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 1myp_1_D DATA FIRST_RESID 114 DATA SEQUENCE NcETScVQQP PcFPLKIPPN DPRIKNQADc IPFFRSCPAC PGSNITIRNQ DATA SEQUENCE INALTSFVDA SMVYGSEEPL ARNLRNMSNQ LGLLAVNQRF QDNGRALLPF DATA SEQUENCE DNLHDDPcLL TNRSARIPcF LAGDTRSSEM PELTSMHTLL LREHNRLATE DATA SEQUENCE LKSLNPRWDG ERLYQEARKI VGAMVQIITY RDYLPLVLGP TAMRKYLPTY DATA SEQUENCE RSYNDSVDPR IANVFTNAFR YGHTLIQPFM FRLDNRYQPM EPNPRVPLSR DATA SEQUENCE VFFASWRVVL EGGIDPILRG LMATPAKLNR QNQIAVDEIR ERLFEQVMRI DATA SEQUENCE GLDLPALNMQ RSRDHGLPGY NAWRRFcGLP QPETVGQLGT VLRNLKLARK DATA SEQUENCE LMEQYGTPNN IDIWMGGVSE PLKRKGRVGP LLAcIIGTQF RKLRDGDRFW DATA SEQUENCE WENEGVFSMQ QRQALAQISL PRIIcDNTGI TTVSKNNIFM SNSYPRDFVN DATA SEQUENCE cSTLPALNLA SW 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 114 N HA 0.000 nan 4.740 nan 0.000 0.220 114 N C 0.000 175.428 175.510 -0.137 0.000 1.280 114 N CA 0.000 53.045 53.050 -0.008 0.000 0.885 114 N CB 0.000 38.499 38.487 0.020 0.000 1.341 115 c N 1.400 119.756 118.600 -0.406 0.000 2.509 115 c HA 0.268 4.837 4.570 -0.001 0.000 0.301 115 c C 1.598 175.340 174.090 -0.579 0.000 1.317 115 c CA -0.336 55.568 56.329 -0.708 0.000 1.667 115 c CB -1.324 40.521 42.510 -1.109 0.000 1.717 115 c HN 0.678 nan 8.230 nan 0.000 0.595 116 E N -0.116 119.992 120.200 -0.154 0.000 2.498 116 E HA 0.028 4.378 4.350 -0.001 0.000 0.203 116 E C 1.430 178.045 176.600 0.024 0.000 1.013 116 E CA 0.323 56.766 56.400 0.072 0.000 0.927 116 E CB 0.479 30.324 29.700 0.242 0.000 1.012 116 E HN 0.506 nan 8.360 nan 0.000 0.482 117 T N -1.346 113.196 114.554 -0.020 0.000 3.029 117 T HA 0.128 4.477 4.350 -0.001 0.000 0.256 117 T C 0.193 174.879 174.700 -0.025 0.000 0.914 117 T CA -0.115 61.979 62.100 -0.011 0.000 0.880 117 T CB 0.829 69.698 68.868 0.002 0.000 1.246 117 T HN -0.091 nan 8.240 nan 0.000 0.523 118 S N -0.941 114.731 115.700 -0.047 0.000 2.758 118 S HA 0.482 4.951 4.470 -0.001 0.000 0.292 118 S C 0.163 174.738 174.600 -0.041 0.000 1.131 118 S CA -0.508 57.669 58.200 -0.039 0.000 0.997 118 S CB 1.223 64.400 63.200 -0.038 0.000 1.111 118 S HN 0.328 nan 8.310 nan 0.000 0.552 119 c N 1.596 120.181 118.600 -0.025 0.000 3.489 119 c HA 0.422 4.991 4.570 -0.001 0.000 0.264 119 c C 0.019 174.107 174.090 -0.004 0.000 2.026 119 c CA -0.498 55.821 56.329 -0.016 0.000 1.705 119 c CB -0.530 41.973 42.510 -0.012 0.000 3.389 119 c HN 0.613 nan 8.230 nan 0.000 0.459 120 V N 2.247 122.156 119.914 -0.009 0.000 2.530 120 V HA 0.312 4.431 4.120 -0.001 0.000 0.282 120 V C 0.368 176.469 176.094 0.012 0.000 1.048 120 V CA 0.318 62.618 62.300 0.000 0.000 0.997 120 V CB 1.467 33.286 31.823 -0.006 0.000 0.987 120 V HN 0.596 nan 8.190 nan 0.000 0.477 121 Q N 5.556 125.371 119.800 0.025 0.000 2.837 121 Q HA 0.328 4.667 4.340 -0.001 0.000 0.235 121 Q C -0.309 175.704 176.000 0.021 0.000 1.348 121 Q CA 0.219 56.049 55.803 0.045 0.000 0.990 121 Q CB 0.022 28.793 28.738 0.054 0.000 1.570 121 Q HN 0.863 nan 8.270 nan 0.000 0.575 122 Q N 2.673 122.484 119.800 0.019 0.000 2.416 122 Q HA 0.452 4.792 4.340 -0.001 0.000 0.281 122 Q C -2.330 173.677 176.000 0.013 0.000 1.067 122 Q CA -2.074 53.734 55.803 0.007 0.000 0.809 122 Q CB 2.379 31.117 28.738 0.001 0.000 1.418 122 Q HN 0.416 nan 8.270 nan 0.000 0.411 123 P HA -0.290 nan 4.420 nan 0.000 0.299 123 P C -2.064 175.262 177.300 0.044 0.000 1.969 123 P CA 0.694 63.806 63.100 0.021 0.000 1.765 123 P CB -1.509 30.198 31.700 0.012 0.000 0.237 124 P HA -0.261 nan 4.420 nan 0.000 0.232 124 P C 0.424 177.788 177.300 0.106 0.000 1.150 124 P CA 2.107 65.265 63.100 0.097 0.000 0.911 124 P CB -1.057 30.719 31.700 0.127 0.000 0.776 125 c N -1.541 117.085 118.600 0.043 0.000 2.520 125 c HA 0.547 5.116 4.570 -0.001 0.000 0.376 125 c C 0.478 174.725 174.090 0.262 0.000 1.268 125 c CA -0.463 55.909 56.329 0.072 0.000 2.414 125 c CB -0.442 42.035 42.510 -0.055 0.000 2.521 125 c HN 0.245 nan 8.230 nan 0.000 0.618 126 F N 3.135 123.173 119.950 0.146 0.000 3.256 126 F HA 0.376 4.903 4.527 -0.001 0.000 0.406 126 F C -2.883 173.003 175.800 0.143 0.000 1.157 126 F CA -2.810 55.289 58.000 0.164 0.000 1.278 126 F CB 0.273 39.437 39.000 0.273 0.000 2.424 126 F HN 0.405 nan 8.300 nan 0.000 0.675 127 P HA 0.270 nan 4.420 nan 0.000 0.279 127 P C -0.358 176.858 177.300 -0.139 0.000 1.239 127 P CA -0.418 62.696 63.100 0.023 0.000 0.789 127 P CB 1.454 33.182 31.700 0.048 0.000 0.933 128 L N 3.382 124.486 121.223 -0.199 0.000 2.462 128 L HA 0.086 4.425 4.340 -0.001 0.000 0.283 128 L C 1.474 178.275 176.870 -0.114 0.000 1.166 128 L CA 0.344 55.047 54.840 -0.228 0.000 0.964 128 L CB -0.866 41.061 42.059 -0.219 0.000 1.294 128 L HN 0.354 nan 8.230 nan 0.000 0.449 129 K N 4.831 125.181 120.400 -0.082 0.000 2.132 129 K HA 0.437 4.756 4.320 -0.001 0.000 0.240 129 K C -0.133 176.436 176.600 -0.053 0.000 1.036 129 K CA -0.538 55.721 56.287 -0.045 0.000 0.888 129 K CB 1.355 33.845 32.500 -0.016 0.000 1.071 129 K HN 0.486 nan 8.250 nan 0.000 0.502 130 I N -1.891 118.656 120.570 -0.038 0.000 2.569 130 I HA 0.417 4.586 4.170 -0.001 0.000 0.296 130 I C -2.729 173.369 176.117 -0.031 0.000 1.028 130 I CA -2.913 58.363 61.300 -0.039 0.000 1.082 130 I CB 1.813 39.791 38.000 -0.036 0.000 1.264 130 I HN 0.472 nan 8.210 nan 0.000 0.429 131 P HA 0.311 nan 4.420 nan 0.000 0.272 131 P C -2.422 174.864 177.300 -0.023 0.000 1.223 131 P CA -1.292 61.790 63.100 -0.029 0.000 0.784 131 P CB -0.236 31.444 31.700 -0.033 0.000 0.923 132 P HA 0.082 nan 4.420 nan 0.000 0.255 132 P C -0.196 177.096 177.300 -0.013 0.000 1.357 132 P CA 0.486 63.578 63.100 -0.015 0.000 0.839 132 P CB -0.291 31.401 31.700 -0.012 0.000 1.356 133 N N -1.013 117.677 118.700 -0.016 0.000 2.545 133 N HA 0.086 4.826 4.740 -0.001 0.000 0.283 133 N C -0.955 174.547 175.510 -0.014 0.000 1.596 133 N CA -0.254 52.788 53.050 -0.013 0.000 0.862 133 N CB 0.034 38.514 38.487 -0.012 0.000 1.422 133 N HN -0.040 nan 8.380 nan 0.000 0.489 134 D N 2.131 122.521 120.400 -0.017 0.000 2.390 134 D HA 0.170 4.809 4.640 -0.001 0.000 0.249 134 D C -0.963 175.328 176.300 -0.015 0.000 1.144 134 D CA -1.317 52.672 54.000 -0.019 0.000 0.880 134 D CB 1.818 42.604 40.800 -0.023 0.000 1.182 134 D HN 0.028 nan 8.370 nan 0.000 0.451 135 P HA -0.149 nan 4.420 nan 0.000 0.214 135 P C 1.204 178.498 177.300 -0.011 0.000 1.163 135 P CA 1.028 64.122 63.100 -0.011 0.000 0.883 135 P CB 0.187 31.881 31.700 -0.010 0.000 0.788 136 R N 0.147 120.638 120.500 -0.015 0.000 2.060 136 R HA 0.029 4.369 4.340 -0.001 0.000 0.225 136 R C 1.347 177.639 176.300 -0.013 0.000 1.155 136 R CA 0.746 56.838 56.100 -0.014 0.000 0.930 136 R CB -0.898 29.390 30.300 -0.019 0.000 0.829 136 R HN 0.136 nan 8.270 nan 0.000 0.433 137 I N 2.382 122.941 120.570 -0.017 0.000 2.311 137 I HA 0.076 4.245 4.170 -0.001 0.000 0.297 137 I C -0.175 175.934 176.117 -0.014 0.000 1.131 137 I CA 0.271 61.562 61.300 -0.016 0.000 1.289 137 I CB 0.655 38.644 38.000 -0.019 0.000 1.446 137 I HN 0.396 nan 8.210 nan 0.000 0.524 138 K N 6.919 127.313 120.400 -0.010 0.000 2.627 138 K HA 0.133 4.452 4.320 -0.001 0.000 0.212 138 K C -0.476 176.119 176.600 -0.008 0.000 1.041 138 K CA -0.104 56.178 56.287 -0.009 0.000 1.205 138 K CB -0.052 32.444 32.500 -0.006 0.000 0.936 138 K HN 0.752 nan 8.250 nan 0.000 0.489 139 N N 0.446 119.141 118.700 -0.009 0.000 2.500 139 N HA -0.022 4.718 4.740 -0.001 0.000 0.291 139 N C 0.005 175.509 175.510 -0.010 0.000 1.092 139 N CA -0.013 53.032 53.050 -0.008 0.000 0.890 139 N CB 1.715 40.198 38.487 -0.007 0.000 1.466 139 N HN -0.056 nan 8.380 nan 0.000 0.507 140 Q N 1.035 120.829 119.800 -0.010 0.000 2.364 140 Q HA -0.031 4.308 4.340 -0.001 0.000 0.209 140 Q C 1.808 177.802 176.000 -0.010 0.000 0.977 140 Q CA 1.313 57.110 55.803 -0.011 0.000 0.885 140 Q CB -0.228 28.504 28.738 -0.010 0.000 0.941 140 Q HN 0.693 nan 8.270 nan 0.000 0.464 141 A N -0.065 122.750 122.820 -0.008 0.000 2.251 141 A HA 0.067 4.386 4.320 -0.001 0.000 0.209 141 A C 0.818 178.397 177.584 -0.008 0.000 1.187 141 A CA 0.077 52.110 52.037 -0.007 0.000 0.823 141 A CB 0.099 19.097 19.000 -0.005 0.000 0.846 141 A HN 0.349 nan 8.150 nan 0.000 0.486 142 D N -1.342 119.052 120.400 -0.010 0.000 2.466 142 D HA 0.609 5.249 4.640 -0.001 0.000 0.262 142 D C -0.231 176.060 176.300 -0.016 0.000 1.177 142 D CA -0.137 53.856 54.000 -0.012 0.000 1.035 142 D CB 1.561 42.354 40.800 -0.011 0.000 1.105 142 D HN 0.259 nan 8.370 nan 0.000 0.551 143 c N -0.481 118.109 118.600 -0.017 0.000 3.276 143 c HA 0.508 5.077 4.570 -0.001 0.000 0.370 143 c C -0.931 173.146 174.090 -0.021 0.000 1.624 143 c CA -0.936 55.379 56.329 -0.024 0.000 1.179 143 c CB 0.700 43.198 42.510 -0.019 0.000 1.909 143 c HN 0.577 nan 8.230 nan 0.000 0.434 144 I N 0.383 120.937 120.570 -0.026 0.000 2.418 144 I HA 0.486 4.656 4.170 -0.001 0.000 0.287 144 I C -2.824 173.311 176.117 0.030 0.000 1.008 144 I CA -2.039 59.255 61.300 -0.009 0.000 1.104 144 I CB 1.759 39.740 38.000 -0.031 0.000 1.264 144 I HN 0.324 nan 8.210 nan 0.000 0.438 145 P HA 0.095 nan 4.420 nan 0.000 0.259 145 P C -1.197 176.220 177.300 0.194 0.000 1.211 145 P CA 0.706 63.850 63.100 0.074 0.000 0.810 145 P CB -0.311 31.447 31.700 0.097 0.000 0.815 146 F N 5.315 125.230 119.950 -0.057 0.000 2.579 146 F HA 0.450 4.976 4.527 -0.001 0.000 0.325 146 F C -0.945 174.876 175.800 0.035 0.000 1.162 146 F CA -1.063 56.960 58.000 0.037 0.000 0.946 146 F CB 0.844 39.800 39.000 -0.072 0.000 1.211 146 F HN 0.020 nan 8.300 nan 0.000 0.447 147 F N 3.740 123.450 119.950 -0.399 0.000 2.375 147 F HA 0.639 5.166 4.527 -0.001 0.000 0.317 147 F C 0.381 175.990 175.800 -0.318 0.000 1.124 147 F CA -0.974 56.889 58.000 -0.228 0.000 1.050 147 F CB 0.686 39.596 39.000 -0.150 0.000 1.314 147 F HN 0.247 nan 8.300 nan 0.000 0.511 148 R N -0.273 120.325 120.500 0.163 0.000 2.589 148 R HA 0.396 4.735 4.340 -0.001 0.000 0.293 148 R C -0.671 175.693 176.300 0.108 0.000 0.963 148 R CA -0.799 55.400 56.100 0.164 0.000 0.905 148 R CB 1.788 32.240 30.300 0.253 0.000 1.144 148 R HN 0.589 nan 8.270 nan 0.000 0.459 149 S N 1.934 117.709 115.700 0.124 0.000 2.596 149 S HA -0.029 4.440 4.470 -0.001 0.000 0.298 149 S C 0.735 175.351 174.600 0.027 0.000 1.255 149 S CA -0.313 57.944 58.200 0.094 0.000 1.083 149 S CB -0.430 62.875 63.200 0.176 0.000 0.837 149 S HN 0.749 nan 8.310 nan 0.000 0.499 150 C N 7.563 126.874 119.300 0.018 0.000 2.538 150 C HA 0.364 4.823 4.460 -0.001 0.000 0.408 150 C C -1.179 173.802 174.990 -0.015 0.000 1.421 150 C CA -1.195 57.828 59.018 0.008 0.000 1.642 150 C CB -1.002 26.743 27.740 0.009 0.000 2.553 150 C HN 0.426 nan 8.230 nan 0.000 0.604 151 P HA 0.451 nan 4.420 nan 0.000 0.276 151 P C 0.496 177.789 177.300 -0.012 0.000 1.252 151 P CA 0.592 63.680 63.100 -0.020 0.000 0.802 151 P CB 0.910 32.605 31.700 -0.008 0.000 1.035 152 A N 0.352 123.164 122.820 -0.013 0.000 2.123 152 A HA 0.072 4.391 4.320 -0.001 0.000 0.214 152 A C 0.864 178.449 177.584 0.002 0.000 1.152 152 A CA 0.711 52.746 52.037 -0.003 0.000 0.728 152 A CB -0.596 18.403 19.000 -0.002 0.000 0.814 152 A HN 0.598 nan 8.150 nan 0.000 0.464 153 C N 1.799 121.099 119.300 0.001 0.000 2.789 153 C HA 0.551 5.011 4.460 -0.001 0.000 0.324 153 C C -2.928 172.064 174.990 0.003 0.000 1.042 153 C CA -2.296 56.724 59.018 0.003 0.000 1.396 153 C CB 0.376 28.118 27.740 0.004 0.000 1.870 153 C HN 0.319 nan 8.230 nan 0.000 0.470 154 P HA 0.420 nan 4.420 nan 0.000 0.270 154 P C 0.287 177.590 177.300 0.005 0.000 1.242 154 P CA 1.121 64.224 63.100 0.006 0.000 0.768 154 P CB 0.273 31.977 31.700 0.007 0.000 0.820 155 G N 1.972 110.775 108.800 0.004 0.000 2.905 155 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.210 155 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.210 155 G C -0.132 174.769 174.900 0.002 0.000 0.991 155 G CA -0.489 44.612 45.100 0.003 0.000 1.210 155 G HN 0.619 nan 8.290 nan 0.000 0.602 156 S N 0.561 116.261 115.700 0.001 0.000 2.593 156 S HA 0.317 4.787 4.470 -0.001 0.000 0.300 156 S C 0.947 175.547 174.600 -0.000 0.000 1.267 156 S CA 0.614 58.813 58.200 -0.001 0.000 1.065 156 S CB 2.003 65.201 63.200 -0.003 0.000 0.807 156 S HN 0.703 nan 8.310 nan 0.000 0.499 157 N N 1.346 120.046 118.700 -0.000 0.000 2.836 157 N HA 0.135 4.875 4.740 -0.001 0.000 0.311 157 N C 0.742 176.252 175.510 0.000 0.000 0.752 157 N CA 0.709 53.759 53.050 0.000 0.000 1.351 157 N CB 0.369 38.857 38.487 0.001 0.000 1.334 157 N HN 0.731 nan 8.380 nan 0.000 1.396 158 I N -1.491 119.080 120.570 0.001 0.000 4.620 158 I HA 0.338 4.507 4.170 -0.001 0.000 0.347 158 I C -0.420 175.699 176.117 0.002 0.000 1.302 158 I CA 0.174 61.475 61.300 0.002 0.000 1.277 158 I CB 1.214 39.216 38.000 0.002 0.000 1.566 158 I HN -0.144 nan 8.210 nan 0.000 0.547 159 T N 2.590 117.146 114.554 0.002 0.000 2.771 159 T HA 0.544 4.893 4.350 -0.001 0.000 0.281 159 T C -0.203 174.498 174.700 0.002 0.000 0.982 159 T CA -0.264 61.838 62.100 0.003 0.000 0.978 159 T CB 0.956 69.826 68.868 0.004 0.000 0.930 159 T HN 0.093 nan 8.240 nan 0.000 0.447 160 I N 5.027 125.599 120.570 0.003 0.000 2.648 160 I HA 0.176 4.346 4.170 -0.001 0.000 0.284 160 I C 1.108 177.226 176.117 0.002 0.000 1.153 160 I CA -0.061 61.241 61.300 0.004 0.000 1.426 160 I CB 0.317 38.320 38.000 0.006 0.000 1.381 160 I HN 0.552 nan 8.210 nan 0.000 0.571 161 R N 6.033 126.533 120.500 0.001 0.000 2.543 161 R HA 0.235 4.574 4.340 -0.001 0.000 0.277 161 R C -0.762 175.531 176.300 -0.012 0.000 1.074 161 R CA -0.143 55.953 56.100 -0.006 0.000 1.076 161 R CB 0.380 30.675 30.300 -0.008 0.000 0.993 161 R HN 0.798 nan 8.270 nan 0.000 0.459 162 N N 1.143 119.829 118.700 -0.024 0.000 2.284 162 N HA 0.143 4.882 4.740 -0.001 0.000 0.289 162 N C -1.167 174.300 175.510 -0.071 0.000 1.179 162 N CA -0.796 52.232 53.050 -0.036 0.000 0.774 162 N CB 1.841 40.322 38.487 -0.009 0.000 1.548 162 N HN 0.577 nan 8.380 nan 0.000 0.473 163 Q N 1.133 120.860 119.800 -0.122 0.000 2.171 163 Q HA 0.488 4.828 4.340 -0.001 0.000 0.217 163 Q C -0.574 175.402 176.000 -0.041 0.000 0.995 163 Q CA -0.437 55.277 55.803 -0.148 0.000 0.979 163 Q CB 1.442 29.916 28.738 -0.441 0.000 1.152 163 Q HN 0.510 nan 8.270 nan 0.000 0.525 164 I N 0.469 121.034 120.570 -0.008 0.000 2.603 164 I HA 0.241 4.411 4.170 -0.001 0.000 0.300 164 I C -0.108 176.036 176.117 0.046 0.000 1.017 164 I CA -0.549 60.763 61.300 0.020 0.000 1.098 164 I CB 1.897 39.907 38.000 0.016 0.000 1.279 164 I HN 0.560 nan 8.210 nan 0.000 0.437 165 N N 3.333 122.060 118.700 0.045 0.000 2.485 165 N HA 0.377 5.116 4.740 -0.001 0.000 0.243 165 N C 0.647 176.187 175.510 0.049 0.000 0.987 165 N CA -0.096 52.987 53.050 0.055 0.000 0.940 165 N CB 1.335 39.852 38.487 0.050 0.000 1.122 165 N HN 0.792 nan 8.380 nan 0.000 0.509 166 A N 4.000 126.852 122.820 0.053 0.000 1.930 166 A HA 0.000 4.320 4.320 -0.001 0.000 0.217 166 A C 0.638 178.257 177.584 0.057 0.000 1.175 166 A CA 0.919 52.986 52.037 0.049 0.000 0.627 166 A CB -0.120 18.906 19.000 0.044 0.000 0.815 166 A HN 0.532 nan 8.150 nan 0.000 0.443 167 L N -0.609 120.654 121.223 0.066 0.000 2.569 167 L HA 0.367 4.706 4.340 -0.001 0.000 0.247 167 L C 1.052 177.964 176.870 0.070 0.000 1.135 167 L CA 0.311 55.197 54.840 0.077 0.000 0.812 167 L CB 0.318 42.431 42.059 0.090 0.000 1.431 167 L HN 0.285 nan 8.230 nan 0.000 0.499 168 T N -3.334 111.272 114.554 0.087 0.000 2.875 168 T HA 0.339 4.689 4.350 -0.001 0.000 0.284 168 T C 0.999 175.704 174.700 0.009 0.000 0.995 168 T CA -0.355 61.788 62.100 0.071 0.000 1.060 168 T CB 0.951 69.919 68.868 0.167 0.000 0.967 168 T HN 0.457 nan 8.240 nan 0.000 0.476 169 S N 1.942 117.541 115.700 -0.170 0.000 2.351 169 S HA -0.001 4.468 4.470 -0.001 0.000 0.220 169 S C 0.530 175.030 174.600 -0.167 0.000 1.035 169 S CA 0.566 58.601 58.200 -0.275 0.000 1.031 169 S CB -0.905 61.969 63.200 -0.543 0.000 0.928 169 S HN 0.717 nan 8.310 nan 0.000 0.433 170 F N 1.691 121.714 119.950 0.121 0.000 2.647 170 F HA 0.025 4.551 4.527 -0.001 0.000 0.363 170 F C 0.665 176.587 175.800 0.204 0.000 1.130 170 F CA -0.540 57.565 58.000 0.176 0.000 1.351 170 F CB -0.139 38.970 39.000 0.183 0.000 1.026 170 F HN -0.134 nan 8.300 nan 0.000 0.607 171 V N 3.752 123.964 119.914 0.497 0.000 2.313 171 V HA 0.123 4.242 4.120 -0.001 0.000 0.252 171 V C -0.457 175.853 176.094 0.361 0.000 1.112 171 V CA -0.253 62.297 62.300 0.418 0.000 0.984 171 V CB -0.616 31.524 31.823 0.529 0.000 1.157 171 V HN 0.706 nan 8.190 nan 0.000 0.493 172 D N 3.677 124.254 120.400 0.295 0.000 2.467 172 D HA 0.635 5.274 4.640 -0.001 0.000 0.245 172 D C 0.173 176.590 176.300 0.195 0.000 1.038 172 D CA -0.813 53.329 54.000 0.237 0.000 1.038 172 D CB 1.658 42.593 40.800 0.225 0.000 1.278 172 D HN 0.344 nan 8.370 nan 0.000 0.564 173 A N 0.368 123.299 122.820 0.186 0.000 3.168 173 A HA 0.343 4.662 4.320 -0.001 0.000 0.260 173 A C 1.042 178.657 177.584 0.051 0.000 1.598 173 A CA -0.500 51.581 52.037 0.072 0.000 1.285 173 A CB -1.002 17.975 19.000 -0.039 0.000 1.149 173 A HN 0.435 nan 8.150 nan 0.000 0.630 174 S N 2.040 117.811 115.700 0.119 0.000 2.359 174 S HA -0.265 4.204 4.470 -0.001 0.000 0.222 174 S C 2.291 176.939 174.600 0.079 0.000 1.038 174 S CA 1.808 60.084 58.200 0.127 0.000 1.051 174 S CB -0.535 62.750 63.200 0.142 0.000 0.944 174 S HN 0.922 nan 8.310 nan 0.000 0.433 175 M N 2.645 122.296 119.600 0.085 0.000 2.324 175 M HA -0.109 4.371 4.480 -0.001 0.000 0.255 175 M C 1.980 178.356 176.300 0.127 0.000 1.088 175 M CA 1.944 57.339 55.300 0.158 0.000 1.048 175 M CB -2.077 30.643 32.600 0.201 0.000 1.383 175 M HN 0.361 nan 8.290 nan 0.000 0.418 176 V N -0.418 119.433 119.914 -0.104 0.000 2.326 176 V HA 0.013 4.133 4.120 -0.001 0.000 0.237 176 V C 1.468 177.401 176.094 -0.267 0.000 1.044 176 V CA 0.240 62.356 62.300 -0.307 0.000 1.035 176 V CB -0.630 30.857 31.823 -0.560 0.000 0.675 176 V HN 0.310 nan 8.190 nan 0.000 0.470 177 Y N 1.442 121.780 120.300 0.062 0.000 2.433 177 Y HA 0.696 5.246 4.550 -0.001 0.000 0.411 177 Y C 1.277 177.224 175.900 0.079 0.000 1.383 177 Y CA -0.214 57.928 58.100 0.071 0.000 1.896 177 Y CB -0.740 37.768 38.460 0.081 0.000 1.750 177 Y HN 0.454 nan 8.280 nan 0.000 0.627 178 G N -1.148 107.806 108.800 0.257 0.000 3.075 178 G HA2 0.447 4.406 3.960 -0.001 0.000 0.253 178 G HA3 0.447 4.406 3.960 -0.001 0.000 0.253 178 G C -0.121 174.864 174.900 0.142 0.000 1.353 178 G CA -0.220 44.974 45.100 0.157 0.000 1.051 178 G HN 0.519 nan 8.290 nan 0.000 0.553 179 S N -1.547 114.218 115.700 0.109 0.000 2.524 179 S HA 0.275 4.745 4.470 -0.001 0.000 0.222 179 S C 0.327 174.977 174.600 0.084 0.000 1.040 179 S CA -0.047 58.214 58.200 0.101 0.000 0.915 179 S CB 0.243 63.503 63.200 0.100 0.000 0.831 179 S HN 0.631 nan 8.310 nan 0.000 0.492 180 E N 0.946 121.188 120.200 0.071 0.000 2.369 180 E HA 0.509 4.858 4.350 -0.001 0.000 0.270 180 E C -0.342 176.291 176.600 0.055 0.000 0.909 180 E CA -1.019 55.417 56.400 0.060 0.000 0.775 180 E CB 0.876 30.605 29.700 0.047 0.000 1.270 180 E HN -0.135 nan 8.360 nan 0.000 0.445 181 E N 0.840 121.069 120.200 0.048 0.000 2.164 181 E HA -0.284 4.065 4.350 -0.001 0.000 0.233 181 E C -0.955 175.663 176.600 0.030 0.000 1.073 181 E CA 2.510 58.932 56.400 0.038 0.000 0.941 181 E CB -1.914 27.805 29.700 0.030 0.000 0.820 181 E HN 0.444 nan 8.360 nan 0.000 0.486 182 P HA -0.188 nan 4.420 nan 0.000 0.213 182 P C 1.784 179.097 177.300 0.022 0.000 1.170 182 P CA 1.178 64.289 63.100 0.018 0.000 0.902 182 P CB -0.137 31.573 31.700 0.016 0.000 0.789 183 L N -0.814 120.428 121.223 0.031 0.000 2.131 183 L HA -0.034 4.305 4.340 -0.001 0.000 0.210 183 L C 2.283 179.180 176.870 0.045 0.000 1.092 183 L CA 1.995 56.857 54.840 0.037 0.000 0.759 183 L CB -1.379 40.706 42.059 0.043 0.000 0.903 183 L HN -0.100 nan 8.230 nan 0.000 0.435 184 A N -0.610 122.243 122.820 0.056 0.000 1.902 184 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 184 A C 2.524 180.120 177.584 0.019 0.000 1.181 184 A CA 1.736 53.817 52.037 0.073 0.000 0.623 184 A CB -0.684 18.375 19.000 0.098 0.000 0.818 184 A HN 0.351 nan 8.150 nan 0.000 0.443 185 R N -0.728 119.770 120.500 -0.002 0.000 2.276 185 R HA 0.039 4.378 4.340 -0.001 0.000 0.203 185 R C 1.790 178.070 176.300 -0.033 0.000 1.017 185 R CA 0.888 56.962 56.100 -0.043 0.000 1.010 185 R CB -1.459 28.814 30.300 -0.045 0.000 0.900 185 R HN 0.853 nan 8.270 nan 0.000 0.469 186 N N -0.364 118.333 118.700 -0.005 0.000 2.453 186 N HA -0.028 4.712 4.740 -0.001 0.000 0.183 186 N C 0.476 175.991 175.510 0.008 0.000 1.041 186 N CA 0.593 53.646 53.050 0.004 0.000 0.900 186 N CB 0.059 38.556 38.487 0.017 0.000 0.961 186 N HN 0.112 nan 8.380 nan 0.000 0.443 187 L N 0.450 121.677 121.223 0.007 0.000 2.791 187 L HA 0.319 4.659 4.340 -0.001 0.000 0.239 187 L C -0.131 176.737 176.870 -0.004 0.000 1.203 187 L CA 0.420 55.270 54.840 0.017 0.000 1.002 187 L CB -0.289 41.800 42.059 0.050 0.000 1.295 187 L HN 0.007 nan 8.230 nan 0.000 0.504 188 R N -0.977 119.501 120.500 -0.038 0.000 2.854 188 R HA 0.354 4.693 4.340 -0.001 0.000 0.271 188 R C -0.434 175.846 176.300 -0.033 0.000 0.994 188 R CA -0.956 55.109 56.100 -0.059 0.000 0.945 188 R CB 1.426 31.627 30.300 -0.165 0.000 1.194 188 R HN -0.145 nan 8.270 nan 0.000 0.476 189 N N 1.577 120.271 118.700 -0.009 0.000 2.411 189 N HA 0.144 4.884 4.740 -0.001 0.000 0.259 189 N C -0.145 175.358 175.510 -0.012 0.000 1.103 189 N CA 0.276 53.329 53.050 0.005 0.000 0.954 189 N CB 0.660 39.165 38.487 0.030 0.000 1.085 189 N HN 0.432 nan 8.380 nan 0.000 0.485 190 M N 0.539 120.130 119.600 -0.015 0.000 2.705 190 M HA 0.170 4.649 4.480 -0.001 0.000 0.387 190 M C -0.226 176.071 176.300 -0.005 0.000 1.204 190 M CA -0.121 55.166 55.300 -0.020 0.000 0.905 190 M CB 0.067 32.646 32.600 -0.035 0.000 1.394 190 M HN 0.286 nan 8.290 nan 0.000 0.515 191 S N 0.383 116.085 115.700 0.004 0.000 2.526 191 S HA 0.511 4.980 4.470 -0.001 0.000 0.245 191 S C -0.345 174.263 174.600 0.013 0.000 1.103 191 S CA -0.518 57.687 58.200 0.008 0.000 1.095 191 S CB -0.277 62.929 63.200 0.011 0.000 0.826 191 S HN 0.509 nan 8.310 nan 0.000 0.468 192 N N 0.258 118.966 118.700 0.014 0.000 3.533 192 N HA 0.248 4.988 4.740 -0.001 0.000 0.229 192 N C -0.634 174.891 175.510 0.025 0.000 1.418 192 N CA -0.482 52.581 53.050 0.022 0.000 0.880 192 N CB 0.873 39.377 38.487 0.028 0.000 1.415 192 N HN 0.013 nan 8.380 nan 0.000 0.491 193 Q N 0.276 120.097 119.800 0.035 0.000 2.217 193 Q HA 0.434 4.774 4.340 -0.001 0.000 0.217 193 Q C 0.425 176.462 176.000 0.063 0.000 0.844 193 Q CA 0.109 55.938 55.803 0.044 0.000 0.957 193 Q CB 0.307 29.073 28.738 0.047 0.000 1.127 193 Q HN 0.537 nan 8.270 nan 0.000 0.503 194 L N -0.005 121.254 121.223 0.060 0.000 2.447 194 L HA 0.080 4.420 4.340 -0.001 0.000 0.225 194 L C 0.991 177.917 176.870 0.093 0.000 1.148 194 L CA 1.552 56.434 54.840 0.069 0.000 0.808 194 L CB -1.059 41.034 42.059 0.057 0.000 0.928 194 L HN 0.373 nan 8.230 nan 0.000 0.448 195 G N 0.130 108.993 108.800 0.106 0.000 2.367 195 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.295 195 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.295 195 G C -0.269 174.778 174.900 0.245 0.000 1.019 195 G CA 0.061 45.259 45.100 0.163 0.000 1.224 195 G HN 0.120 nan 8.290 nan 0.000 0.510 196 L N 0.103 121.458 121.223 0.221 0.000 2.301 196 L HA 0.803 5.142 4.340 -0.001 0.000 0.264 196 L C 0.220 177.227 176.870 0.228 0.000 1.016 196 L CA -1.729 53.282 54.840 0.284 0.000 0.821 196 L CB 1.627 43.774 42.059 0.148 0.000 1.346 196 L HN 0.217 nan 8.230 nan 0.000 0.429 197 L N 1.129 122.486 121.223 0.224 0.000 2.375 197 L HA 0.613 4.952 4.340 -0.001 0.000 0.271 197 L C 0.248 177.155 176.870 0.061 0.000 1.107 197 L CA -0.310 54.577 54.840 0.078 0.000 0.806 197 L CB 1.082 43.162 42.059 0.035 0.000 1.146 197 L HN 0.743 nan 8.230 nan 0.000 0.447 198 A N 3.666 126.506 122.820 0.033 0.000 2.440 198 A HA 0.587 4.906 4.320 -0.001 0.000 0.251 198 A C -0.468 177.132 177.584 0.027 0.000 1.089 198 A CA -0.227 51.828 52.037 0.030 0.000 0.779 198 A CB 0.201 19.216 19.000 0.025 0.000 1.022 198 A HN 0.478 nan 8.150 nan 0.000 0.492 199 V N 2.130 122.061 119.914 0.030 0.000 3.040 199 V HA 0.266 4.385 4.120 -0.001 0.000 0.312 199 V C 0.273 176.387 176.094 0.034 0.000 1.115 199 V CA -1.083 61.230 62.300 0.021 0.000 0.998 199 V CB 2.071 33.911 31.823 0.029 0.000 1.042 199 V HN 1.024 nan 8.190 nan 0.000 0.433 200 N N 1.050 119.771 118.700 0.034 0.000 2.411 200 N HA 0.013 4.753 4.740 -0.001 0.000 0.261 200 N C 0.791 176.357 175.510 0.092 0.000 1.248 200 N CA 0.436 53.531 53.050 0.075 0.000 0.885 200 N CB 0.973 39.520 38.487 0.101 0.000 1.062 200 N HN 0.526 nan 8.380 nan 0.000 0.471 201 Q N 2.141 121.998 119.800 0.096 0.000 2.402 201 Q HA 0.067 4.406 4.340 -0.001 0.000 0.206 201 Q C 2.256 178.279 176.000 0.039 0.000 0.919 201 Q CA 1.360 57.200 55.803 0.061 0.000 0.923 201 Q CB 0.174 28.940 28.738 0.046 0.000 1.048 201 Q HN 0.771 nan 8.270 nan 0.000 0.515 202 R N -1.306 119.232 120.500 0.064 0.000 2.265 202 R HA 0.399 4.739 4.340 -0.001 0.000 0.194 202 R C 0.004 176.199 176.300 -0.175 0.000 0.931 202 R CA 0.622 56.666 56.100 -0.093 0.000 1.032 202 R CB 0.378 30.621 30.300 -0.095 0.000 0.980 202 R HN 0.325 nan 8.270 nan 0.000 0.497 203 F N -1.723 118.315 119.950 0.146 0.000 2.608 203 F HA 0.616 5.142 4.527 -0.001 0.000 0.309 203 F C 0.293 176.147 175.800 0.091 0.000 1.103 203 F CA -0.847 57.232 58.000 0.133 0.000 0.954 203 F CB 2.112 41.234 39.000 0.204 0.000 1.267 203 F HN 0.329 nan 8.300 nan 0.000 0.444 204 Q N 0.689 120.652 119.800 0.272 0.000 2.416 204 Q HA 0.419 4.758 4.340 -0.001 0.000 0.279 204 Q C 0.358 176.429 176.000 0.117 0.000 1.101 204 Q CA -0.360 55.537 55.803 0.157 0.000 0.830 204 Q CB 1.211 30.009 28.738 0.100 0.000 1.402 204 Q HN 0.681 nan 8.270 nan 0.000 0.445 205 D N -0.323 120.115 120.400 0.064 0.000 2.104 205 D HA -0.135 4.505 4.640 -0.001 0.000 0.194 205 D C 0.617 176.936 176.300 0.032 0.000 0.994 205 D CA 2.405 56.423 54.000 0.030 0.000 0.830 205 D CB 0.350 41.146 40.800 -0.006 0.000 0.959 205 D HN 0.732 nan 8.370 nan 0.000 0.452 206 N N -3.609 115.112 118.700 0.035 0.000 2.345 206 N HA 0.048 4.788 4.740 -0.001 0.000 0.323 206 N C 0.892 176.422 175.510 0.032 0.000 0.797 206 N CA 0.551 53.619 53.050 0.031 0.000 0.580 206 N CB 0.879 39.375 38.487 0.016 0.000 2.326 206 N HN 0.172 nan 8.380 nan 0.000 1.043 207 G N 0.442 109.258 108.800 0.028 0.000 3.163 207 G HA2 0.141 4.101 3.960 -0.001 0.000 0.152 207 G HA3 0.141 4.101 3.960 -0.001 0.000 0.152 207 G C -0.206 174.708 174.900 0.023 0.000 1.379 207 G CA -0.385 44.731 45.100 0.026 0.000 0.789 207 G HN -0.073 nan 8.290 nan 0.000 0.960 208 R N 0.903 121.413 120.500 0.016 0.000 2.615 208 R HA 0.678 5.017 4.340 -0.001 0.000 0.270 208 R C 0.502 176.807 176.300 0.010 0.000 1.081 208 R CA 0.120 56.225 56.100 0.008 0.000 1.154 208 R CB 0.787 31.085 30.300 -0.004 0.000 1.063 208 R HN 0.207 nan 8.270 nan 0.000 0.519 209 A N 1.473 124.295 122.820 0.003 0.000 2.386 209 A HA 0.345 4.664 4.320 -0.001 0.000 0.246 209 A C -0.553 177.011 177.584 -0.033 0.000 1.089 209 A CA -0.167 51.869 52.037 -0.001 0.000 0.790 209 A CB 0.369 19.369 19.000 0.000 0.000 1.042 209 A HN 0.389 nan 8.150 nan 0.000 0.497 210 L N -0.026 121.174 121.223 -0.039 0.000 2.409 210 L HA 0.538 4.877 4.340 -0.001 0.000 0.262 210 L C -0.426 176.363 176.870 -0.134 0.000 0.992 210 L CA -0.537 54.238 54.840 -0.109 0.000 0.817 210 L CB 1.619 43.674 42.059 -0.006 0.000 1.350 210 L HN 0.698 nan 8.230 nan 0.000 0.411 211 L N 4.215 125.261 121.223 -0.293 0.000 2.473 211 L HA 0.297 4.636 4.340 -0.001 0.000 0.268 211 L C -1.817 175.032 176.870 -0.035 0.000 1.215 211 L CA -1.263 53.483 54.840 -0.157 0.000 0.823 211 L CB -0.082 41.847 42.059 -0.217 0.000 1.099 211 L HN 0.519 nan 8.230 nan 0.000 0.483 212 P HA 0.107 nan 4.420 nan 0.000 0.282 212 P C -1.101 176.128 177.300 -0.117 0.000 1.286 212 P CA -0.118 62.960 63.100 -0.038 0.000 0.777 212 P CB 0.383 32.105 31.700 0.037 0.000 1.184 213 F N -0.640 119.380 119.950 0.116 0.000 2.449 213 F HA 0.241 4.767 4.527 -0.001 0.000 0.342 213 F C 0.809 176.622 175.800 0.023 0.000 1.127 213 F CA -0.477 57.547 58.000 0.040 0.000 0.975 213 F CB 0.596 39.597 39.000 0.002 0.000 1.146 213 F HN 0.105 nan 8.300 nan 0.000 0.444 214 D N 1.844 122.369 120.400 0.207 0.000 2.423 214 D HA 0.042 4.682 4.640 -0.001 0.000 0.238 214 D C 0.411 176.778 176.300 0.112 0.000 1.142 214 D CA 0.392 54.466 54.000 0.124 0.000 0.884 214 D CB 0.711 41.559 40.800 0.081 0.000 1.199 214 D HN 0.756 nan 8.370 nan 0.000 0.438 215 N N 4.072 122.822 118.700 0.083 0.000 3.131 215 N HA 0.256 4.995 4.740 -0.001 0.000 0.312 215 N C 0.207 175.769 175.510 0.087 0.000 1.433 215 N CA -0.450 52.644 53.050 0.073 0.000 1.141 215 N CB -0.387 38.147 38.487 0.078 0.000 1.431 215 N HN 0.374 nan 8.380 nan 0.000 0.523 216 L N -2.431 118.824 121.223 0.053 0.000 2.312 216 L HA 0.432 4.772 4.340 -0.001 0.000 0.281 216 L C 0.599 177.511 176.870 0.069 0.000 1.070 216 L CA -0.642 54.238 54.840 0.066 0.000 0.805 216 L CB 0.533 42.600 42.059 0.015 0.000 1.174 216 L HN 0.370 nan 8.230 nan 0.000 0.434 217 H N 0.508 119.547 119.070 -0.052 0.000 2.545 217 H HA -0.030 4.525 4.556 -0.001 0.000 0.282 217 H C -0.358 174.931 175.328 -0.065 0.000 1.020 217 H CA 1.039 57.056 56.048 -0.052 0.000 1.243 217 H CB 0.582 30.320 29.762 -0.041 0.000 1.377 217 H HN 0.705 nan 8.280 nan 0.000 0.581 218 D N 0.654 121.055 120.400 0.002 0.000 2.468 218 D HA 0.049 4.689 4.640 -0.001 0.000 0.272 218 D C -1.041 175.192 176.300 -0.112 0.000 1.221 218 D CA -0.287 53.675 54.000 -0.064 0.000 0.860 218 D CB 0.333 41.095 40.800 -0.064 0.000 1.190 218 D HN 0.133 nan 8.370 nan 0.000 0.509 219 D N 1.615 121.945 120.400 -0.117 0.000 2.312 219 D HA 0.115 4.754 4.640 -0.001 0.000 0.252 219 D C -1.622 174.566 176.300 -0.187 0.000 1.150 219 D CA -1.540 52.375 54.000 -0.141 0.000 0.870 219 D CB 2.033 42.763 40.800 -0.116 0.000 1.153 219 D HN 0.128 nan 8.370 nan 0.000 0.457 220 P HA 0.104 nan 4.420 nan 0.000 0.245 220 P C 0.995 178.154 177.300 -0.234 0.000 1.199 220 P CA 0.099 62.977 63.100 -0.371 0.000 0.807 220 P CB 0.206 31.426 31.700 -0.801 0.000 1.002 221 c N -0.345 118.177 118.600 -0.131 0.000 2.573 221 c HA 0.224 4.794 4.570 -0.001 0.000 0.273 221 c C 2.014 176.124 174.090 0.034 0.000 1.346 221 c CA -0.052 56.308 56.329 0.052 0.000 1.702 221 c CB -1.928 40.656 42.510 0.122 0.000 1.751 221 c HN 0.098 nan 8.230 nan 0.000 0.583 222 L N 0.193 121.389 121.223 -0.045 0.000 2.585 222 L HA 0.237 4.576 4.340 -0.001 0.000 0.226 222 L C 1.811 178.649 176.870 -0.053 0.000 1.113 222 L CA 1.241 56.043 54.840 -0.063 0.000 0.876 222 L CB -0.579 41.420 42.059 -0.101 0.000 1.072 222 L HN 0.178 nan 8.230 nan 0.000 0.468 223 L N -1.318 119.886 121.223 -0.032 0.000 2.375 223 L HA 0.073 4.412 4.340 -0.001 0.000 0.215 223 L C 2.278 179.164 176.870 0.026 0.000 1.108 223 L CA 0.929 55.757 54.840 -0.021 0.000 0.830 223 L CB -1.425 40.613 42.059 -0.036 0.000 0.959 223 L HN 0.154 nan 8.230 nan 0.000 0.457 224 T N -0.363 114.252 114.554 0.100 0.000 2.569 224 T HA -0.192 4.158 4.350 -0.001 0.000 0.263 224 T C 0.918 175.625 174.700 0.013 0.000 1.074 224 T CA 1.268 63.475 62.100 0.178 0.000 1.176 224 T CB -0.346 68.770 68.868 0.413 0.000 0.863 224 T HN 0.173 nan 8.240 nan 0.000 0.410 225 N N 0.562 119.151 118.700 -0.185 0.000 2.457 225 N HA 0.480 5.219 4.740 -0.001 0.000 0.250 225 N C 0.804 176.159 175.510 -0.259 0.000 0.982 225 N CA -0.196 52.591 53.050 -0.439 0.000 0.941 225 N CB 0.844 38.735 38.487 -0.992 0.000 1.120 225 N HN 0.260 nan 8.380 nan 0.000 0.505 226 R N 0.820 121.208 120.500 -0.187 0.000 2.323 226 R HA 0.084 4.424 4.340 -0.001 0.000 0.198 226 R C 0.490 176.700 176.300 -0.149 0.000 0.988 226 R CA 0.747 56.763 56.100 -0.139 0.000 1.041 226 R CB -0.693 29.548 30.300 -0.099 0.000 0.926 226 R HN 0.506 nan 8.270 nan 0.000 0.476 227 S N -0.217 115.364 115.700 -0.198 0.000 2.257 227 S HA 0.700 5.170 4.470 -0.001 0.000 0.191 227 S C -0.442 174.043 174.600 -0.191 0.000 1.386 227 S CA -0.061 58.037 58.200 -0.171 0.000 1.233 227 S CB 0.382 63.490 63.200 -0.153 0.000 1.138 227 S HN 1.058 nan 8.310 nan 0.000 0.483 228 A N 2.083 124.803 122.820 -0.168 0.000 2.540 228 A HA 0.446 4.765 4.320 -0.001 0.000 0.315 228 A C -0.393 177.131 177.584 -0.100 0.000 1.037 228 A CA -0.904 51.058 52.037 -0.125 0.000 0.940 228 A CB 0.752 19.643 19.000 -0.181 0.000 1.262 228 A HN 0.510 nan 8.150 nan 0.000 0.377 229 R N 3.672 124.135 120.500 -0.062 0.000 3.268 229 R HA 0.366 4.706 4.340 -0.001 0.000 0.217 229 R C -0.912 175.294 176.300 -0.157 0.000 1.568 229 R CA -0.004 56.034 56.100 -0.104 0.000 1.322 229 R CB -0.502 29.750 30.300 -0.081 0.000 1.280 229 R HN 0.507 nan 8.270 nan 0.000 0.667 230 I N 4.399 124.873 120.570 -0.160 0.000 2.466 230 I HA 0.396 4.565 4.170 -0.001 0.000 0.279 230 I C -2.483 173.507 176.117 -0.211 0.000 1.033 230 I CA -3.191 57.971 61.300 -0.230 0.000 1.123 230 I CB 1.016 38.992 38.000 -0.040 0.000 1.237 230 I HN 0.303 nan 8.210 nan 0.000 0.460 231 P HA 0.302 nan 4.420 nan 0.000 0.297 231 P C -0.406 176.863 177.300 -0.052 0.000 1.303 231 P CA -0.277 62.674 63.100 -0.248 0.000 0.753 231 P CB 0.783 32.304 31.700 -0.298 0.000 1.281 232 c N -1.110 117.515 118.600 0.041 0.000 2.364 232 c HA 0.508 5.077 4.570 -0.001 0.000 0.356 232 c C 0.707 174.816 174.090 0.032 0.000 1.201 232 c CA -0.423 55.909 56.329 0.006 0.000 2.227 232 c CB -0.911 41.639 42.510 0.066 0.000 2.387 232 c HN 0.353 nan 8.230 nan 0.000 0.546 233 F N 1.361 121.384 119.950 0.122 0.000 2.628 233 F HA 0.254 4.780 4.527 -0.001 0.000 0.346 233 F C 0.407 176.187 175.800 -0.033 0.000 1.188 233 F CA -0.015 57.937 58.000 -0.080 0.000 1.376 233 F CB 0.144 39.062 39.000 -0.136 0.000 1.104 233 F HN 0.433 nan 8.300 nan 0.000 0.616 234 L N 2.235 123.542 121.223 0.140 0.000 2.298 234 L HA 0.789 5.128 4.340 -0.001 0.000 0.284 234 L C -0.567 176.319 176.870 0.026 0.000 1.013 234 L CA 0.027 54.910 54.840 0.073 0.000 0.824 234 L CB 0.778 42.881 42.059 0.073 0.000 1.221 234 L HN 0.692 nan 8.230 nan 0.000 0.418 235 A N 3.139 125.948 122.820 -0.018 0.000 2.507 235 A HA 0.716 5.035 4.320 -0.001 0.000 0.284 235 A C 0.818 178.389 177.584 -0.023 0.000 1.281 235 A CA -0.113 51.886 52.037 -0.065 0.000 0.744 235 A CB 0.544 19.391 19.000 -0.256 0.000 1.332 235 A HN 0.790 nan 8.150 nan 0.000 0.454 236 G N -0.879 107.925 108.800 0.007 0.000 2.408 236 G HA2 0.107 4.066 3.960 -0.001 0.000 0.217 236 G HA3 0.107 4.066 3.960 -0.001 0.000 0.217 236 G C 0.229 175.161 174.900 0.053 0.000 1.150 236 G CA 1.467 46.601 45.100 0.057 0.000 0.776 236 G HN 0.707 nan 8.290 nan 0.000 0.542 237 D N -1.243 119.173 120.400 0.028 0.000 2.181 237 D HA 0.355 4.995 4.640 -0.001 0.000 0.248 237 D C 1.570 177.861 176.300 -0.014 0.000 1.020 237 D CA -0.009 54.012 54.000 0.034 0.000 0.891 237 D CB 1.567 42.433 40.800 0.109 0.000 1.187 237 D HN -0.027 nan 8.370 nan 0.000 0.443 238 T N 0.705 115.273 114.554 0.024 0.000 3.163 238 T HA -0.070 4.279 4.350 -0.001 0.000 0.260 238 T C 0.810 175.541 174.700 0.052 0.000 1.156 238 T CA 0.379 62.496 62.100 0.029 0.000 1.072 238 T CB -0.148 68.737 68.868 0.029 0.000 0.937 238 T HN 0.511 nan 8.240 nan 0.000 0.528 239 R N 0.258 120.784 120.500 0.042 0.000 2.637 239 R HA 0.268 4.608 4.340 -0.001 0.000 0.446 239 R C 1.161 177.482 176.300 0.034 0.000 1.024 239 R CA 0.382 56.530 56.100 0.080 0.000 1.080 239 R CB -0.695 29.665 30.300 0.100 0.000 1.421 239 R HN 0.362 nan 8.270 nan 0.000 0.593 240 S N -0.105 115.561 115.700 -0.057 0.000 2.469 240 S HA -0.077 4.393 4.470 -0.001 0.000 0.238 240 S C 1.287 175.900 174.600 0.022 0.000 0.998 240 S CA 1.113 59.221 58.200 -0.152 0.000 0.957 240 S CB -0.025 62.871 63.200 -0.507 0.000 0.764 240 S HN 0.318 nan 8.310 nan 0.000 0.514 241 S N 0.773 116.524 115.700 0.086 0.000 2.524 241 S HA 0.178 4.647 4.470 -0.001 0.000 0.215 241 S C 1.495 175.995 174.600 -0.168 0.000 0.986 241 S CA -0.191 58.077 58.200 0.113 0.000 0.911 241 S CB -0.083 63.292 63.200 0.291 0.000 0.805 241 S HN 0.550 nan 8.310 nan 0.000 0.501 242 E N 1.043 121.020 120.200 -0.372 0.000 2.164 242 E HA -0.181 4.168 4.350 -0.001 0.000 0.206 242 E C 0.243 176.650 176.600 -0.322 0.000 1.032 242 E CA 1.063 57.058 56.400 -0.675 0.000 0.832 242 E CB 0.064 29.616 29.700 -0.247 0.000 0.742 242 E HN 0.403 nan 8.360 nan 0.000 0.460 243 M N -1.286 118.222 119.600 -0.153 0.000 2.386 243 M HA 0.198 4.677 4.480 -0.001 0.000 0.293 243 M C -2.189 174.066 176.300 -0.075 0.000 1.120 243 M CA -2.080 53.151 55.300 -0.115 0.000 0.909 243 M CB 2.374 34.925 32.600 -0.081 0.000 1.661 243 M HN -0.287 nan 8.290 nan 0.000 0.452 244 P HA -0.169 nan 4.420 nan 0.000 0.223 244 P C 0.420 177.687 177.300 -0.055 0.000 1.144 244 P CA 1.219 64.282 63.100 -0.063 0.000 0.783 244 P CB -0.006 31.623 31.700 -0.117 0.000 0.771 245 E N -0.736 119.432 120.200 -0.053 0.000 2.276 245 E HA 0.004 4.353 4.350 -0.001 0.000 0.193 245 E C 2.030 178.617 176.600 -0.022 0.000 0.983 245 E CA 0.138 56.514 56.400 -0.039 0.000 0.861 245 E CB -1.140 28.543 29.700 -0.028 0.000 0.817 245 E HN 0.246 nan 8.360 nan 0.000 0.485 246 L N 1.514 122.735 121.223 -0.004 0.000 2.042 246 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 246 L C 2.501 179.438 176.870 0.112 0.000 1.076 246 L CA 1.836 56.700 54.840 0.041 0.000 0.749 246 L CB -0.431 41.667 42.059 0.065 0.000 0.893 246 L HN 0.174 nan 8.230 nan 0.000 0.432 247 T N -1.095 113.502 114.554 0.072 0.000 2.833 247 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 247 T C 1.923 176.588 174.700 -0.059 0.000 1.054 247 T CA 1.575 63.692 62.100 0.030 0.000 1.135 247 T CB -0.000 68.854 68.868 -0.023 0.000 0.869 247 T HN 0.434 nan 8.240 nan 0.000 0.466 248 S N 1.029 116.691 115.700 -0.063 0.000 2.419 248 S HA -0.010 4.459 4.470 -0.001 0.000 0.233 248 S C 2.001 176.553 174.600 -0.080 0.000 1.016 248 S CA 0.953 59.100 58.200 -0.088 0.000 0.974 248 S CB -0.200 62.954 63.200 -0.076 0.000 0.786 248 S HN 0.514 nan 8.310 nan 0.000 0.492 249 M N 0.463 120.021 119.600 -0.070 0.000 2.193 249 M HA 0.006 4.485 4.480 -0.001 0.000 0.265 249 M C 1.759 177.968 176.300 -0.152 0.000 1.071 249 M CA 1.219 56.450 55.300 -0.115 0.000 1.140 249 M CB -1.041 31.477 32.600 -0.135 0.000 1.369 249 M HN 0.333 nan 8.290 nan 0.000 0.423 250 H N -0.503 118.502 119.070 -0.108 0.000 2.518 250 H HA -0.076 4.480 4.556 -0.001 0.000 0.289 250 H C 2.113 177.352 175.328 -0.149 0.000 1.051 250 H CA 1.643 57.619 56.048 -0.121 0.000 1.280 250 H CB -0.068 29.625 29.762 -0.115 0.000 1.380 250 H HN 0.351 nan 8.280 nan 0.000 0.566 251 T N -0.090 114.429 114.554 -0.060 0.000 3.054 251 T HA -0.013 4.336 4.350 -0.001 0.000 0.259 251 T C 1.959 176.604 174.700 -0.091 0.000 1.092 251 T CA 0.131 62.156 62.100 -0.126 0.000 1.121 251 T CB -0.024 68.703 68.868 -0.234 0.000 0.912 251 T HN 0.153 nan 8.240 nan 0.000 0.489 252 L N 0.298 121.471 121.223 -0.082 0.000 2.145 252 L HA 0.390 4.729 4.340 -0.001 0.000 0.201 252 L C 1.962 178.797 176.870 -0.058 0.000 1.075 252 L CA 1.403 56.203 54.840 -0.067 0.000 0.773 252 L CB -0.324 41.694 42.059 -0.068 0.000 0.936 252 L HN 0.199 nan 8.230 nan 0.000 0.451 253 L N -0.581 120.594 121.223 -0.080 0.000 2.275 253 L HA -0.125 4.214 4.340 -0.001 0.000 0.215 253 L C 2.301 179.140 176.870 -0.053 0.000 1.119 253 L CA 0.940 55.733 54.840 -0.079 0.000 0.790 253 L CB -0.729 41.258 42.059 -0.121 0.000 0.919 253 L HN 0.364 nan 8.230 nan 0.000 0.443 254 L N -0.396 120.795 121.223 -0.054 0.000 2.056 254 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 254 L C 2.710 179.601 176.870 0.034 0.000 1.078 254 L CA 1.564 56.390 54.840 -0.023 0.000 0.749 254 L CB -0.368 41.669 42.059 -0.037 0.000 0.901 254 L HN 0.103 nan 8.230 nan 0.000 0.433 255 R N -0.388 120.116 120.500 0.007 0.000 2.120 255 R HA -0.112 4.227 4.340 -0.001 0.000 0.234 255 R C 2.014 178.340 176.300 0.044 0.000 1.123 255 R CA 1.249 57.362 56.100 0.021 0.000 0.975 255 R CB -0.484 29.812 30.300 -0.006 0.000 0.866 255 R HN 0.512 nan 8.270 nan 0.000 0.446 256 E N 0.159 120.384 120.200 0.043 0.000 2.347 256 E HA -0.110 4.239 4.350 -0.001 0.000 0.196 256 E C 0.393 177.058 176.600 0.108 0.000 1.008 256 E CA 0.571 56.998 56.400 0.044 0.000 0.852 256 E CB 0.072 29.779 29.700 0.011 0.000 0.783 256 E HN 0.306 nan 8.360 nan 0.000 0.505 257 H N 0.131 119.244 119.070 0.070 0.000 2.375 257 H HA 0.294 4.849 4.556 -0.001 0.000 0.230 257 H C 0.061 175.460 175.328 0.119 0.000 1.511 257 H CA 0.102 56.230 56.048 0.132 0.000 1.215 257 H CB -0.627 29.313 29.762 0.297 0.000 1.580 257 H HN 0.107 nan 8.280 nan 0.000 0.537 258 N N 0.620 119.420 118.700 0.165 0.000 2.439 258 N HA -0.097 4.642 4.740 -0.001 0.000 0.318 258 N C 1.568 177.108 175.510 0.051 0.000 0.676 258 N CA -0.197 52.940 53.050 0.145 0.000 0.624 258 N CB 0.793 39.367 38.487 0.145 0.000 2.376 258 N HN 0.217 nan 8.380 nan 0.000 1.245 259 R N 1.845 122.365 120.500 0.034 0.000 2.061 259 R HA 0.035 4.375 4.340 -0.001 0.000 0.230 259 R C 2.042 178.317 176.300 -0.041 0.000 1.140 259 R CA 1.320 57.416 56.100 -0.006 0.000 0.940 259 R CB -0.215 30.076 30.300 -0.015 0.000 0.839 259 R HN 0.116 nan 8.270 nan 0.000 0.429 260 L N 0.285 121.471 121.223 -0.061 0.000 2.017 260 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 260 L C 2.779 179.578 176.870 -0.118 0.000 1.073 260 L CA 1.404 56.172 54.840 -0.120 0.000 0.745 260 L CB -0.641 41.315 42.059 -0.171 0.000 0.894 260 L HN 0.267 nan 8.230 nan 0.000 0.432 261 A N -0.788 121.961 122.820 -0.119 0.000 1.972 261 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 261 A C 2.405 179.971 177.584 -0.031 0.000 1.169 261 A CA 2.290 54.278 52.037 -0.082 0.000 0.635 261 A CB -0.909 18.035 19.000 -0.095 0.000 0.810 261 A HN 0.374 nan 8.150 nan 0.000 0.446 262 T N -1.234 113.305 114.554 -0.025 0.000 2.962 262 T HA -0.062 4.287 4.350 -0.001 0.000 0.270 262 T C 1.761 176.438 174.700 -0.038 0.000 1.088 262 T CA 1.676 63.767 62.100 -0.015 0.000 1.127 262 T CB -0.069 68.796 68.868 -0.004 0.000 0.883 262 T HN 0.682 nan 8.240 nan 0.000 0.493 263 E N -0.293 119.869 120.200 -0.063 0.000 2.340 263 E HA 0.140 4.490 4.350 -0.001 0.000 0.194 263 E C 1.624 178.154 176.600 -0.116 0.000 0.996 263 E CA 0.132 56.482 56.400 -0.083 0.000 0.869 263 E CB -0.049 29.596 29.700 -0.092 0.000 0.835 263 E HN 0.178 nan 8.360 nan 0.000 0.493 264 L N 0.814 121.960 121.223 -0.129 0.000 2.341 264 L HA 0.069 4.409 4.340 -0.001 0.000 0.214 264 L C 1.855 178.593 176.870 -0.221 0.000 1.115 264 L CA 1.442 56.167 54.840 -0.191 0.000 0.820 264 L CB -0.225 41.766 42.059 -0.114 0.000 0.944 264 L HN 0.074 nan 8.230 nan 0.000 0.452 265 K N -2.036 118.300 120.400 -0.107 0.000 2.305 265 K HA 0.040 4.359 4.320 -0.001 0.000 0.199 265 K C 1.743 178.283 176.600 -0.099 0.000 1.047 265 K CA 1.351 57.592 56.287 -0.076 0.000 0.976 265 K CB -0.137 32.365 32.500 0.003 0.000 0.765 265 K HN 0.057 nan 8.250 nan 0.000 0.474 266 S N 0.820 116.460 115.700 -0.100 0.000 2.414 266 S HA 0.017 4.486 4.470 -0.001 0.000 0.227 266 S C 1.678 176.210 174.600 -0.114 0.000 1.022 266 S CA 1.150 59.299 58.200 -0.085 0.000 0.958 266 S CB -0.318 62.844 63.200 -0.064 0.000 0.797 266 S HN 0.462 nan 8.310 nan 0.000 0.493 267 L N 0.826 121.950 121.223 -0.166 0.000 2.185 267 L HA 0.294 4.634 4.340 -0.001 0.000 0.198 267 L C -0.036 176.674 176.870 -0.267 0.000 1.079 267 L CA 0.476 55.210 54.840 -0.178 0.000 0.780 267 L CB -0.974 40.999 42.059 -0.143 0.000 0.955 267 L HN 0.043 nan 8.230 nan 0.000 0.462 268 N N 1.301 119.708 118.700 -0.489 0.000 2.645 268 N HA 0.265 5.004 4.740 -0.001 0.000 0.233 268 N C -2.277 172.981 175.510 -0.420 0.000 1.058 268 N CA -1.416 51.225 53.050 -0.680 0.000 0.942 268 N CB 0.682 38.167 38.487 -1.670 0.000 1.210 268 N HN 0.121 nan 8.380 nan 0.000 0.512 269 P HA -0.201 nan 4.420 nan 0.000 0.213 269 P C 1.072 178.390 177.300 0.029 0.000 1.169 269 P CA 1.088 64.150 63.100 -0.063 0.000 0.885 269 P CB 0.106 31.785 31.700 -0.035 0.000 0.779 270 R N -1.649 118.885 120.500 0.057 0.000 2.421 270 R HA -0.101 4.238 4.340 -0.001 0.000 0.208 270 R C -0.169 176.288 176.300 0.262 0.000 1.103 270 R CA 0.181 56.360 56.100 0.132 0.000 1.065 270 R CB -1.045 29.316 30.300 0.101 0.000 0.839 270 R HN 0.104 nan 8.270 nan 0.000 0.480 271 W N 2.500 123.815 121.300 0.025 0.000 2.210 271 W HA 0.147 4.806 4.660 -0.001 0.000 0.330 271 W C 0.681 177.216 176.519 0.027 0.000 1.334 271 W CA -0.960 56.402 57.345 0.029 0.000 1.227 271 W CB 0.155 29.634 29.460 0.031 0.000 1.178 271 W HN 0.078 nan 8.180 nan 0.000 0.560 272 D N 0.839 121.328 120.400 0.150 0.000 2.325 272 D HA -0.033 4.606 4.640 -0.001 0.000 0.237 272 D C 1.306 177.667 176.300 0.102 0.000 1.328 272 D CA 0.955 55.004 54.000 0.082 0.000 0.918 272 D CB 0.725 41.538 40.800 0.021 0.000 1.156 272 D HN 0.536 nan 8.370 nan 0.000 0.485 273 G N 0.060 108.902 108.800 0.072 0.000 2.434 273 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.214 273 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.214 273 G C 1.397 176.349 174.900 0.087 0.000 1.202 273 G CA 0.753 45.898 45.100 0.074 0.000 0.788 273 G HN 0.530 nan 8.290 nan 0.000 0.539 274 E N -0.099 120.138 120.200 0.061 0.000 2.077 274 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 274 E C 2.464 179.135 176.600 0.119 0.000 0.989 274 E CA 1.039 57.508 56.400 0.115 0.000 0.800 274 E CB -0.075 29.663 29.700 0.063 0.000 0.746 274 E HN 0.386 nan 8.360 nan 0.000 0.452 275 R N -0.048 120.443 120.500 -0.015 0.000 2.083 275 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 275 R C 2.179 178.415 176.300 -0.107 0.000 1.137 275 R CA 1.353 57.342 56.100 -0.184 0.000 0.951 275 R CB -0.443 29.619 30.300 -0.397 0.000 0.851 275 R HN 0.194 nan 8.270 nan 0.000 0.434 276 L N 0.047 121.321 121.223 0.085 0.000 2.187 276 L HA -0.173 4.166 4.340 -0.001 0.000 0.213 276 L C 1.852 178.797 176.870 0.125 0.000 1.100 276 L CA 1.691 56.675 54.840 0.240 0.000 0.765 276 L CB -0.541 41.656 42.059 0.231 0.000 0.904 276 L HN 0.396 nan 8.230 nan 0.000 0.437 277 Y N -2.206 118.080 120.300 -0.023 0.000 2.464 277 Y HA 0.030 4.579 4.550 -0.001 0.000 0.288 277 Y C 2.356 178.223 175.900 -0.056 0.000 1.133 277 Y CA 0.505 58.585 58.100 -0.033 0.000 1.223 277 Y CB -0.139 38.365 38.460 0.073 0.000 1.187 277 Y HN 0.041 nan 8.280 nan 0.000 0.539 278 Q N 1.126 120.728 119.800 -0.330 0.000 1.975 278 Q HA -0.272 4.068 4.340 -0.001 0.000 0.205 278 Q C 2.119 177.908 176.000 -0.352 0.000 0.990 278 Q CA 2.250 57.745 55.803 -0.514 0.000 0.845 278 Q CB -0.571 28.041 28.738 -0.210 0.000 0.913 278 Q HN 0.622 nan 8.270 nan 0.000 0.420 279 E N 0.180 120.273 120.200 -0.178 0.000 2.187 279 E HA -0.217 4.132 4.350 -0.001 0.000 0.199 279 E C 1.727 178.316 176.600 -0.019 0.000 1.004 279 E CA 1.374 57.758 56.400 -0.028 0.000 0.813 279 E CB -0.079 29.669 29.700 0.080 0.000 0.736 279 E HN 0.389 nan 8.360 nan 0.000 0.468 280 A N 0.271 122.999 122.820 -0.153 0.000 1.897 280 A HA -0.123 4.196 4.320 -0.001 0.000 0.215 280 A C 2.071 179.596 177.584 -0.099 0.000 1.181 280 A CA 1.288 53.198 52.037 -0.212 0.000 0.620 280 A CB -0.338 18.330 19.000 -0.554 0.000 0.821 280 A HN 0.131 nan 8.150 nan 0.000 0.443 281 R N -0.231 120.131 120.500 -0.231 0.000 2.096 281 R HA -0.176 4.163 4.340 -0.001 0.000 0.240 281 R C 2.217 178.553 176.300 0.060 0.000 1.139 281 R CA 2.050 58.038 56.100 -0.186 0.000 0.952 281 R CB -0.246 29.694 30.300 -0.599 0.000 0.854 281 R HN 0.499 nan 8.270 nan 0.000 0.436 282 K N 0.041 120.462 120.400 0.035 0.000 2.097 282 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 282 K C 1.978 178.788 176.600 0.351 0.000 1.049 282 K CA 1.346 57.746 56.287 0.188 0.000 0.933 282 K CB -0.105 32.490 32.500 0.159 0.000 0.717 282 K HN 0.115 nan 8.250 nan 0.000 0.442 283 I N 0.312 121.025 120.570 0.239 0.000 2.361 283 I HA -0.255 3.914 4.170 -0.001 0.000 0.251 283 I C 2.268 178.434 176.117 0.082 0.000 1.133 283 I CA 0.894 62.271 61.300 0.129 0.000 1.413 283 I CB -0.344 37.572 38.000 -0.140 0.000 1.073 283 I HN 0.033 nan 8.210 nan 0.000 0.424 284 V N 0.561 120.552 119.914 0.128 0.000 2.488 284 V HA 0.004 4.123 4.120 -0.001 0.000 0.246 284 V C 2.328 178.486 176.094 0.107 0.000 1.046 284 V CA 1.874 64.241 62.300 0.112 0.000 1.053 284 V CB -0.925 30.982 31.823 0.140 0.000 0.679 284 V HN 0.408 nan 8.190 nan 0.000 0.458 285 G N -0.355 108.549 108.800 0.173 0.000 2.485 285 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.221 285 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.221 285 G C 1.695 176.648 174.900 0.088 0.000 1.115 285 G CA 1.218 46.410 45.100 0.154 0.000 0.751 285 G HN 0.876 nan 8.290 nan 0.000 0.567 286 A N 0.932 123.796 122.820 0.074 0.000 1.874 286 A HA 0.112 4.432 4.320 -0.001 0.000 0.214 286 A C 2.459 179.917 177.584 -0.210 0.000 1.189 286 A CA 1.578 53.552 52.037 -0.106 0.000 0.615 286 A CB -0.335 18.637 19.000 -0.048 0.000 0.830 286 A HN 0.337 nan 8.150 nan 0.000 0.443 287 M N 0.311 119.841 119.600 -0.118 0.000 2.106 287 M HA -0.175 4.304 4.480 -0.001 0.000 0.259 287 M C 2.239 178.490 176.300 -0.082 0.000 1.068 287 M CA 2.139 57.368 55.300 -0.118 0.000 1.100 287 M CB -1.190 31.366 32.600 -0.072 0.000 1.351 287 M HN 0.480 nan 8.290 nan 0.000 0.404 288 V N -0.851 119.043 119.914 -0.033 0.000 2.323 288 V HA -0.217 3.902 4.120 -0.001 0.000 0.244 288 V C 2.079 178.199 176.094 0.044 0.000 1.041 288 V CA 1.642 63.947 62.300 0.009 0.000 1.025 288 V CB -0.862 30.976 31.823 0.025 0.000 0.656 288 V HN 0.479 nan 8.190 nan 0.000 0.451 289 Q N -0.188 119.639 119.800 0.045 0.000 2.045 289 Q HA -0.185 4.154 4.340 -0.001 0.000 0.206 289 Q C 2.282 178.361 176.000 0.131 0.000 0.991 289 Q CA 2.761 58.656 55.803 0.152 0.000 0.851 289 Q CB -0.348 28.341 28.738 -0.082 0.000 0.911 289 Q HN 0.760 nan 8.270 nan 0.000 0.418 290 I N 0.207 120.623 120.570 -0.256 0.000 2.700 290 I HA -0.239 3.930 4.170 -0.001 0.000 0.261 290 I C 1.552 177.632 176.117 -0.061 0.000 1.219 290 I CA 0.713 61.793 61.300 -0.366 0.000 1.463 290 I CB 0.183 37.653 38.000 -0.884 0.000 1.092 290 I HN 0.266 nan 8.210 nan 0.000 0.452 291 I N -1.039 119.541 120.570 0.018 0.000 2.556 291 I HA -0.166 4.003 4.170 -0.001 0.000 0.251 291 I C 2.319 178.522 176.117 0.143 0.000 1.105 291 I CA 0.707 62.079 61.300 0.120 0.000 1.436 291 I CB -0.585 37.505 38.000 0.151 0.000 1.139 291 I HN 0.059 nan 8.210 nan 0.000 0.438 292 T N 0.541 115.148 114.554 0.089 0.000 2.665 292 T HA -0.237 4.112 4.350 -0.001 0.000 0.268 292 T C 1.768 176.444 174.700 -0.039 0.000 1.035 292 T CA 2.006 64.102 62.100 -0.006 0.000 1.151 292 T CB -0.350 68.517 68.868 -0.001 0.000 0.862 292 T HN 0.244 nan 8.240 nan 0.000 0.438 293 Y N 0.301 120.667 120.300 0.110 0.000 2.365 293 Y HA 0.153 4.702 4.550 -0.001 0.000 0.293 293 Y C 2.652 178.637 175.900 0.142 0.000 1.119 293 Y CA 0.753 58.947 58.100 0.156 0.000 1.203 293 Y CB 0.023 38.714 38.460 0.384 0.000 1.026 293 Y HN 0.005 nan 8.280 nan 0.000 0.549 294 R N -0.054 120.610 120.500 0.272 0.000 2.105 294 R HA -0.038 4.302 4.340 -0.001 0.000 0.214 294 R C 0.298 176.701 176.300 0.170 0.000 1.091 294 R CA 1.456 57.681 56.100 0.207 0.000 1.007 294 R CB 0.203 30.607 30.300 0.172 0.000 0.912 294 R HN 0.200 nan 8.270 nan 0.000 0.450 295 D N -0.900 119.624 120.400 0.207 0.000 2.398 295 D HA -0.007 4.632 4.640 -0.001 0.000 0.210 295 D C 0.511 176.957 176.300 0.243 0.000 1.094 295 D CA 0.159 54.341 54.000 0.305 0.000 0.839 295 D CB 0.394 41.493 40.800 0.498 0.000 0.963 295 D HN 0.231 nan 8.370 nan 0.000 0.506 296 Y N 0.821 121.024 120.300 -0.162 0.000 2.569 296 Y HA 0.080 4.630 4.550 -0.001 0.000 0.278 296 Y C 1.678 177.420 175.900 -0.264 0.000 1.130 296 Y CA 0.238 58.096 58.100 -0.404 0.000 1.280 296 Y CB -0.224 37.881 38.460 -0.592 0.000 1.379 296 Y HN -0.286 nan 8.280 nan 0.000 0.508 297 L N 1.886 122.868 121.223 -0.402 0.000 1.944 297 L HA -0.152 4.187 4.340 -0.001 0.000 0.218 297 L C -0.359 176.343 176.870 -0.279 0.000 1.075 297 L CA 2.374 56.945 54.840 -0.448 0.000 0.767 297 L CB -2.930 38.885 42.059 -0.407 0.000 0.890 297 L HN 0.148 nan 8.230 nan 0.000 0.434 298 P HA -0.241 nan 4.420 nan 0.000 0.222 298 P C 2.031 179.274 177.300 -0.096 0.000 1.155 298 P CA 1.629 64.689 63.100 -0.066 0.000 0.890 298 P CB -0.034 31.665 31.700 -0.001 0.000 0.790 299 L N -1.780 119.362 121.223 -0.136 0.000 2.270 299 L HA -0.023 4.316 4.340 -0.001 0.000 0.210 299 L C 2.384 179.120 176.870 -0.223 0.000 1.104 299 L CA 1.222 55.984 54.840 -0.130 0.000 0.804 299 L CB -1.166 40.858 42.059 -0.057 0.000 0.937 299 L HN -0.145 nan 8.230 nan 0.000 0.450 300 V N -2.051 117.615 119.914 -0.413 0.000 2.379 300 V HA -0.142 3.977 4.120 -0.001 0.000 0.243 300 V C 2.339 178.246 176.094 -0.313 0.000 1.035 300 V CA 0.465 62.514 62.300 -0.418 0.000 1.035 300 V CB -0.670 30.774 31.823 -0.632 0.000 0.673 300 V HN 0.191 nan 8.190 nan 0.000 0.457 301 L N 1.026 122.065 121.223 -0.307 0.000 1.951 301 L HA 0.131 4.471 4.340 -0.001 0.000 0.222 301 L C 1.163 177.968 176.870 -0.109 0.000 1.078 301 L CA 2.596 57.317 54.840 -0.197 0.000 0.778 301 L CB -1.133 40.829 42.059 -0.162 0.000 0.893 301 L HN 0.699 nan 8.230 nan 0.000 0.436 302 G N -3.800 104.952 108.800 -0.079 0.000 3.014 302 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.683 302 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.683 302 G C -2.013 172.880 174.900 -0.012 0.000 1.271 302 G CA -0.336 44.741 45.100 -0.039 0.000 0.843 302 G HN 0.098 nan 8.290 nan 0.000 0.612 303 P HA -0.165 nan 4.420 nan 0.000 0.216 303 P C 1.910 179.213 177.300 0.005 0.000 1.154 303 P CA 2.362 65.463 63.100 0.002 0.000 0.865 303 P CB 0.173 31.874 31.700 0.002 0.000 0.789 304 T N -1.447 113.110 114.554 0.005 0.000 2.809 304 T HA 0.035 4.384 4.350 -0.001 0.000 0.260 304 T C 1.835 176.544 174.700 0.015 0.000 1.039 304 T CA 1.358 63.460 62.100 0.005 0.000 1.141 304 T CB -0.830 68.041 68.868 0.005 0.000 0.869 304 T HN -0.015 nan 8.240 nan 0.000 0.437 305 A N 1.136 123.992 122.820 0.059 0.000 1.933 305 A HA -0.025 4.295 4.320 -0.001 0.000 0.218 305 A C 2.283 179.959 177.584 0.152 0.000 1.175 305 A CA 2.005 54.144 52.037 0.171 0.000 0.628 305 A CB -0.795 18.366 19.000 0.267 0.000 0.814 305 A HN 0.566 nan 8.150 nan 0.000 0.444 306 M N 0.319 119.967 119.600 0.080 0.000 2.082 306 M HA -0.203 4.276 4.480 -0.001 0.000 0.258 306 M C 2.217 178.534 176.300 0.029 0.000 1.069 306 M CA 2.391 57.729 55.300 0.062 0.000 1.102 306 M CB -0.583 32.037 32.600 0.034 0.000 1.336 306 M HN 0.430 nan 8.290 nan 0.000 0.404 307 R N 0.307 120.802 120.500 -0.008 0.000 2.346 307 R HA -0.004 4.335 4.340 -0.001 0.000 0.199 307 R C 1.874 178.109 176.300 -0.107 0.000 1.015 307 R CA 1.625 57.703 56.100 -0.035 0.000 1.058 307 R CB -1.278 29.003 30.300 -0.032 0.000 0.921 307 R HN 0.679 nan 8.270 nan 0.000 0.475 308 K N -2.087 118.196 120.400 -0.195 0.000 2.410 308 K HA 0.129 4.449 4.320 -0.001 0.000 0.204 308 K C 1.147 177.450 176.600 -0.495 0.000 1.268 308 K CA 0.272 56.296 56.287 -0.437 0.000 0.896 308 K CB 0.408 32.492 32.500 -0.693 0.000 1.401 308 K HN 0.310 nan 8.250 nan 0.000 0.479 309 Y N 0.841 121.145 120.300 0.006 0.000 2.337 309 Y HA 0.067 4.617 4.550 -0.001 0.000 0.293 309 Y C 0.589 176.514 175.900 0.040 0.000 1.123 309 Y CA 0.469 58.580 58.100 0.017 0.000 1.201 309 Y CB 0.448 38.914 38.460 0.010 0.000 1.011 309 Y HN -0.026 nan 8.280 nan 0.000 0.545 310 L N 2.085 123.391 121.223 0.138 0.000 2.495 310 L HA 0.387 4.727 4.340 -0.001 0.000 0.248 310 L C -2.555 174.365 176.870 0.084 0.000 1.229 310 L CA -2.226 52.694 54.840 0.133 0.000 0.942 310 L CB 0.105 42.279 42.059 0.193 0.000 1.242 310 L HN -0.093 nan 8.230 nan 0.000 0.484 311 P HA 0.104 nan 4.420 nan 0.000 0.275 311 P C 0.326 177.665 177.300 0.066 0.000 1.270 311 P CA -0.148 62.970 63.100 0.029 0.000 0.791 311 P CB 0.771 32.472 31.700 0.001 0.000 1.089 312 T N -0.700 113.894 114.554 0.066 0.000 2.899 312 T HA 0.140 4.490 4.350 -0.001 0.000 0.295 312 T C -0.234 174.541 174.700 0.124 0.000 1.033 312 T CA -0.165 61.999 62.100 0.107 0.000 1.084 312 T CB -0.339 68.587 68.868 0.096 0.000 0.979 312 T HN 0.120 nan 8.240 nan 0.000 0.532 313 Y N 2.699 123.001 120.300 0.003 0.000 2.757 313 Y HA 0.230 4.779 4.550 -0.001 0.000 0.344 313 Y C 1.603 177.488 175.900 -0.025 0.000 1.263 313 Y CA 0.685 58.765 58.100 -0.034 0.000 1.493 313 Y CB 0.568 39.034 38.460 0.011 0.000 1.342 313 Y HN 0.633 nan 8.280 nan 0.000 0.627 314 R N 0.188 120.317 120.500 -0.619 0.000 2.871 314 R HA 0.425 4.764 4.340 -0.001 0.000 0.176 314 R C 0.005 175.975 176.300 -0.551 0.000 0.830 314 R CA 0.728 56.570 56.100 -0.429 0.000 1.160 314 R CB -0.718 29.462 30.300 -0.200 0.000 1.614 314 R HN 1.217 nan 8.270 nan 0.000 0.596 315 S N -1.137 114.090 115.700 -0.788 0.000 2.761 315 S HA 0.470 4.939 4.470 -0.001 0.000 0.290 315 S C -1.715 172.678 174.600 -0.344 0.000 1.222 315 S CA -0.197 57.724 58.200 -0.465 0.000 0.954 315 S CB 0.399 63.483 63.200 -0.195 0.000 1.281 315 S HN 1.042 nan 8.310 nan 0.000 0.527 316 Y N 2.369 122.568 120.300 -0.168 0.000 2.331 316 Y HA 0.639 5.188 4.550 -0.001 0.000 0.334 316 Y C -0.735 175.145 175.900 -0.033 0.000 0.960 316 Y CA -0.851 57.230 58.100 -0.031 0.000 1.130 316 Y CB 1.321 39.820 38.460 0.064 0.000 1.164 316 Y HN 0.752 nan 8.280 nan 0.000 0.458 317 N N 5.377 123.758 118.700 -0.530 0.000 2.401 317 N HA -0.006 4.734 4.740 -0.001 0.000 0.255 317 N C 0.535 175.620 175.510 -0.708 0.000 1.110 317 N CA 0.373 53.138 53.050 -0.474 0.000 0.949 317 N CB 0.872 39.212 38.487 -0.245 0.000 1.110 317 N HN 0.978 nan 8.380 nan 0.000 0.490 318 D N 1.646 121.745 120.400 -0.501 0.000 2.149 318 D HA -0.097 4.542 4.640 -0.001 0.000 0.198 318 D C 0.265 176.463 176.300 -0.170 0.000 0.990 318 D CA 1.304 55.132 54.000 -0.288 0.000 0.839 318 D CB 0.317 41.087 40.800 -0.051 0.000 0.948 318 D HN 0.383 nan 8.370 nan 0.000 0.460 319 S N -0.275 115.339 115.700 -0.144 0.000 2.677 319 S HA 0.193 4.663 4.470 -0.001 0.000 0.246 319 S C 0.222 174.780 174.600 -0.071 0.000 1.005 319 S CA -0.445 57.710 58.200 -0.076 0.000 1.062 319 S CB 0.866 64.035 63.200 -0.051 0.000 0.778 319 S HN 0.077 nan 8.310 nan 0.000 0.461 320 V N 2.447 122.305 119.914 -0.093 0.000 2.334 320 V HA 0.254 4.374 4.120 -0.001 0.000 0.281 320 V C -0.660 175.428 176.094 -0.009 0.000 1.016 320 V CA -0.979 61.288 62.300 -0.056 0.000 0.832 320 V CB 1.264 33.041 31.823 -0.077 0.000 0.999 320 V HN 0.217 nan 8.190 nan 0.000 0.439 321 D N 9.229 129.630 120.400 0.002 0.000 2.383 321 D HA 0.099 4.738 4.640 -0.001 0.000 0.275 321 D C -1.640 174.657 176.300 -0.005 0.000 1.344 321 D CA -1.169 52.837 54.000 0.009 0.000 0.984 321 D CB 1.724 42.528 40.800 0.007 0.000 1.104 321 D HN 0.416 nan 8.370 nan 0.000 0.524 322 P HA -0.028 nan 4.420 nan 0.000 0.245 322 P C 0.229 177.411 177.300 -0.196 0.000 1.212 322 P CA 0.104 63.184 63.100 -0.033 0.000 0.774 322 P CB -0.057 31.701 31.700 0.097 0.000 0.999 323 R N 0.753 121.170 120.500 -0.137 0.000 2.590 323 R HA 0.203 4.542 4.340 -0.001 0.000 0.274 323 R C -0.299 175.911 176.300 -0.150 0.000 1.061 323 R CA -0.328 55.680 56.100 -0.153 0.000 1.081 323 R CB 0.002 30.244 30.300 -0.098 0.000 0.984 323 R HN 0.001 nan 8.270 nan 0.000 0.448 324 I N 2.738 123.216 120.570 -0.153 0.000 2.416 324 I HA 0.093 4.263 4.170 -0.001 0.000 0.288 324 I C 0.661 176.754 176.117 -0.041 0.000 1.051 324 I CA -0.138 61.078 61.300 -0.139 0.000 1.375 324 I CB 1.311 39.249 38.000 -0.103 0.000 1.407 324 I HN 0.807 nan 8.210 nan 0.000 0.516 325 A N 5.196 127.998 122.820 -0.031 0.000 2.477 325 A HA 0.042 4.361 4.320 -0.001 0.000 0.246 325 A C 1.149 178.785 177.584 0.087 0.000 1.078 325 A CA -0.175 51.878 52.037 0.026 0.000 0.770 325 A CB -0.098 18.906 19.000 0.007 0.000 1.011 325 A HN 0.924 nan 8.150 nan 0.000 0.494 326 N N 1.586 120.345 118.700 0.099 0.000 2.513 326 N HA -0.143 4.597 4.740 -0.001 0.000 0.187 326 N C 1.234 176.820 175.510 0.126 0.000 1.056 326 N CA 1.092 54.229 53.050 0.145 0.000 0.907 326 N CB -0.034 38.551 38.487 0.164 0.000 0.954 326 N HN 0.450 nan 8.380 nan 0.000 0.445 327 V N -0.243 119.702 119.914 0.052 0.000 2.426 327 V HA -0.077 4.043 4.120 -0.001 0.000 0.242 327 V C 1.634 177.680 176.094 -0.079 0.000 1.036 327 V CA 1.098 63.345 62.300 -0.088 0.000 1.044 327 V CB -0.659 30.911 31.823 -0.420 0.000 0.688 327 V HN 0.365 nan 8.190 nan 0.000 0.462 328 F N 1.258 121.115 119.950 -0.155 0.000 2.184 328 F HA -0.254 4.272 4.527 -0.001 0.000 0.301 328 F C 2.341 178.148 175.800 0.011 0.000 1.076 328 F CA 2.413 60.358 58.000 -0.092 0.000 1.295 328 F CB -0.787 38.138 39.000 -0.124 0.000 1.026 328 F HN 0.169 nan 8.300 nan 0.000 0.494 329 T N -0.282 114.294 114.554 0.036 0.000 2.822 329 T HA -0.264 4.086 4.350 -0.001 0.000 0.270 329 T C 1.683 176.304 174.700 -0.132 0.000 1.064 329 T CA 2.008 64.092 62.100 -0.027 0.000 1.131 329 T CB -0.455 68.447 68.868 0.057 0.000 0.858 329 T HN 0.519 nan 8.240 nan 0.000 0.483 330 N N -0.830 117.796 118.700 -0.124 0.000 2.510 330 N HA 0.274 5.013 4.740 -0.001 0.000 0.186 330 N C 1.846 177.320 175.510 -0.059 0.000 1.051 330 N CA 0.573 53.564 53.050 -0.099 0.000 0.877 330 N CB -0.091 38.360 38.487 -0.061 0.000 1.183 330 N HN 0.234 nan 8.380 nan 0.000 0.443 331 A N -0.200 122.544 122.820 -0.126 0.000 2.067 331 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 331 A C 1.449 179.041 177.584 0.014 0.000 1.158 331 A CA 0.685 52.669 52.037 -0.089 0.000 0.661 331 A CB -0.708 18.199 19.000 -0.156 0.000 0.801 331 A HN 0.444 nan 8.150 nan 0.000 0.452 332 F N 0.628 120.307 119.950 -0.452 0.000 2.811 332 F HA 0.157 4.683 4.527 -0.001 0.000 0.301 332 F C 1.506 177.197 175.800 -0.181 0.000 1.151 332 F CA -0.043 57.716 58.000 -0.401 0.000 1.412 332 F CB -0.325 37.959 39.000 -1.193 0.000 1.113 332 F HN 0.163 nan 8.300 nan 0.000 0.579 333 R N -0.759 119.650 120.500 -0.151 0.000 2.363 333 R HA -0.061 4.278 4.340 -0.001 0.000 0.236 333 R C 1.445 177.644 176.300 -0.169 0.000 0.966 333 R CA 0.226 56.070 56.100 -0.427 0.000 1.100 333 R CB -0.740 29.220 30.300 -0.566 0.000 1.125 333 R HN 0.463 nan 8.270 nan 0.000 0.514 334 Y N -2.088 118.198 120.300 -0.023 0.000 2.483 334 Y HA 0.094 4.644 4.550 -0.001 0.000 0.291 334 Y C 1.846 177.761 175.900 0.025 0.000 1.143 334 Y CA 0.711 58.794 58.100 -0.029 0.000 1.289 334 Y CB -0.613 37.810 38.460 -0.062 0.000 0.983 334 Y HN -0.058 nan 8.280 nan 0.000 0.556 335 G N 0.063 108.169 108.800 -1.156 0.000 2.443 335 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.219 335 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.219 335 G C 1.167 175.961 174.900 -0.176 0.000 1.131 335 G CA 0.829 45.399 45.100 -0.883 0.000 0.775 335 G HN 0.694 nan 8.290 nan 0.000 0.547 336 H N 0.448 119.434 119.070 -0.140 0.000 2.460 336 H HA -0.108 4.448 4.556 -0.001 0.000 0.297 336 H C 2.577 177.926 175.328 0.035 0.000 1.103 336 H CA 1.184 57.214 56.048 -0.031 0.000 1.292 336 H CB 0.108 29.873 29.762 0.004 0.000 1.376 336 H HN 0.486 nan 8.280 nan 0.000 0.531 337 T N -1.148 113.521 114.554 0.192 0.000 3.215 337 T HA 0.012 4.361 4.350 -0.001 0.000 0.254 337 T C 1.256 176.003 174.700 0.077 0.000 1.149 337 T CA 0.237 62.419 62.100 0.137 0.000 1.042 337 T CB -0.015 68.908 68.868 0.092 0.000 0.966 337 T HN 0.061 nan 8.240 nan 0.000 0.534 338 L N 1.137 122.390 121.223 0.049 0.000 2.638 338 L HA 0.481 4.821 4.340 -0.001 0.000 0.232 338 L C 1.062 177.960 176.870 0.047 0.000 1.099 338 L CA -0.589 54.280 54.840 0.049 0.000 0.883 338 L CB -0.238 41.842 42.059 0.035 0.000 1.136 338 L HN 0.526 nan 8.230 nan 0.000 0.492 339 I N -1.078 119.511 120.570 0.032 0.000 2.813 339 I HA 0.103 4.272 4.170 -0.001 0.000 0.287 339 I C -0.073 176.061 176.117 0.029 0.000 1.196 339 I CA -0.012 61.299 61.300 0.020 0.000 1.421 339 I CB 0.389 38.381 38.000 -0.013 0.000 1.365 339 I HN 0.155 nan 8.210 nan 0.000 0.591 340 Q N 5.852 125.681 119.800 0.047 0.000 2.306 340 Q HA 0.433 4.772 4.340 -0.001 0.000 0.265 340 Q C -1.979 173.975 176.000 -0.076 0.000 1.022 340 Q CA -1.755 54.089 55.803 0.068 0.000 0.853 340 Q CB 2.319 31.217 28.738 0.266 0.000 1.327 340 Q HN 0.521 nan 8.270 nan 0.000 0.449 341 P HA -0.010 nan 4.420 nan 0.000 0.251 341 P C -0.935 175.848 177.300 -0.862 0.000 1.251 341 P CA 0.909 63.671 63.100 -0.565 0.000 0.763 341 P CB 0.096 31.360 31.700 -0.726 0.000 1.067 342 F N -1.675 118.140 119.950 -0.226 0.000 2.643 342 F HA 0.488 5.015 4.527 -0.001 0.000 0.314 342 F C 0.202 175.746 175.800 -0.427 0.000 1.096 342 F CA -1.351 56.392 58.000 -0.429 0.000 0.953 342 F CB 1.233 39.721 39.000 -0.853 0.000 1.345 342 F HN -0.352 nan 8.300 nan 0.000 0.468 343 M N 2.547 122.042 119.600 -0.175 0.000 2.114 343 M HA 0.475 4.955 4.480 -0.001 0.000 0.332 343 M C -2.017 174.171 176.300 -0.186 0.000 1.014 343 M CA -0.386 54.833 55.300 -0.136 0.000 0.956 343 M CB 0.754 33.267 32.600 -0.145 0.000 1.551 343 M HN 0.531 nan 8.290 nan 0.000 0.427 344 F N 4.117 124.066 119.950 -0.002 0.000 2.404 344 F HA 0.496 5.023 4.527 -0.001 0.000 0.354 344 F C -0.074 175.694 175.800 -0.054 0.000 1.122 344 F CA -0.589 57.393 58.000 -0.030 0.000 1.080 344 F CB 1.059 40.054 39.000 -0.009 0.000 1.131 344 F HN 0.485 nan 8.300 nan 0.000 0.471 345 R N 3.025 123.579 120.500 0.090 0.000 2.562 345 R HA 0.740 5.079 4.340 -0.001 0.000 0.298 345 R C -1.638 174.659 176.300 -0.005 0.000 0.961 345 R CA -0.699 55.406 56.100 0.008 0.000 0.881 345 R CB 1.463 31.737 30.300 -0.044 0.000 1.159 345 R HN 0.378 nan 8.270 nan 0.000 0.450 346 L N 2.905 124.092 121.223 -0.060 0.000 2.408 346 L HA 0.321 4.661 4.340 -0.001 0.000 0.268 346 L C -0.162 176.592 176.870 -0.193 0.000 0.986 346 L CA -0.818 53.952 54.840 -0.117 0.000 0.820 346 L CB 1.605 43.578 42.059 -0.142 0.000 1.303 346 L HN 0.738 nan 8.230 nan 0.000 0.411 347 D N 1.354 121.649 120.400 -0.174 0.000 2.356 347 D HA 0.017 4.656 4.640 -0.001 0.000 0.258 347 D C 0.063 176.208 176.300 -0.258 0.000 1.279 347 D CA -0.227 53.668 54.000 -0.174 0.000 1.016 347 D CB 0.778 41.511 40.800 -0.110 0.000 1.107 347 D HN 0.457 nan 8.370 nan 0.000 0.544 348 N N -1.671 116.940 118.700 -0.149 0.000 2.336 348 N HA -0.020 4.720 4.740 -0.001 0.000 0.189 348 N C 1.423 176.900 175.510 -0.057 0.000 1.113 348 N CA 0.325 53.265 53.050 -0.184 0.000 0.858 348 N CB -0.693 37.755 38.487 -0.064 0.000 0.970 348 N HN 0.565 nan 8.380 nan 0.000 0.471 349 R N 0.208 120.689 120.500 -0.031 0.000 2.362 349 R HA -0.029 4.310 4.340 -0.001 0.000 0.204 349 R C -0.189 176.062 176.300 -0.081 0.000 1.088 349 R CA -0.211 55.904 56.100 0.024 0.000 1.121 349 R CB -2.206 28.093 30.300 -0.001 0.000 0.954 349 R HN 0.348 nan 8.270 nan 0.000 0.478 350 Y N -0.303 119.826 120.300 -0.285 0.000 3.108 350 Y HA -0.313 4.236 4.550 -0.001 0.000 0.208 350 Y C 0.364 175.994 175.900 -0.451 0.000 1.245 350 Y CA 1.367 59.177 58.100 -0.484 0.000 1.171 350 Y CB -1.567 36.252 38.460 -1.067 0.000 1.331 350 Y HN 0.592 nan 8.280 nan 0.000 0.534 351 Q N 0.091 119.775 119.800 -0.193 0.000 2.433 351 Q HA 0.382 4.722 4.340 -0.001 0.000 0.279 351 Q C -2.465 173.477 176.000 -0.096 0.000 1.105 351 Q CA -2.306 53.415 55.803 -0.136 0.000 0.815 351 Q CB 1.902 30.578 28.738 -0.103 0.000 1.403 351 Q HN -0.129 nan 8.270 nan 0.000 0.435 352 P HA -0.105 nan 4.420 nan 0.000 0.242 352 P C -0.311 176.960 177.300 -0.049 0.000 1.116 352 P CA 0.768 63.843 63.100 -0.042 0.000 0.954 352 P CB -0.143 31.540 31.700 -0.028 0.000 0.908 353 M N 3.188 122.756 119.600 -0.054 0.000 2.842 353 M HA -0.020 4.459 4.480 -0.001 0.000 0.314 353 M C 1.430 177.702 176.300 -0.046 0.000 1.646 353 M CA 0.411 55.677 55.300 -0.056 0.000 1.484 353 M CB -0.271 32.288 32.600 -0.067 0.000 1.727 353 M HN 0.354 nan 8.290 nan 0.000 0.468 354 E N 4.743 124.920 120.200 -0.040 0.000 2.520 354 E HA -0.036 4.314 4.350 -0.001 0.000 0.201 354 E C -1.515 175.070 176.600 -0.025 0.000 1.122 354 E CA -0.014 56.366 56.400 -0.033 0.000 0.896 354 E CB -1.424 28.258 29.700 -0.029 0.000 0.891 354 E HN 0.666 nan 8.360 nan 0.000 0.533 355 P HA -0.153 nan 4.420 nan 0.000 0.213 355 P C 0.088 177.381 177.300 -0.012 0.000 1.176 355 P CA 1.212 64.305 63.100 -0.012 0.000 0.919 355 P CB 0.219 31.909 31.700 -0.016 0.000 0.791 356 N N -3.028 115.654 118.700 -0.029 0.000 2.777 356 N HA 0.107 4.847 4.740 -0.001 0.000 0.260 356 N C -2.528 172.943 175.510 -0.066 0.000 1.113 356 N CA -0.889 52.137 53.050 -0.041 0.000 0.996 356 N CB 1.853 40.325 38.487 -0.027 0.000 1.584 356 N HN -0.083 nan 8.380 nan 0.000 0.573 357 P HA 0.045 nan 4.420 nan 0.000 0.219 357 P C -0.048 177.176 177.300 -0.127 0.000 1.154 357 P CA 0.836 63.892 63.100 -0.073 0.000 0.826 357 P CB 1.025 32.694 31.700 -0.052 0.000 0.795 358 R N 0.399 120.768 120.500 -0.219 0.000 2.422 358 R HA 0.458 4.797 4.340 -0.001 0.000 0.307 358 R C -1.620 174.514 176.300 -0.277 0.000 1.004 358 R CA -0.584 55.259 56.100 -0.428 0.000 0.882 358 R CB 2.003 31.937 30.300 -0.609 0.000 1.164 358 R HN -0.091 nan 8.270 nan 0.000 0.489 359 V N 5.023 124.849 119.914 -0.147 0.000 2.495 359 V HA 0.601 4.720 4.120 -0.001 0.000 0.298 359 V C -2.507 173.641 176.094 0.090 0.000 1.031 359 V CA -2.636 59.652 62.300 -0.020 0.000 0.871 359 V CB 2.034 33.814 31.823 -0.071 0.000 0.988 359 V HN 0.562 nan 8.190 nan 0.000 0.432 360 P HA 0.083 nan 4.420 nan 0.000 0.264 360 P C 0.641 177.853 177.300 -0.145 0.000 1.193 360 P CA 0.052 63.148 63.100 -0.008 0.000 0.763 360 P CB 0.700 32.399 31.700 -0.001 0.000 0.810 361 L N 3.184 124.247 121.223 -0.268 0.000 2.450 361 L HA -0.176 4.163 4.340 -0.001 0.000 0.225 361 L C 1.945 178.396 176.870 -0.698 0.000 1.145 361 L CA 1.856 56.416 54.840 -0.466 0.000 0.801 361 L CB -0.857 40.965 42.059 -0.395 0.000 0.924 361 L HN 0.293 nan 8.230 nan 0.000 0.447 362 S N -0.834 114.780 115.700 -0.145 0.000 2.446 362 S HA 0.069 4.539 4.470 -0.001 0.000 0.225 362 S C 1.106 175.839 174.600 0.222 0.000 1.016 362 S CA 0.443 58.810 58.200 0.278 0.000 0.943 362 S CB -0.003 63.302 63.200 0.174 0.000 0.786 362 S HN 0.476 nan 8.310 nan 0.000 0.508 363 R N 1.036 121.547 120.500 0.017 0.000 3.130 363 R HA 0.278 4.617 4.340 -0.001 0.000 0.348 363 R C 0.534 176.840 176.300 0.009 0.000 1.241 363 R CA -0.001 56.151 56.100 0.086 0.000 1.141 363 R CB 0.396 30.759 30.300 0.104 0.000 1.453 363 R HN 0.288 nan 8.270 nan 0.000 0.590 364 V N -2.932 116.890 119.914 -0.153 0.000 3.408 364 V HA 0.332 4.452 4.120 -0.001 0.000 0.263 364 V C 0.063 176.066 176.094 -0.151 0.000 1.503 364 V CA -0.106 62.068 62.300 -0.212 0.000 1.046 364 V CB 0.020 31.645 31.823 -0.331 0.000 0.851 364 V HN 0.031 nan 8.190 nan 0.000 0.435 365 F N 2.523 122.510 119.950 0.063 0.000 2.593 365 F HA 0.387 4.913 4.527 -0.001 0.000 0.393 365 F C 0.911 176.795 175.800 0.140 0.000 1.037 365 F CA 0.934 58.973 58.000 0.066 0.000 1.195 365 F CB -0.938 38.241 39.000 0.299 0.000 1.034 365 F HN 0.226 nan 8.300 nan 0.000 0.552 366 F N -0.181 119.887 119.950 0.196 0.000 2.871 366 F HA -0.296 4.230 4.527 -0.001 0.000 0.326 366 F C 1.096 176.949 175.800 0.088 0.000 0.675 366 F CA 0.256 58.311 58.000 0.092 0.000 1.188 366 F CB -1.791 37.215 39.000 0.010 0.000 1.567 366 F HN 0.517 nan 8.300 nan 0.000 0.325 367 A N 0.310 123.233 122.820 0.172 0.000 2.922 367 A HA 0.547 4.866 4.320 -0.001 0.000 0.298 367 A C 1.283 178.846 177.584 -0.035 0.000 1.588 367 A CA 0.443 52.540 52.037 0.100 0.000 1.288 367 A CB -0.130 18.799 19.000 -0.118 0.000 1.130 367 A HN 0.310 nan 8.150 nan 0.000 0.557 368 S N 2.353 118.117 115.700 0.108 0.000 2.382 368 S HA -0.181 4.288 4.470 -0.001 0.000 0.228 368 S C 1.795 176.453 174.600 0.096 0.000 1.027 368 S CA 1.141 59.425 58.200 0.139 0.000 0.991 368 S CB -0.553 62.609 63.200 -0.063 0.000 0.823 368 S HN 1.029 nan 8.310 nan 0.000 0.469 369 W N 2.982 124.287 121.300 0.009 0.000 2.290 369 W HA -0.246 4.414 4.660 -0.001 0.000 0.318 369 W C 1.904 178.412 176.519 -0.019 0.000 1.248 369 W CA 1.451 58.776 57.345 -0.033 0.000 1.263 369 W CB -1.110 28.325 29.460 -0.041 0.000 1.147 369 W HN 0.204 nan 8.180 nan 0.000 0.494 370 R N 0.910 120.880 120.500 -0.883 0.000 2.096 370 R HA -0.162 4.177 4.340 -0.001 0.000 0.240 370 R C 2.559 178.661 176.300 -0.331 0.000 1.139 370 R CA 2.741 58.309 56.100 -0.886 0.000 0.952 370 R CB -0.825 28.920 30.300 -0.925 0.000 0.854 370 R HN 0.142 nan 8.270 nan 0.000 0.436 371 V N -0.687 119.121 119.914 -0.177 0.000 2.295 371 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 371 V C 2.084 178.166 176.094 -0.021 0.000 1.049 371 V CA 1.808 64.074 62.300 -0.057 0.000 1.024 371 V CB -0.136 31.724 31.823 0.061 0.000 0.648 371 V HN 0.190 nan 8.190 nan 0.000 0.447 372 V N -0.920 119.005 119.914 0.018 0.000 2.346 372 V HA -0.092 4.027 4.120 -0.001 0.000 0.244 372 V C 2.047 178.079 176.094 -0.102 0.000 1.037 372 V CA 1.354 63.618 62.300 -0.061 0.000 1.029 372 V CB -0.243 31.461 31.823 -0.197 0.000 0.663 372 V HN 0.360 nan 8.190 nan 0.000 0.454 373 L N -0.687 120.514 121.223 -0.037 0.000 2.463 373 L HA 0.197 4.536 4.340 -0.001 0.000 0.219 373 L C 1.885 178.785 176.870 0.050 0.000 1.088 373 L CA 1.043 55.904 54.840 0.035 0.000 0.849 373 L CB -0.739 41.426 42.059 0.177 0.000 1.012 373 L HN 0.344 nan 8.230 nan 0.000 0.468 374 E N -0.395 119.798 120.200 -0.013 0.000 2.320 374 E HA 0.281 4.631 4.350 -0.001 0.000 0.189 374 E C 1.067 177.632 176.600 -0.058 0.000 1.100 374 E CA 0.512 56.878 56.400 -0.057 0.000 1.009 374 E CB -0.255 29.323 29.700 -0.203 0.000 1.145 374 E HN 0.415 nan 8.360 nan 0.000 0.454 375 G N -0.898 107.883 108.800 -0.031 0.000 2.229 375 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.189 375 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.189 375 G C 0.587 175.463 174.900 -0.040 0.000 1.000 375 G CA -0.503 44.576 45.100 -0.035 0.000 0.663 375 G HN 0.884 nan 8.290 nan 0.000 0.493 376 G N -0.927 107.847 108.800 -0.043 0.000 2.631 376 G HA2 0.047 4.007 3.960 -0.001 0.000 0.504 376 G HA3 0.047 4.007 3.960 -0.001 0.000 0.504 376 G C 0.603 175.465 174.900 -0.064 0.000 1.306 376 G CA -0.016 45.059 45.100 -0.043 0.000 0.897 376 G HN 0.924 nan 8.290 nan 0.000 0.520 377 I N 0.536 121.066 120.570 -0.067 0.000 2.876 377 I HA -0.005 4.165 4.170 -0.001 0.000 0.264 377 I C 1.908 177.983 176.117 -0.069 0.000 1.204 377 I CA 1.638 62.891 61.300 -0.078 0.000 1.485 377 I CB -0.359 37.587 38.000 -0.090 0.000 1.103 377 I HN 0.560 nan 8.210 nan 0.000 0.446 378 D N 1.676 122.038 120.400 -0.064 0.000 2.085 378 D HA -0.088 4.552 4.640 -0.001 0.000 0.199 378 D C -0.833 175.414 176.300 -0.088 0.000 0.981 378 D CA 0.948 54.906 54.000 -0.070 0.000 0.834 378 D CB -2.010 38.748 40.800 -0.070 0.000 0.992 378 D HN 0.218 nan 8.370 nan 0.000 0.457 379 P HA -0.151 nan 4.420 nan 0.000 0.218 379 P C 1.350 178.605 177.300 -0.074 0.000 1.147 379 P CA 0.977 64.018 63.100 -0.098 0.000 0.827 379 P CB 0.029 31.678 31.700 -0.085 0.000 0.778 380 I N -1.692 118.840 120.570 -0.062 0.000 2.206 380 I HA -0.140 4.029 4.170 -0.001 0.000 0.239 380 I C 2.234 178.339 176.117 -0.020 0.000 1.078 380 I CA 0.849 62.126 61.300 -0.039 0.000 1.367 380 I CB -1.015 36.954 38.000 -0.052 0.000 1.078 380 I HN -0.188 nan 8.210 nan 0.000 0.413 381 L N 0.540 121.744 121.223 -0.031 0.000 2.189 381 L HA -0.191 4.148 4.340 -0.001 0.000 0.214 381 L C 2.303 179.180 176.870 0.012 0.000 1.097 381 L CA 1.742 56.574 54.840 -0.014 0.000 0.764 381 L CB -0.791 41.253 42.059 -0.025 0.000 0.900 381 L HN 0.153 nan 8.230 nan 0.000 0.436 382 R N -1.848 118.635 120.500 -0.028 0.000 2.313 382 R HA 0.058 4.398 4.340 -0.001 0.000 0.199 382 R C 1.805 178.121 176.300 0.026 0.000 0.958 382 R CA 0.584 56.650 56.100 -0.058 0.000 1.047 382 R CB -0.048 30.077 30.300 -0.292 0.000 0.955 382 R HN 0.457 nan 8.270 nan 0.000 0.481 383 G N -0.472 108.352 108.800 0.040 0.000 2.720 383 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.204 383 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.204 383 G C 1.160 176.091 174.900 0.052 0.000 1.113 383 G CA -0.245 44.892 45.100 0.063 0.000 0.805 383 G HN 0.080 nan 8.290 nan 0.000 0.536 384 L N 0.066 121.324 121.223 0.059 0.000 2.131 384 L HA 0.066 4.406 4.340 -0.001 0.000 0.210 384 L C 2.829 179.720 176.870 0.035 0.000 1.092 384 L CA 1.070 55.940 54.840 0.049 0.000 0.759 384 L CB -0.239 41.843 42.059 0.039 0.000 0.903 384 L HN 0.173 nan 8.230 nan 0.000 0.435 385 M N -1.388 118.248 119.600 0.060 0.000 2.325 385 M HA 0.041 4.520 4.480 -0.001 0.000 0.265 385 M C 1.671 178.014 176.300 0.071 0.000 1.094 385 M CA 1.294 56.618 55.300 0.041 0.000 1.161 385 M CB 0.142 32.831 32.600 0.147 0.000 1.358 385 M HN 0.215 nan 8.290 nan 0.000 0.446 386 A N -0.492 122.447 122.820 0.198 0.000 2.535 386 A HA 0.251 4.571 4.320 -0.001 0.000 0.273 386 A C 0.475 178.079 177.584 0.034 0.000 1.267 386 A CA -0.051 52.121 52.037 0.226 0.000 0.940 386 A CB -0.230 19.061 19.000 0.484 0.000 1.101 386 A HN 0.359 nan 8.150 nan 0.000 0.521 387 T N -0.899 113.603 114.554 -0.086 0.000 2.881 387 T HA 0.633 4.983 4.350 -0.001 0.000 0.290 387 T C -3.235 171.357 174.700 -0.179 0.000 1.000 387 T CA -1.969 59.973 62.100 -0.265 0.000 0.978 387 T CB 1.791 70.229 68.868 -0.716 0.000 0.997 387 T HN -0.006 nan 8.240 nan 0.000 0.443 388 P HA 0.409 nan 4.420 nan 0.000 0.269 388 P C -0.563 176.724 177.300 -0.022 0.000 1.217 388 P CA -0.416 62.652 63.100 -0.053 0.000 0.783 388 P CB 0.159 31.841 31.700 -0.030 0.000 0.898 389 A N 1.626 124.461 122.820 0.024 0.000 2.310 389 A HA 0.470 4.789 4.320 -0.001 0.000 0.299 389 A C 0.260 177.881 177.584 0.062 0.000 1.147 389 A CA -0.618 51.453 52.037 0.057 0.000 0.818 389 A CB 0.088 19.133 19.000 0.075 0.000 1.096 389 A HN 0.572 nan 8.150 nan 0.000 0.495 390 K N 1.737 122.182 120.400 0.076 0.000 2.382 390 K HA 0.350 4.669 4.320 -0.001 0.000 0.275 390 K C -0.542 176.096 176.600 0.062 0.000 1.009 390 K CA 0.060 56.390 56.287 0.072 0.000 0.970 390 K CB 0.405 32.949 32.500 0.074 0.000 0.934 390 K HN 0.708 nan 8.250 nan 0.000 0.479 391 L N 2.679 123.934 121.223 0.053 0.000 2.309 391 L HA 0.432 4.771 4.340 -0.001 0.000 0.282 391 L C -0.538 176.357 176.870 0.041 0.000 1.036 391 L CA -0.685 54.183 54.840 0.048 0.000 0.806 391 L CB 1.277 43.359 42.059 0.039 0.000 1.220 391 L HN 0.866 nan 8.230 nan 0.000 0.429 392 N N 4.274 122.998 118.700 0.040 0.000 2.513 392 N HA 0.271 5.010 4.740 -0.001 0.000 0.268 392 N C -1.120 174.398 175.510 0.012 0.000 1.180 392 N CA 0.075 53.141 53.050 0.026 0.000 0.948 392 N CB 0.563 39.063 38.487 0.021 0.000 1.083 392 N HN 0.738 nan 8.380 nan 0.000 0.455 393 R N 2.458 122.963 120.500 0.009 0.000 2.854 393 R HA 0.195 4.534 4.340 -0.001 0.000 0.271 393 R C 0.653 176.950 176.300 -0.004 0.000 0.994 393 R CA -0.703 55.399 56.100 0.004 0.000 0.945 393 R CB 1.073 31.380 30.300 0.012 0.000 1.194 393 R HN 0.614 nan 8.270 nan 0.000 0.476 394 Q N 0.352 120.148 119.800 -0.007 0.000 2.437 394 Q HA -0.083 4.257 4.340 -0.001 0.000 0.210 394 Q C 0.784 176.787 176.000 0.005 0.000 0.972 394 Q CA 1.349 57.146 55.803 -0.009 0.000 0.903 394 Q CB -0.022 28.711 28.738 -0.008 0.000 0.967 394 Q HN 0.521 nan 8.270 nan 0.000 0.486 395 N N -0.265 118.442 118.700 0.011 0.000 2.356 395 N HA -0.016 4.724 4.740 -0.001 0.000 0.178 395 N C -0.409 175.114 175.510 0.022 0.000 1.075 395 N CA 0.210 53.271 53.050 0.017 0.000 0.889 395 N CB 0.606 39.104 38.487 0.018 0.000 0.999 395 N HN 0.113 nan 8.380 nan 0.000 0.464 396 Q N 0.620 120.433 119.800 0.022 0.000 3.122 396 Q HA 0.291 4.631 4.340 -0.001 0.000 0.282 396 Q C 0.305 176.326 176.000 0.035 0.000 0.947 396 Q CA -0.154 55.666 55.803 0.029 0.000 0.812 396 Q CB 0.925 29.680 28.738 0.029 0.000 1.333 396 Q HN 0.246 nan 8.270 nan 0.000 0.430 397 I N -0.359 120.237 120.570 0.044 0.000 2.054 397 I HA -0.009 4.161 4.170 -0.001 0.000 0.231 397 I C 0.961 177.144 176.117 0.110 0.000 1.052 397 I CA 0.622 61.961 61.300 0.064 0.000 1.320 397 I CB -0.234 37.803 38.000 0.062 0.000 1.063 397 I HN 0.330 nan 8.210 nan 0.000 0.393 398 A N 0.952 123.852 122.820 0.133 0.000 2.355 398 A HA 0.580 4.899 4.320 -0.001 0.000 0.317 398 A C -0.599 177.014 177.584 0.049 0.000 1.094 398 A CA -0.439 51.668 52.037 0.116 0.000 0.764 398 A CB 1.638 20.734 19.000 0.160 0.000 1.230 398 A HN 0.170 nan 8.150 nan 0.000 0.448 399 V N 1.795 121.720 119.914 0.019 0.000 2.775 399 V HA 0.169 4.288 4.120 -0.001 0.000 0.299 399 V C 0.843 176.917 176.094 -0.034 0.000 1.062 399 V CA 0.337 62.628 62.300 -0.015 0.000 1.063 399 V CB 0.611 32.409 31.823 -0.042 0.000 0.994 399 V HN 0.954 nan 8.190 nan 0.000 0.483 400 D N 2.716 123.093 120.400 -0.039 0.000 2.190 400 D HA -0.135 4.505 4.640 -0.001 0.000 0.200 400 D C 1.736 178.004 176.300 -0.053 0.000 0.992 400 D CA 1.627 55.601 54.000 -0.044 0.000 0.854 400 D CB 0.004 40.783 40.800 -0.034 0.000 0.936 400 D HN 0.775 nan 8.370 nan 0.000 0.462 401 E N 0.029 120.187 120.200 -0.069 0.000 2.501 401 E HA -0.110 4.240 4.350 -0.001 0.000 0.203 401 E C 1.711 178.320 176.600 0.016 0.000 1.072 401 E CA 0.473 56.849 56.400 -0.039 0.000 0.885 401 E CB 0.025 29.664 29.700 -0.101 0.000 0.813 401 E HN 0.615 nan 8.360 nan 0.000 0.556 402 I N -4.218 116.323 120.570 -0.048 0.000 4.670 402 I HA 0.190 4.359 4.170 -0.001 0.000 0.339 402 I C 1.738 177.755 176.117 -0.166 0.000 1.310 402 I CA -0.303 60.926 61.300 -0.119 0.000 1.288 402 I CB 0.400 38.326 38.000 -0.124 0.000 1.427 402 I HN -0.178 nan 8.210 nan 0.000 0.494 403 R N 1.764 122.200 120.500 -0.108 0.000 2.223 403 R HA 0.167 4.506 4.340 -0.001 0.000 0.198 403 R C 0.895 177.138 176.300 -0.094 0.000 0.984 403 R CA 1.179 57.221 56.100 -0.098 0.000 1.018 403 R CB 0.444 30.711 30.300 -0.054 0.000 0.945 403 R HN 0.553 nan 8.270 nan 0.000 0.479 404 E N -0.943 119.207 120.200 -0.083 0.000 2.665 404 E HA 0.118 4.467 4.350 -0.001 0.000 0.225 404 E C 0.308 176.869 176.600 -0.064 0.000 0.922 404 E CA -0.185 56.175 56.400 -0.068 0.000 1.242 404 E CB 0.880 30.554 29.700 -0.042 0.000 1.197 404 E HN 0.083 nan 8.360 nan 0.000 0.581 405 R N 1.139 121.595 120.500 -0.074 0.000 2.629 405 R HA 0.271 4.610 4.340 -0.001 0.000 0.386 405 R C 0.118 176.316 176.300 -0.169 0.000 1.071 405 R CA -0.384 55.691 56.100 -0.042 0.000 1.104 405 R CB 0.426 30.762 30.300 0.060 0.000 1.370 405 R HN -0.018 nan 8.270 nan 0.000 0.574 406 L N 2.274 123.290 121.223 -0.346 0.000 2.500 406 L HA 0.121 4.460 4.340 -0.001 0.000 0.272 406 L C -0.568 175.869 176.870 -0.722 0.000 1.149 406 L CA 0.413 54.785 54.840 -0.781 0.000 0.897 406 L CB -0.427 41.169 42.059 -0.771 0.000 1.178 406 L HN 0.188 nan 8.230 nan 0.000 0.473 407 F N 3.666 123.114 119.950 -0.835 0.000 2.457 407 F HA -0.225 4.301 4.527 -0.001 0.000 0.290 407 F C 1.113 176.851 175.800 -0.104 0.000 1.058 407 F CA 1.301 59.072 58.000 -0.382 0.000 1.051 407 F CB -1.580 37.334 39.000 -0.144 0.000 1.331 407 F HN 0.751 nan 8.300 nan 0.000 0.814 408 E N -0.257 120.051 120.200 0.180 0.000 2.453 408 E HA 0.013 4.362 4.350 -0.001 0.000 0.211 408 E C 1.483 178.170 176.600 0.145 0.000 0.897 408 E CA 0.452 56.934 56.400 0.137 0.000 1.063 408 E CB -0.119 29.632 29.700 0.086 0.000 1.080 408 E HN 0.604 nan 8.360 nan 0.000 0.512 409 Q N 0.782 120.705 119.800 0.205 0.000 2.500 409 Q HA 0.043 4.382 4.340 -0.001 0.000 0.213 409 Q C 1.600 177.680 176.000 0.133 0.000 0.974 409 Q CA 1.048 56.956 55.803 0.173 0.000 0.918 409 Q CB 0.295 29.166 28.738 0.221 0.000 0.980 409 Q HN 0.169 nan 8.270 nan 0.000 0.505 410 V N -1.076 118.919 119.914 0.134 0.000 3.219 410 V HA 0.278 4.398 4.120 -0.001 0.000 0.240 410 V C 0.476 176.583 176.094 0.020 0.000 1.222 410 V CA 0.299 62.627 62.300 0.045 0.000 1.181 410 V CB 0.636 32.459 31.823 -0.001 0.000 0.941 410 V HN 0.330 nan 8.190 nan 0.000 0.471 411 M N -1.064 118.578 119.600 0.071 0.000 2.753 411 M HA 0.425 4.905 4.480 -0.001 0.000 0.299 411 M C 1.354 177.687 176.300 0.055 0.000 1.219 411 M CA -0.264 55.073 55.300 0.061 0.000 0.900 411 M CB 1.145 33.817 32.600 0.119 0.000 1.628 411 M HN -0.107 nan 8.290 nan 0.000 0.502 412 R N 0.929 121.456 120.500 0.045 0.000 2.143 412 R HA -0.096 4.244 4.340 -0.001 0.000 0.239 412 R C 0.238 176.556 176.300 0.029 0.000 1.126 412 R CA 1.844 57.963 56.100 0.032 0.000 0.927 412 R CB -0.164 30.155 30.300 0.032 0.000 0.860 412 R HN 0.703 nan 8.270 nan 0.000 0.433 413 I N -1.184 119.404 120.570 0.030 0.000 3.002 413 I HA 0.405 4.574 4.170 -0.001 0.000 0.310 413 I C -0.672 175.457 176.117 0.019 0.000 1.087 413 I CA -0.780 60.531 61.300 0.018 0.000 1.017 413 I CB 2.250 40.255 38.000 0.009 0.000 1.226 413 I HN 0.210 nan 8.210 nan 0.000 0.443 414 G N 5.057 113.856 108.800 -0.002 0.000 2.335 414 G HA2 0.539 4.499 3.960 -0.001 0.000 0.316 414 G HA3 0.539 4.499 3.960 -0.001 0.000 0.316 414 G C -0.832 174.026 174.900 -0.070 0.000 1.129 414 G CA -0.468 44.615 45.100 -0.029 0.000 0.899 414 G HN 0.392 nan 8.290 nan 0.000 0.448 415 L N 1.433 122.590 121.223 -0.111 0.000 2.476 415 L HA 0.239 4.579 4.340 -0.001 0.000 0.264 415 L C 0.524 177.283 176.870 -0.185 0.000 1.224 415 L CA 0.055 54.810 54.840 -0.142 0.000 0.821 415 L CB 0.614 42.568 42.059 -0.176 0.000 1.101 415 L HN 0.362 nan 8.230 nan 0.000 0.488 416 D N 0.619 120.921 120.400 -0.163 0.000 2.462 416 D HA 0.154 4.793 4.640 -0.001 0.000 0.249 416 D C 0.719 176.897 176.300 -0.204 0.000 1.117 416 D CA -0.494 53.405 54.000 -0.168 0.000 0.900 416 D CB 1.008 41.730 40.800 -0.130 0.000 1.039 416 D HN 0.291 nan 8.370 nan 0.000 0.516 417 L N 6.607 127.678 121.223 -0.253 0.000 1.957 417 L HA -0.136 4.203 4.340 -0.001 0.000 0.228 417 L C -0.826 175.851 176.870 -0.323 0.000 1.086 417 L CA 2.358 57.026 54.840 -0.286 0.000 0.796 417 L CB -1.582 40.271 42.059 -0.343 0.000 0.900 417 L HN 0.341 nan 8.230 nan 0.000 0.439 418 P HA -0.297 nan 4.420 nan 0.000 0.222 418 P C 1.472 178.526 177.300 -0.411 0.000 1.159 418 P CA 2.940 65.709 63.100 -0.552 0.000 0.920 418 P CB -0.377 31.181 31.700 -0.236 0.000 0.793 419 A N -1.379 121.293 122.820 -0.247 0.000 1.930 419 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 419 A C 2.269 179.708 177.584 -0.241 0.000 1.175 419 A CA 1.489 53.404 52.037 -0.202 0.000 0.627 419 A CB -1.542 17.359 19.000 -0.165 0.000 0.815 419 A HN 0.133 nan 8.150 nan 0.000 0.443 420 L N -0.069 121.024 121.223 -0.216 0.000 2.217 420 L HA -0.110 4.229 4.340 -0.001 0.000 0.211 420 L C 2.081 178.867 176.870 -0.140 0.000 1.107 420 L CA 1.460 56.223 54.840 -0.128 0.000 0.783 420 L CB -0.537 41.512 42.059 -0.016 0.000 0.919 420 L HN 0.457 nan 8.230 nan 0.000 0.442 421 N N -1.091 117.442 118.700 -0.278 0.000 2.171 421 N HA -0.149 4.591 4.740 -0.001 0.000 0.184 421 N C 1.830 177.210 175.510 -0.217 0.000 1.021 421 N CA 0.854 53.701 53.050 -0.337 0.000 0.854 421 N CB -0.114 37.907 38.487 -0.775 0.000 0.994 421 N HN 0.223 nan 8.380 nan 0.000 0.426 422 M N 0.424 119.908 119.600 -0.192 0.000 2.296 422 M HA -0.147 4.332 4.480 -0.001 0.000 0.265 422 M C 2.084 178.329 176.300 -0.093 0.000 1.064 422 M CA 1.365 56.626 55.300 -0.065 0.000 1.109 422 M CB 0.189 32.776 32.600 -0.021 0.000 1.396 422 M HN 0.100 nan 8.290 nan 0.000 0.430 423 Q N -0.648 119.005 119.800 -0.245 0.000 2.354 423 Q HA 0.016 4.355 4.340 -0.001 0.000 0.203 423 Q C 1.845 177.757 176.000 -0.147 0.000 0.933 423 Q CA 0.775 56.340 55.803 -0.396 0.000 0.901 423 Q CB 0.268 28.404 28.738 -1.003 0.000 1.007 423 Q HN 0.296 nan 8.270 nan 0.000 0.495 424 R N -0.364 120.144 120.500 0.014 0.000 2.148 424 R HA -0.037 4.302 4.340 -0.001 0.000 0.223 424 R C 2.293 178.659 176.300 0.111 0.000 1.088 424 R CA 0.930 57.136 56.100 0.178 0.000 0.985 424 R CB -0.331 29.952 30.300 -0.028 0.000 0.880 424 R HN 0.243 nan 8.270 nan 0.000 0.451 425 S N 1.359 117.090 115.700 0.052 0.000 2.377 425 S HA -0.247 4.223 4.470 -0.001 0.000 0.224 425 S C 1.938 176.646 174.600 0.181 0.000 1.042 425 S CA 1.715 59.975 58.200 0.100 0.000 1.086 425 S CB 0.017 63.273 63.200 0.094 0.000 0.995 425 S HN 0.258 nan 8.310 nan 0.000 0.428 426 R N 1.146 121.756 120.500 0.183 0.000 2.081 426 R HA -0.049 4.290 4.340 -0.001 0.000 0.235 426 R C 2.212 178.708 176.300 0.326 0.000 1.131 426 R CA 1.691 57.940 56.100 0.248 0.000 0.960 426 R CB -0.665 29.798 30.300 0.272 0.000 0.856 426 R HN 0.758 nan 8.270 nan 0.000 0.436 427 D N -0.289 120.368 120.400 0.428 0.000 2.264 427 D HA -0.155 4.484 4.640 -0.001 0.000 0.208 427 D C 0.220 176.758 176.300 0.397 0.000 0.966 427 D CA 1.083 55.372 54.000 0.482 0.000 0.864 427 D CB 0.032 41.238 40.800 0.677 0.000 0.933 427 D HN 0.392 nan 8.370 nan 0.000 0.499 428 H N -0.368 118.812 119.070 0.184 0.000 2.369 428 H HA 0.314 4.869 4.556 -0.001 0.000 0.228 428 H C 0.865 176.274 175.328 0.135 0.000 1.548 428 H CA -0.284 55.848 56.048 0.141 0.000 1.275 428 H CB 0.589 30.429 29.762 0.129 0.000 1.549 428 H HN 0.210 nan 8.280 nan 0.000 0.542 429 G N 2.806 111.730 108.800 0.206 0.000 2.198 429 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.275 429 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.275 429 G C 0.569 175.569 174.900 0.167 0.000 0.669 429 G CA 0.273 45.467 45.100 0.157 0.000 0.765 429 G HN 0.472 nan 8.290 nan 0.000 0.488 430 L N 0.190 121.548 121.223 0.224 0.000 2.426 430 L HA 0.286 4.626 4.340 -0.001 0.000 0.271 430 L C -1.408 175.608 176.870 0.243 0.000 1.169 430 L CA -1.929 53.082 54.840 0.285 0.000 0.836 430 L CB 0.414 42.677 42.059 0.340 0.000 1.112 430 L HN 0.020 nan 8.230 nan 0.000 0.465 431 P HA 0.222 nan 4.420 nan 0.000 0.277 431 P C -0.047 177.346 177.300 0.155 0.000 1.271 431 P CA -0.411 62.699 63.100 0.017 0.000 0.795 431 P CB 0.542 32.081 31.700 -0.268 0.000 1.101 432 G N -1.065 107.780 108.800 0.075 0.000 2.525 432 G HA2 0.141 4.100 3.960 -0.001 0.000 0.287 432 G HA3 0.141 4.100 3.960 -0.001 0.000 0.287 432 G C -0.953 174.125 174.900 0.297 0.000 1.350 432 G CA -0.292 44.914 45.100 0.176 0.000 1.039 432 G HN 0.447 nan 8.290 nan 0.000 0.513 433 Y N 0.773 121.138 120.300 0.108 0.000 2.937 433 Y HA 0.177 4.727 4.550 -0.001 0.000 0.364 433 Y C 0.857 176.807 175.900 0.084 0.000 1.164 433 Y CA -0.117 58.060 58.100 0.128 0.000 2.025 433 Y CB -0.967 37.513 38.460 0.032 0.000 2.155 433 Y HN 0.605 nan 8.280 nan 0.000 0.409 434 N N -0.228 118.484 118.700 0.020 0.000 2.247 434 N HA 0.050 4.790 4.740 -0.001 0.000 0.317 434 N C 1.510 176.992 175.510 -0.045 0.000 0.873 434 N CA 0.516 53.481 53.050 -0.141 0.000 0.629 434 N CB -0.253 38.106 38.487 -0.213 0.000 2.199 434 N HN 0.257 nan 8.380 nan 0.000 0.945 435 A N 0.593 123.342 122.820 -0.119 0.000 1.933 435 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 435 A C 1.499 178.981 177.584 -0.170 0.000 1.175 435 A CA 1.202 53.084 52.037 -0.258 0.000 0.628 435 A CB -0.961 17.721 19.000 -0.531 0.000 0.814 435 A HN 0.484 nan 8.150 nan 0.000 0.444 436 W N -0.571 120.823 121.300 0.156 0.000 2.354 436 W HA -0.125 4.534 4.660 -0.001 0.000 0.315 436 W C 2.695 179.370 176.519 0.259 0.000 1.206 436 W CA 0.672 58.164 57.345 0.244 0.000 1.290 436 W CB -0.182 29.399 29.460 0.202 0.000 1.152 436 W HN 0.146 nan 8.180 nan 0.000 0.489 437 R N 0.565 121.311 120.500 0.410 0.000 2.097 437 R HA -0.204 4.135 4.340 -0.001 0.000 0.236 437 R C 2.014 178.412 176.300 0.163 0.000 1.135 437 R CA 1.983 58.231 56.100 0.246 0.000 0.934 437 R CB -1.161 29.186 30.300 0.077 0.000 0.846 437 R HN 0.209 nan 8.270 nan 0.000 0.431 438 R N -0.049 120.515 120.500 0.106 0.000 2.096 438 R HA -0.178 4.162 4.340 -0.001 0.000 0.240 438 R C 2.177 178.532 176.300 0.092 0.000 1.139 438 R CA 1.839 57.977 56.100 0.064 0.000 0.952 438 R CB -0.714 29.602 30.300 0.027 0.000 0.854 438 R HN 0.191 nan 8.270 nan 0.000 0.436 439 F N 0.618 120.596 119.950 0.045 0.000 2.411 439 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 439 F C 0.446 176.337 175.800 0.152 0.000 1.077 439 F CA 0.575 58.632 58.000 0.094 0.000 1.439 439 F CB -0.055 39.051 39.000 0.176 0.000 1.085 439 F HN 0.253 nan 8.300 nan 0.000 0.564 440 c N -0.699 117.874 118.600 -0.045 0.000 3.359 440 c HA 0.673 5.243 4.570 -0.001 0.000 0.194 440 c C 1.391 175.475 174.090 -0.011 0.000 1.659 440 c CA -0.765 55.506 56.329 -0.096 0.000 1.338 440 c CB -0.555 41.910 42.510 -0.075 0.000 2.109 440 c HN 0.683 nan 8.230 nan 0.000 0.518 441 G N 1.608 110.387 108.800 -0.034 0.000 2.471 441 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.301 441 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.301 441 G C -0.330 174.582 174.900 0.020 0.000 0.902 441 G CA 0.605 45.700 45.100 -0.008 0.000 1.002 441 G HN 0.666 nan 8.290 nan 0.000 0.509 442 L N 0.192 121.439 121.223 0.039 0.000 2.334 442 L HA 0.585 4.924 4.340 -0.001 0.000 0.276 442 L C -1.879 175.012 176.870 0.035 0.000 1.014 442 L CA -2.657 52.215 54.840 0.054 0.000 0.815 442 L CB 1.819 43.935 42.059 0.096 0.000 1.268 442 L HN -0.150 nan 8.230 nan 0.000 0.428 443 P HA 0.188 nan 4.420 nan 0.000 0.269 443 P C -1.358 175.930 177.300 -0.020 0.000 1.215 443 P CA -0.374 62.728 63.100 0.003 0.000 0.780 443 P CB 0.372 32.076 31.700 0.006 0.000 0.898 444 Q N 2.798 122.569 119.800 -0.049 0.000 2.413 444 Q HA 0.316 4.655 4.340 -0.001 0.000 0.258 444 Q C -2.155 173.779 176.000 -0.109 0.000 1.037 444 Q CA -1.932 53.805 55.803 -0.110 0.000 0.764 444 Q CB 0.614 29.292 28.738 -0.100 0.000 1.217 444 Q HN 0.350 nan 8.270 nan 0.000 0.490 445 P HA -0.043 nan 4.420 nan 0.000 0.261 445 P C 0.008 177.261 177.300 -0.079 0.000 1.183 445 P CA 0.484 63.537 63.100 -0.078 0.000 0.761 445 P CB 0.935 32.597 31.700 -0.064 0.000 0.785 446 E N 1.611 121.785 120.200 -0.044 0.000 2.431 446 E HA 0.133 4.483 4.350 -0.001 0.000 0.200 446 E C 0.636 177.228 176.600 -0.013 0.000 0.995 446 E CA 0.651 57.031 56.400 -0.032 0.000 0.915 446 E CB 0.135 29.821 29.700 -0.024 0.000 0.930 446 E HN 0.558 nan 8.360 nan 0.000 0.496 447 T N -1.450 113.101 114.554 -0.006 0.000 2.887 447 T HA 0.375 4.724 4.350 -0.001 0.000 0.292 447 T C 0.988 175.697 174.700 0.015 0.000 1.087 447 T CA 0.108 62.212 62.100 0.007 0.000 1.009 447 T CB 1.553 70.424 68.868 0.005 0.000 1.203 447 T HN 0.038 nan 8.240 nan 0.000 0.518 448 V N 1.292 121.219 119.914 0.022 0.000 2.594 448 V HA -0.019 4.100 4.120 -0.001 0.000 0.253 448 V C 2.043 178.152 176.094 0.026 0.000 1.069 448 V CA 2.789 65.106 62.300 0.030 0.000 1.082 448 V CB -0.783 31.060 31.823 0.032 0.000 0.680 448 V HN 1.036 nan 8.190 nan 0.000 0.469 449 G N -1.996 106.816 108.800 0.019 0.000 2.408 449 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.213 449 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.213 449 G C 1.393 176.303 174.900 0.017 0.000 1.177 449 G CA 0.640 45.750 45.100 0.017 0.000 0.802 449 G HN 0.503 nan 8.290 nan 0.000 0.533 450 Q N -0.775 119.031 119.800 0.011 0.000 2.152 450 Q HA -0.112 4.227 4.340 -0.001 0.000 0.206 450 Q C 2.403 178.412 176.000 0.015 0.000 0.985 450 Q CA 1.094 56.902 55.803 0.007 0.000 0.863 450 Q CB -0.177 28.558 28.738 -0.005 0.000 0.904 450 Q HN 0.384 nan 8.270 nan 0.000 0.422 451 L N -0.433 120.803 121.223 0.022 0.000 1.982 451 L HA -0.001 4.338 4.340 -0.001 0.000 0.206 451 L C 2.220 179.119 176.870 0.048 0.000 1.078 451 L CA 2.283 57.149 54.840 0.043 0.000 0.749 451 L CB -1.370 40.720 42.059 0.052 0.000 0.894 451 L HN 0.245 nan 8.230 nan 0.000 0.436 452 G N -1.696 107.128 108.800 0.041 0.000 2.661 452 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.224 452 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.224 452 G C 1.504 176.423 174.900 0.032 0.000 1.114 452 G CA 1.737 46.858 45.100 0.035 0.000 0.751 452 G HN 0.452 nan 8.290 nan 0.000 0.609 453 T N -0.115 114.456 114.554 0.029 0.000 2.698 453 T HA -0.043 4.306 4.350 -0.001 0.000 0.260 453 T C 2.518 177.237 174.700 0.032 0.000 1.044 453 T CA 1.131 63.246 62.100 0.025 0.000 1.149 453 T CB -0.366 68.514 68.868 0.020 0.000 0.864 453 T HN 0.041 nan 8.240 nan 0.000 0.419 454 V N 1.732 121.671 119.914 0.040 0.000 2.231 454 V HA -0.149 3.970 4.120 -0.001 0.000 0.248 454 V C 2.532 178.662 176.094 0.061 0.000 1.054 454 V CA 1.674 64.007 62.300 0.056 0.000 1.015 454 V CB -0.578 31.293 31.823 0.080 0.000 0.638 454 V HN 0.453 nan 8.190 nan 0.000 0.444 455 L N -1.001 120.263 121.223 0.069 0.000 2.265 455 L HA -0.086 4.254 4.340 -0.001 0.000 0.215 455 L C 1.039 177.926 176.870 0.028 0.000 1.117 455 L CA 0.613 55.484 54.840 0.052 0.000 0.782 455 L CB -0.470 41.620 42.059 0.052 0.000 0.914 455 L HN 0.402 nan 8.230 nan 0.000 0.441 456 R N 1.105 121.623 120.500 0.029 0.000 2.974 456 R HA -0.201 4.138 4.340 -0.001 0.000 0.258 456 R C -0.480 175.830 176.300 0.017 0.000 0.892 456 R CA 0.460 56.572 56.100 0.020 0.000 0.664 456 R CB -1.901 28.408 30.300 0.014 0.000 1.478 456 R HN 0.470 nan 8.270 nan 0.000 0.498 457 N N 0.814 119.528 118.700 0.023 0.000 2.697 457 N HA 0.042 4.782 4.740 -0.001 0.000 0.271 457 N C 0.119 175.645 175.510 0.028 0.000 1.149 457 N CA -0.457 52.607 53.050 0.024 0.000 0.939 457 N CB 0.794 39.294 38.487 0.021 0.000 1.534 457 N HN 0.139 nan 8.380 nan 0.000 0.556 458 L N 2.414 123.651 121.223 0.024 0.000 2.554 458 L HA 0.250 4.589 4.340 -0.001 0.000 0.226 458 L C 1.035 177.920 176.870 0.026 0.000 1.137 458 L CA 1.466 56.321 54.840 0.025 0.000 0.863 458 L CB -0.711 41.361 42.059 0.022 0.000 0.985 458 L HN 0.549 nan 8.230 nan 0.000 0.451 459 K N -0.623 119.792 120.400 0.026 0.000 2.157 459 K HA 0.044 4.363 4.320 -0.001 0.000 0.207 459 K C 1.934 178.555 176.600 0.034 0.000 1.030 459 K CA 0.714 57.017 56.287 0.027 0.000 0.965 459 K CB -0.062 32.452 32.500 0.023 0.000 0.877 459 K HN 0.232 nan 8.250 nan 0.000 0.460 460 L N 1.924 123.168 121.223 0.034 0.000 1.971 460 L HA -0.173 4.167 4.340 -0.001 0.000 0.215 460 L C 2.193 179.099 176.870 0.059 0.000 1.072 460 L CA 2.297 57.163 54.840 0.043 0.000 0.758 460 L CB -0.931 41.148 42.059 0.033 0.000 0.889 460 L HN 0.232 nan 8.230 nan 0.000 0.433 461 A N 0.204 123.059 122.820 0.059 0.000 1.892 461 A HA -0.324 3.996 4.320 -0.001 0.000 0.218 461 A C 2.467 180.093 177.584 0.071 0.000 1.188 461 A CA 2.437 54.518 52.037 0.072 0.000 0.631 461 A CB -0.845 18.192 19.000 0.061 0.000 0.822 461 A HN 0.678 nan 8.150 nan 0.000 0.447 462 R N -0.525 120.007 120.500 0.053 0.000 2.091 462 R HA -0.165 4.174 4.340 -0.001 0.000 0.238 462 R C 2.173 178.504 176.300 0.052 0.000 1.136 462 R CA 2.462 58.590 56.100 0.047 0.000 0.959 462 R CB -0.612 29.709 30.300 0.035 0.000 0.856 462 R HN 0.403 nan 8.270 nan 0.000 0.437 463 K N 1.031 121.463 120.400 0.054 0.000 2.062 463 K HA 0.016 4.336 4.320 -0.001 0.000 0.205 463 K C 2.149 178.796 176.600 0.079 0.000 1.051 463 K CA 1.261 57.580 56.287 0.053 0.000 0.941 463 K CB -0.745 31.783 32.500 0.047 0.000 0.719 463 K HN 0.094 nan 8.250 nan 0.000 0.440 464 L N 0.102 121.395 121.223 0.116 0.000 2.127 464 L HA 0.061 4.400 4.340 -0.001 0.000 0.211 464 L C 2.574 179.573 176.870 0.214 0.000 1.089 464 L CA 1.860 56.821 54.840 0.202 0.000 0.757 464 L CB -0.721 41.464 42.059 0.210 0.000 0.899 464 L HN 0.484 nan 8.230 nan 0.000 0.434 465 M N -0.555 119.128 119.600 0.139 0.000 2.419 465 M HA -0.091 4.388 4.480 -0.001 0.000 0.264 465 M C 2.227 178.575 176.300 0.080 0.000 1.082 465 M CA 1.443 56.817 55.300 0.123 0.000 1.119 465 M CB -0.131 32.521 32.600 0.086 0.000 1.398 465 M HN 0.333 nan 8.290 nan 0.000 0.453 466 E N -0.272 119.959 120.200 0.052 0.000 2.106 466 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 466 E C 1.794 178.381 176.600 -0.022 0.000 0.984 466 E CA 1.352 57.762 56.400 0.016 0.000 0.806 466 E CB -0.631 29.075 29.700 0.010 0.000 0.750 466 E HN 0.557 nan 8.360 nan 0.000 0.458 467 Q N -0.885 118.881 119.800 -0.056 0.000 1.969 467 Q HA 0.085 4.424 4.340 -0.001 0.000 0.198 467 Q C 0.301 176.120 176.000 -0.301 0.000 0.978 467 Q CA 0.764 56.429 55.803 -0.231 0.000 0.830 467 Q CB -0.440 28.061 28.738 -0.395 0.000 0.896 467 Q HN 0.639 nan 8.270 nan 0.000 0.431 468 Y N -0.556 119.771 120.300 0.046 0.000 2.307 468 Y HA 0.378 4.927 4.550 -0.001 0.000 0.324 468 Y C 1.601 177.524 175.900 0.039 0.000 1.238 468 Y CA 0.077 58.207 58.100 0.049 0.000 1.280 468 Y CB 0.812 39.312 38.460 0.067 0.000 1.248 468 Y HN 0.115 nan 8.280 nan 0.000 0.508 469 G N 0.044 108.955 108.800 0.184 0.000 2.395 469 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.214 469 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.214 469 G C 0.277 175.238 174.900 0.102 0.000 1.177 469 G CA 1.035 46.200 45.100 0.108 0.000 0.794 469 G HN 0.557 nan 8.290 nan 0.000 0.532 470 T N -1.062 113.556 114.554 0.107 0.000 2.900 470 T HA 0.533 4.882 4.350 -0.001 0.000 0.295 470 T C -2.068 172.662 174.700 0.051 0.000 1.044 470 T CA -1.598 60.540 62.100 0.063 0.000 0.995 470 T CB 2.272 71.160 68.868 0.033 0.000 1.072 470 T HN -0.116 nan 8.240 nan 0.000 0.473 471 P HA -0.064 nan 4.420 nan 0.000 0.219 471 P C 1.459 178.705 177.300 -0.091 0.000 1.146 471 P CA 0.773 63.845 63.100 -0.047 0.000 0.808 471 P CB 0.037 31.667 31.700 -0.117 0.000 0.779 472 N N -0.412 118.245 118.700 -0.072 0.000 2.314 472 N HA -0.184 4.556 4.740 -0.001 0.000 0.191 472 N C 0.903 176.393 175.510 -0.035 0.000 1.007 472 N CA 1.185 54.197 53.050 -0.064 0.000 0.883 472 N CB -0.588 37.880 38.487 -0.033 0.000 0.969 472 N HN 0.185 nan 8.380 nan 0.000 0.441 473 N N -0.427 118.262 118.700 -0.019 0.000 2.234 473 N HA 0.289 5.028 4.740 -0.001 0.000 0.227 473 N C -0.616 174.777 175.510 -0.195 0.000 1.151 473 N CA -0.150 52.898 53.050 -0.004 0.000 0.865 473 N CB 0.718 39.272 38.487 0.112 0.000 1.066 473 N HN 0.095 nan 8.380 nan 0.000 0.515 474 I N 0.844 121.223 120.570 -0.319 0.000 2.474 474 I HA 0.031 4.200 4.170 -0.001 0.000 0.287 474 I C 0.046 175.969 176.117 -0.323 0.000 1.048 474 I CA -0.438 60.398 61.300 -0.772 0.000 1.383 474 I CB 0.643 38.442 38.000 -0.334 0.000 1.412 474 I HN 0.030 nan 8.210 nan 0.000 0.531 475 D N 6.789 126.995 120.400 -0.324 0.000 2.455 475 D HA 0.042 4.682 4.640 -0.001 0.000 0.241 475 D C 1.488 177.834 176.300 0.078 0.000 1.138 475 D CA 0.148 54.166 54.000 0.029 0.000 0.877 475 D CB 1.033 41.923 40.800 0.150 0.000 1.187 475 D HN 0.380 nan 8.370 nan 0.000 0.451 476 I N -0.164 120.493 120.570 0.144 0.000 2.113 476 I HA -0.307 3.862 4.170 -0.001 0.000 0.242 476 I C 2.389 178.519 176.117 0.022 0.000 1.057 476 I CA 1.261 62.609 61.300 0.080 0.000 1.314 476 I CB -0.537 37.459 38.000 -0.006 0.000 1.022 476 I HN 0.525 nan 8.210 nan 0.000 0.408 477 W N 1.457 122.708 121.300 -0.082 0.000 2.308 477 W HA -0.311 4.349 4.660 -0.001 0.000 0.301 477 W C 2.565 179.032 176.519 -0.087 0.000 1.220 477 W CA 2.380 59.670 57.345 -0.092 0.000 1.240 477 W CB -0.175 29.237 29.460 -0.080 0.000 1.142 477 W HN 0.137 nan 8.180 nan 0.000 0.521 478 M N 0.276 119.927 119.600 0.085 0.000 2.123 478 M HA 0.097 4.576 4.480 -0.001 0.000 0.263 478 M C 2.259 178.407 176.300 -0.254 0.000 1.069 478 M CA 2.379 57.644 55.300 -0.057 0.000 1.133 478 M CB -1.170 31.525 32.600 0.159 0.000 1.356 478 M HN 0.013 nan 8.290 nan 0.000 0.415 479 G N -1.287 107.331 108.800 -0.303 0.000 2.408 479 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.217 479 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.217 479 G C 1.482 175.973 174.900 -0.682 0.000 1.150 479 G CA 0.695 45.411 45.100 -0.641 0.000 0.776 479 G HN 0.613 nan 8.290 nan 0.000 0.542 480 G N 0.694 109.179 108.800 -0.525 0.000 2.404 480 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.215 480 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.215 480 G C 1.826 176.466 174.900 -0.435 0.000 1.174 480 G CA 1.791 46.626 45.100 -0.441 0.000 0.780 480 G HN 0.837 nan 8.290 nan 0.000 0.537 481 V N -0.444 119.109 119.914 -0.602 0.000 3.573 481 V HA 0.248 4.367 4.120 -0.001 0.000 0.270 481 V C 1.784 177.655 176.094 -0.372 0.000 1.221 481 V CA 1.677 63.641 62.300 -0.559 0.000 1.163 481 V CB 0.159 31.390 31.823 -0.986 0.000 0.847 481 V HN 0.424 nan 8.190 nan 0.000 0.468 482 S N -1.133 114.368 115.700 -0.332 0.000 2.650 482 S HA 0.327 4.797 4.470 -0.001 0.000 0.240 482 S C 0.367 174.875 174.600 -0.152 0.000 1.007 482 S CA -0.545 57.532 58.200 -0.205 0.000 0.984 482 S CB -0.179 62.927 63.200 -0.157 0.000 0.910 482 S HN 0.719 nan 8.310 nan 0.000 0.509 483 E N 2.775 122.868 120.200 -0.179 0.000 2.318 483 E HA 0.366 4.716 4.350 -0.001 0.000 0.265 483 E C -2.606 173.945 176.600 -0.081 0.000 1.069 483 E CA -2.511 53.821 56.400 -0.113 0.000 0.893 483 E CB 0.557 30.181 29.700 -0.127 0.000 1.076 483 E HN 0.308 nan 8.360 nan 0.000 0.414 484 P HA 0.034 nan 4.420 nan 0.000 0.271 484 P C -0.535 176.739 177.300 -0.043 0.000 1.216 484 P CA -0.426 62.653 63.100 -0.036 0.000 0.776 484 P CB 0.409 32.100 31.700 -0.016 0.000 0.881 485 L N 2.965 124.164 121.223 -0.041 0.000 2.525 485 L HA 0.031 4.370 4.340 -0.001 0.000 0.278 485 L C 1.142 177.990 176.870 -0.036 0.000 1.218 485 L CA 0.724 55.538 54.840 -0.044 0.000 0.878 485 L CB -0.801 41.238 42.059 -0.032 0.000 1.127 485 L HN 0.317 nan 8.230 nan 0.000 0.492 486 K N 1.955 122.326 120.400 -0.048 0.000 2.414 486 K HA 0.051 4.370 4.320 -0.001 0.000 0.272 486 K C -0.172 176.412 176.600 -0.027 0.000 0.993 486 K CA 0.020 56.286 56.287 -0.036 0.000 0.964 486 K CB 0.398 32.869 32.500 -0.048 0.000 0.925 486 K HN 0.372 nan 8.250 nan 0.000 0.487 487 R N 2.148 122.638 120.500 -0.016 0.000 2.543 487 R HA -0.010 4.330 4.340 -0.001 0.000 0.348 487 R C 0.696 176.989 176.300 -0.013 0.000 0.981 487 R CA 0.368 56.462 56.100 -0.010 0.000 1.019 487 R CB -1.056 29.241 30.300 -0.005 0.000 0.944 487 R HN 0.643 nan 8.270 nan 0.000 0.425 488 K N -0.795 119.597 120.400 -0.013 0.000 3.512 488 K HA -0.147 4.173 4.320 -0.001 0.000 0.309 488 K C 0.762 177.347 176.600 -0.025 0.000 1.350 488 K CA 1.172 57.451 56.287 -0.013 0.000 0.960 488 K CB -1.638 30.857 32.500 -0.008 0.000 1.290 488 K HN 1.169 nan 8.250 nan 0.000 0.454 489 G N -0.794 107.984 108.800 -0.036 0.000 2.630 489 G HA2 0.609 4.568 3.960 -0.001 0.000 0.223 489 G HA3 0.609 4.568 3.960 -0.001 0.000 0.223 489 G C 0.220 175.086 174.900 -0.056 0.000 1.434 489 G CA 0.169 45.231 45.100 -0.062 0.000 1.057 489 G HN 0.240 nan 8.290 nan 0.000 0.570 490 R N -1.624 118.824 120.500 -0.086 0.000 2.486 490 R HA 0.390 4.730 4.340 -0.001 0.000 0.388 490 R C -1.033 175.197 176.300 -0.116 0.000 0.810 490 R CA -0.178 55.888 56.100 -0.056 0.000 1.057 490 R CB 0.122 30.413 30.300 -0.015 0.000 1.670 490 R HN 0.288 nan 8.270 nan 0.000 0.551 491 V N -1.264 118.555 119.914 -0.159 0.000 3.178 491 V HA 0.801 4.920 4.120 -0.001 0.000 0.302 491 V C -0.293 175.711 176.094 -0.150 0.000 1.262 491 V CA -0.686 61.485 62.300 -0.215 0.000 1.030 491 V CB 2.465 34.071 31.823 -0.362 0.000 1.074 491 V HN 0.298 nan 8.190 nan 0.000 0.438 492 G N 2.223 110.933 108.800 -0.151 0.000 2.521 492 G HA2 0.572 4.532 3.960 -0.001 0.000 0.323 492 G HA3 0.572 4.532 3.960 -0.001 0.000 0.323 492 G C -2.149 172.693 174.900 -0.097 0.000 1.211 492 G CA -1.151 43.885 45.100 -0.107 0.000 0.979 492 G HN 0.528 nan 8.290 nan 0.000 0.490 493 P HA -0.134 nan 4.420 nan 0.000 0.216 493 P C 2.060 179.335 177.300 -0.043 0.000 1.154 493 P CA 0.433 63.521 63.100 -0.020 0.000 0.865 493 P CB 0.185 31.904 31.700 0.031 0.000 0.789 494 L N -1.137 120.067 121.223 -0.032 0.000 1.961 494 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 494 L C 2.227 179.038 176.870 -0.099 0.000 1.072 494 L CA 1.958 56.790 54.840 -0.014 0.000 0.749 494 L CB -1.628 40.416 42.059 -0.025 0.000 0.889 494 L HN -0.142 nan 8.230 nan 0.000 0.432 495 L N -0.256 120.875 121.223 -0.153 0.000 2.012 495 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 495 L C 2.681 179.425 176.870 -0.208 0.000 1.073 495 L CA 2.051 56.782 54.840 -0.182 0.000 0.748 495 L CB -1.815 40.115 42.059 -0.216 0.000 0.891 495 L HN 0.403 nan 8.230 nan 0.000 0.431 496 A N -0.886 121.804 122.820 -0.217 0.000 1.859 496 A HA -0.360 3.959 4.320 -0.001 0.000 0.218 496 A C 2.662 179.995 177.584 -0.418 0.000 1.209 496 A CA 2.453 54.344 52.037 -0.243 0.000 0.639 496 A CB -1.569 17.340 19.000 -0.151 0.000 0.835 496 A HN 0.649 nan 8.150 nan 0.000 0.450 497 c N -0.571 117.742 118.600 -0.478 0.000 2.418 497 c HA -0.100 4.470 4.570 -0.001 0.000 0.280 497 c C 2.453 176.187 174.090 -0.592 0.000 1.223 497 c CA 1.313 57.084 56.329 -0.929 0.000 1.736 497 c CB -1.506 40.785 42.510 -0.365 0.000 2.056 497 c HN 0.602 nan 8.230 nan 0.000 0.459 498 I N 0.683 121.110 120.570 -0.239 0.000 2.145 498 I HA -0.244 3.926 4.170 -0.001 0.000 0.244 498 I C 2.509 178.580 176.117 -0.077 0.000 1.075 498 I CA 2.330 63.571 61.300 -0.097 0.000 1.332 498 I CB -0.245 37.700 38.000 -0.092 0.000 1.033 498 I HN 0.464 nan 8.210 nan 0.000 0.410 499 I N -0.190 120.325 120.570 -0.092 0.000 2.394 499 I HA -0.178 3.991 4.170 -0.001 0.000 0.251 499 I C 2.341 178.460 176.117 0.004 0.000 1.136 499 I CA 1.391 62.706 61.300 0.026 0.000 1.425 499 I CB -0.552 37.413 38.000 -0.058 0.000 1.079 499 I HN 0.284 nan 8.210 nan 0.000 0.425 500 G N -0.387 108.337 108.800 -0.126 0.000 2.603 500 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.214 500 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.214 500 G C 1.497 176.425 174.900 0.047 0.000 1.140 500 G CA 0.529 45.622 45.100 -0.013 0.000 0.800 500 G HN 0.267 nan 8.290 nan 0.000 0.533 501 T N 0.107 114.618 114.554 -0.071 0.000 3.072 501 T HA -0.020 4.330 4.350 -0.001 0.000 0.266 501 T C 2.010 176.702 174.700 -0.013 0.000 1.127 501 T CA 1.296 63.420 62.100 0.040 0.000 1.107 501 T CB 0.170 69.060 68.868 0.035 0.000 0.910 501 T HN 0.386 nan 8.240 nan 0.000 0.513 502 Q N -0.602 119.116 119.800 -0.137 0.000 2.350 502 Q HA 0.323 4.662 4.340 -0.001 0.000 0.225 502 Q C 0.946 176.697 176.000 -0.415 0.000 0.878 502 Q CA 0.347 55.931 55.803 -0.366 0.000 0.935 502 Q CB -0.061 28.169 28.738 -0.846 0.000 1.099 502 Q HN 0.419 nan 8.270 nan 0.000 0.527 503 F N -0.359 119.467 119.950 -0.206 0.000 2.776 503 F HA 0.272 4.798 4.527 -0.001 0.000 0.300 503 F C 1.947 177.819 175.800 0.121 0.000 1.116 503 F CA 0.176 58.111 58.000 -0.107 0.000 1.375 503 F CB 0.373 39.215 39.000 -0.262 0.000 1.109 503 F HN 0.060 nan 8.300 nan 0.000 0.585 504 R N 0.605 121.219 120.500 0.191 0.000 2.080 504 R HA -0.030 4.310 4.340 -0.001 0.000 0.222 504 R C 1.912 178.249 176.300 0.062 0.000 1.107 504 R CA 1.578 57.770 56.100 0.154 0.000 0.980 504 R CB -0.172 30.205 30.300 0.128 0.000 0.879 504 R HN -0.034 nan 8.270 nan 0.000 0.439 505 K N 0.054 120.470 120.400 0.026 0.000 2.148 505 K HA 0.025 4.344 4.320 -0.001 0.000 0.204 505 K C 1.689 178.302 176.600 0.020 0.000 1.050 505 K CA 0.723 57.010 56.287 -0.000 0.000 0.942 505 K CB -0.076 32.402 32.500 -0.037 0.000 0.724 505 K HN 0.104 nan 8.250 nan 0.000 0.446 506 L N 0.898 122.139 121.223 0.030 0.000 2.275 506 L HA -0.111 4.228 4.340 -0.001 0.000 0.215 506 L C 2.215 179.167 176.870 0.137 0.000 1.119 506 L CA 1.516 56.424 54.840 0.112 0.000 0.790 506 L CB -0.483 41.627 42.059 0.086 0.000 0.919 506 L HN 0.252 nan 8.230 nan 0.000 0.443 507 R N -0.134 120.321 120.500 -0.076 0.000 2.062 507 R HA -0.061 4.278 4.340 -0.001 0.000 0.218 507 R C 1.482 177.579 176.300 -0.338 0.000 1.161 507 R CA 0.992 56.705 56.100 -0.644 0.000 0.994 507 R CB 0.069 29.763 30.300 -1.009 0.000 0.888 507 R HN 0.263 nan 8.270 nan 0.000 0.442 508 D N -0.162 120.169 120.400 -0.114 0.000 2.312 508 D HA -0.044 4.596 4.640 -0.001 0.000 0.211 508 D C 1.630 177.939 176.300 0.014 0.000 0.964 508 D CA 1.042 55.048 54.000 0.009 0.000 0.877 508 D CB -0.280 40.498 40.800 -0.036 0.000 0.924 508 D HN 0.468 nan 8.370 nan 0.000 0.515 509 G N 0.654 109.494 108.800 0.066 0.000 2.404 509 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.215 509 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.215 509 G C 0.721 175.837 174.900 0.359 0.000 1.174 509 G CA 0.085 45.265 45.100 0.133 0.000 0.780 509 G HN 0.111 nan 8.290 nan 0.000 0.537 510 D N 0.256 120.945 120.400 0.481 0.000 2.389 510 D HA 0.057 4.696 4.640 -0.001 0.000 0.263 510 D C 1.564 178.145 176.300 0.467 0.000 1.255 510 D CA -0.132 54.166 54.000 0.495 0.000 0.914 510 D CB 0.694 41.802 40.800 0.513 0.000 1.116 510 D HN 0.171 nan 8.370 nan 0.000 0.502 511 R N 2.703 123.363 120.500 0.267 0.000 2.241 511 R HA -0.088 4.252 4.340 -0.001 0.000 0.224 511 R C 0.612 176.708 176.300 -0.340 0.000 1.101 511 R CA 0.969 56.895 56.100 -0.290 0.000 0.995 511 R CB 0.040 30.121 30.300 -0.365 0.000 0.870 511 R HN 0.315 nan 8.270 nan 0.000 0.463 512 F N -0.374 119.539 119.950 -0.063 0.000 2.923 512 F HA 0.199 4.726 4.527 -0.001 0.000 0.314 512 F C -0.128 175.754 175.800 0.136 0.000 1.196 512 F CA -1.003 56.978 58.000 -0.032 0.000 1.320 512 F CB 0.039 38.981 39.000 -0.098 0.000 0.953 512 F HN 0.079 nan 8.300 nan 0.000 0.505 513 W N 2.714 124.079 121.300 0.107 0.000 2.216 513 W HA -0.025 4.634 4.660 -0.001 0.000 0.326 513 W C 1.257 177.859 176.519 0.138 0.000 1.319 513 W CA -0.754 56.663 57.345 0.120 0.000 1.213 513 W CB 0.602 30.027 29.460 -0.058 0.000 1.171 513 W HN 0.546 nan 8.180 nan 0.000 0.557 514 W N 4.270 125.227 121.300 -0.572 0.000 2.313 514 W HA -0.255 4.405 4.660 -0.001 0.000 0.293 514 W C 0.557 176.993 176.519 -0.138 0.000 1.216 514 W CA 1.633 58.845 57.345 -0.222 0.000 1.223 514 W CB -0.989 28.327 29.460 -0.240 0.000 1.138 514 W HN 0.468 nan 8.180 nan 0.000 0.535 515 E N 0.668 120.149 120.200 -1.198 0.000 2.476 515 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 515 E C 0.326 176.921 176.600 -0.009 0.000 1.064 515 E CA -0.272 55.700 56.400 -0.713 0.000 0.866 515 E CB -0.286 28.958 29.700 -0.760 0.000 0.952 515 E HN 0.030 nan 8.360 nan 0.000 0.492 516 N N 0.995 119.761 118.700 0.110 0.000 2.530 516 N HA -0.026 4.714 4.740 -0.001 0.000 0.273 516 N C 1.125 176.654 175.510 0.031 0.000 1.173 516 N CA 0.810 53.973 53.050 0.189 0.000 0.967 516 N CB 0.936 39.486 38.487 0.106 0.000 1.109 516 N HN 0.134 nan 8.380 nan 0.000 0.453 517 E N 2.260 122.471 120.200 0.018 0.000 2.068 517 E HA -0.198 4.152 4.350 -0.001 0.000 0.207 517 E C 1.591 178.150 176.600 -0.067 0.000 1.032 517 E CA 2.062 58.445 56.400 -0.028 0.000 0.839 517 E CB -1.529 28.148 29.700 -0.038 0.000 0.758 517 E HN 0.755 nan 8.360 nan 0.000 0.457 518 G N -0.233 108.492 108.800 -0.125 0.000 3.026 518 G HA2 0.212 4.172 3.960 -0.001 0.000 0.208 518 G HA3 0.212 4.172 3.960 -0.001 0.000 0.208 518 G C 1.595 176.394 174.900 -0.168 0.000 1.169 518 G CA 1.324 46.335 45.100 -0.149 0.000 0.788 518 G HN 1.006 nan 8.290 nan 0.000 0.533 519 V N -2.870 116.954 119.914 -0.150 0.000 2.521 519 V HA 0.518 4.638 4.120 -0.001 0.000 0.239 519 V C 0.310 176.300 176.094 -0.173 0.000 1.053 519 V CA 0.365 62.539 62.300 -0.210 0.000 1.073 519 V CB -0.111 31.557 31.823 -0.258 0.000 0.746 519 V HN -0.045 nan 8.190 nan 0.000 0.476 520 F N 2.363 122.295 119.950 -0.030 0.000 2.493 520 F HA 0.725 5.251 4.527 -0.001 0.000 0.329 520 F C 0.690 176.433 175.800 -0.095 0.000 1.126 520 F CA -0.977 56.997 58.000 -0.043 0.000 0.937 520 F CB 1.780 40.800 39.000 0.033 0.000 1.146 520 F HN 0.361 nan 8.300 nan 0.000 0.442 521 S N 2.081 117.822 115.700 0.068 0.000 2.589 521 S HA 0.329 4.798 4.470 -0.001 0.000 0.265 521 S C 1.611 176.181 174.600 -0.050 0.000 1.342 521 S CA -0.101 58.087 58.200 -0.021 0.000 1.005 521 S CB 0.567 63.729 63.200 -0.065 0.000 0.909 521 S HN 0.849 nan 8.310 nan 0.000 0.555 522 M N 0.286 119.856 119.600 -0.050 0.000 2.192 522 M HA -0.198 4.281 4.480 -0.001 0.000 0.259 522 M C 2.190 178.446 176.300 -0.073 0.000 1.071 522 M CA 2.797 58.066 55.300 -0.051 0.000 1.082 522 M CB -2.138 30.438 32.600 -0.040 0.000 1.373 522 M HN 0.922 nan 8.290 nan 0.000 0.408 523 Q N -0.700 119.034 119.800 -0.111 0.000 2.061 523 Q HA -0.041 4.298 4.340 -0.001 0.000 0.195 523 Q C 2.121 177.989 176.000 -0.219 0.000 0.967 523 Q CA 1.692 57.415 55.803 -0.134 0.000 0.829 523 Q CB -0.349 28.313 28.738 -0.127 0.000 0.900 523 Q HN 0.877 nan 8.270 nan 0.000 0.450 524 Q N 0.208 119.773 119.800 -0.392 0.000 2.118 524 Q HA -0.234 4.106 4.340 -0.001 0.000 0.211 524 Q C 2.074 177.856 176.000 -0.363 0.000 0.998 524 Q CA 1.474 56.844 55.803 -0.723 0.000 0.872 524 Q CB -0.004 28.284 28.738 -0.750 0.000 0.925 524 Q HN 0.188 nan 8.270 nan 0.000 0.414 525 R N 0.206 120.600 120.500 -0.178 0.000 2.080 525 R HA -0.188 4.151 4.340 -0.001 0.000 0.236 525 R C 2.167 178.496 176.300 0.049 0.000 1.137 525 R CA 1.612 57.702 56.100 -0.017 0.000 0.943 525 R CB -0.703 29.585 30.300 -0.020 0.000 0.846 525 R HN 0.486 nan 8.270 nan 0.000 0.431 526 Q N -0.080 119.718 119.800 -0.003 0.000 2.045 526 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 526 Q C 2.125 178.153 176.000 0.046 0.000 0.991 526 Q CA 2.034 57.852 55.803 0.026 0.000 0.851 526 Q CB -0.166 28.569 28.738 -0.004 0.000 0.911 526 Q HN 0.399 nan 8.270 nan 0.000 0.418 527 A N 0.593 123.431 122.820 0.031 0.000 1.859 527 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 527 A C 1.949 179.594 177.584 0.101 0.000 1.198 527 A CA 1.523 53.618 52.037 0.097 0.000 0.629 527 A CB -1.009 18.108 19.000 0.194 0.000 0.830 527 A HN 0.385 nan 8.150 nan 0.000 0.446 528 L N -0.353 120.930 121.223 0.101 0.000 2.021 528 L HA -0.230 4.110 4.340 -0.001 0.000 0.215 528 L C 3.009 179.847 176.870 -0.053 0.000 1.074 528 L CA 2.181 57.020 54.840 -0.000 0.000 0.760 528 L CB -1.450 40.556 42.059 -0.088 0.000 0.889 528 L HN 0.471 nan 8.230 nan 0.000 0.433 529 A N -0.734 122.126 122.820 0.067 0.000 2.032 529 A HA -0.226 4.094 4.320 -0.001 0.000 0.221 529 A C 1.497 179.096 177.584 0.025 0.000 1.165 529 A CA 1.735 53.830 52.037 0.096 0.000 0.645 529 A CB -0.611 18.507 19.000 0.197 0.000 0.807 529 A HN 0.712 nan 8.150 nan 0.000 0.453 530 Q N 0.560 120.370 119.800 0.017 0.000 2.302 530 Q HA 0.488 4.827 4.340 -0.001 0.000 0.332 530 Q C 0.167 176.154 176.000 -0.020 0.000 0.913 530 Q CA -0.435 55.371 55.803 0.005 0.000 1.098 530 Q CB -0.156 28.593 28.738 0.018 0.000 1.236 530 Q HN 0.741 nan 8.270 nan 0.000 0.436 531 I N -1.610 118.928 120.570 -0.054 0.000 2.970 531 I HA 0.725 4.895 4.170 -0.001 0.000 0.310 531 I C -0.155 175.924 176.117 -0.063 0.000 1.010 531 I CA -0.599 60.661 61.300 -0.066 0.000 1.228 531 I CB 1.696 39.637 38.000 -0.098 0.000 1.433 531 I HN 0.208 nan 8.210 nan 0.000 0.573 532 S N 3.061 118.724 115.700 -0.062 0.000 2.537 532 S HA 0.287 4.757 4.470 -0.001 0.000 0.271 532 S C -0.002 174.555 174.600 -0.071 0.000 1.148 532 S CA -0.782 57.381 58.200 -0.062 0.000 0.868 532 S CB 1.667 64.831 63.200 -0.059 0.000 1.115 532 S HN 0.780 nan 8.310 nan 0.000 0.461 533 L N 2.004 123.175 121.223 -0.086 0.000 2.275 533 L HA 0.282 4.621 4.340 -0.001 0.000 0.215 533 L C -1.304 175.504 176.870 -0.104 0.000 1.119 533 L CA 1.366 56.149 54.840 -0.096 0.000 0.790 533 L CB -1.185 40.806 42.059 -0.114 0.000 0.919 533 L HN 0.588 nan 8.230 nan 0.000 0.443 534 P HA -0.096 nan 4.420 nan 0.000 0.219 534 P C 1.506 178.777 177.300 -0.048 0.000 1.154 534 P CA 1.030 64.078 63.100 -0.086 0.000 0.826 534 P CB -0.013 31.628 31.700 -0.098 0.000 0.795 535 R N 0.236 120.707 120.500 -0.049 0.000 2.152 535 R HA -0.016 4.323 4.340 -0.001 0.000 0.232 535 R C 2.124 178.402 176.300 -0.036 0.000 1.117 535 R CA 1.159 57.238 56.100 -0.035 0.000 0.981 535 R CB -1.197 29.079 30.300 -0.040 0.000 0.870 535 R HN 0.108 nan 8.270 nan 0.000 0.451 536 I N 1.009 121.552 120.570 -0.045 0.000 2.353 536 I HA -0.200 3.970 4.170 -0.001 0.000 0.248 536 I C 2.255 178.351 176.117 -0.034 0.000 1.119 536 I CA 1.077 62.351 61.300 -0.043 0.000 1.417 536 I CB -0.377 37.593 38.000 -0.049 0.000 1.078 536 I HN 0.325 nan 8.210 nan 0.000 0.421 537 I N -0.510 120.040 120.570 -0.033 0.000 2.546 537 I HA -0.220 3.949 4.170 -0.001 0.000 0.255 537 I C 2.169 178.283 176.117 -0.004 0.000 1.163 537 I CA 1.542 62.830 61.300 -0.021 0.000 1.457 537 I CB -0.423 37.565 38.000 -0.021 0.000 1.092 537 I HN 0.238 nan 8.210 nan 0.000 0.434 538 c N 1.356 119.954 118.600 -0.002 0.000 2.504 538 c HA 0.038 4.608 4.570 -0.001 0.000 0.279 538 c C 2.263 176.352 174.090 -0.001 0.000 1.358 538 c CA 0.357 56.691 56.329 0.009 0.000 1.747 538 c CB -0.848 41.668 42.510 0.010 0.000 2.037 538 c HN 0.522 nan 8.230 nan 0.000 0.503 539 D N 1.501 121.893 120.400 -0.012 0.000 2.117 539 D HA -0.067 4.573 4.640 -0.001 0.000 0.198 539 D C 1.424 177.715 176.300 -0.014 0.000 0.982 539 D CA 1.169 55.159 54.000 -0.016 0.000 0.828 539 D CB -0.499 40.285 40.800 -0.026 0.000 0.967 539 D HN 0.726 nan 8.370 nan 0.000 0.464 540 N N -0.564 118.126 118.700 -0.017 0.000 2.203 540 N HA 0.020 4.760 4.740 -0.001 0.000 0.207 540 N C 0.716 176.216 175.510 -0.017 0.000 1.130 540 N CA -0.010 53.030 53.050 -0.016 0.000 0.861 540 N CB 0.795 39.273 38.487 -0.016 0.000 1.005 540 N HN 0.075 nan 8.380 nan 0.000 0.507 541 T N -2.794 111.752 114.554 -0.013 0.000 2.780 541 T HA 0.532 4.881 4.350 -0.001 0.000 0.263 541 T C 0.890 175.585 174.700 -0.008 0.000 0.993 541 T CA -0.371 61.720 62.100 -0.015 0.000 1.010 541 T CB 1.417 70.275 68.868 -0.018 0.000 1.642 541 T HN -0.022 nan 8.240 nan 0.000 0.587 542 G N 0.565 109.359 108.800 -0.009 0.000 3.839 542 G HA2 0.380 4.339 3.960 -0.001 0.000 0.286 542 G HA3 0.380 4.339 3.960 -0.001 0.000 0.286 542 G C 0.385 175.286 174.900 0.003 0.000 1.005 542 G CA -0.382 44.716 45.100 -0.004 0.000 0.824 542 G HN 0.941 nan 8.290 nan 0.000 0.489 543 I N -1.732 118.846 120.570 0.013 0.000 2.566 543 I HA 0.596 4.766 4.170 -0.001 0.000 0.303 543 I C 0.400 176.558 176.117 0.068 0.000 0.983 543 I CA -0.401 60.921 61.300 0.037 0.000 1.235 543 I CB 2.223 40.246 38.000 0.038 0.000 1.386 543 I HN -0.103 nan 8.210 nan 0.000 0.494 544 T N 2.840 117.452 114.554 0.097 0.000 3.000 544 T HA 0.102 4.451 4.350 -0.001 0.000 0.248 544 T C 0.650 175.425 174.700 0.126 0.000 1.034 544 T CA 0.881 63.037 62.100 0.093 0.000 1.060 544 T CB -0.136 68.774 68.868 0.071 0.000 0.983 544 T HN 0.852 nan 8.240 nan 0.000 0.482 545 T N 0.822 115.508 114.554 0.220 0.000 2.912 545 T HA 0.721 5.071 4.350 -0.001 0.000 0.326 545 T C -0.246 174.698 174.700 0.407 0.000 1.080 545 T CA -0.684 61.547 62.100 0.219 0.000 1.000 545 T CB 1.132 70.047 68.868 0.078 0.000 1.008 545 T HN -0.005 nan 8.240 nan 0.000 0.473 546 V N 2.347 122.440 119.914 0.298 0.000 3.556 546 V HA 0.615 4.735 4.120 -0.001 0.000 0.292 546 V C 0.758 176.942 176.094 0.150 0.000 1.030 546 V CA -0.563 61.894 62.300 0.263 0.000 1.009 546 V CB 1.926 33.802 31.823 0.090 0.000 1.242 546 V HN 0.994 nan 8.190 nan 0.000 0.431 547 S N 0.457 116.000 115.700 -0.261 0.000 2.584 547 S HA 0.342 4.811 4.470 -0.001 0.000 0.273 547 S C -0.202 174.219 174.600 -0.297 0.000 1.311 547 S CA -0.474 57.352 58.200 -0.625 0.000 1.034 547 S CB 0.673 63.513 63.200 -0.601 0.000 0.939 547 S HN 0.857 nan 8.310 nan 0.000 0.513 548 K N 3.765 124.019 120.400 -0.243 0.000 2.132 548 K HA 0.275 4.594 4.320 -0.001 0.000 0.240 548 K C -0.056 176.450 176.600 -0.155 0.000 1.036 548 K CA -0.459 55.745 56.287 -0.138 0.000 0.888 548 K CB -0.750 31.703 32.500 -0.078 0.000 1.071 548 K HN 0.800 nan 8.250 nan 0.000 0.502 549 N N 1.961 120.597 118.700 -0.107 0.000 1.960 549 N HA -0.104 4.635 4.740 -0.001 0.000 0.299 549 N C -0.432 175.016 175.510 -0.102 0.000 1.267 549 N CA 1.436 54.429 53.050 -0.094 0.000 0.802 549 N CB -0.277 38.175 38.487 -0.058 0.000 1.031 549 N HN 0.762 nan 8.380 nan 0.000 0.490 550 N N 1.096 119.727 118.700 -0.115 0.000 2.663 550 N HA -0.175 4.565 4.740 -0.001 0.000 0.263 550 N C 0.426 175.833 175.510 -0.171 0.000 1.109 550 N CA 0.334 53.333 53.050 -0.084 0.000 0.701 550 N CB -0.711 37.789 38.487 0.023 0.000 0.879 550 N HN 0.547 nan 8.380 nan 0.000 0.550 551 I N -1.845 118.496 120.570 -0.383 0.000 2.454 551 I HA -0.221 3.949 4.170 -0.001 0.000 0.254 551 I C 1.813 177.744 176.117 -0.310 0.000 1.156 551 I CA 1.029 62.077 61.300 -0.420 0.000 1.433 551 I CB -0.401 37.215 38.000 -0.640 0.000 1.082 551 I HN 0.095 nan 8.210 nan 0.000 0.432 552 F N 0.720 120.666 119.950 -0.006 0.000 2.269 552 F HA -0.139 4.387 4.527 -0.001 0.000 0.301 552 F C 2.415 178.222 175.800 0.011 0.000 1.082 552 F CA 1.421 59.441 58.000 0.034 0.000 1.360 552 F CB -0.587 38.474 39.000 0.101 0.000 1.041 552 F HN 0.138 nan 8.300 nan 0.000 0.512 553 M N -0.624 119.026 119.600 0.083 0.000 2.718 553 M HA 0.123 4.603 4.480 -0.001 0.000 0.259 553 M C 0.708 176.992 176.300 -0.026 0.000 1.240 553 M CA 0.364 55.686 55.300 0.037 0.000 1.210 553 M CB 0.078 32.702 32.600 0.040 0.000 1.281 553 M HN -0.092 nan 8.290 nan 0.000 0.515 554 S N 2.766 118.412 115.700 -0.091 0.000 2.568 554 S HA 0.154 4.623 4.470 -0.001 0.000 0.282 554 S C -0.030 174.477 174.600 -0.155 0.000 1.338 554 S CA 0.188 58.307 58.200 -0.135 0.000 1.045 554 S CB 0.146 63.216 63.200 -0.216 0.000 0.873 554 S HN 0.727 nan 8.310 nan 0.000 0.516 555 N N -1.720 116.913 118.700 -0.111 0.000 2.405 555 N HA 0.041 4.780 4.740 -0.001 0.000 0.221 555 N C -1.162 174.381 175.510 0.054 0.000 1.386 555 N CA -0.353 52.662 53.050 -0.058 0.000 1.332 555 N CB -0.031 38.437 38.487 -0.032 0.000 1.256 555 N HN 0.319 nan 8.380 nan 0.000 0.587 556 S N -0.057 115.714 115.700 0.118 0.000 2.501 556 S HA 0.306 4.775 4.470 -0.001 0.000 0.301 556 S C -0.221 174.574 174.600 0.325 0.000 1.096 556 S CA -0.574 57.724 58.200 0.164 0.000 1.063 556 S CB 0.913 64.170 63.200 0.095 0.000 1.042 556 S HN 0.291 nan 8.310 nan 0.000 0.494 557 Y N 6.229 126.550 120.300 0.035 0.000 2.090 557 Y HA 0.022 4.572 4.550 -0.001 0.000 0.274 557 Y C -0.952 174.872 175.900 -0.126 0.000 1.110 557 Y CA 1.460 59.464 58.100 -0.160 0.000 1.092 557 Y CB -1.647 36.648 38.460 -0.275 0.000 0.992 557 Y HN 0.491 nan 8.280 nan 0.000 0.479 558 P HA -0.337 nan 4.420 nan 0.000 0.222 558 P C 1.709 178.877 177.300 -0.221 0.000 1.157 558 P CA 3.449 66.440 63.100 -0.182 0.000 0.905 558 P CB -0.377 31.289 31.700 -0.057 0.000 0.792 559 R N -0.115 120.386 120.500 0.002 0.000 2.121 559 R HA 0.065 4.404 4.340 -0.001 0.000 0.206 559 R C 0.765 177.104 176.300 0.065 0.000 1.094 559 R CA 1.164 57.268 56.100 0.006 0.000 1.055 559 R CB -1.949 28.360 30.300 0.016 0.000 0.964 559 R HN 0.381 nan 8.270 nan 0.000 0.473 560 D N -0.116 120.362 120.400 0.131 0.000 2.930 560 D HA 0.429 5.069 4.640 -0.001 0.000 0.304 560 D C -0.692 175.536 176.300 -0.120 0.000 1.298 560 D CA -0.654 53.362 54.000 0.026 0.000 0.949 560 D CB -0.360 40.438 40.800 -0.002 0.000 1.013 560 D HN 0.323 nan 8.370 nan 0.000 0.510 561 F N -0.251 119.627 119.950 -0.119 0.000 3.090 561 F HA 0.678 5.205 4.527 -0.001 0.000 0.324 561 F C -0.615 175.099 175.800 -0.143 0.000 1.189 561 F CA -0.838 57.073 58.000 -0.147 0.000 0.907 561 F CB 1.442 40.297 39.000 -0.241 0.000 1.445 561 F HN 0.002 nan 8.300 nan 0.000 0.500 562 V N -2.576 117.430 119.914 0.154 0.000 3.285 562 V HA 0.700 4.820 4.120 -0.001 0.000 0.293 562 V C -0.794 175.323 176.094 0.039 0.000 1.563 562 V CA -1.025 61.298 62.300 0.039 0.000 1.058 562 V CB 0.535 32.363 31.823 0.009 0.000 1.142 562 V HN 1.018 nan 8.190 nan 0.000 0.470 563 N N -2.022 116.682 118.700 0.006 0.000 2.463 563 N HA 0.375 5.115 4.740 -0.001 0.000 0.270 563 N C 0.197 175.722 175.510 0.024 0.000 1.205 563 N CA 0.125 53.183 53.050 0.013 0.000 0.974 563 N CB 1.260 39.744 38.487 -0.005 0.000 1.197 563 N HN 0.970 nan 8.380 nan 0.000 0.504 564 c N 1.099 119.717 118.600 0.031 0.000 2.269 564 c HA 0.358 4.928 4.570 -0.001 0.000 0.378 564 c C 1.299 175.394 174.090 0.009 0.000 1.319 564 c CA 0.016 56.359 56.329 0.023 0.000 1.721 564 c CB -2.145 40.382 42.510 0.029 0.000 1.998 564 c HN 0.793 nan 8.230 nan 0.000 0.582 565 S N -1.110 114.592 115.700 0.003 0.000 2.631 565 S HA -0.037 4.432 4.470 -0.001 0.000 0.246 565 S C 1.543 176.141 174.600 -0.004 0.000 1.068 565 S CA 0.257 58.457 58.200 -0.001 0.000 0.995 565 S CB -0.023 63.176 63.200 -0.002 0.000 0.944 565 S HN 0.737 nan 8.310 nan 0.000 0.529 566 T N 0.876 115.427 114.554 -0.005 0.000 3.380 566 T HA 0.339 4.689 4.350 -0.001 0.000 0.250 566 T C -0.012 174.682 174.700 -0.010 0.000 1.082 566 T CA 0.000 62.095 62.100 -0.008 0.000 0.968 566 T CB -0.385 68.476 68.868 -0.010 0.000 1.027 566 T HN -0.027 nan 8.240 nan 0.000 0.575 567 L N 2.493 123.711 121.223 -0.009 0.000 2.362 567 L HA 0.619 4.959 4.340 -0.001 0.000 0.275 567 L C -2.015 174.848 176.870 -0.011 0.000 0.998 567 L CA -2.581 52.251 54.840 -0.013 0.000 0.820 567 L CB 1.664 43.715 42.059 -0.014 0.000 1.270 567 L HN 0.011 nan 8.230 nan 0.000 0.415 568 P HA 0.310 nan 4.420 nan 0.000 0.282 568 P C -1.274 176.019 177.300 -0.012 0.000 1.273 568 P CA -0.323 62.772 63.100 -0.009 0.000 0.809 568 P CB 0.486 32.182 31.700 -0.007 0.000 1.246 569 A N -1.466 121.348 122.820 -0.010 0.000 2.606 569 A HA 0.565 4.884 4.320 -0.001 0.000 0.293 569 A C -0.976 176.601 177.584 -0.013 0.000 1.082 569 A CA -0.752 51.276 52.037 -0.015 0.000 0.685 569 A CB 0.584 19.577 19.000 -0.013 0.000 1.284 569 A HN 0.486 nan 8.150 nan 0.000 0.408 570 L N 0.557 121.762 121.223 -0.031 0.000 2.453 570 L HA 0.359 4.698 4.340 -0.001 0.000 0.261 570 L C 0.243 177.117 176.870 0.007 0.000 1.179 570 L CA -0.283 54.541 54.840 -0.028 0.000 0.813 570 L CB 0.971 42.968 42.059 -0.104 0.000 1.110 570 L HN 0.887 nan 8.230 nan 0.000 0.466 571 N N 1.636 120.389 118.700 0.088 0.000 2.573 571 N HA 0.237 4.976 4.740 -0.001 0.000 0.262 571 N C -0.190 175.487 175.510 0.278 0.000 1.029 571 N CA -0.601 52.527 53.050 0.130 0.000 0.882 571 N CB 0.824 39.387 38.487 0.127 0.000 1.204 571 N HN 0.411 nan 8.380 nan 0.000 0.519 572 L N 3.039 124.357 121.223 0.158 0.000 2.645 572 L HA 0.267 4.607 4.340 -0.001 0.000 0.235 572 L C 2.106 179.217 176.870 0.400 0.000 1.150 572 L CA 0.348 55.379 54.840 0.319 0.000 0.911 572 L CB -1.059 40.975 42.059 -0.042 0.000 1.077 572 L HN 0.659 nan 8.230 nan 0.000 0.438 573 A N -0.553 122.409 122.820 0.237 0.000 2.084 573 A HA -0.191 4.128 4.320 -0.001 0.000 0.221 573 A C 2.319 179.971 177.584 0.113 0.000 1.161 573 A CA 2.079 54.192 52.037 0.126 0.000 0.653 573 A CB -0.350 18.690 19.000 0.067 0.000 0.802 573 A HN 0.509 nan 8.150 nan 0.000 0.457 574 S N -2.124 113.655 115.700 0.132 0.000 2.483 574 S HA 0.082 4.551 4.470 -0.001 0.000 0.221 574 S C 0.748 175.327 174.600 -0.035 0.000 1.030 574 S CA -0.623 57.541 58.200 -0.060 0.000 0.925 574 S CB -0.247 62.782 63.200 -0.285 0.000 0.795 574 S HN 0.617 nan 8.310 nan 0.000 0.511 575 W N 0.000 121.329 121.300 0.048 0.000 2.388 575 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 575 W CA 0.000 57.400 57.345 0.092 0.000 1.226 575 W CB 0.000 29.517 29.460 0.096 0.000 1.126 575 W HN 0.000 nan 8.180 nan 0.000 0.535