 30.300 0.288 0.000 0.865 100 R HN 0.335 nan 8.270 nan 0.000 0.447 101 P HA -0.156 nan 4.420 nan 0.000 0.218 101 P C 0.409 177.623 177.300 -0.144 0.000 1.149 101 P CA 1.012 64.107 63.100 -0.008 0.000 0.817 101 P CB -0.074 31.544 31.700 -0.138 0.000 0.785 102 W N -0.392 120.749 121.300 -0.265 0.000 2.335 102 W HA -0.101 4.560 4.660 0.000 0.000 0.311 102 W C 2.117 178.234 176.519 -0.670 0.000 1.213 102 W CA 0.838 57.810 57.345 -0.621 0.000 1.274 102 W CB -1.160 27.742 29.460 -0.930 0.000 1.148 102 W HN -0.160 nan 8.180 nan 0.000 0.498 103 L N -0.689 120.505 121.223 -0.049 0.000 2.351 103 L HA -0.311 4.029 4.340 0.000 0.000 0.220 103 L C 2.020 178.846 176.870 -0.074 0.000 1.127 103 L CA 0.963 55.869 54.840 0.110 0.000 0.786 103 L CB -0.670 41.454 42.059 0.108 0.000 0.914 103 L HN 0.193 nan 8.230 nan 0.000 0.443 104 C N -2.017 117.216 119.300 -0.112 0.000 2.544 104 C HA -0.136 4.324 4.460 0.000 0.000 0.280 104 C C 2.614 177.521 174.990 -0.140 0.000 1.295 104 C CA 0.010 58.942 59.018 -0.143 0.000 1.702 104 C CB -0.711 26.969 27.740 -0.100 0.000 2.090 104 C HN 0.566 nan 8.230 nan 0.000 0.493 105 Y N 1.131 121.250 120.300 -0.302 0.000 2.151 105 Y HA -0.247 4.303 4.550 0.000 0.000 0.284 105 Y C 2.329 178.142 175.900 -0.145 0.000 1.166 105 Y CA 1.614 59.513 58.100 -0.334 0.000 1.163 105 Y CB -0.613 37.482 38.460 -0.608 0.000 0.974 105 Y HN 0.412 nan 8.280 nan 0.000 0.511 106 W N 0.377 121.484 121.300 -0.323 0.000 2.354 106 W HA -0.211 4.449 4.660 0.000 0.000 0.315 106 W C 2.553 178.849 176.519 -0.373 0.000 1.206 106 W CA 1.469 58.543 57.345 -0.451 0.000 1.290 106 W CB -1.267 28.133 29.460 -0.100 0.000 1.152 106 W HN 0.182 nan 8.180 nan 0.000 0.489 107 I N 0.149 120.679 120.570 -0.068 0.000 2.076 107 I HA -0.369 3.801 4.170 0.000 0.000 0.237 107 I C 2.577 178.591 176.117 -0.173 0.000 1.059 107 I CA 1.411 62.596 61.300 -0.192 0.000 1.317 107 I CB -1.088 36.698 38.000 -0.357 0.000 1.037 107 I HN -0.157 nan 8.210 nan 0.000 0.398 108 L N -0.097 121.023 121.223 -0.172 0.000 2.021 108 L HA -0.335 4.005 4.340 0.000 0.000 0.215 108 L C 2.709 179.501 176.870 -0.131 0.000 1.074 108 L CA 1.867 56.627 54.840 -0.134 0.000 0.760 108 L CB -0.952 41.042 42.059 -0.108 0.000 0.889 108 L HN 0.419 nan 8.230 nan 0.000 0.433 109 H N -0.161 118.731 119.070 -0.296 0.000 2.269 109 H HA -0.154 4.402 4.556 0.000 0.000 0.299 109 H C 2.416 177.618 175.328 -0.210 0.000 1.058 109 H CA 2.018 57.890 56.048 -0.293 0.000 1.246 109 H CB -0.329 29.099 29.762 -0.558 0.000 1.376 109 H HN 0.102 nan 8.280 nan 0.000 0.503 110 S N 0.493 116.033 115.700 -0.266 0.000 2.434 110 S HA -0.284 4.186 4.470 0.000 0.000 0.250 110 S C 2.328 176.816 174.600 -0.187 0.000 1.102 110 S CA 1.780 59.845 58.200 -0.225 0.000 1.104 110 S CB -0.674 62.469 63.200 -0.095 0.000 0.957 110 S HN 0.360 nan 8.310 nan 0.000 0.456 111 L N 1.299 122.443 121.223 -0.132 0.000 1.955 111 L HA -0.223 4.117 4.340 0.000 0.000 0.213 111 L C 2.878 179.684 176.870 -0.106 0.000 1.072 111 L CA 2.101 56.910 54.840 -0.052 0.000 0.755 111 L CB -1.053 40.995 42.059 -0.017 0.000 0.888 111 L HN 0.550 nan 8.230 nan 0.000 0.432 112 E N 0.746 120.847 120.200 -0.165 0.000 2.108 112 E HA -0.283 4.067 4.350 0.000 0.000 0.203 112 E C 2.202 178.686 176.600 -0.193 0.000 1.022 112 E CA 1.661 57.962 56.400 -0.165 0.000 0.823 112 E CB -0.636 28.963 29.700 -0.168 0.000 0.744 112 E HN 0.466 nan 8.360 nan 0.000 0.456 113 L N 0.550 121.576 121.223 -0.329 0.000 1.971 113 L HA -0.220 4.120 4.340 0.000 0.000 0.215 113 L C 2.898 179.698 176.870 -0.117 0.000 1.072 113 L CA 1.509 56.198 54.840 -0.253 0.000 0.758 113 L CB -0.605 41.270 42.059 -0.307 0.000 0.889 113 L HN 0.251 nan 8.230 nan 0.000 0.433 114 L N -0.726 120.447 121.223 -0.083 0.000 2.131 114 L HA -0.168 4.172 4.340 0.000 0.000 0.210 114 L C 0.255 177.110 176.870 -0.025 0.000 1.092 114 L CA 0.802 55.633 54.840 -0.014 0.000 0.759 114 L CB -0.449 41.638 42.059 0.045 0.000 0.903 114 L HN 0.422 nan 8.230 nan 0.000 0.435 115 D N 0.470 120.841 120.400 -0.047 0.000 3.360 115 D HA -0.133 4.507 4.640 0.000 0.000 0.253 115 D C -0.582 175.680 176.300 -0.063 0.000 1.039 115 D CA 0.270 54.240 54.000 -0.048 0.000 0.980 115 D CB -0.404 40.375 40.800 -0.035 0.000 0.986 115 D HN 0.177 nan 8.370 nan 0.000 0.422 116 E N 2.482 122.651 120.200 -0.052 0.000 2.241 116 E HA 0.372 4.722 4.350 0.000 0.000 0.263 116 E C -2.219 174.365 176.600 -0.027 0.000 0.882 116 E CA -1.661 54.697 56.400 -0.070 0.000 0.769 116 E CB 1.859 31.550 29.700 -0.016 0.000 1.185 116 E HN 0.230 nan 8.360 nan 0.000 0.415 117 P HA 0.150 nan 4.420 nan 0.000 0.268 117 P C -0.158 177.140 177.300 -0.002 0.000 1.204 117 P CA -0.385 62.701 63.100 -0.023 0.000 0.768 117 P CB 0.706 32.389 31.700 -0.028 0.000 0.842 118 I N 6.266 126.828 120.570 -0.014 0.000 2.379 118 I HA 0.195 4.365 4.170 0.000 0.000 0.290 118 I C -1.805 174.301 176.117 -0.018 0.000 1.063 118 I CA -2.330 58.962 61.300 -0.014 0.000 1.351 118 I CB -0.341 37.635 38.000 -0.039 0.000 1.410 118 I HN 0.201 nan 8.210 nan 0.000 0.505 119 P HA -0.023 nan 4.420 nan 0.000 0.258 119 P C 0.120 177.404 177.300 -0.026 0.000 1.172 119 P CA 0.148 63.241 63.100 -0.012 0.000 0.762 119 P CB 0.236 31.933 31.700 -0.005 0.000 0.764 120 Q N 2.170 121.955 119.800 -0.025 0.000 2.561 120 Q HA -0.098 4.242 4.340 0.000 0.000 0.217 120 Q C 1.397 177.380 176.000 -0.028 0.000 0.980 120 Q CA 0.544 56.328 55.803 -0.030 0.000 0.927 120 Q CB -0.266 28.456 28.738 -0.027 0.000 0.980 120 Q HN 0.604 nan 8.270 nan 0.000 0.525 121 I N -0.982 119.572 120.570 -0.026 0.000 3.081 121 I HA -0.132 4.038 4.170 0.000 0.000 0.274 121 I C 1.862 177.960 176.117 -0.032 0.000 1.178 121 I CA 0.283 61.568 61.300 -0.025 0.000 1.460 121 I CB 0.366 38.353 38.000 -0.021 0.000 1.137 121 I HN 0.104 nan 8.210 nan 0.000 0.443 122 V N -0.142 119.748 119.914 -0.040 0.000 2.379 122 V HA -0.065 4.055 4.120 0.000 0.000 0.245 122 V C 2.688 178.753 176.094 -0.049 0.000 1.044 122 V CA 1.379 63.647 62.300 -0.052 0.000 1.036 122 V CB -1.839 29.943 31.823 -0.068 0.000 0.664 122 V HN 0.343 nan 8.190 nan 0.000 0.453 123 A N 1.137 123.928 122.820 -0.050 0.000 1.923 123 A HA -0.340 3.980 4.320 0.000 0.000 0.222 123 A C 2.342 179.900 177.584 -0.044 0.000 1.258 123 A CA 3.568 55.572 52.037 -0.055 0.000 0.670 123 A CB -1.717 17.249 19.000 -0.056 0.000 0.834 123 A HN 0.625 nan 8.150 nan 0.000 0.470 124 T N -0.095 114.440 114.554 -0.031 0.000 2.588 124 T HA -0.133 4.218 4.350 0.000 0.000 0.261 124 T C 1.595 176.294 174.700 -0.003 0.000 1.069 124 T CA 1.326 63.416 62.100 -0.017 0.000 1.172 124 T CB -0.616 68.245 68.868 -0.012 0.000 0.863 124 T HN 0.553 nan 8.240 nan 0.000 0.408 125 D N 0.987 121.383 120.400 -0.006 0.000 2.191 125 D HA -0.142 4.498 4.640 0.000 0.000 0.190 125 D C 2.236 178.559 176.300 0.039 0.000 1.007 125 D CA 1.161 55.166 54.000 0.008 0.000 0.865 125 D CB -0.701 40.082 40.800 -0.028 0.000 0.929 125 D HN 0.212 nan 8.370 nan 0.000 0.447 126 V N 1.350 121.267 119.914 0.005 0.000 2.220 126 V HA -0.320 3.800 4.120 0.000 0.000 0.246 126 V C 2.918 179.054 176.094 0.070 0.000 1.049 126 V CA 1.879 64.194 62.300 0.025 0.000 1.003 126 V CB -0.898 30.903 31.823 -0.036 0.000 0.634 126 V HN 0.316 nan 8.190 nan 0.000 0.444 127 C N -0.498 118.813 119.300 0.018 0.000 2.393 127 C HA -0.256 4.204 4.460 0.000 0.000 0.276 127 C C 2.849 177.871 174.990 0.053 0.000 1.215 127 C CA 1.319 60.348 59.018 0.018 0.000 1.743 127 C CB -1.353 26.384 27.740 -0.006 0.000 2.044 127 C HN 0.606 nan 8.230 nan 0.000 0.464 128 Q N -0.935 118.899 119.800 0.057 0.000 2.248 128 Q HA -0.224 4.116 4.340 0.000 0.000 0.208 128 Q C 1.947 178.008 176.000 0.102 0.000 0.984 128 Q CA 1.629 57.470 55.803 0.063 0.000 0.875 128 Q CB -0.289 28.483 28.738 0.056 0.000 0.910 128 Q HN 0.793 nan 8.270 nan 0.000 0.433 129 F N 0.847 120.787 119.950 -0.016 0.000 2.074 129 F HA -0.109 4.418 4.527 0.000 0.000 0.290 129 F C 1.831 177.643 175.800 0.019 0.000 1.118 129 F CA 1.064 59.056 58.000 -0.013 0.000 1.199 129 F CB -0.456 38.522 39.000 -0.037 0.000 1.012 129 F HN -0.078 nan 8.300 nan 0.000 0.472 130 L N 0.289 121.483 121.223 -0.048 0.000 2.137 130 L HA -0.272 4.068 4.340 0.000 0.000 0.213 130 L C 2.389 179.324 176.870 0.108 0.000 1.085 130 L CA 2.013 56.822 54.840 -0.053 0.000 0.760 130 L CB -0.988 41.040 42.059 -0.052 0.000 0.893 130 L HN 0.329 nan 8.230 nan 0.000 0.434 131 E N 0.617 120.848 120.200 0.051 0.000 2.265 131 E HA -0.192 4.158 4.350 0.000 0.000 0.196 131 E C 2.210 178.752 176.600 -0.097 0.000 0.996 131 E CA 0.694 57.105 56.400 0.019 0.000 0.832 131 E CB 0.055 29.764 29.700 0.014 0.000 0.756 131 E HN 0.537 nan 8.360 nan 0.000 0.491 132 L N -0.333 120.788 121.223 -0.170 0.000 2.418 132 L HA -0.049 4.291 4.340 0.000 0.000 0.218 132 L C 2.091 178.802 176.870 -0.265 0.000 1.125 132 L CA 0.097 54.806 54.840 -0.218 0.000 0.835 132 L CB 0.128 42.041 42.059 -0.243 0.000 0.953 132 L HN 0.356 nan 8.230 nan 0.000 0.454 133 C N -1.238 117.891 119.300 -0.283 0.000 2.507 133 C HA -0.046 4.414 4.460 0.000 0.000 0.280 133 C C 1.577 176.438 174.990 -0.216 0.000 1.345 133 C CA -0.494 58.400 59.018 -0.207 0.000 1.736 133 C CB -0.547 27.115 27.740 -0.131 0.000 2.060 133 C HN 0.418 nan 8.230 nan 0.000 0.498 134 Q N 2.353 121.923 119.800 -0.384 0.000 2.388 134 Q HA -0.007 4.333 4.340 0.000 0.000 0.302 134 Q C 0.362 176.079 176.000 -0.472 0.000 1.149 134 Q CA 0.179 55.458 55.803 -0.874 0.000 1.014 134 Q CB 0.379 28.416 28.738 -1.169 0.000 1.072 134 Q HN 0.562 nan 8.270 nan 0.000 0.395 135 S N 5.058 120.525 115.700 -0.388 0.000 2.572 135 S HA 0.161 4.631 4.470 0.000 0.000 0.279 135 S C -1.387 173.096 174.600 -0.194 0.000 1.341 135 S CA -1.110 56.959 58.200 -0.217 0.000 1.043 135 S CB 0.748 63.864 63.200 -0.140 0.000 0.887 135 S HN 0.693 nan 8.310 nan 0.000 0.516 136 P HA 0.018 nan 4.420 nan 0.000 0.231 136 P C -0.440 176.828 177.300 -0.053 0.000 1.158 136 P CA 0.750 63.801 63.100 -0.083 0.000 0.763 136 P CB -0.009 31.662 31.700 -0.048 0.000 0.805 137 D N 0.515 120.893 120.400 -0.037 0.000 3.068 137 D HA 0.324 4.964 4.640 0.000 0.000 0.327 137 D C 0.901 177.225 176.300 0.040 0.000 1.361 137 D CA 0.014 54.031 54.000 0.028 0.000 0.877 137 D CB 0.208 41.059 40.800 0.086 0.000 1.088 137 D HN 0.077 nan 8.370 nan 0.000 0.489 138 G N 0.409 109.170 108.800 -0.066 0.000 2.870 138 G HA2 0.246 4.206 3.960 0.000 0.000 0.685 138 G HA3 0.246 4.206 3.960 0.000 0.000 0.685 138 G C 0.473 175.108 174.900 -0.443 0.000 1.556 138 G CA -0.202 44.827 45.100 -0.119 0.000 1.042 138 G HN 0.880 nan 8.290 nan 0.000 0.592 139 G N -0.543 108.003 108.800 -0.423 0.000 2.855 139 G HA2 0.289 4.249 3.960 0.000 0.000 0.352 139 G HA3 0.289 4.249 3.960 0.000 0.000 0.352 139 G C -0.280 174.344 174.900 -0.459 0.000 1.415 139 G CA 0.273 45.090 45.100 -0.472 0.000 0.871 139 G HN 1.751 nan 8.290 nan 0.000 0.543 140 F N -0.080 119.700 119.950 -0.283 0.000 2.618 140 F HA 0.778 5.305 4.527 0.000 0.000 0.332 140 F C 1.089 176.805 175.800 -0.141 0.000 1.061 140 F CA 0.105 57.986 58.000 -0.198 0.000 0.974 140 F CB 1.977 40.869 39.000 -0.180 0.000 1.310 140 F HN 0.848 nan 8.300 nan 0.000 0.491 141 G N -0.666 108.172 108.800 0.064 0.000 2.511 141 G HA2 0.449 4.409 3.960 0.000 0.000 0.318 141 G HA3 0.449 4.409 3.960 0.000 0.000 0.318 141 G C 0.762 175.680 174.900 0.030 0.000 1.210 141 G CA -0.355 44.763 45.100 0.030 0.000 0.969 141 G HN 0.909 nan 8.290 nan 0.000 0.484 142 G N -0.778 108.038 108.800 0.027 0.000 2.507 142 G HA2 0.317 4.277 3.960 0.000 0.000 0.221 142 G HA3 0.317 4.277 3.960 0.000 0.000 0.221 142 G C 0.860 175.803 174.900 0.071 0.000 1.119 142 G CA 1.579 46.708 45.100 0.049 0.000 0.751 142 G HN 1.436 nan 8.290 nan 0.000 0.574 143 G N -1.994 106.818 108.800 0.021 0.000 2.488 143 G HA2 0.487 4.448 3.960 0.000 0.000 0.301 143 G HA3 0.487 4.448 3.960 0.000 0.000 0.301 143 G C -3.345 171.504 174.900 -0.085 0.000 1.339 143 G CA -0.942 44.171 45.100 0.021 0.000 0.803 143 G HN -0.094 nan 8.290 nan 0.000 0.482 144 P HA 0.299 nan 4.420 nan 0.000 0.257 144 P C 0.769 178.017 177.300 -0.087 0.000 1.189 144 P CA 2.136 65.164 63.100 -0.119 0.000 0.780 144 P CB 0.575 32.249 31.700 -0.044 0.000 0.772 145 G N 2.088 110.818 108.800 -0.116 0.000 2.171 145 G HA2 -0.222 3.738 3.960 0.000 0.000 0.238 145 G HA3 -0.222 3.738 3.960 0.000 0.000 0.238 145 G C -0.205 174.587 174.900 -0.180 0.000 1.039 145 G CA -0.504 44.518 45.100 -0.130 0.000 0.759 145 G HN 0.529 nan 8.290 nan 0.000 0.501 146 Q N -1.110 118.593 119.800 -0.161 0.000 2.348 146 Q HA 0.604 4.944 4.340 0.000 0.000 0.271 146 Q C -0.386 175.538 176.000 -0.128 0.000 1.067 146 Q CA -1.158 54.533 55.803 -0.187 0.000 0.839 146 Q CB 1.481 30.168 28.738 -0.085 0.000 1.354 146 Q HN 0.267 nan 8.270 nan 0.000 0.447 147 Y N 2.140 122.425 120.300 -0.024 0.000 2.597 147 Y HA 0.027 4.577 4.550 0.000 0.000 0.336 147 Y C -1.714 174.189 175.900 0.005 0.000 1.216 147 Y CA -1.518 56.577 58.100 -0.007 0.000 1.463 147 Y CB -0.351 38.112 38.460 0.005 0.000 1.303 147 Y HN 0.362 nan 8.280 nan 0.000 0.576 148 P HA -0.019 nan 4.420 nan 0.000 0.266 148 P C -0.679 176.734 177.300 0.189 0.000 1.195 148 P CA 0.629 63.698 63.100 -0.052 0.000 0.768 148 P CB 0.859 32.275 31.700 -0.474 0.000 0.838 149 H N 2.982 122.085 119.070 0.056 0.000 3.099 149 H HA 0.135 4.691 4.556 0.000 0.000 0.342 149 H C 0.852 176.305 175.328 0.209 0.000 1.054 149 H CA -0.525 55.672 56.048 0.249 0.000 1.328 149 H CB 1.087 30.985 29.762 0.226 0.000 1.876 149 H HN 0.213 nan 8.280 nan 0.000 0.495 150 L N 3.097 124.494 121.223 0.289 0.000 2.357 150 L HA -0.220 4.120 4.340 0.000 0.000 0.220 150 L C 2.262 179.318 176.870 0.310 0.000 1.123 150 L CA 1.502 56.481 54.840 0.232 0.000 0.782 150 L CB -0.535 41.575 42.059 0.085 0.000 0.910 150 L HN 0.576 nan 8.230 nan 0.000 0.442 151 A N 0.793 123.980 122.820 0.612 0.000 1.835 151 A HA -0.012 4.308 4.320 0.000 0.000 0.213 151 A C 0.041 177.852 177.584 0.379 0.000 1.210 151 A CA 0.970 53.392 52.037 0.640 0.000 0.605 151 A CB -1.672 17.809 19.000 0.802 0.000 0.860 151 A HN 0.246 nan 8.150 nan 0.000 0.447 152 P HA -0.180 nan 4.420 nan 0.000 0.215 152 P C 1.381 178.562 177.300 -0.198 0.000 1.157 152 P CA 2.169 65.245 63.100 -0.039 0.000 0.874 152 P CB -0.582 31.164 31.700 0.078 0.000 0.790 153 T N -0.761 113.797 114.554 0.006 0.000 2.685 153 T HA -0.243 4.107 4.350 0.000 0.000 0.268 153 T C 1.742 176.337 174.700 -0.175 0.000 1.034 153 T CA 1.820 63.917 62.100 -0.005 0.000 1.149 153 T CB -1.127 67.810 68.868 0.114 0.000 0.860 153 T HN 0.133 nan 8.240 nan 0.000 0.449 154 Y N 2.338 122.464 120.300 -0.290 0.000 2.092 154 Y HA 0.058 4.608 4.550 0.000 0.000 0.282 154 Y C 2.567 178.065 175.900 -0.671 0.000 1.126 154 Y CA 0.879 58.732 58.100 -0.411 0.000 1.111 154 Y CB -1.285 36.965 38.460 -0.350 0.000 0.987 154 Y HN 0.156 nan 8.280 nan 0.000 0.489 155 A N 1.477 123.585 122.820 -1.187 0.000 1.882 155 A HA -0.355 3.965 4.320 0.000 0.000 0.220 155 A C 2.532 179.510 177.584 -1.011 0.000 1.253 155 A CA 3.435 54.512 52.037 -1.600 0.000 0.664 155 A CB -1.866 16.046 19.000 -1.814 0.000 0.838 155 A HN 0.842 nan 8.150 nan 0.000 0.460 156 A N -1.161 121.179 122.820 -0.799 0.000 1.873 156 A HA -0.088 4.232 4.320 0.000 0.000 0.218 156 A C 2.308 179.462 177.584 -0.717 0.000 1.193 156 A CA 2.467 54.030 52.037 -0.789 0.000 0.629 156 A CB -1.225 17.024 19.000 -1.251 0.000 0.826 156 A HN 0.619 nan 8.150 nan 0.000 0.447 157 V N 0.563 120.069 119.914 -0.680 0.000 2.270 157 V HA -0.282 3.838 4.120 0.000 0.000 0.245 157 V C 2.329 178.228 176.094 -0.325 0.000 1.043 157 V CA 2.203 64.265 62.300 -0.396 0.000 1.014 157 V CB -1.156 30.529 31.823 -0.231 0.000 0.645 157 V HN 0.801 nan 8.190 nan 0.000 0.447 158 N N -0.187 118.217 118.700 -0.493 0.000 2.430 158 N HA -0.169 4.571 4.740 0.000 0.000 0.186 158 N C 1.638 176.943 175.510 -0.341 0.000 1.032 158 N CA 1.021 53.777 53.050 -0.490 0.000 0.893 158 N CB -0.031 37.792 38.487 -1.106 0.000 0.957 158 N HN 0.520 nan 8.380 nan 0.000 0.442 159 A N 0.924 123.526 122.820 -0.365 0.000 1.859 159 A HA 0.052 4.372 4.320 0.000 0.000 0.212 159 A C 2.063 179.551 177.584 -0.160 0.000 1.238 159 A CA 0.247 52.181 52.037 -0.172 0.000 0.613 159 A CB -0.796 18.074 19.000 -0.216 0.000 0.904 159 A HN 0.247 nan 8.150 nan 0.000 0.457 160 L N -0.214 120.883 121.223 -0.210 0.000 2.123 160 L HA -0.364 3.976 4.340 0.000 0.000 0.217 160 L C 2.624 179.370 176.870 -0.206 0.000 1.081 160 L CA 1.574 56.303 54.840 -0.184 0.000 0.772 160 L CB -0.649 41.322 42.059 -0.146 0.000 0.890 160 L HN 0.534 nan 8.230 nan 0.000 0.437 161 C N -0.568 118.653 119.300 -0.131 0.000 2.432 161 C HA -0.089 4.372 4.460 0.000 0.000 0.280 161 C C 2.646 177.574 174.990 -0.104 0.000 1.353 161 C CA 0.207 59.169 59.018 -0.094 0.000 1.766 161 C CB -0.685 27.087 27.740 0.053 0.000 1.924 161 C HN 0.444 nan 8.230 nan 0.000 0.509 162 I N 0.730 121.254 120.570 -0.076 0.000 2.315 162 I HA -0.177 3.993 4.170 0.000 0.000 0.248 162 I C 2.179 178.237 176.117 -0.099 0.000 1.117 162 I CA 1.675 62.949 61.300 -0.043 0.000 1.404 162 I CB -0.341 37.654 38.000 -0.008 0.000 1.071 162 I HN 0.311 nan 8.210 nan 0.000 0.419 163 I N 0.906 121.383 120.570 -0.154 0.000 2.394 163 I HA -0.105 4.065 4.170 0.000 0.000 0.251 163 I C 1.491 177.450 176.117 -0.263 0.000 1.136 163 I CA 0.692 61.883 61.300 -0.182 0.000 1.425 163 I CB -0.984 36.903 38.000 -0.190 0.000 1.079 163 I HN 0.368 nan 8.210 nan 0.000 0.425 164 G N 3.159 111.696 108.800 -0.439 0.000 2.332 164 G HA2 -0.254 3.706 3.960 0.000 0.000 0.277 164 G HA3 -0.254 3.706 3.960 0.000 0.000 0.277 164 G C 0.232 174.845 174.900 -0.478 0.000 0.884 164 G CA 0.822 45.526 45.100 -0.660 0.000 1.251 164 G HN 0.560 nan 8.290 nan 0.000 0.462 165 T N -3.037 111.159 114.554 -0.597 0.000 2.906 165 T HA 0.620 4.970 4.350 0.000 0.000 0.295 165 T C 0.768 175.387 174.700 -0.135 0.000 1.061 165 T CA -0.098 61.862 62.100 -0.234 0.000 1.000 165 T CB 2.046 70.817 68.868 -0.161 0.000 1.103 165 T HN 0.067 nan 8.240 nan 0.000 0.486 166 E N 0.370 120.564 120.200 -0.011 0.000 2.333 166 E HA -0.174 4.176 4.350 0.000 0.000 0.200 166 E C 1.612 178.238 176.600 0.044 0.000 1.010 166 E CA 1.659 58.086 56.400 0.045 0.000 0.841 166 E CB -0.053 29.665 29.700 0.029 0.000 0.757 166 E HN 0.827 nan 8.360 nan 0.000 0.508 167 E N -1.082 119.106 120.200 -0.019 0.000 2.042 167 E HA -0.039 4.311 4.350 0.000 0.000 0.189 167 E C 1.918 178.505 176.600 -0.022 0.000 0.974 167 E CA 0.723 57.115 56.400 -0.013 0.000 0.806 167 E CB -0.181 29.500 29.700 -0.032 0.000 0.769 167 E HN 0.266 nan 8.360 nan 0.000 0.451 168 A N 0.623 123.366 122.820 -0.129 0.000 1.835 168 A HA -0.196 4.124 4.320 0.000 0.000 0.215 168 A C 1.979 179.553 177.584 -0.017 0.000 1.199 168 A CA 1.665 53.611 52.037 -0.153 0.000 0.615 168 A CB -1.313 17.480 19.000 -0.344 0.000 0.838 168 A HN 0.439 nan 8.150 nan 0.000 0.444 169 Y N 0.715 121.033 120.300 0.030 0.000 2.219 169 Y HA -0.276 4.274 4.550 0.000 0.000 0.283 169 Y C 2.206 178.300 175.900 0.324 0.000 1.191 169 Y CA 1.823 60.021 58.100 0.164 0.000 1.199 169 Y CB -0.947 37.396 38.460 -0.194 0.000 0.972 169 Y HN 0.396 nan 8.280 nan 0.000 0.527 170 N N -0.880 118.018 118.700 0.329 0.000 2.457 170 N HA -0.069 4.671 4.740 0.000 0.000 0.180 170 N C 1.786 177.411 175.510 0.192 0.000 1.050 170 N CA 0.703 53.906 53.050 0.255 0.000 0.906 170 N CB -0.319 38.269 38.487 0.169 0.000 0.968 170 N HN 0.109 nan 8.380 nan 0.000 0.445 171 V N 1.374 121.391 119.914 0.172 0.000 2.287 171 V HA -0.168 3.952 4.120 0.000 0.000 0.248 171 V C 1.015 177.218 176.094 0.181 0.000 1.053 171 V CA 1.011 63.400 62.300 0.149 0.000 1.027 171 V CB -0.476 31.432 31.823 0.141 0.000 0.646 171 V HN 0.259 nan 8.190 nan 0.000 0.447 172 I N 2.125 122.839 120.570 0.240 0.000 2.598 172 I HA -0.017 4.153 4.170 0.000 0.000 0.284 172 I C 0.830 177.005 176.117 0.096 0.000 1.140 172 I CA 0.446 61.875 61.300 0.215 0.000 1.420 172 I CB -0.137 37.972 38.000 0.183 0.000 1.387 172 I HN 0.213 nan 8.210 nan 0.000 0.553 173 N N 7.335 126.044 118.700 0.014 0.000 3.188 173 N HA 0.104 4.844 4.740 0.000 0.000 0.279 173 N C 1.072 176.564 175.510 -0.030 0.000 1.213 173 N CA -0.189 52.851 53.050 -0.017 0.000 1.138 173 N CB 0.272 38.720 38.487 -0.065 0.000 1.417 173 N HN 0.526 nan 8.380 nan 0.000 0.526 174 R N 0.479 120.954 120.500 -0.042 0.000 2.228 174 R HA -0.236 4.104 4.340 0.000 0.000 0.259 174 R C 0.793 177.068 176.300 -0.043 0.000 1.183 174 R CA 1.697 57.744 56.100 -0.087 0.000 1.002 174 R CB 0.180 30.392 30.300 -0.147 0.000 0.879 174 R HN 0.449 nan 8.270 nan 0.000 0.467 175 E N 0.712 120.900 120.200 -0.019 0.000 2.001 175 E HA -0.118 4.232 4.350 0.000 0.000 0.193 175 E C 1.814 178.421 176.600 0.011 0.000 0.994 175 E CA 0.974 57.373 56.400 -0.001 0.000 0.815 175 E CB -0.153 29.547 29.700 0.001 0.000 0.770 175 E HN 0.033 nan 8.360 nan 0.000 0.453 176 K N 0.499 120.900 120.400 0.001 0.000 2.074 176 K HA -0.148 4.172 4.320 0.000 0.000 0.209 176 K C 2.179 178.805 176.600 0.042 0.000 1.048 176 K CA 0.732 57.027 56.287 0.013 0.000 0.926 176 K CB -0.724 31.760 32.500 -0.026 0.000 0.713 176 K HN 0.096 nan 8.250 nan 0.000 0.444 177 L N 1.490 122.719 121.223 0.009 0.000 2.021 177 L HA -0.215 4.125 4.340 0.000 0.000 0.215 177 L C 2.239 179.157 176.870 0.080 0.000 1.074 177 L CA 1.468 56.330 54.840 0.036 0.000 0.760 177 L CB -0.793 41.266 42.059 -0.000 0.000 0.889 177 L HN 0.121 nan 8.230 nan 0.000 0.433 178 L N -0.639 120.610 121.223 0.043 0.000 2.046 178 L HA -0.243 4.098 4.340 0.000 0.000 0.208 178 L C 2.514 179.464 176.870 0.133 0.000 1.077 178 L CA 1.841 56.707 54.840 0.043 0.000 0.747 178 L CB -0.765 41.324 42.059 0.051 0.000 0.896 178 L HN 0.471 nan 8.230 nan 0.000 0.432 179 Q N -1.937 117.955 119.800 0.152 0.000 2.050 179 Q HA -0.272 4.069 4.340 0.000 0.000 0.202 179 Q C 2.174 178.268 176.000 0.157 0.000 0.980 179 Q CA 2.091 57.995 55.803 0.169 0.000 0.840 179 Q CB -0.538 28.262 28.738 0.103 0.000 0.898 179 Q HN 0.603 nan 8.270 nan 0.000 0.424 180 Y N 1.651 121.975 120.300 0.041 0.000 2.053 180 Y HA -0.299 4.251 4.550 0.000 0.000 0.277 180 Y C 1.949 177.871 175.900 0.037 0.000 1.159 180 Y CA 1.628 59.744 58.100 0.027 0.000 1.125 180 Y CB -0.489 37.971 38.460 0.001 0.000 0.969 180 Y HN 0.009 nan 8.280 nan 0.000 0.492 181 L N -1.254 119.985 121.223 0.026 0.000 1.978 181 L HA -0.353 3.987 4.340 0.000 0.000 0.218 181 L C 2.341 179.199 176.870 -0.020 0.000 1.075 181 L CA 2.009 56.790 54.840 -0.098 0.000 0.767 181 L CB -1.088 40.877 42.059 -0.156 0.000 0.890 181 L HN 0.250 nan 8.230 nan 0.000 0.434 182 Y N 0.473 120.775 120.300 0.003 0.000 2.365 182 Y HA -0.288 4.262 4.550 0.000 0.000 0.287 182 Y C 2.991 178.861 175.900 -0.051 0.000 1.162 182 Y CA 1.426 59.523 58.100 -0.005 0.000 1.260 182 Y CB -0.601 37.839 38.460 -0.033 0.000 0.976 182 Y HN 0.390 nan 8.280 nan 0.000 0.548 183 S N -0.658 115.059 115.700 0.027 0.000 2.348 183 S HA -0.131 4.339 4.470 0.000 0.000 0.219 183 S C 1.914 176.455 174.600 -0.098 0.000 1.033 183 S CA 0.994 59.153 58.200 -0.068 0.000 0.974 183 S CB -0.943 62.161 63.200 -0.160 0.000 0.868 183 S HN 0.443 nan 8.310 nan 0.000 0.459 184 L N 0.808 121.931 121.223 -0.165 0.000 2.353 184 L HA 0.092 4.432 4.340 0.000 0.000 0.220 184 L C 1.166 178.066 176.870 0.050 0.000 1.133 184 L CA 0.463 55.253 54.840 -0.084 0.000 0.798 184 L CB -0.666 41.322 42.059 -0.118 0.000 0.922 184 L HN 0.236 nan 8.230 nan 0.000 0.445 185 K N 1.619 122.076 120.400 0.094 0.000 2.472 185 K HA -0.015 4.305 4.320 0.000 0.000 0.280 185 K C -0.089 176.383 176.600 -0.214 0.000 1.028 185 K CA 0.605 56.794 56.287 -0.162 0.000 1.045 185 K CB 0.349 32.801 32.500 -0.079 0.000 0.902 185 K HN -0.010 nan 8.250 nan 0.000 0.478 186 Q N 4.501 124.093 119.800 -0.346 0.000 2.241 186 Q HA 0.302 4.643 4.340 0.000 0.000 0.262 186 Q C -1.819 174.039 176.000 -0.237 0.000 1.014 186 Q CA -2.137 53.515 55.803 -0.251 0.000 0.885 186 Q CB 0.917 29.495 28.738 -0.266 0.000 1.311 186 Q HN 0.414 nan 8.270 nan 0.000 0.461 187 P HA -0.184 nan 4.420 nan 0.000 0.211 187 P C 0.424 177.659 177.300 -0.108 0.000 1.179 187 P CA 1.681 64.714 63.100 -0.111 0.000 0.910 187 P CB 0.071 31.727 31.700 -0.073 0.000 0.785 188 D N -1.980 118.365 120.400 -0.091 0.000 2.389 188 D HA -0.027 4.613 4.640 0.000 0.000 0.221 188 D C 1.430 177.680 176.300 -0.083 0.000 0.974 188 D CA 1.449 55.432 54.000 -0.029 0.000 0.923 188 D CB -0.757 40.084 40.800 0.070 0.000 0.892 188 D HN 0.345 nan 8.370 nan 0.000 0.518 189 G N -0.232 108.425 108.800 -0.239 0.000 2.659 189 G HA2 -0.257 3.703 3.960 0.000 0.000 0.202 189 G HA3 -0.257 3.703 3.960 0.000 0.000 0.202 189 G C 0.450 174.995 174.900 -0.592 0.000 1.186 189 G CA 0.042 44.954 45.100 -0.314 0.000 0.783 189 G HN 0.902 nan 8.290 nan 0.000 0.521 190 S N 1.501 116.685 115.700 -0.859 0.000 2.560 190 S HA 0.587 5.057 4.470 0.000 0.000 0.284 190 S C 0.113 174.323 174.600 -0.650 0.000 1.327 190 S CA -0.084 57.498 58.200 -1.031 0.000 1.055 190 S CB 0.588 62.523 63.200 -2.109 0.000 0.868 190 S HN 0.545 nan 8.310 nan 0.000 0.506 191 F N 0.798 120.519 119.950 -0.382 0.000 2.380 191 F HA 0.518 5.045 4.527 0.000 0.000 0.321 191 F C 0.827 176.474 175.800 -0.255 0.000 1.103 191 F CA -1.243 56.606 58.000 -0.252 0.000 1.067 191 F CB 0.454 39.354 39.000 -0.167 0.000 1.265 191 F HN 0.417 nan 8.300 nan 0.000 0.517 192 L N 0.998 122.218 121.223 -0.005 0.000 2.479 192 L HA 0.145 4.485 4.340 0.000 0.000 0.249 192 L C 1.132 177.943 176.870 -0.099 0.000 1.178 192 L CA -0.640 54.142 54.840 -0.097 0.000 0.811 192 L CB 0.519 42.501 42.059 -0.129 0.000 1.187 192 L HN 0.720 nan 8.230 nan 0.000 0.480 193 M N -0.062 119.431 119.600 -0.178 0.000 2.171 193 M HA 0.003 4.483 4.480 0.000 0.000 0.260 193 M C 0.398 176.545 176.300 -0.255 0.000 1.087 193 M CA 1.517 56.681 55.300 -0.226 0.000 1.154 193 M CB -0.091 32.361 32.600 -0.247 0.000 1.331 193 M HN 0.704 nan 8.290 nan 0.000 0.431 194 H N -3.470 115.479 119.070 -0.201 0.000 2.906 194 H HA 0.624 5.180 4.556 0.000 0.000 0.337 194 H C -0.932 174.381 175.328 -0.025 0.000 1.257 194 H CA -1.440 54.574 56.048 -0.057 0.000 1.192 194 H CB -0.004 29.790 29.762 0.054 0.000 1.912 194 H HN -0.169 nan 8.280 nan 0.000 0.573 195 V N 1.521 121.605 119.914 0.283 0.000 2.475 195 V HA 0.228 4.348 4.120 0.000 0.000 0.292 195 V C 1.463 177.648 176.094 0.152 0.000 1.003 195 V CA 1.704 64.071 62.300 0.111 0.000 1.120 195 V CB -0.213 31.629 31.823 0.032 0.000 0.937 195 V HN 1.294 nan 8.190 nan 0.000 0.476 196 G N 3.727 112.522 108.800 -0.008 0.000 2.148 196 G HA2 -0.174 3.786 3.960 0.000 0.000 0.254 196 G HA3 -0.174 3.786 3.960 0.000 0.000 0.254 196 G C 0.554 175.380 174.900 -0.123 0.000 0.981 196 G CA 0.232 45.319 45.100 -0.021 0.000 0.670 196 G HN 1.255 nan 8.290 nan 0.000 0.528 197 G N -0.508 108.033 108.800 -0.433 0.000 2.531 197 G HA2 0.658 4.618 3.960 0.000 0.000 0.253 197 G HA3 0.658 4.618 3.960 0.000 0.000 0.253 197 G C 0.252 174.954 174.900 -0.330 0.000 1.439 197 G CA 0.330 44.956 45.100 -0.789 0.000 1.056 197 G HN 0.553 nan 8.290 nan 0.000 0.555 198 E N -1.756 118.291 120.200 -0.254 0.000 2.601 198 E HA 0.563 4.913 4.350 0.000 0.000 0.250 198 E C -0.294 176.248 176.600 -0.096 0.000 1.099 198 E CA -0.765 55.568 56.400 -0.111 0.000 0.968 198 E CB 1.173 30.852 29.700 -0.035 0.000 1.290 198 E HN 0.765 nan 8.360 nan 0.000 0.505 199 V N -1.671 118.216 119.914 -0.046 0.000 2.777 199 V HA 0.826 4.946 4.120 0.000 0.000 0.306 199 V C -1.876 174.243 176.094 0.042 0.000 1.112 199 V CA -0.867 61.401 62.300 -0.052 0.000 0.917 199 V CB 1.408 33.161 31.823 -0.117 0.000 1.018 199 V HN 0.854 nan 8.190 nan 0.000 0.426 200 D N 2.149 122.591 120.400 0.070 0.000 2.728 200 D HA 0.385 5.025 4.640 0.000 0.000 0.249 200 D C 0.784 177.226 176.300 0.236 0.000 1.225 200 D CA -0.155 53.960 54.000 0.192 0.000 0.748 200 D CB 1.533 42.317 40.800 -0.026 0.000 1.326 200 D HN 1.331 nan 8.370 nan 0.000 0.426 201 V N -0.454 119.670 119.914 0.350 0.000 2.280 201 V HA -0.419 3.701 4.120 0.000 0.000 0.258 201 V C 2.330 178.579 176.094 0.259 0.000 1.081 201 V CA 2.523 65.027 62.300 0.341 0.000 1.070 201 V CB -1.080 30.895 31.823 0.252 0.000 0.666 201 V HN 0.824 nan 8.190 nan 0.000 0.450 202 R N 0.500 121.194 120.500 0.323 0.000 2.165 202 R HA -0.286 4.054 4.340 0.000 0.000 0.254 202 R C 2.602 179.003 176.300 0.168 0.000 1.153 202 R CA 2.445 58.705 56.100 0.267 0.000 0.971 202 R CB -0.719 29.765 30.300 0.307 0.000 0.878 202 R HN 0.733 nan 8.270 nan 0.000 0.449 203 S N -0.713 115.056 115.700 0.116 0.000 2.344 203 S HA -0.169 4.301 4.470 0.000 0.000 0.217 203 S C 1.996 176.583 174.600 -0.020 0.000 1.033 203 S CA 1.472 59.688 58.200 0.027 0.000 1.017 203 S CB -0.468 62.734 63.200 0.003 0.000 0.941 203 S HN 0.576 nan 8.310 nan 0.000 0.430 204 A N 0.540 123.389 122.820 0.048 0.000 1.927 204 A HA -0.174 4.146 4.320 0.000 0.000 0.220 204 A C 2.106 179.643 177.584 -0.078 0.000 1.185 204 A CA 2.215 54.274 52.037 0.037 0.000 0.639 204 A CB -1.446 17.614 19.000 0.101 0.000 0.820 204 A HN 0.812 nan 8.150 nan 0.000 0.451 205 Y N 0.442 120.656 120.300 -0.143 0.000 2.165 205 Y HA -0.290 4.260 4.550 0.000 0.000 0.286 205 Y C 2.566 178.292 175.900 -0.290 0.000 1.155 205 Y CA 1.244 59.218 58.100 -0.210 0.000 1.164 205 Y CB -1.048 37.324 38.460 -0.146 0.000 0.978 205 Y HN 0.422 nan 8.280 nan 0.000 0.513 206 C N 0.399 119.423 119.300 -0.460 0.000 2.442 206 C HA -0.094 4.366 4.460 0.000 0.000 0.279 206 C C 3.052 177.815 174.990 -0.378 0.000 1.237 206 C CA 1.187 59.873 59.018 -0.553 0.000 1.722 206 C CB -1.783 25.800 27.740 -0.262 0.000 2.056 206 C HN 0.736 nan 8.230 nan 0.000 0.469 207 A N 1.220 123.825 122.820 -0.359 0.000 1.852 207 A HA -0.137 4.183 4.320 0.000 0.000 0.217 207 A C 2.403 179.874 177.584 -0.187 0.000 1.215 207 A CA 3.154 54.973 52.037 -0.364 0.000 0.641 207 A CB -1.526 17.009 19.000 -0.774 0.000 0.838 207 A HN 0.687 nan 8.150 nan 0.000 0.450 208 A N -0.874 121.760 122.820 -0.310 0.000 1.863 208 A HA -0.291 4.029 4.320 0.000 0.000 0.218 208 A C 2.535 180.028 177.584 -0.153 0.000 1.233 208 A CA 3.525 55.376 52.037 -0.311 0.000 0.655 208 A CB -1.566 17.175 19.000 -0.432 0.000 0.839 208 A HN 1.131 nan 8.150 nan 0.000 0.454 209 S N -1.217 114.299 115.700 -0.306 0.000 2.399 209 S HA -0.203 4.267 4.470 0.000 0.000 0.235 209 S C 1.850 176.461 174.600 0.017 0.000 1.063 209 S CA 2.225 60.256 58.200 -0.283 0.000 1.070 209 S CB -0.714 62.093 63.200 -0.654 0.000 0.904 209 S HN 0.363 nan 8.310 nan 0.000 0.456 210 V N 1.896 121.789 119.914 -0.035 0.000 2.231 210 V HA -0.019 4.102 4.120 0.000 0.000 0.240 210 V C 2.923 179.033 176.094 0.028 0.000 1.039 210 V CA 1.693 64.002 62.300 0.015 0.000 0.998 210 V CB -1.571 30.240 31.823 -0.021 0.000 0.639 210 V HN 0.652 nan 8.190 nan 0.000 0.451 211 A N 0.815 123.653 122.820 0.031 0.000 1.915 211 A HA -0.348 3.972 4.320 0.000 0.000 0.220 211 A C 2.575 180.206 177.584 0.078 0.000 1.198 211 A CA 3.366 55.434 52.037 0.050 0.000 0.647 211 A CB -1.178 17.907 19.000 0.142 0.000 0.825 211 A HN 0.753 nan 8.150 nan 0.000 0.456 212 S N -0.080 115.702 115.700 0.138 0.000 2.353 212 S HA -0.149 4.321 4.470 0.000 0.000 0.222 212 S C 1.970 176.663 174.600 0.155 0.000 1.035 212 S CA 1.580 59.880 58.200 0.165 0.000 1.025 212 S CB -0.847 62.486 63.200 0.222 0.000 0.902 212 S HN 0.478 nan 8.310 nan 0.000 0.440 213 L N 1.742 123.073 121.223 0.181 0.000 1.970 213 L HA -0.091 4.249 4.340 0.000 0.000 0.212 213 L C 2.851 179.829 176.870 0.181 0.000 1.071 213 L CA 1.947 56.900 54.840 0.189 0.000 0.751 213 L CB -1.751 40.432 42.059 0.207 0.000 0.889 213 L HN 0.591 nan 8.230 nan 0.000 0.432 214 T N -2.702 111.792 114.554 -0.100 0.000 3.361 214 T HA -0.018 4.332 4.350 0.000 0.000 0.251 214 T C 0.753 175.323 174.700 -0.217 0.000 1.131 214 T CA 0.158 61.904 62.100 -0.591 0.000 1.001 214 T CB -1.016 67.416 68.868 -0.727 0.000 1.003 214 T HN 0.393 nan 8.240 nan 0.000 0.558 215 N N 1.805 120.505 118.700 -0.000 0.000 2.684 215 N HA -0.213 4.527 4.740 0.000 0.000 0.284 215 N C 0.140 175.645 175.510 -0.009 0.000 1.067 215 N CA 0.842 53.913 53.050 0.036 0.000 0.791 215 N CB -1.581 36.953 38.487 0.077 0.000 0.934 215 N HN 0.933 nan 8.380 nan 0.000 0.566 216 I N -1.176 119.381 120.570 -0.021 0.000 3.241 216 I HA 0.386 4.556 4.170 0.000 0.000 0.333 216 I C -0.481 175.610 176.117 -0.043 0.000 1.534 216 I CA -0.738 60.540 61.300 -0.037 0.000 0.979 216 I CB 0.132 38.092 38.000 -0.068 0.000 1.497 216 I HN 0.047 nan 8.210 nan 0.000 0.530 217 I N 2.738 123.299 120.570 -0.015 0.000 2.315 217 I HA 0.292 4.462 4.170 0.000 0.000 0.291 217 I C 0.799 176.893 176.117 -0.039 0.000 1.006 217 I CA -0.400 60.869 61.300 -0.052 0.000 1.265 217 I CB 1.602 39.633 38.000 0.051 0.000 1.387 217 I HN 0.343 nan 8.210 nan 0.000 0.475 218 T N 2.438 116.946 114.554 -0.077 0.000 2.928 218 T HA 0.360 4.710 4.350 0.000 0.000 0.284 218 T C -2.005 172.685 174.700 -0.017 0.000 1.008 218 T CA -1.989 60.109 62.100 -0.003 0.000 1.057 218 T CB 1.571 70.491 68.868 0.085 0.000 1.018 218 T HN 0.303 nan 8.240 nan 0.000 0.493 219 P HA 0.063 nan 4.420 nan 0.000 0.239 219 P C 0.456 177.767 177.300 0.018 0.000 1.184 219 P CA 0.558 63.672 63.100 0.023 0.000 0.760 219 P CB 0.007 31.723 31.700 0.028 0.000 0.884 220 D N -2.618 117.793 120.400 0.018 0.000 2.535 220 D HA 0.044 4.684 4.640 0.000 0.000 0.229 220 D C 1.166 177.474 176.300 0.015 0.000 1.238 220 D CA -0.272 53.747 54.000 0.031 0.000 0.824 220 D CB -0.242 40.591 40.800 0.056 0.000 1.045 220 D HN 0.042 nan 8.370 nan 0.000 0.500 221 L N 0.252 121.382 121.223 -0.155 0.000 1.995 221 L HA 0.190 4.530 4.340 0.000 0.000 0.206 221 L C 0.977 177.620 176.870 -0.378 0.000 1.098 221 L CA 1.526 56.094 54.840 -0.453 0.000 0.762 221 L CB -0.881 40.610 42.059 -0.947 0.000 0.900 221 L HN -0.169 nan 8.230 nan 0.000 0.441 222 F N 0.778 120.740 119.950 0.021 0.000 2.703 222 F HA 0.209 4.736 4.527 0.000 0.000 0.299 222 F C 0.642 176.424 175.800 -0.031 0.000 1.229 222 F CA -0.577 57.428 58.000 0.008 0.000 1.430 222 F CB -1.654 37.398 39.000 0.086 0.000 1.053 222 F HN 0.162 nan 8.300 nan 0.000 0.513 223 E N 1.053 121.279 120.200 0.044 0.000 2.406 223 E HA 0.309 4.659 4.350 0.000 0.000 0.247 223 E C 1.275 177.885 176.600 0.018 0.000 1.160 223 E CA 0.776 57.196 56.400 0.034 0.000 0.950 223 E CB -0.386 29.316 29.700 0.004 0.000 0.993 223 E HN 0.549 nan 8.360 nan 0.000 0.472 224 G N 3.274 112.106 108.800 0.053 0.000 2.279 224 G HA2 -0.343 3.617 3.960 0.000 0.000 0.223 224 G HA3 -0.343 3.617 3.960 0.000 0.000 0.223 224 G C 1.418 176.372 174.900 0.090 0.000 1.015 224 G CA 0.320 45.452 45.100 0.053 0.000 0.621 224 G HN 0.554 nan 8.290 nan 0.000 0.506 225 T N 1.528 116.133 114.554 0.085 0.000 2.653 225 T HA -0.033 4.317 4.350 0.000 0.000 0.268 225 T C 2.770 177.563 174.700 0.155 0.000 1.035 225 T CA 3.136 65.304 62.100 0.114 0.000 1.154 225 T CB -0.575 68.388 68.868 0.159 0.000 0.862 225 T HN 1.319 nan 8.240 nan 0.000 0.441 226 A N 1.323 124.212 122.820 0.115 0.000 1.865 226 A HA -0.173 4.147 4.320 0.000 0.000 0.217 226 A C 2.186 179.826 177.584 0.094 0.000 1.191 226 A CA 2.035 54.122 52.037 0.083 0.000 0.623 226 A CB -0.722 18.315 19.000 0.061 0.000 0.826 226 A HN 0.426 nan 8.150 nan 0.000 0.444 227 E N -1.360 118.897 120.200 0.096 0.000 2.147 227 E HA -0.241 4.110 4.350 0.000 0.000 0.199 227 E C 1.530 178.191 176.600 0.101 0.000 1.005 227 E CA 1.472 57.919 56.400 0.079 0.000 0.810 227 E CB -0.368 29.376 29.700 0.074 0.000 0.736 227 E HN 0.844 nan 8.360 nan 0.000 0.460 228 W N 0.513 121.794 121.300 -0.032 0.000 2.408 228 W HA -0.008 4.652 4.660 0.000 0.000 0.311 228 W C 1.748 178.238 176.519 -0.049 0.000 1.190 228 W CA 1.182 58.502 57.345 -0.042 0.000 1.321 228 W CB -0.196 29.238 29.460 -0.044 0.000 1.143 228 W HN -0.046 nan 8.180 nan 0.000 0.501 229 I N 1.076 121.819 120.570 0.288 0.000 2.502 229 I HA -0.333 3.837 4.170 0.000 0.000 0.258 229 I C 2.342 178.400 176.117 -0.098 0.000 1.172 229 I CA 1.269 62.637 61.300 0.113 0.000 1.430 229 I CB -0.989 37.093 38.000 0.137 0.000 1.086 229 I HN 0.136 nan 8.210 nan 0.000 0.440 230 A N 0.865 123.630 122.820 -0.093 0.000 1.903 230 A HA -0.070 4.250 4.320 0.000 0.000 0.213 230 A C 2.310 179.774 177.584 -0.200 0.000 1.185 230 A CA 0.620 52.585 52.037 -0.121 0.000 0.628 230 A CB -0.378 18.582 19.000 -0.067 0.000 0.830 230 A HN 0.250 nan 8.150 nan 0.000 0.446 231 R N -0.758 119.584 120.500 -0.263 0.000 2.355 231 R HA -0.134 4.206 4.340 0.000 0.000 0.219 231 R C 1.726 177.784 176.300 -0.404 0.000 1.107 231 R CA 1.062 56.971 56.100 -0.320 0.000 1.021 231 R CB -0.720 29.348 30.300 -0.386 0.000 0.852 231 R HN 0.636 nan 8.270 nan 0.000 0.475 232 C N -0.264 118.762 119.300 -0.457 0.000 2.492 232 C HA -0.039 4.421 4.460 0.000 0.000 0.279 232 C C 1.430 176.231 174.990 -0.316 0.000 1.335 232 C CA -0.313 58.439 59.018 -0.443 0.000 1.734 232 C CB -0.518 26.945 27.740 -0.462 0.000 2.027 232 C HN 0.480 nan 8.230 nan 0.000 0.496 233 Q N 3.072 122.713 119.800 -0.265 0.000 2.256 233 Q HA 0.000 4.340 4.340 0.000 0.000 0.281 233 Q C 0.553 176.413 176.000 -0.235 0.000 1.162 233 Q CA 0.202 55.851 55.803 -0.257 0.000 0.943 233 Q CB 0.093 28.712 28.738 -0.199 0.000 1.195 233 Q HN 0.857 nan 8.270 nan 0.000 0.403 234 N N 2.779 121.306 118.700 -0.288 0.000 2.385 234 N HA 0.067 4.807 4.740 0.000 0.000 0.291 234 N C 0.998 176.410 175.510 -0.164 0.000 1.298 234 N CA -0.453 52.471 53.050 -0.209 0.000 0.955 234 N CB -0.059 38.271 38.487 -0.262 0.000 1.096 234 N HN 0.735 nan 8.380 nan 0.000 0.543 235 W N -1.093 120.128 121.300 -0.132 0.000 2.525 235 W HA 0.008 4.668 4.660 0.000 0.000 0.259 235 W C 0.151 176.611 176.519 -0.098 0.000 1.253 235 W CA 0.441 57.728 57.345 -0.095 0.000 1.262 235 W CB -0.731 28.689 29.460 -0.066 0.000 1.122 235 W HN 0.560 nan 8.180 nan 0.000 0.607 236 E N 0.372 120.099 120.200 -0.789 0.000 2.476 236 E HA 0.200 4.550 4.350 0.000 0.000 0.191 236 E C 1.974 178.265 176.600 -0.514 0.000 1.064 236 E CA 0.400 56.329 56.400 -0.784 0.000 0.866 236 E CB -0.227 28.798 29.700 -1.125 0.000 0.952 236 E HN 0.369 nan 8.360 nan 0.000 0.492 237 G N 1.145 109.717 108.800 -0.379 0.000 2.377 237 G HA2 -0.342 3.618 3.960 0.000 0.000 0.250 237 G HA3 -0.342 3.618 3.960 0.000 0.000 0.250 237 G C 0.722 175.363 174.900 -0.431 0.000 1.039 237 G CA 0.143 45.082 45.100 -0.267 0.000 0.625 237 G HN 0.538 nan 8.290 nan 0.000 0.526 238 G N -0.515 107.713 108.800 -0.953 0.000 2.508 238 G HA2 0.625 4.585 3.960 0.000 0.000 0.278 238 G HA3 0.625 4.585 3.960 0.000 0.000 0.278 238 G C 0.003 174.433 174.900 -0.783 0.000 1.389 238 G CA -0.270 44.047 45.100 -1.306 0.000 1.050 238 G HN 0.730 nan 8.290 nan 0.000 0.522 239 I N -0.700 119.489 120.570 -0.635 0.000 2.846 239 I HA 0.594 4.764 4.170 0.000 0.000 0.307 239 I C 0.587 176.537 176.117 -0.279 0.000 1.053 239 I CA -0.862 60.219 61.300 -0.364 0.000 1.050 239 I CB 2.376 40.251 38.000 -0.209 0.000 1.239 239 I HN 0.628 nan 8.210 nan 0.000 0.439 240 G N 1.160 109.809 108.800 -0.253 0.000 2.600 240 G HA2 0.492 4.452 3.960 0.000 0.000 0.303 240 G HA3 0.492 4.452 3.960 0.000 0.000 0.303 240 G C 0.630 175.293 174.900 -0.395 0.000 1.253 240 G CA -0.160 44.807 45.100 -0.221 0.000 0.974 240 G HN 0.789 nan 8.290 nan 0.000 0.483 241 G N -0.760 107.599 108.800 -0.735 0.000 2.672 241 G HA2 0.120 4.080 3.960 0.000 0.000 0.218 241 G HA3 0.120 4.080 3.960 0.000 0.000 0.218 241 G C 0.774 175.372 174.900 -0.504 0.000 1.238 241 G CA 2.264 46.614 45.100 -1.250 0.000 0.791 241 G HN 1.651 nan 8.290 nan 0.000 0.606 242 V N -3.729 115.986 119.914 -0.332 0.000 2.823 242 V HA 0.681 4.801 4.120 0.000 0.000 0.312 242 V C -2.820 173.103 176.094 -0.285 0.000 1.072 242 V CA -2.926 59.244 62.300 -0.216 0.000 0.937 242 V CB 1.947 33.752 31.823 -0.029 0.000 1.013 242 V HN 0.055 nan 8.190 nan 0.000 0.430 243 P HA 0.123 nan 4.420 nan 0.000 0.258 243 P C 1.079 178.266 177.300 -0.187 0.000 1.136 243 P CA 2.590 65.490 63.100 -0.333 0.000 0.761 243 P CB 0.084 31.570 31.700 -0.356 0.000 0.724 244 G N 2.124 110.831 108.800 -0.154 0.000 2.217 244 G HA2 -0.222 3.738 3.960 0.000 0.000 0.246 244 G HA3 -0.222 3.738 3.960 0.000 0.000 0.246 244 G C 0.174 175.040 174.900 -0.057 0.000 0.990 244 G CA -0.414 44.641 45.100 -0.075 0.000 0.627 244 G HN 0.426 nan 8.290 nan 0.000 0.522 245 M N 1.450 120.984 119.600 -0.111 0.000 2.249 245 M HA 0.389 4.869 4.480 0.000 0.000 0.351 245 M C 0.785 177.025 176.300 -0.101 0.000 1.180 245 M CA -0.925 54.319 55.300 -0.092 0.000 1.127 245 M CB 0.960 33.478 32.600 -0.137 0.000 1.546 245 M HN 0.442 nan 8.290 nan 0.000 0.461 246 E N 1.660 121.836 120.200 -0.040 0.000 2.598 246 E HA 0.074 4.424 4.350 0.000 0.000 0.273 246 E C -0.499 176.032 176.600 -0.115 0.000 1.029 246 E CA -0.057 56.310 56.400 -0.054 0.000 0.985 246 E CB 0.649 30.371 29.700 0.038 0.000 0.988 246 E HN 0.726 nan 8.360 nan 0.000 0.460 247 A N 4.185 126.856 122.820 -0.249 0.000 2.462 247 A HA 0.120 4.440 4.320 0.000 0.000 0.243 247 A C -0.395 177.205 177.584 0.027 0.000 1.076 247 A CA 0.102 51.908 52.037 -0.384 0.000 0.773 247 A CB 0.389 18.852 19.000 -0.895 0.000 1.010 247 A HN 0.689 nan 8.150 nan 0.000 0.493 248 H N 1.376 120.443 119.070 -0.005 0.000 2.947 248 H HA 0.346 4.902 4.556 0.000 0.000 0.354 248 H C 1.023 176.514 175.328 0.273 0.000 1.085 248 H CA 0.132 56.302 56.048 0.204 0.000 1.253 248 H CB 1.578 31.489 29.762 0.249 0.000 1.757 248 H HN 0.680 nan 8.280 nan 0.000 0.523 249 G N 2.611 111.368 108.800 -0.071 0.000 2.440 249 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 249 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 249 G C 1.500 176.445 174.900 0.075 0.000 1.154 249 G CA 0.848 45.967 45.100 0.031 0.000 0.767 249 G HN 0.672 nan 8.290 nan 0.000 0.552 250 G N -0.026 108.790 108.800 0.026 0.000 2.433 250 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 250 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 250 G C 1.627 176.355 174.900 -0.287 0.000 1.186 250 G CA 1.072 45.910 45.100 -0.436 0.000 0.779 250 G HN 0.412 nan 8.290 nan 0.000 0.543 251 Y N 1.331 121.679 120.300 0.081 0.000 2.145 251 Y HA -0.084 4.466 4.550 0.000 0.000 0.286 251 Y C 3.343 179.231 175.900 -0.020 0.000 1.145 251 Y CA 1.430 59.521 58.100 -0.015 0.000 1.148 251 Y CB -1.043 37.401 38.460 -0.026 0.000 0.981 251 Y HN 0.116 nan 8.280 nan 0.000 0.507 252 T N 0.803 115.466 114.554 0.182 0.000 2.597 252 T HA -0.314 4.036 4.350 0.000 0.000 0.267 252 T C 1.673 176.387 174.700 0.023 0.000 1.053 252 T CA 1.904 64.049 62.100 0.075 0.000 1.165 252 T CB -0.993 67.973 68.868 0.163 0.000 0.863 252 T HN 0.357 nan 8.240 nan 0.000 0.427 253 F N 1.403 121.313 119.950 -0.068 0.000 2.087 253 F HA -0.273 4.254 4.527 0.000 0.000 0.299 253 F C 2.574 178.211 175.800 -0.271 0.000 1.100 253 F CA 1.162 59.084 58.000 -0.132 0.000 1.226 253 F CB -0.898 38.093 39.000 -0.014 0.000 0.983 253 F HN 0.222 nan 8.300 nan 0.000 0.479 254 C N 0.673 119.866 119.300 -0.178 0.000 2.388 254 C HA -0.172 4.288 4.460 0.000 0.000 0.277 254 C C 3.132 177.963 174.990 -0.264 0.000 1.210 254 C CA 1.468 60.295 59.018 -0.319 0.000 1.743 254 C CB -1.934 25.815 27.740 0.015 0.000 2.047 254 C HN 0.748 nan 8.230 nan 0.000 0.458 255 G N -0.073 108.663 108.800 -0.107 0.000 2.491 255 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 255 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 255 G C 1.501 176.313 174.900 -0.147 0.000 1.180 255 G CA 1.227 46.282 45.100 -0.074 0.000 0.774 255 G HN 0.442 nan 8.290 nan 0.000 0.562 256 L N 1.338 122.434 121.223 -0.212 0.000 1.976 256 L HA 0.139 4.479 4.340 0.000 0.000 0.209 256 L C 3.228 179.928 176.870 -0.284 0.000 1.071 256 L CA 2.298 57.008 54.840 -0.216 0.000 0.746 256 L CB -0.932 41.000 42.059 -0.211 0.000 0.890 256 L HN 0.267 nan 8.230 nan 0.000 0.432 257 A N -0.461 122.039 122.820 -0.532 0.000 1.927 257 A HA -0.277 4.043 4.320 0.000 0.000 0.220 257 A C 2.442 179.875 177.584 -0.252 0.000 1.185 257 A CA 2.416 54.123 52.037 -0.551 0.000 0.639 257 A CB -1.365 16.936 19.000 -1.165 0.000 0.820 257 A HN 0.615 nan 8.150 nan 0.000 0.451 258 A N -0.583 122.122 122.820 -0.191 0.000 1.940 258 A HA -0.044 4.276 4.320 0.000 0.000 0.219 258 A C 2.120 179.636 177.584 -0.113 0.000 1.176 258 A CA 1.570 53.555 52.037 -0.087 0.000 0.631 258 A CB -0.535 18.431 19.000 -0.056 0.000 0.814 258 A HN 0.509 nan 8.150 nan 0.000 0.446 259 L N -0.486 120.677 121.223 -0.100 0.000 2.313 259 L HA -0.068 4.272 4.340 0.000 0.000 0.214 259 L C 2.197 179.044 176.870 -0.038 0.000 1.119 259 L CA 0.434 55.237 54.840 -0.061 0.000 0.809 259 L CB -0.287 41.742 42.059 -0.051 0.000 0.933 259 L HN 0.241 nan 8.230 nan 0.000 0.449 260 V N -0.190 119.694 119.914 -0.051 0.000 2.667 260 V HA -0.198 3.922 4.120 0.000 0.000 0.252 260 V C 2.227 178.343 176.094 0.037 0.000 1.065 260 V CA 1.295 63.593 62.300 -0.002 0.000 1.083 260 V CB -0.186 31.632 31.823 -0.007 0.000 0.692 260 V HN 0.306 nan 8.190 nan 0.000 0.468 261 I N -0.184 120.393 120.570 0.011 0.000 2.162 261 I HA -0.158 4.012 4.170 0.000 0.000 0.238 261 I C 2.154 178.293 176.117 0.036 0.000 1.076 261 I CA 1.462 62.788 61.300 0.043 0.000 1.353 261 I CB -0.311 37.678 38.000 -0.017 0.000 1.063 261 I HN 0.200 nan 8.210 nan 0.000 0.408 262 L N 0.922 122.133 121.223 -0.019 0.000 2.551 262 L HA -0.141 4.199 4.340 0.000 0.000 0.230 262 L C 0.404 177.302 176.870 0.047 0.000 1.163 262 L CA 0.733 55.579 54.840 0.010 0.000 0.826 262 L CB -0.821 41.215 42.059 -0.038 0.000 0.943 262 L HN 0.353 nan 8.230 nan 0.000 0.452 263 K N 0.082 120.508 120.400 0.043 0.000 3.150 263 K HA -0.180 4.140 4.320 0.000 0.000 0.267 263 K C 0.305 176.930 176.600 0.042 0.000 1.028 263 K CA 0.330 56.648 56.287 0.051 0.000 0.753 263 K CB -0.877 31.663 32.500 0.066 0.000 1.288 263 K HN 0.233 nan 8.250 nan 0.000 0.473 264 K N -0.145 120.271 120.400 0.026 0.000 2.483 264 K HA 0.052 4.372 4.320 0.000 0.000 0.206 264 K C 0.781 177.387 176.600 0.011 0.000 1.086 264 K CA 0.073 56.373 56.287 0.022 0.000 1.052 264 K CB 0.727 33.240 32.500 0.022 0.000 0.904 264 K HN 0.143 nan 8.250 nan 0.000 0.557 265 E N 1.614 121.819 120.200 0.008 0.000 2.170 265 E HA -0.261 4.089 4.350 0.000 0.000 0.229 265 E C 1.518 178.120 176.600 0.003 0.000 1.074 265 E CA 1.981 58.382 56.400 0.000 0.000 0.930 265 E CB -0.427 29.281 29.700 0.012 0.000 0.806 265 E HN 0.238 nan 8.360 nan 0.000 0.478 266 R N 0.532 121.040 120.500 0.014 0.000 2.332 266 R HA -0.088 4.252 4.340 0.000 0.000 0.239 266 R C 2.212 178.515 176.300 0.006 0.000 1.160 266 R CA 1.076 57.184 56.100 0.013 0.000 1.020 266 R CB -0.398 29.914 30.300 0.020 0.000 0.859 266 R HN 0.077 nan 8.270 nan 0.000 0.478 267 S N 0.621 116.323 115.700 0.003 0.000 2.469 267 S HA -0.030 4.440 4.470 0.000 0.000 0.238 267 S C 0.990 175.581 174.600 -0.015 0.000 0.998 267 S CA 0.726 58.925 58.200 -0.002 0.000 0.957 267 S CB -0.048 63.153 63.200 0.002 0.000 0.764 267 S HN 0.180 nan 8.310 nan 0.000 0.514 268 L N 1.029 122.240 121.223 -0.020 0.000 2.440 268 L HA 0.391 4.731 4.340 0.000 0.000 0.262 268 L C 0.725 177.582 176.870 -0.022 0.000 1.072 268 L CA -0.784 54.036 54.840 -0.034 0.000 0.798 268 L CB 0.215 42.246 42.059 -0.046 0.000 1.307 268 L HN 0.002 nan 8.230 nan 0.000 0.475 269 N N 1.064 119.746 118.700 -0.029 0.000 2.868 269 N HA 0.161 4.901 4.740 0.000 0.000 0.252 269 N C 0.814 176.321 175.510 -0.004 0.000 1.130 269 N CA -0.052 52.989 53.050 -0.014 0.000 1.026 269 N CB 0.548 39.024 38.487 -0.018 0.000 1.335 269 N HN 0.573 nan 8.380 nan 0.000 0.516 270 L N 1.713 122.940 121.223 0.007 0.000 2.081 270 L HA -0.218 4.122 4.340 0.000 0.000 0.212 270 L C 2.390 179.283 176.870 0.038 0.000 1.080 270 L CA 1.346 56.200 54.840 0.022 0.000 0.754 270 L CB -0.191 41.885 42.059 0.027 0.000 0.893 270 L HN 0.455 nan 8.230 nan 0.000 0.433 271 K N -0.247 120.175 120.400 0.035 0.000 2.103 271 K HA -0.097 4.223 4.320 0.000 0.000 0.204 271 K C 2.155 178.788 176.600 0.055 0.000 1.052 271 K CA 1.260 57.576 56.287 0.048 0.000 0.945 271 K CB 0.108 32.633 32.500 0.041 0.000 0.722 271 K HN 0.115 nan 8.250 nan 0.000 0.443 272 S N 1.051 116.773 115.700 0.037 0.000 2.474 272 S HA -0.091 4.379 4.470 0.000 0.000 0.235 272 S C 1.485 176.113 174.600 0.047 0.000 0.997 272 S CA 0.632 58.852 58.200 0.035 0.000 0.949 272 S CB -0.095 63.107 63.200 0.003 0.000 0.766 272 S HN 0.257 nan 8.310 nan 0.000 0.517 273 L N 1.416 122.669 121.223 0.050 0.000 2.084 273 L HA 0.224 4.564 4.340 0.000 0.000 0.202 273 L C 1.961 178.941 176.870 0.183 0.000 1.074 273 L CA 1.326 56.219 54.840 0.089 0.000 0.757 273 L CB -1.072 41.014 42.059 0.045 0.000 0.918 273 L HN 0.238 nan 8.230 nan 0.000 0.444 274 L N 0.039 121.344 121.223 0.137 0.000 1.990 274 L HA -0.281 4.059 4.340 0.000 0.000 0.213 274 L C 2.636 179.600 176.870 0.156 0.000 1.072 274 L CA 2.347 57.274 54.840 0.145 0.000 0.755 274 L CB -0.945 41.187 42.059 0.122 0.000 0.889 274 L HN 0.567 nan 8.230 nan 0.000 0.432 275 Q N -1.115 118.772 119.800 0.145 0.000 2.096 275 Q HA -0.309 4.031 4.340 0.000 0.000 0.208 275 Q C 1.911 178.012 176.000 0.168 0.000 0.993 275 Q CA 2.811 58.697 55.803 0.137 0.000 0.862 275 Q CB -0.846 27.966 28.738 0.124 0.000 0.915 275 Q HN 0.661 nan 8.270 nan 0.000 0.416 276 W N -0.502 120.798 121.300 -0.000 0.000 2.348 276 W HA -0.178 4.482 4.660 -0.000 0.000 0.324 276 W C 2.028 178.551 176.519 0.006 0.000 1.209 276 W CA 2.076 59.406 57.345 -0.024 0.000 1.275 276 W CB -0.897 28.518 29.460 -0.074 0.000 1.175 276 W HN 0.015 nan 8.180 nan 0.000 0.461 277 V N 1.723 121.640 119.914 0.005 0.000 2.233 277 V HA -0.529 3.591 4.120 0.000 0.000 0.256 277 V C 2.539 178.554 176.094 -0.133 0.000 1.069 277 V CA 3.798 65.951 62.300 -0.246 0.000 1.054 277 V CB -2.147 29.670 31.823 -0.010 0.000 0.664 277 V HN 0.551 nan 8.190 nan 0.000 0.453 278 T N -2.139 112.436 114.554 0.036 0.000 2.653 278 T HA -0.292 4.058 4.350 0.000 0.000 0.268 278 T C 1.776 176.484 174.700 0.013 0.000 1.035 278 T CA 2.116 64.278 62.100 0.104 0.000 1.154 278 T CB -0.789 68.153 68.868 0.122 0.000 0.862 278 T HN 0.416 nan 8.240 nan 0.000 0.441 279 S N 0.881 116.538 115.700 -0.071 0.000 2.507 279 S HA 0.041 4.511 4.470 0.000 0.000 0.235 279 S C 1.993 176.477 174.600 -0.194 0.000 0.988 279 S CA 0.215 58.350 58.200 -0.108 0.000 0.944 279 S CB -0.280 62.871 63.200 -0.083 0.000 0.762 279 S HN 0.376 nan 8.310 nan 0.000 0.526 280 R N 1.334 121.674 120.500 -0.266 0.000 2.280 280 R HA 0.136 4.476 4.340 0.000 0.000 0.207 280 R C 1.038 177.259 176.300 -0.131 0.000 1.043 280 R CA 0.230 56.187 56.100 -0.239 0.000 1.006 280 R CB -0.577 29.521 30.300 -0.337 0.000 0.885 280 R HN 0.549 nan 8.270 nan 0.000 0.467 281 Q N 0.573 120.190 119.800 -0.304 0.000 2.293 281 Q HA 0.164 4.504 4.340 0.000 0.000 0.251 281 Q C -0.527 175.260 176.000 -0.354 0.000 0.930 281 Q CA -0.379 54.978 55.803 -0.744 0.000 0.893 281 Q CB 0.788 29.048 28.738 -0.797 0.000 1.215 281 Q HN -0.142 nan 8.270 nan 0.000 0.425 282 M N 3.769 123.172 119.600 -0.329 0.000 2.184 282 M HA 0.108 4.588 4.480 0.000 0.000 0.351 282 M C 0.800 177.054 176.300 -0.077 0.000 1.395 282 M CA 0.344 55.554 55.300 -0.150 0.000 1.117 282 M CB 0.456 32.984 32.600 -0.120 0.000 1.708 282 M HN 0.663 nan 8.290 nan 0.000 0.468 283 R N 0.722 121.209 120.500 -0.021 0.000 2.377 283 R HA -0.087 4.253 4.340 0.000 0.000 0.207 283 R C 0.610 176.934 176.300 0.040 0.000 1.075 283 R CA 1.252 57.354 56.100 0.003 0.000 1.035 283 R CB -0.259 30.047 30.300 0.011 0.000 0.857 283 R HN 0.566 nan 8.270 nan 0.000 0.475 284 F N 0.328 120.249 119.950 -0.049 0.000 2.199 284 F HA 0.279 4.806 4.527 0.000 0.000 0.244 284 F C 1.423 177.342 175.800 0.198 0.000 1.027 284 F CA 0.016 58.045 58.000 0.047 0.000 1.207 284 F CB 0.041 39.086 39.000 0.075 0.000 1.500 284 F HN -0.149 nan 8.300 nan 0.000 0.622 285 E N 0.788 121.144 120.200 0.259 0.000 2.055 285 E HA -0.019 4.331 4.350 0.000 0.000 0.209 285 E C 1.662 178.253 176.600 -0.014 0.000 1.036 285 E CA 2.469 58.946 56.400 0.129 0.000 0.849 285 E CB -0.829 28.801 29.700 -0.117 0.000 0.767 285 E HN 0.753 nan 8.360 nan 0.000 0.461 286 G N -1.379 107.327 108.800 -0.157 0.000 2.336 286 G HA2 -0.103 3.857 3.960 0.000 0.000 0.194 286 G HA3 -0.103 3.857 3.960 0.000 0.000 0.194 286 G C 0.493 175.265 174.900 -0.213 0.000 0.999 286 G CA -0.076 44.958 45.100 -0.110 0.000 0.669 286 G HN 0.650 nan 8.290 nan 0.000 0.482 287 G N -0.537 108.003 108.800 -0.433 0.000 2.606 287 G HA2 0.683 4.643 3.960 0.000 0.000 0.262 287 G HA3 0.683 4.643 3.960 0.000 0.000 0.262 287 G C -0.500 174.141 174.900 -0.433 0.000 1.394 287 G CA -0.921 44.004 45.100 -0.292 0.000 1.044 287 G HN 0.224 nan 8.290 nan 0.000 0.553 288 F N -0.957 118.950 119.950 -0.071 0.000 2.557 288 F HA 0.494 5.021 4.527 0.000 0.000 0.336 288 F C 0.373 176.125 175.800 -0.080 0.000 1.058 288 F CA -0.668 57.270 58.000 -0.104 0.000 0.988 288 F CB 2.076 40.994 39.000 -0.137 0.000 1.275 288 F HN 0.428 nan 8.300 nan 0.000 0.488 289 Q N -0.170 119.634 119.800 0.007 0.000 2.330 289 Q HA 0.520 4.860 4.340 0.000 0.000 0.269 289 Q C 0.329 176.074 176.000 -0.425 0.000 1.022 289 Q CA -0.763 54.968 55.803 -0.121 0.000 0.796 289 Q CB 1.824 30.499 28.738 -0.105 0.000 1.271 289 Q HN 0.837 nan 8.270 nan 0.000 0.450 290 G N 2.912 111.187 108.800 -0.875 0.000 2.470 290 G HA2 -0.114 3.846 3.960 0.000 0.000 0.220 290 G HA3 -0.114 3.846 3.960 0.000 0.000 0.220 290 G C 0.260 174.804 174.900 -0.592 0.000 1.121 290 G CA 0.253 44.538 45.100 -1.360 0.000 0.766 290 G HN 0.524 nan 8.290 nan 0.000 0.553 291 R N -1.801 118.528 120.500 -0.285 0.000 2.604 291 R HA 0.276 4.616 4.340 0.000 0.000 0.270 291 R C -1.054 175.235 176.300 -0.017 0.000 1.052 291 R CA -0.906 55.170 56.100 -0.040 0.000 0.902 291 R CB 1.247 31.575 30.300 0.047 0.000 1.233 291 R HN 0.050 nan 8.270 nan 0.000 0.455 292 C N 3.860 123.191 119.300 0.052 0.000 2.334 292 C HA -0.047 4.413 4.460 0.000 0.000 0.395 292 C C 0.444 175.458 174.990 0.040 0.000 1.507 292 C CA 0.732 59.771 59.018 0.036 0.000 1.494 292 C CB -1.332 26.466 27.740 0.096 0.000 2.509 292 C HN 0.922 nan 8.230 nan 0.000 0.599 293 N N 3.319 122.031 118.700 0.020 0.000 2.753 293 N HA -0.140 4.600 4.740 0.000 0.000 0.252 293 N C -1.014 174.515 175.510 0.032 0.000 1.071 293 N CA 1.153 54.221 53.050 0.029 0.000 0.690 293 N CB -0.739 37.778 38.487 0.049 0.000 0.906 293 N HN 0.841 nan 8.380 nan 0.000 0.552 294 K N 0.256 120.667 120.400 0.019 0.000 2.543 294 K HA 0.362 4.682 4.320 0.000 0.000 0.255 294 K C 0.342 176.962 176.600 0.034 0.000 0.934 294 K CA -0.768 55.540 56.287 0.035 0.000 0.810 294 K CB 1.968 34.493 32.500 0.041 0.000 1.315 294 K HN 0.001 nan 8.250 nan 0.000 0.433 295 L N 1.767 123.024 121.223 0.057 0.000 2.558 295 L HA -0.023 4.317 4.340 0.000 0.000 0.301 295 L C 1.035 177.958 176.870 0.088 0.000 1.267 295 L CA 0.057 54.937 54.840 0.066 0.000 0.854 295 L CB -0.154 41.955 42.059 0.084 0.000 1.103 295 L HN 0.400 nan 8.230 nan 0.000 0.522 296 V N 1.625 121.582 119.914 0.072 0.000 3.237 296 V HA 0.151 4.271 4.120 0.000 0.000 0.305 296 V C -0.184 176.032 176.094 0.205 0.000 1.096 296 V CA 0.224 62.568 62.300 0.074 0.000 1.130 296 V CB 1.554 33.337 31.823 -0.068 0.000 1.048 296 V HN 0.942 nan 8.190 nan 0.000 0.484 297 D N 2.260 122.837 120.400 0.296 0.000 2.484 297 D HA 0.291 4.931 4.640 0.000 0.000 0.206 297 D C 0.681 177.193 176.300 0.355 0.000 1.322 297 D CA 0.236 54.453 54.000 0.363 0.000 0.913 297 D CB 1.118 42.150 40.800 0.388 0.000 1.559 297 D HN 0.683 nan 8.370 nan 0.000 0.565 298 G N 2.469 111.496 108.800 0.379 0.000 2.783 298 G HA2 -0.422 3.539 3.960 0.000 0.000 0.225 298 G HA3 -0.422 3.539 3.960 0.000 0.000 0.225 298 G C 2.005 176.971 174.900 0.110 0.000 1.191 298 G CA 2.079 47.360 45.100 0.301 0.000 0.774 298 G HN 0.994 nan 8.290 nan 0.000 0.632 299 C N -1.231 118.002 119.300 -0.112 0.000 2.396 299 C HA -0.143 4.317 4.460 0.000 0.000 0.279 299 C C 2.498 177.331 174.990 -0.262 0.000 1.229 299 C CA 1.065 59.860 59.018 -0.371 0.000 1.801 299 C CB -1.736 25.603 27.740 -0.668 0.000 2.050 299 C HN 0.451 nan 8.230 nan 0.000 0.491 300 Y N 2.228 122.573 120.300 0.076 0.000 2.574 300 Y HA 0.004 4.554 4.550 0.000 0.000 0.294 300 Y C 2.790 178.661 175.900 -0.048 0.000 1.142 300 Y CA 1.163 59.323 58.100 0.101 0.000 1.314 300 Y CB -0.883 37.656 38.460 0.132 0.000 0.991 300 Y HN 0.399 nan 8.280 nan 0.000 0.555 301 S N -0.459 115.335 115.700 0.157 0.000 2.440 301 S HA -0.188 4.282 4.470 0.000 0.000 0.238 301 S C 1.673 176.223 174.600 -0.083 0.000 1.010 301 S CA 1.329 59.612 58.200 0.138 0.000 0.972 301 S CB -0.407 62.924 63.200 0.218 0.000 0.774 301 S HN 0.592 nan 8.310 nan 0.000 0.501 302 F N -0.353 119.409 119.950 -0.313 0.000 2.453 302 F HA 0.257 4.784 4.527 0.000 0.000 0.284 302 F C 1.588 177.115 175.800 -0.455 0.000 1.065 302 F CA -0.233 57.502 58.000 -0.441 0.000 1.411 302 F CB -0.464 38.182 39.000 -0.590 0.000 1.131 302 F HN 0.154 nan 8.300 nan 0.000 0.582 303 W N 1.083 122.187 121.300 -0.326 0.000 2.335 303 W HA -0.236 4.424 4.660 0.000 0.000 0.311 303 W C 2.368 178.654 176.519 -0.388 0.000 1.213 303 W CA 0.924 58.056 57.345 -0.354 0.000 1.274 303 W CB -0.154 29.327 29.460 0.035 0.000 1.148 303 W HN 0.075 nan 8.180 nan 0.000 0.498 304 Q N -0.361 119.269 119.800 -0.282 0.000 2.042 304 Q HA 0.037 4.377 4.340 0.000 0.000 0.194 304 Q C 2.372 177.812 176.000 -0.934 0.000 0.978 304 Q CA 1.319 56.721 55.803 -0.669 0.000 0.828 304 Q CB -1.492 26.588 28.738 -1.096 0.000 0.901 304 Q HN 0.206 nan 8.270 nan 0.000 0.461 305 A N 1.204 123.156 122.820 -1.447 0.000 2.234 305 A HA -0.072 4.248 4.320 0.000 0.000 0.216 305 A C 2.059 179.193 177.584 -0.750 0.000 1.167 305 A CA 1.561 52.834 52.037 -1.272 0.000 0.698 305 A CB -0.921 17.263 19.000 -1.360 0.000 0.779 305 A HN 0.455 nan 8.150 nan 0.000 0.475 306 G N -0.367 108.009 108.800 -0.706 0.000 2.448 306 G HA2 -0.033 3.927 3.960 0.000 0.000 0.218 306 G HA3 -0.033 3.927 3.960 0.000 0.000 0.218 306 G C 1.426 176.112 174.900 -0.356 0.000 1.135 306 G CA 0.768 45.444 45.100 -0.706 0.000 0.784 306 G HN 0.465 nan 8.290 nan 0.000 0.543 307 L N 0.071 121.133 121.223 -0.267 0.000 2.017 307 L HA -0.038 4.302 4.340 0.000 0.000 0.208 307 L C 2.871 179.669 176.870 -0.118 0.000 1.073 307 L CA 0.660 55.417 54.840 -0.138 0.000 0.745 307 L CB -0.451 41.555 42.059 -0.089 0.000 0.894 307 L HN 0.164 nan 8.230 nan 0.000 0.432 308 L N -0.368 120.785 121.223 -0.116 0.000 2.013 308 L HA -0.187 4.153 4.340 0.000 0.000 0.212 308 L C -0.194 176.636 176.870 -0.067 0.000 1.073 308 L CA 1.555 56.418 54.840 0.038 0.000 0.753 308 L CB -1.881 40.340 42.059 0.269 0.000 0.890 308 L HN 0.233 nan 8.230 nan 0.000 0.432 309 P HA -0.140 nan 4.420 nan 0.000 0.225 309 P C 1.629 178.801 177.300 -0.212 0.000 1.148 309 P CA 1.210 63.849 63.100 -0.769 0.000 0.779 309 P CB 0.163 31.175 31.700 -1.147 0.000 0.780 310 L N -1.943 119.208 121.223 -0.121 0.000 2.185 310 L HA 0.017 4.357 4.340 0.000 0.000 0.198 310 L C 2.286 179.180 176.870 0.040 0.000 1.079 310 L CA 0.624 55.440 54.840 -0.040 0.000 0.780 310 L CB -0.972 41.032 42.059 -0.091 0.000 0.955 310 L HN -0.136 nan 8.230 nan 0.000 0.462 311 L N -0.393 120.863 121.223 0.056 0.000 2.197 311 L HA -0.300 4.040 4.340 0.000 0.000 0.215 311 L C 2.547 179.520 176.870 0.172 0.000 1.095 311 L CA 1.122 56.025 54.840 0.105 0.000 0.764 311 L CB -0.503 41.630 42.059 0.123 0.000 0.897 311 L HN 0.360 nan 8.230 nan 0.000 0.436 312 H N -0.018 119.119 119.070 0.112 0.000 2.261 312 H HA -0.077 4.479 4.556 0.000 0.000 0.301 312 H C 2.336 177.746 175.328 0.137 0.000 1.067 312 H CA 1.612 57.765 56.048 0.176 0.000 1.297 312 H CB 0.081 30.003 29.762 0.266 0.000 1.377 312 H HN 0.063 nan 8.280 nan 0.000 0.492 313 R N 0.043 120.665 120.500 0.204 0.000 2.170 313 R HA -0.169 4.171 4.340 0.000 0.000 0.242 313 R C 2.317 178.680 176.300 0.105 0.000 1.145 313 R CA 0.868 57.032 56.100 0.106 0.000 0.984 313 R CB -0.301 30.040 30.300 0.067 0.000 0.869 313 R HN 0.327 nan 8.270 nan 0.000 0.455 314 A N 1.443 124.321 122.820 0.096 0.000 1.832 314 A HA -0.122 4.198 4.320 0.000 0.000 0.214 314 A C 2.181 179.812 177.584 0.080 0.000 1.200 314 A CA 1.010 53.092 52.037 0.075 0.000 0.610 314 A CB -0.627 18.407 19.000 0.057 0.000 0.842 314 A HN 0.131 nan 8.150 nan 0.000 0.444 315 L N -1.376 119.889 121.223 0.071 0.000 1.943 315 L HA -0.254 4.086 4.340 0.000 0.000 0.215 315 L C 2.769 179.683 176.870 0.073 0.000 1.074 315 L CA 1.893 56.763 54.840 0.049 0.000 0.759 315 L CB -1.052 41.015 42.059 0.014 0.000 0.888 315 L HN 0.647 nan 8.230 nan 0.000 0.433 316 H N 0.624 119.677 119.070 -0.029 0.000 2.297 316 H HA -0.298 4.258 4.556 0.000 0.000 0.289 316 H C 2.042 177.381 175.328 0.019 0.000 1.105 316 H CA 2.360 58.404 56.048 -0.006 0.000 1.219 316 H CB -0.038 29.730 29.762 0.011 0.000 1.351 316 H HN 0.380 nan 8.280 nan 0.000 0.481 317 A N 0.797 123.804 122.820 0.312 0.000 1.851 317 A HA -0.263 4.057 4.320 0.000 0.000 0.216 317 A C 2.537 180.181 177.584 0.100 0.000 1.195 317 A CA 2.162 54.329 52.037 0.216 0.000 0.622 317 A CB -1.116 17.970 19.000 0.144 0.000 0.831 317 A HN 0.682 nan 8.150 nan 0.000 0.444 318 Q N -1.196 118.647 119.800 0.071 0.000 2.308 318 Q HA -0.013 4.327 4.340 0.000 0.000 0.209 318 Q C 0.863 176.870 176.000 0.011 0.000 0.985 318 Q CA 1.228 57.054 55.803 0.037 0.000 0.881 318 Q CB -0.377 28.381 28.738 0.032 0.000 0.917 318 Q HN 1.200 nan 8.270 nan 0.000 0.443 319 G N 1.488 110.279 108.800 -0.015 0.000 2.526 319 G HA2 -0.185 3.775 3.960 0.000 0.000 0.225 319 G HA3 -0.185 3.775 3.960 0.000 0.000 0.225 319 G C -1.032 173.829 174.900 -0.066 0.000 1.120 319 G CA 0.054 45.115 45.100 -0.064 0.000 0.904 319 G HN 0.411 nan 8.290 nan 0.000 0.498 320 D N 0.470 120.825 120.400 -0.074 0.000 2.256 320 D HA 0.543 5.183 4.640 0.000 0.000 0.240 320 D C 0.013 176.272 176.300 -0.068 0.000 1.062 320 D CA -1.691 52.279 54.000 -0.050 0.000 0.832 320 D CB 2.000 42.787 40.800 -0.023 0.000 1.135 320 D HN 0.122 nan 8.370 nan 0.000 0.484 321 P HA -0.118 nan 4.420 nan 0.000 0.206 321 P C 1.215 178.507 177.300 -0.013 0.000 1.209 321 P CA 1.300 64.379 63.100 -0.036 0.000 0.923 321 P CB -0.218 31.469 31.700 -0.022 0.000 0.761 322 A N 0.935 123.755 122.820 -0.001 0.000 1.962 322 A HA -0.236 4.085 4.320 0.000 0.000 0.239 322 A C 1.504 179.107 177.584 0.030 0.000 1.810 322 A CA 1.765 53.810 52.037 0.015 0.000 0.738 322 A CB -2.184 16.827 19.000 0.018 0.000 0.839 322 A HN 0.336 nan 8.150 nan 0.000 0.533 323 L N 0.536 121.768 121.223 0.016 0.000 2.769 323 L HA -0.064 4.276 4.340 0.000 0.000 0.293 323 L C 1.176 178.114 176.870 0.112 0.000 1.224 323 L CA 0.244 55.094 54.840 0.018 0.000 0.906 323 L CB -0.436 41.556 42.059 -0.112 0.000 1.193 323 L HN 0.522 nan 8.230 nan 0.000 0.488 324 S N 3.320 119.144 115.700 0.207 0.000 2.658 324 S HA 0.172 4.642 4.470 0.000 0.000 0.249 324 S C 0.836 175.594 174.600 0.263 0.000 1.363 324 S CA 0.243 58.562 58.200 0.198 0.000 0.964 324 S CB 0.451 63.773 63.200 0.204 0.000 0.973 324 S HN 0.671 nan 8.310 nan 0.000 0.588 325 M N 0.734 120.381 119.600 0.079 0.000 2.314 325 M HA 0.177 4.657 4.480 0.000 0.000 0.383 325 M C 0.822 176.784 176.300 -0.563 0.000 0.984 325 M CA -0.188 55.126 55.300 0.024 0.000 0.982 325 M CB 0.688 33.298 32.600 0.017 0.000 1.745 325 M HN 0.460 nan 8.290 nan 0.000 0.600 326 S N -1.105 114.185 115.700 -0.683 0.000 2.811 326 S HA 0.239 4.709 4.470 0.000 0.000 0.237 326 S C 0.354 174.147 174.600 -1.345 0.000 1.038 326 S CA 0.351 58.001 58.200 -0.915 0.000 0.881 326 S CB 0.337 63.368 63.200 -0.280 0.000 0.815 326 S HN 0.369 nan 8.310 nan 0.000 0.582 327 H N -1.621 117.085 119.070 -0.607 0.000 3.117 327 H HA 0.571 5.127 4.556 0.000 0.000 0.288 327 H C -1.004 174.267 175.328 -0.096 0.000 1.604 327 H CA -1.201 54.630 56.048 -0.361 0.000 1.488 327 H CB 0.261 29.863 29.762 -0.265 0.000 1.813 327 H HN 0.264 nan 8.280 nan 0.000 0.817 328 W N -0.130 121.267 121.300 0.161 0.000 2.485 328 W HA 0.396 5.056 4.660 0.000 0.000 0.364 328 W C 0.396 176.954 176.519 0.064 0.000 1.171 328 W CA -0.751 56.609 57.345 0.025 0.000 1.304 328 W CB 0.862 30.327 29.460 0.008 0.000 1.335 328 W HN 0.227 nan 8.180 nan 0.000 0.643 329 M N 2.878 122.777 119.600 0.499 0.000 2.915 329 M HA 0.143 4.623 4.480 0.000 0.000 0.206 329 M C -1.115 175.418 176.300 0.390 0.000 1.271 329 M CA 0.447 55.964 55.300 0.362 0.000 1.122 329 M CB -1.314 31.494 32.600 0.346 0.000 1.655 329 M HN 0.291 nan 8.290 nan 0.000 0.434 330 F N -3.743 116.375 119.950 0.280 0.000 2.626 330 F HA 0.432 4.960 4.527 0.000 0.000 0.311 330 F C -0.207 175.722 175.800 0.215 0.000 1.088 330 F CA -1.451 56.704 58.000 0.258 0.000 0.949 330 F CB 0.634 39.871 39.000 0.396 0.000 1.322 330 F HN -0.066 nan 8.300 nan 0.000 0.461 331 H N 3.258 122.447 119.070 0.199 0.000 3.289 331 H HA 0.092 4.648 4.556 0.000 0.000 0.248 331 H C 0.653 176.065 175.328 0.140 0.000 1.175 331 H CA 0.893 56.956 56.048 0.025 0.000 1.496 331 H CB 0.769 30.509 29.762 -0.037 0.000 1.571 331 H HN 0.866 nan 8.280 nan 0.000 0.495 332 Q N 2.767 122.562 119.800 -0.009 0.000 2.119 332 Q HA -0.175 4.165 4.340 0.000 0.000 0.201 332 Q C 2.031 178.217 176.000 0.311 0.000 0.972 332 Q CA 1.060 56.943 55.803 0.134 0.000 0.847 332 Q CB 0.270 28.995 28.738 -0.021 0.000 0.903 332 Q HN 0.712 nan 8.270 nan 0.000 0.433 333 Q N 0.603 120.579 119.800 0.293 0.000 1.965 333 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 333 Q C 2.083 178.292 176.000 0.348 0.000 0.981 333 Q CA 1.294 57.279 55.803 0.304 0.000 0.834 333 Q CB -0.218 28.684 28.738 0.274 0.000 0.900 333 Q HN 0.377 nan 8.270 nan 0.000 0.426 334 A N 0.624 123.665 122.820 0.369 0.000 2.148 334 A HA -0.198 4.122 4.320 0.000 0.000 0.222 334 A C 1.860 179.568 177.584 0.207 0.000 1.161 334 A CA 1.290 53.386 52.037 0.099 0.000 0.662 334 A CB -0.546 18.230 19.000 -0.373 0.000 0.799 334 A HN 0.484 nan 8.150 nan 0.000 0.466 335 L N -0.880 120.536 121.223 0.322 0.000 2.084 335 L HA -0.042 4.298 4.340 0.000 0.000 0.202 335 L C 2.416 179.503 176.870 0.362 0.000 1.074 335 L CA 2.114 57.172 54.840 0.363 0.000 0.757 335 L CB -0.785 41.582 42.059 0.513 0.000 0.918 335 L HN 0.447 nan 8.230 nan 0.000 0.444 336 Q N -0.286 119.709 119.800 0.324 0.000 2.096 336 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 336 Q C 1.917 178.052 176.000 0.225 0.000 0.982 336 Q CA 1.935 57.891 55.803 0.256 0.000 0.850 336 Q CB -0.224 28.648 28.738 0.222 0.000 0.901 336 Q HN 0.581 nan 8.270 nan 0.000 0.422 337 E N -0.689 119.643 120.200 0.221 0.000 2.463 337 E HA -0.190 4.160 4.350 0.000 0.000 0.201 337 E C 0.969 177.729 176.600 0.267 0.000 1.045 337 E CA 0.602 57.108 56.400 0.177 0.000 0.872 337 E CB 0.112 29.865 29.700 0.089 0.000 0.797 337 E HN 0.396 nan 8.360 nan 0.000 0.538 338 Y N -0.071 120.340 120.300 0.185 0.000 2.472 338 Y HA 0.113 4.663 4.550 0.000 0.000 0.288 338 Y C 1.802 177.813 175.900 0.186 0.000 1.154 338 Y CA 0.263 58.500 58.100 0.228 0.000 1.238 338 Y CB -0.096 38.484 38.460 0.200 0.000 1.287 338 Y HN -0.142 nan 8.280 nan 0.000 0.524 339 I N 0.610 121.242 120.570 0.103 0.000 2.236 339 I HA -0.357 3.813 4.170 0.000 0.000 0.249 339 I C 2.025 178.124 176.117 -0.031 0.000 1.102 339 I CA 1.730 63.028 61.300 -0.002 0.000 1.365 339 I CB -0.463 37.613 38.000 0.126 0.000 1.051 339 I HN 0.304 nan 8.210 nan 0.000 0.420 340 L N -0.653 120.602 121.223 0.053 0.000 2.102 340 L HA -0.075 4.265 4.340 0.000 0.000 0.202 340 L C 2.435 179.351 176.870 0.076 0.000 1.076 340 L CA 1.115 56.002 54.840 0.077 0.000 0.761 340 L CB -0.278 41.850 42.059 0.115 0.000 0.921 340 L HN 0.190 nan 8.230 nan 0.000 0.444 341 M N -1.771 117.896 119.600 0.111 0.000 2.541 341 M HA -0.029 4.451 4.480 0.000 0.000 0.252 341 M C 1.144 177.448 176.300 0.007 0.000 1.125 341 M CA 0.510 55.902 55.300 0.154 0.000 1.091 341 M CB 0.175 32.992 32.600 0.363 0.000 1.420 341 M HN 0.363 nan 8.290 nan 0.000 0.486 342 C N -2.302 116.893 119.300 -0.175 0.000 3.882 342 C HA 0.188 4.648 4.460 0.000 0.000 0.340 342 C C 1.702 176.500 174.990 -0.319 0.000 1.563 342 C CA -0.583 58.253 59.018 -0.303 0.000 1.870 342 C CB -0.341 27.111 27.740 -0.479 0.000 2.795 342 C HN 0.572 nan 8.230 nan 0.000 0.692 343 C N 0.521 119.648 119.300 -0.289 0.000 3.183 343 C HA 0.196 4.656 4.460 0.000 0.000 0.285 343 C C 0.794 175.727 174.990 -0.094 0.000 1.313 343 C CA -0.098 58.810 59.018 -0.184 0.000 1.711 343 C CB -1.307 26.327 27.740 -0.177 0.000 2.135 343 C HN 0.605 nan 8.230 nan 0.000 0.651 344 Q N 0.177 119.948 119.800 -0.048 0.000 2.230 344 Q HA 0.379 4.719 4.340 0.000 0.000 0.248 344 Q C -0.537 175.474 176.000 0.019 0.000 0.915 344 Q CA -0.012 55.809 55.803 0.029 0.000 0.900 344 Q CB 1.529 30.340 28.738 0.121 0.000 1.229 344 Q HN 0.436 nan 8.270 nan 0.000 0.439 345 C N 3.517 122.844 119.300 0.046 0.000 2.350 345 C HA 0.350 4.810 4.460 0.000 0.000 0.348 345 C C -1.352 173.637 174.990 -0.002 0.000 1.260 345 C CA -1.988 57.017 59.018 -0.022 0.000 1.966 345 C CB 0.341 28.018 27.740 -0.106 0.000 2.380 345 C HN 0.758 nan 8.230 nan 0.000 0.535 346 P HA -0.108 nan 4.420 nan 0.000 0.214 346 P C 1.418 178.691 177.300 -0.044 0.000 1.163 346 P CA 2.514 65.595 63.100 -0.032 0.000 0.883 346 P CB 0.055 31.732 31.700 -0.037 0.000 0.788 347 A N -1.116 121.667 122.820 -0.060 0.000 1.902 347 A HA 0.279 4.600 4.320 0.000 0.000 0.217 347 A C 1.256 178.801 177.584 -0.064 0.000 1.181 347 A CA 1.824 53.822 52.037 -0.066 0.000 0.623 347 A CB -1.182 17.764 19.000 -0.091 0.000 0.818 347 A HN 0.406 nan 8.150 nan 0.000 0.443 348 G N -4.521 104.232 108.800 -0.079 0.000 2.353 348 G HA2 0.558 4.518 3.960 0.000 0.000 0.308 348 G HA3 0.558 4.518 3.960 0.000 0.000 0.308 348 G C 0.239 175.109 174.900 -0.049 0.000 1.418 348 G CA 0.083 45.201 45.100 0.030 0.000 0.966 348 G HN 2.209 nan 8.290 nan 0.000 0.638 349 G N -1.640 107.391 108.800 0.386 0.000 2.819 349 G HA2 0.274 4.234 3.960 0.000 0.000 0.682 349 G HA3 0.274 4.234 3.960 0.000 0.000 0.682 349 G C -0.501 174.289 174.900 -0.183 0.000 1.481 349 G CA 0.199 45.297 45.100 -0.004 0.000 0.904 349 G HN 1.528 nan 8.290 nan 0.000 0.563 350 L N 0.120 121.222 121.223 -0.203 0.000 2.347 350 L HA 0.980 5.320 4.340 0.000 0.000 0.268 350 L C 0.614 177.421 176.870 -0.104 0.000 1.019 350 L CA -0.580 54.165 54.840 -0.158 0.000 0.806 350 L CB 1.478 43.440 42.059 -0.163 0.000 1.339 350 L HN 1.153 nan 8.230 nan 0.000 0.463 351 L N -3.722 117.454 121.223 -0.079 0.000 2.669 351 L HA 0.639 4.979 4.340 0.000 0.000 0.255 351 L C 0.265 177.148 176.870 0.023 0.000 1.123 351 L CA -0.585 54.176 54.840 -0.132 0.000 0.941 351 L CB 0.019 41.965 42.059 -0.189 0.000 1.552 351 L HN 0.441 nan 8.230 nan 0.000 0.394 352 D N 0.227 120.586 120.400 -0.069 0.000 2.087 352 D HA -0.058 4.582 4.640 0.000 0.000 0.218 352 D C -0.150 176.250 176.300 0.167 0.000 0.982 352 D CA 1.913 56.023 54.000 0.182 0.000 0.900 352 D CB 0.329 41.178 40.800 0.081 0.000 1.072 352 D HN 0.706 nan 8.370 nan 0.000 0.459 353 K N -0.504 119.956 120.400 0.101 0.000 2.444 353 K HA 0.587 4.907 4.320 0.000 0.000 0.252 353 K C -2.827 173.783 176.600 0.018 0.000 0.993 353 K CA -1.964 54.394 56.287 0.119 0.000 0.847 353 K CB 1.586 34.190 32.500 0.173 0.000 1.340 353 K HN -0.196 nan 8.250 nan 0.000 0.446 354 P HA -0.047 nan 4.420 nan 0.000 0.257 354 P C -0.079 177.199 177.300 -0.036 0.000 1.162 354 P CA 1.596 64.671 63.100 -0.043 0.000 0.762 354 P CB 0.134 31.802 31.700 -0.053 0.000 0.753 355 G N 1.924 110.693 108.800 -0.052 0.000 2.545 355 G HA2 -0.192 3.768 3.960 0.000 0.000 0.279 355 G HA3 -0.192 3.768 3.960 0.000 0.000 0.279 355 G C -0.389 174.478 174.900 -0.054 0.000 1.131 355 G CA -0.279 44.791 45.100 -0.050 0.000 1.100 355 G HN 0.670 nan 8.290 nan 0.000 0.525 356 K N 0.535 120.889 120.400 -0.078 0.000 2.606 356 K HA 0.496 4.816 4.320 0.000 0.000 0.259 356 K C 0.648 177.163 176.600 -0.141 0.000 1.001 356 K CA -0.094 56.136 56.287 -0.096 0.000 0.881 356 K CB 0.830 33.277 32.500 -0.088 0.000 1.288 356 K HN 1.054 nan 8.250 nan 0.000 0.452 357 S N 4.172 119.793 115.700 -0.132 0.000 3.631 357 S HA -0.142 4.328 4.470 0.000 0.000 0.431 357 S C 0.403 174.882 174.600 -0.201 0.000 1.132 357 S CA -0.066 58.044 58.200 -0.150 0.000 1.188 357 S CB -0.315 62.808 63.200 -0.128 0.000 0.805 357 S HN 0.655 nan 8.310 nan 0.000 0.526 358 R N 1.729 122.100 120.500 -0.215 0.000 2.697 358 R HA 0.283 4.623 4.340 0.000 0.000 0.265 358 R C -0.732 175.454 176.300 -0.190 0.000 1.009 358 R CA 0.149 56.102 56.100 -0.245 0.000 1.099 358 R CB -0.211 29.882 30.300 -0.345 0.000 0.965 358 R HN 0.793 nan 8.270 nan 0.000 0.428 359 D N 0.822 121.142 120.400 -0.133 0.000 2.803 359 D HA 0.136 4.776 4.640 0.000 0.000 0.218 359 D C -0.299 175.976 176.300 -0.041 0.000 1.245 359 D CA -0.844 53.111 54.000 -0.076 0.000 0.821 359 D CB 0.347 41.117 40.800 -0.051 0.000 1.626 359 D HN 0.335 nan 8.370 nan 0.000 0.487 360 F N 0.287 120.329 119.950 0.153 0.000 2.271 360 F HA -0.144 4.383 4.527 0.000 0.000 0.302 360 F C 1.802 177.345 175.800 -0.430 0.000 1.063 360 F CA 0.947 58.908 58.000 -0.065 0.000 1.362 360 F CB -0.877 38.134 39.000 0.018 0.000 1.060 360 F HN 0.559 nan 8.300 nan 0.000 0.521 361 Y N 0.463 120.326 120.300 -0.728 0.000 2.090 361 Y HA -0.245 4.305 4.550 0.000 0.000 0.274 361 Y C 2.688 178.259 175.900 -0.548 0.000 1.110 361 Y CA 2.055 59.360 58.100 -1.325 0.000 1.092 361 Y CB -1.130 36.823 38.460 -0.845 0.000 0.992 361 Y HN 0.006 nan 8.280 nan 0.000 0.479 362 H N -0.221 118.657 119.070 -0.321 0.000 2.265 362 H HA -0.190 4.366 4.556 0.000 0.000 0.293 362 H C 2.175 177.327 175.328 -0.293 0.000 1.089 362 H CA 2.557 58.417 56.048 -0.313 0.000 1.244 362 H CB -1.205 28.495 29.762 -0.104 0.000 1.355 362 H HN 0.370 nan 8.280 nan 0.000 0.485 363 T N -0.406 114.124 114.554 -0.040 0.000 2.837 363 T HA -0.294 4.056 4.350 0.000 0.000 0.266 363 T C 2.302 176.920 174.700 -0.137 0.000 1.077 363 T CA 1.320 63.391 62.100 -0.049 0.000 1.133 363 T CB -0.747 68.201 68.868 0.133 0.000 0.830 363 T HN 0.550 nan 8.240 nan 0.000 0.512 364 C N -0.022 119.109 119.300 -0.280 0.000 3.096 364 C HA 0.118 4.578 4.460 0.000 0.000 0.284 364 C C 2.146 176.863 174.990 -0.454 0.000 1.379 364 C CA -0.196 58.597 59.018 -0.375 0.000 1.686 364 C CB -1.168 26.238 27.740 -0.556 0.000 2.129 364 C HN 0.547 nan 8.230 nan 0.000 0.586 365 Y N 0.332 120.317 120.300 -0.526 0.000 2.483 365 Y HA -0.081 4.469 4.550 0.000 0.000 0.291 365 Y C 2.769 178.412 175.900 -0.428 0.000 1.143 365 Y CA 1.256 58.963 58.100 -0.655 0.000 1.289 365 Y CB -1.000 36.865 38.460 -0.990 0.000 0.983 365 Y HN 0.501 nan 8.280 nan 0.000 0.556 366 C N -0.766 118.419 119.300 -0.192 0.000 2.464 366 C HA 0.001 4.461 4.460 0.000 0.000 0.278 366 C C 2.549 177.514 174.990 -0.042 0.000 1.375 366 C CA 0.581 59.553 59.018 -0.077 0.000 1.761 366 C CB -1.281 26.433 27.740 -0.043 0.000 1.944 366 C HN 0.525 nan 8.230 nan 0.000 0.509 367 L N -0.514 120.659 121.223 -0.084 0.000 2.200 367 L HA 0.004 4.344 4.340 0.000 0.000 0.200 367 L C 2.678 179.536 176.870 -0.019 0.000 1.072 367 L CA 0.988 55.799 54.840 -0.049 0.000 0.787 367 L CB -0.693 41.315 42.059 -0.085 0.000 0.957 367 L HN 0.122 nan 8.230 nan 0.000 0.459 368 S N 0.502 116.161 115.700 -0.068 0.000 2.392 368 S HA -0.194 4.276 4.470 0.000 0.000 0.232 368 S C 1.869 176.542 174.600 0.122 0.000 1.041 368 S CA 1.462 59.637 58.200 -0.041 0.000 1.026 368 S CB -0.658 62.283 63.200 -0.433 0.000 0.845 368 S HN 0.618 nan 8.310 nan 0.000 0.465 369 G N 0.153 109.020 108.800 0.111 0.000 2.679 369 G HA2 0.027 3.987 3.960 0.000 0.000 0.212 369 G HA3 0.027 3.987 3.960 0.000 0.000 0.212 369 G C 1.189 176.200 174.900 0.184 0.000 1.137 369 G CA 0.258 45.457 45.100 0.164 0.000 0.787 369 G HN 0.409 nan 8.290 nan 0.000 0.534 370 L N -0.155 121.159 121.223 0.151 0.000 2.286 370 L HA 0.308 4.648 4.340 0.000 0.000 0.203 370 L C 2.793 179.770 176.870 0.177 0.000 1.068 370 L CA 1.666 56.611 54.840 0.174 0.000 0.811 370 L CB -0.425 41.706 42.059 0.121 0.000 0.989 370 L HN 0.137 nan 8.230 nan 0.000 0.467 371 S N -0.158 115.603 115.700 0.101 0.000 2.359 371 S HA -0.182 4.288 4.470 0.000 0.000 0.224 371 S C 2.071 176.753 174.600 0.137 0.000 1.035 371 S CA 1.664 59.864 58.200 -0.000 0.000 1.018 371 S CB -0.318 62.846 63.200 -0.061 0.000 0.876 371 S HN 0.359 nan 8.310 nan 0.000 0.448 372 I N 2.230 122.930 120.570 0.216 0.000 2.087 372 I HA -0.215 3.955 4.170 0.000 0.000 0.240 372 I C 2.853 179.301 176.117 0.552 0.000 1.054 372 I CA 1.822 63.293 61.300 0.284 0.000 1.311 372 I CB -1.942 36.149 38.000 0.151 0.000 1.024 372 I HN 0.427 nan 8.210 nan 0.000 0.402 373 A N -0.313 122.845 122.820 0.563 0.000 2.125 373 A HA -0.198 4.122 4.320 0.000 0.000 0.219 373 A C 2.154 179.993 177.584 0.425 0.000 1.156 373 A CA 1.310 53.727 52.037 0.633 0.000 0.671 373 A CB -0.457 18.904 19.000 0.602 0.000 0.794 373 A HN 0.647 nan 8.150 nan 0.000 0.459 374 Q N -1.424 118.624 119.800 0.413 0.000 2.349 374 Q HA 0.070 4.410 4.340 0.000 0.000 0.209 374 Q C -0.192 176.053 176.000 0.408 0.000 0.920 374 Q CA 0.363 56.391 55.803 0.375 0.000 0.901 374 Q CB 0.176 29.183 28.738 0.449 0.000 1.021 374 Q HN 0.763 nan 8.270 nan 0.000 0.519 375 H N -1.001 118.203 119.070 0.224 0.000 2.499 375 H HA 0.470 5.026 4.556 0.000 0.000 0.340 375 H C -1.504 174.000 175.328 0.294 0.000 1.148 375 H CA -0.921 55.247 56.048 0.201 0.000 1.215 375 H CB 1.015 30.907 29.762 0.216 0.000 1.529 375 H HN -0.024 nan 8.280 nan 0.000 0.510 376 F N 0.371 120.281 119.950 -0.066 0.000 2.581 376 F HA 0.590 5.117 4.527 0.000 0.000 0.311 376 F C -0.210 175.459 175.800 -0.217 0.000 1.113 376 F CA -0.649 57.034 58.000 -0.528 0.000 0.935 376 F CB 2.042 40.482 39.000 -0.933 0.000 1.232 376 F HN 0.606 nan 8.300 nan 0.000 0.445 377 G N 2.522 110.986 108.800 -0.560 0.000 5.102 377 G HA2 0.227 4.187 3.960 0.000 0.000 0.212 377 G HA3 0.227 4.187 3.960 0.000 0.000 0.212 377 G C -1.076 173.675 174.900 -0.249 0.000 0.832 377 G CA -0.293 44.722 45.100 -0.142 0.000 0.718 377 G HN 0.708 nan 8.290 nan 0.000 0.506 378 S N 0.916 116.243 115.700 -0.622 0.000 2.681 378 S HA 0.614 5.084 4.470 0.000 0.000 0.313 378 S C 0.896 175.556 174.600 0.100 0.000 1.137 378 S CA 0.869 58.965 58.200 -0.174 0.000 1.045 378 S CB -0.395 62.790 63.200 -0.026 0.000 1.208 378 S HN 1.890 nan 8.310 nan 0.000 0.523 379 G N 2.774 111.590 108.800 0.026 0.000 2.422 379 G HA2 0.118 4.078 3.960 0.000 0.000 0.607 379 G HA3 0.118 4.078 3.960 0.000 0.000 0.607 379 G C 0.509 175.455 174.900 0.077 0.000 1.270 379 G CA -0.329 44.811 45.100 0.065 0.000 0.992 379 G HN 1.128 nan 8.290 nan 0.000 0.499 380 A N -0.225 122.643 122.820 0.079 0.000 2.121 380 A HA 0.378 4.698 4.320 0.000 0.000 0.218 380 A C 1.719 179.349 177.584 0.078 0.000 1.154 380 A CA 2.061 54.139 52.037 0.068 0.000 0.679 380 A CB -0.737 18.298 19.000 0.059 0.000 0.795 380 A HN 1.697 nan 8.150 nan 0.000 0.458 381 M N -0.801 118.860 119.600 0.101 0.000 2.228 381 M HA 0.648 5.128 4.480 0.000 0.000 0.326 381 M C -0.954 175.437 176.300 0.152 0.000 1.122 381 M CA 0.265 55.625 55.300 0.101 0.000 1.161 381 M CB 0.485 33.139 32.600 0.089 0.000 1.437 381 M HN 0.046 nan 8.290 nan 0.000 0.465 382 L N 1.073 122.359 121.223 0.105 0.000 2.424 382 L HA 0.583 4.923 4.340 0.000 0.000 0.258 382 L C -1.304 175.598 176.870 0.054 0.000 0.995 382 L CA -0.852 54.064 54.840 0.127 0.000 0.821 382 L CB 2.258 44.363 42.059 0.077 0.000 1.383 382 L HN 0.927 nan 8.230 nan 0.000 0.410 383 H N 0.346 119.335 119.070 -0.135 0.000 3.222 383 H HA 0.363 4.919 4.556 0.000 0.000 0.315 383 H C -1.841 173.311 175.328 -0.292 0.000 1.116 383 H CA -0.633 55.249 56.048 -0.276 0.000 1.511 383 H CB 1.115 30.602 29.762 -0.460 0.000 2.059 383 H HN 0.505 nan 8.280 nan 0.000 0.420 384 D N 2.788 122.829 120.400 -0.599 0.000 2.432 384 D HA 0.481 5.121 4.640 0.000 0.000 0.258 384 D C -0.167 175.714 176.300 -0.699 0.000 1.146 384 D CA -0.493 53.166 54.000 -0.569 0.000 1.015 384 D CB 1.754 42.297 40.800 -0.428 0.000 1.107 384 D HN 0.243 nan 8.370 nan 0.000 0.529 385 V N 0.980 120.678 119.914 -0.361 0.000 2.670 385 V HA 0.095 4.215 4.120 0.000 0.000 0.258 385 V C -0.536 175.532 176.094 -0.043 0.000 0.906 385 V CA -0.666 61.509 62.300 -0.209 0.000 0.887 385 V CB 1.373 33.102 31.823 -0.156 0.000 1.059 385 V HN 0.262 nan 8.190 nan 0.000 0.484 386 V N 5.031 124.924 119.914 -0.034 0.000 2.356 386 V HA 0.338 4.458 4.120 0.000 0.000 0.258 386 V C 0.630 176.747 176.094 0.039 0.000 1.065 386 V CA -0.027 62.289 62.300 0.027 0.000 0.935 386 V CB 0.854 32.688 31.823 0.018 0.000 1.061 386 V HN 0.610 nan 8.190 nan 0.000 0.484 387 M N 3.057 122.698 119.600 0.068 0.000 2.228 387 M HA 0.537 5.017 4.480 0.000 0.000 0.326 387 M C 1.020 177.357 176.300 0.061 0.000 1.122 387 M CA 0.898 56.239 55.300 0.067 0.000 1.161 387 M CB 0.729 33.386 32.600 0.096 0.000 1.437 387 M HN 0.881 nan 8.290 nan 0.000 0.465 388 G N 0.565 109.392 108.800 0.045 0.000 2.632 388 G HA2 -0.127 3.833 3.960 0.000 0.000 0.224 388 G HA3 -0.127 3.833 3.960 0.000 0.000 0.224 388 G C -0.444 174.470 174.900 0.023 0.000 1.341 388 G CA -0.390 44.732 45.100 0.036 0.000 0.880 388 G HN 1.129 nan 8.290 nan 0.000 0.566 389 V N -1.993 117.934 119.914 0.022 0.000 2.715 389 V HA 0.527 4.647 4.120 0.000 0.000 0.299 389 V C -0.653 175.453 176.094 0.019 0.000 1.054 389 V CA -0.383 61.925 62.300 0.013 0.000 1.077 389 V CB 1.161 32.990 31.823 0.010 0.000 0.972 389 V HN 0.565 nan 8.190 nan 0.000 0.484 390 P HA -0.093 nan 4.420 nan 0.000 0.225 390 P C 0.487 177.798 177.300 0.018 0.000 1.141 390 P CA 1.165 64.272 63.100 0.012 0.000 0.774 390 P CB 0.080 31.782 31.700 0.003 0.000 0.760 391 E N -1.282 118.930 120.200 0.020 0.000 2.423 391 E HA 0.099 4.449 4.350 0.000 0.000 0.198 391 E C 0.514 177.136 176.600 0.037 0.000 1.038 391 E CA 0.053 56.466 56.400 0.021 0.000 1.011 391 E CB -0.726 28.980 29.700 0.011 0.000 1.118 391 E HN 0.195 nan 8.360 nan 0.000 0.451 392 N N -0.457 118.273 118.700 0.050 0.000 2.177 392 N HA 0.064 4.804 4.740 0.000 0.000 0.218 392 N C -0.499 175.066 175.510 0.090 0.000 1.182 392 N CA 0.023 53.115 53.050 0.070 0.000 0.882 392 N CB 1.303 39.836 38.487 0.076 0.000 1.052 392 N HN -0.032 nan 8.380 nan 0.000 0.519 393 V N 2.695 122.664 119.914 0.092 0.000 2.439 393 V HA 0.203 4.323 4.120 0.000 0.000 0.271 393 V C 0.717 176.890 176.094 0.132 0.000 1.040 393 V CA -0.162 62.227 62.300 0.148 0.000 1.002 393 V CB 0.541 32.443 31.823 0.131 0.000 1.000 393 V HN 0.054 nan 8.190 nan 0.000 0.477 394 L N 3.970 125.266 121.223 0.122 0.000 2.448 394 L HA 0.457 4.797 4.340 0.000 0.000 0.258 394 L C 0.475 177.348 176.870 0.004 0.000 1.104 394 L CA -0.895 53.961 54.840 0.026 0.000 0.800 394 L CB 0.596 42.638 42.059 -0.029 0.000 1.241 394 L HN 0.480 nan 8.230 nan 0.000 0.472 395 Q N 1.572 121.353 119.800 -0.032 0.000 2.354 395 Q HA 0.259 4.599 4.340 0.000 0.000 0.244 395 Q C -2.181 173.762 176.000 -0.095 0.000 0.969 395 Q CA -1.647 54.149 55.803 -0.013 0.000 0.885 395 Q CB 0.396 29.122 28.738 -0.019 0.000 1.241 395 Q HN 0.290 nan 8.270 nan 0.000 0.461 396 P HA 0.025 nan 4.420 nan 0.000 0.270 396 P C -0.740 176.588 177.300 0.047 0.000 1.227 396 P CA 0.045 63.133 63.100 -0.021 0.000 0.788 396 P CB 0.602 32.383 31.700 0.136 0.000 0.926 397 T N 0.754 115.371 114.554 0.105 0.000 2.921 397 T HA 0.147 4.497 4.350 0.000 0.000 0.297 397 T C -0.364 174.501 174.700 0.274 0.000 1.013 397 T CA -0.358 61.873 62.100 0.218 0.000 0.990 397 T CB 0.451 69.462 68.868 0.237 0.000 1.023 397 T HN 0.441 nan 8.240 nan 0.000 0.447 398 H N 6.078 125.300 119.070 0.253 0.000 3.004 398 H HA 0.070 4.626 4.556 0.000 0.000 0.316 398 H C -1.463 174.093 175.328 0.380 0.000 1.014 398 H CA -1.518 54.702 56.048 0.287 0.000 1.454 398 H CB 1.308 31.244 29.762 0.291 0.000 1.472 398 H HN 0.303 nan 8.280 nan 0.000 0.571 399 P HA -0.165 nan 4.420 nan 0.000 0.218 399 P C 1.176 178.818 177.300 0.570 0.000 1.146 399 P CA 0.903 64.168 63.100 0.276 0.000 0.813 399 P CB 0.543 32.228 31.700 -0.025 0.000 0.778 400 V N -2.729 117.705 119.914 0.867 0.000 3.431 400 V HA 0.026 4.146 4.120 0.000 0.000 0.253 400 V C 1.763 178.190 176.094 0.555 0.000 1.184 400 V CA 0.975 63.622 62.300 0.578 0.000 1.104 400 V CB -0.726 31.348 31.823 0.418 0.000 0.799 400 V HN 0.000 nan 8.190 nan 0.000 0.462 401 Y N -1.194 119.470 120.300 0.607 0.000 2.426 401 Y HA 0.349 4.899 4.550 0.000 0.000 0.249 401 Y C 1.356 177.526 175.900 0.450 0.000 1.103 401 Y CA -0.075 58.306 58.100 0.468 0.000 1.256 401 Y CB 0.459 38.989 38.460 0.115 0.000 1.208 401 Y HN 0.226 nan 8.280 nan 0.000 0.519 402 N N 1.840 120.914 118.700 0.623 0.000 2.740 402 N HA -0.197 4.543 4.740 0.000 0.000 0.248 402 N C -0.901 174.665 175.510 0.093 0.000 1.062 402 N CA 1.212 54.414 53.050 0.252 0.000 0.704 402 N CB -1.391 37.042 38.487 -0.090 0.000 0.968 402 N HN 0.682 nan 8.380 nan 0.000 0.547 403 I N -4.480 116.285 120.570 0.326 0.000 2.994 403 I HA 0.596 4.766 4.170 0.000 0.000 0.306 403 I C 1.011 177.305 176.117 0.296 0.000 1.195 403 I CA -0.831 60.670 61.300 0.334 0.000 1.001 403 I CB 1.464 39.611 38.000 0.245 0.000 1.244 403 I HN -0.034 nan 8.210 nan 0.000 0.437 404 G N 3.828 112.760 108.800 0.221 0.000 2.420 404 G HA2 0.023 3.983 3.960 0.000 0.000 0.273 404 G HA3 0.023 3.983 3.960 0.000 0.000 0.273 404 G C -1.836 173.165 174.900 0.169 0.000 0.671 404 G CA -0.271 44.917 45.100 0.148 0.000 1.054 404 G HN 0.674 nan 8.290 nan 0.000 0.295 405 P HA -0.103 nan 4.420 nan 0.000 0.224 405 P C 1.328 178.722 177.300 0.157 0.000 1.142 405 P CA 1.581 64.811 63.100 0.217 0.000 0.778 405 P CB 0.276 32.074 31.700 0.163 0.000 0.764 406 D N -1.858 118.608 120.400 0.111 0.000 2.431 406 D HA -0.032 4.608 4.640 0.000 0.000 0.235 406 D C 1.433 177.770 176.300 0.062 0.000 0.980 406 D CA 0.573 54.620 54.000 0.078 0.000 0.912 406 D CB -0.527 40.310 40.800 0.062 0.000 1.056 406 D HN -0.007 nan 8.370 nan 0.000 0.494 407 K N 1.096 121.532 120.400 0.061 0.000 2.360 407 K HA 0.006 4.326 4.320 0.000 0.000 0.201 407 K C 2.250 178.874 176.600 0.040 0.000 1.046 407 K CA 0.245 56.562 56.287 0.050 0.000 0.945 407 K CB -0.121 32.404 32.500 0.042 0.000 0.750 407 K HN 0.178 nan 8.250 nan 0.000 0.464 408 V N 1.367 121.290 119.914 0.014 0.000 2.302 408 V HA -0.158 3.962 4.120 0.000 0.000 0.243 408 V C 2.317 178.378 176.094 -0.056 0.000 1.036 408 V CA 1.216 63.456 62.300 -0.101 0.000 1.020 408 V CB -0.363 31.346 31.823 -0.191 0.000 0.657 408 V HN 0.143 nan 8.190 nan 0.000 0.453 409 I N -0.065 120.511 120.570 0.010 0.000 2.208 409 I HA -0.342 3.828 4.170 0.000 0.000 0.245 409 I C 2.666 178.791 176.117 0.013 0.000 1.097 409 I CA 1.916 63.230 61.300 0.023 0.000 1.363 409 I CB -0.383 37.646 38.000 0.048 0.000 1.051 409 I HN 0.421 nan 8.210 nan 0.000 0.413 410 Q N 0.926 120.740 119.800 0.024 0.000 1.993 410 Q HA -0.229 4.111 4.340 0.000 0.000 0.202 410 Q C 2.416 178.404 176.000 -0.019 0.000 0.984 410 Q CA 2.072 57.886 55.803 0.018 0.000 0.837 410 Q CB -0.165 28.609 28.738 0.060 0.000 0.902 410 Q HN 0.520 nan 8.270 nan 0.000 0.423 411 A N 0.410 123.267 122.820 0.063 0.000 1.881 411 A HA -0.329 3.991 4.320 0.000 0.000 0.219 411 A C 2.304 179.872 177.584 -0.026 0.000 1.215 411 A CA 2.984 55.074 52.037 0.088 0.000 0.648 411 A CB -1.670 17.455 19.000 0.208 0.000 0.832 411 A HN 0.726 nan 8.150 nan 0.000 0.455 412 T N -3.321 111.251 114.554 0.030 0.000 2.701 412 T HA -0.118 4.232 4.350 0.000 0.000 0.263 412 T C 1.586 176.287 174.700 0.003 0.000 1.040 412 T CA 1.903 64.038 62.100 0.058 0.000 1.147 412 T CB -1.328 67.562 68.868 0.036 0.000 0.865 412 T HN 0.321 nan 8.240 nan 0.000 0.426 413 T N 0.901 115.442 114.554 -0.021 0.000 3.320 413 T HA -0.008 4.342 4.350 0.000 0.000 0.262 413 T C 1.102 175.760 174.700 -0.070 0.000 1.187 413 T CA 1.217 63.299 62.100 -0.030 0.000 1.038 413 T CB -0.488 68.370 68.868 -0.016 0.000 0.939 413 T HN 0.710 nan 8.240 nan 0.000 0.550 414 H N -0.319 118.575 119.070 -0.294 0.000 2.329 414 H HA 0.254 4.810 4.556 0.000 0.000 0.285 414 H C 1.389 176.505 175.328 -0.353 0.000 1.062 414 H CA 0.096 55.849 56.048 -0.492 0.000 1.511 414 H CB -0.538 28.567 29.762 -1.095 0.000 1.471 414 H HN 0.162 nan 8.280 nan 0.000 0.613 415 F N 1.183 120.891 119.950 -0.404 0.000 2.236 415 F HA -0.151 4.376 4.527 0.000 0.000 0.302 415 F C 2.455 178.128 175.800 -0.211 0.000 1.073 415 F CA 0.944 58.740 58.000 -0.340 0.000 1.336 415 F CB -0.831 38.093 39.000 -0.127 0.000 1.040 415 F HN 0.179 nan 8.300 nan 0.000 0.507 416 L N -0.479 120.749 121.223 0.009 0.000 2.081 416 L HA -0.255 4.085 4.340 0.000 0.000 0.212 416 L C 1.573 178.425 176.870 -0.030 0.000 1.080 416 L CA 1.259 56.102 54.840 0.006 0.000 0.754 416 L CB -0.618 41.445 42.059 0.007 0.000 0.893 416 L HN 0.170 nan 8.230 nan 0.000 0.433 417 Q N 0.547 120.295 119.800 -0.086 0.000 2.336 417 Q HA 0.035 4.375 4.340 0.000 0.000 0.231 417 Q C -0.536 175.423 176.000 -0.069 0.000 0.900 417 Q CA 0.502 56.258 55.803 -0.078 0.000 0.966 417 Q CB -0.011 28.665 28.738 -0.103 0.000 1.219 417 Q HN 0.384 nan 8.270 nan 0.000 0.412 418 K N 0.000 120.378 120.400 -0.037 0.000 2.780 418 K HA 0.000 4.320 4.320 0.000 0.000 0.191 418 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 418 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 418 K HN 0.000 nan 8.250 nan 0.000 0.543