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 1djw_1_B DATA FIRST_RESID 158 DATA SEQUENCE NKMNFKELKD FLKELNIQVD DGYARKIFRE CDHSQTDSLE DEEIETFYKM DATA SEQUENCE LTQRAEIDRA FEEAAGSAET LSVERLVTFL QHQQREEEAG PALALSLIER DATA SEQUENCE YEPSETAKAQ RQMTKDGFLM YLLSADGNAF SLAHRRVYQD MDQPLSHYLV DATA SEQUENCE SSSHNTYLLE DQLTGPSSTE AYIRALCKGC RCLELDCWDG PNQEPIIYHG DATA SEQUENCE YTFTSKILFC DVLRAIRDYA FKASPYPVIL SLENHCSLEQ QRVMARHLRA DATA SEQUENCE ILGPILLDQP LDGVTTSLPS PEQLKGKILL KGKKLGGLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXDKLK LVPELSDMII YCKSVHFGGF DATA SEQUENCE SSPGTSGQAF YEMASFSESR ALRLLQESGN GFVRHNVSCL SRIYPAGWRT DATA SEQUENCE DSSNYSPVEM WNGGCQIVAL NFQTPGPEMD VYLGCFQDNG GCGYVLKPAF DATA SEQUENCE LRDPNTTFNS RALTQGPWWR PERLRVRIIS GQQLPKVNKN KNSIVDPKVI DATA SEQUENCE VEIHGVGRDT GSRQTAVITN NGFNPRWDME FEFEVTVPDL ALVRFMVEDY DATA SEQUENCE DSSSKNDFIG QSTIPWNSLK QGYRHVHLLS KNGDQHPSAT LFVKISIQD 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 158 N HA 0.000 nan 4.740 nan 0.000 0.220 158 N C 0.000 175.501 175.510 -0.015 0.000 1.280 158 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 158 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 159 K N -0.017 120.380 120.400 -0.006 0.000 2.512 159 K HA 0.647 4.967 4.320 0.000 0.000 0.263 159 K C -0.505 176.108 176.600 0.022 0.000 0.966 159 K CA -0.864 55.429 56.287 0.009 0.000 0.851 159 K CB 1.795 34.307 32.500 0.019 0.000 1.395 159 K HN 0.132 nan 8.250 nan 0.000 0.440 160 M N -0.066 119.567 119.600 0.054 0.000 2.436 160 M HA 0.527 5.007 4.480 0.000 0.000 0.331 160 M C -1.025 175.368 176.300 0.154 0.000 1.135 160 M CA -0.416 54.922 55.300 0.064 0.000 0.987 160 M CB 1.556 34.169 32.600 0.022 0.000 1.687 160 M HN 0.656 nan 8.290 nan 0.000 0.445 161 N N 1.458 120.192 118.700 0.056 0.000 2.483 161 N HA 0.383 5.124 4.740 0.000 0.000 0.285 161 N C -0.014 175.362 175.510 -0.223 0.000 1.210 161 N CA -0.875 52.202 53.050 0.044 0.000 0.931 161 N CB 0.498 39.011 38.487 0.044 0.000 1.220 161 N HN 0.655 nan 8.380 nan 0.000 0.542 162 F N 0.441 120.012 119.950 -0.633 0.000 2.085 162 F HA -0.180 4.347 4.527 0.000 0.000 0.299 162 F C 1.869 177.424 175.800 -0.409 0.000 1.096 162 F CA 1.837 59.367 58.000 -0.784 0.000 1.227 162 F CB -0.358 38.319 39.000 -0.539 0.000 0.983 162 F HN 0.512 nan 8.300 nan 0.000 0.482 163 K N 0.506 120.765 120.400 -0.234 0.000 2.025 163 K HA -0.133 4.187 4.320 0.000 0.000 0.207 163 K C 2.100 178.588 176.600 -0.185 0.000 1.049 163 K CA 1.567 57.708 56.287 -0.244 0.000 0.933 163 K CB -0.594 31.829 32.500 -0.129 0.000 0.714 163 K HN 0.342 nan 8.250 nan 0.000 0.438 164 E N -0.011 120.117 120.200 -0.121 0.000 2.118 164 E HA -0.215 4.135 4.350 0.000 0.000 0.195 164 E C 1.822 178.394 176.600 -0.046 0.000 0.992 164 E CA 1.150 57.513 56.400 -0.062 0.000 0.804 164 E CB -0.137 29.539 29.700 -0.040 0.000 0.741 164 E HN 0.142 nan 8.360 nan 0.000 0.458 165 L N 1.404 122.545 121.223 -0.137 0.000 1.973 165 L HA -0.161 4.179 4.340 0.000 0.000 0.208 165 L C 1.824 178.615 176.870 -0.131 0.000 1.073 165 L CA 1.854 56.629 54.840 -0.109 0.000 0.746 165 L CB -0.205 41.652 42.059 -0.336 0.000 0.891 165 L HN -0.179 nan 8.230 nan 0.000 0.433 166 K N -0.167 120.027 120.400 -0.344 0.000 2.293 166 K HA -0.213 4.107 4.320 0.000 0.000 0.204 166 K C 1.564 178.050 176.600 -0.190 0.000 1.045 166 K CA 1.555 57.635 56.287 -0.345 0.000 0.933 166 K CB -0.273 31.933 32.500 -0.490 0.000 0.736 166 K HN 0.484 nan 8.250 nan 0.000 0.463 167 D N 0.052 120.382 120.400 -0.117 0.000 2.121 167 D HA -0.118 4.523 4.640 0.000 0.000 0.209 167 D C 1.471 177.775 176.300 0.007 0.000 0.981 167 D CA 0.637 54.610 54.000 -0.045 0.000 0.875 167 D CB -0.372 40.422 40.800 -0.009 0.000 1.016 167 D HN 0.051 nan 8.370 nan 0.000 0.452 168 F N 1.764 121.684 119.950 -0.050 0.000 2.135 168 F HA -0.252 4.275 4.527 0.000 0.000 0.300 168 F C 1.784 177.597 175.800 0.022 0.000 1.074 168 F CA 1.329 59.324 58.000 -0.007 0.000 1.262 168 F CB -0.611 38.393 39.000 0.007 0.000 1.013 168 F HN -0.040 nan 8.300 nan 0.000 0.489 169 L N 0.365 121.283 121.223 -0.508 0.000 1.932 169 L HA -0.270 4.071 4.340 0.000 0.000 0.217 169 L C 2.670 179.346 176.870 -0.324 0.000 1.077 169 L CA 1.953 56.460 54.840 -0.556 0.000 0.765 169 L CB -0.992 40.880 42.059 -0.311 0.000 0.888 169 L HN 0.052 nan 8.230 nan 0.000 0.433 170 K N 0.204 120.490 120.400 -0.191 0.000 2.189 170 K HA -0.257 4.063 4.320 0.000 0.000 0.207 170 K C 1.697 178.254 176.600 -0.070 0.000 1.046 170 K CA 1.246 57.466 56.287 -0.111 0.000 0.928 170 K CB -0.615 31.836 32.500 -0.081 0.000 0.720 170 K HN 0.439 nan 8.250 nan 0.000 0.458 171 E N 0.787 120.954 120.200 -0.055 0.000 2.007 171 E HA -0.158 4.192 4.350 0.000 0.000 0.203 171 E C 0.292 176.898 176.600 0.009 0.000 1.020 171 E CA 1.000 57.410 56.400 0.017 0.000 0.845 171 E CB -0.146 29.625 29.700 0.117 0.000 0.779 171 E HN 0.274 nan 8.360 nan 0.000 0.466 172 L N 1.851 123.063 121.223 -0.018 0.000 2.385 172 L HA 0.182 4.523 4.340 0.000 0.000 0.281 172 L C 0.351 177.204 176.870 -0.029 0.000 1.106 172 L CA -0.242 54.604 54.840 0.010 0.000 0.856 172 L CB -0.005 42.073 42.059 0.031 0.000 1.186 172 L HN -0.005 nan 8.230 nan 0.000 0.453 173 N N 4.867 123.570 118.700 0.006 0.000 2.116 173 N HA -0.081 4.659 4.740 0.000 0.000 0.277 173 N C -0.606 174.904 175.510 0.001 0.000 1.291 173 N CA 0.561 53.615 53.050 0.006 0.000 1.128 173 N CB -0.044 38.462 38.487 0.032 0.000 1.497 173 N HN 0.583 nan 8.380 nan 0.000 0.478 174 I N 2.338 122.863 120.570 -0.076 0.000 2.502 174 I HA 0.080 4.250 4.170 0.000 0.000 0.276 174 I C 0.030 176.044 176.117 -0.172 0.000 1.057 174 I CA -0.409 60.792 61.300 -0.164 0.000 1.163 174 I CB 1.296 39.084 38.000 -0.354 0.000 1.288 174 I HN 0.033 nan 8.210 nan 0.000 0.479 175 Q N 4.751 124.508 119.800 -0.072 0.000 2.431 175 Q HA 0.291 4.631 4.340 0.000 0.000 0.234 175 Q C -0.814 175.137 176.000 -0.081 0.000 1.203 175 Q CA -0.015 55.757 55.803 -0.052 0.000 0.902 175 Q CB 1.021 29.762 28.738 0.005 0.000 1.455 175 Q HN 0.408 nan 8.270 nan 0.000 0.515 176 V N 2.511 122.343 119.914 -0.135 0.000 2.540 176 V HA 0.079 4.199 4.120 0.000 0.000 0.302 176 V C -0.278 175.808 176.094 -0.012 0.000 1.035 176 V CA -0.979 61.249 62.300 -0.120 0.000 0.873 176 V CB 2.065 33.745 31.823 -0.238 0.000 0.992 176 V HN 0.632 nan 8.190 nan 0.000 0.428 177 D N 3.433 123.855 120.400 0.036 0.000 2.581 177 D HA -0.068 4.572 4.640 0.000 0.000 0.238 177 D C 1.127 177.509 176.300 0.138 0.000 1.145 177 D CA 0.475 54.523 54.000 0.081 0.000 0.866 177 D CB 0.767 41.626 40.800 0.098 0.000 1.151 177 D HN 0.531 nan 8.370 nan 0.000 0.500 178 D N 3.118 123.572 120.400 0.091 0.000 2.158 178 D HA -0.146 4.494 4.640 0.000 0.000 0.197 178 D C 1.964 178.429 176.300 0.274 0.000 0.995 178 D CA 1.362 55.432 54.000 0.117 0.000 0.846 178 D CB -0.228 40.594 40.800 0.037 0.000 0.941 178 D HN 0.662 nan 8.370 nan 0.000 0.456 179 G N -0.259 108.666 108.800 0.208 0.000 2.421 179 G HA2 -0.313 3.647 3.960 0.000 0.000 0.216 179 G HA3 -0.313 3.647 3.960 0.000 0.000 0.216 179 G C 1.601 176.621 174.900 0.200 0.000 1.171 179 G CA 0.769 45.983 45.100 0.191 0.000 0.775 179 G HN 0.299 nan 8.290 nan 0.000 0.543 180 Y N 2.065 122.426 120.300 0.102 0.000 2.097 180 Y HA -0.044 4.506 4.550 0.000 0.000 0.282 180 Y C 2.938 178.933 175.900 0.158 0.000 1.152 180 Y CA 1.630 59.782 58.100 0.086 0.000 1.136 180 Y CB -0.581 37.903 38.460 0.039 0.000 0.975 180 Y HN 0.244 nan 8.280 nan 0.000 0.498 181 A N 0.836 123.795 122.820 0.232 0.000 2.024 181 A HA -0.232 4.088 4.320 0.000 0.000 0.220 181 A C 2.423 180.289 177.584 0.470 0.000 1.164 181 A CA 1.861 54.094 52.037 0.326 0.000 0.643 181 A CB -0.852 18.361 19.000 0.356 0.000 0.806 181 A HN 0.594 nan 8.150 nan 0.000 0.451 182 R N 0.063 120.773 120.500 0.351 0.000 2.057 182 R HA -0.121 4.219 4.340 0.000 0.000 0.229 182 R C 2.297 178.559 176.300 -0.063 0.000 1.136 182 R CA 1.703 57.711 56.100 -0.153 0.000 0.952 182 R CB -0.410 29.737 30.300 -0.255 0.000 0.848 182 R HN 0.539 nan 8.270 nan 0.000 0.430 183 K N 0.384 120.751 120.400 -0.056 0.000 2.020 183 K HA -0.176 4.144 4.320 0.000 0.000 0.212 183 K C 2.028 178.578 176.600 -0.084 0.000 1.050 183 K CA 1.854 58.090 56.287 -0.085 0.000 0.929 183 K CB -0.181 32.263 32.500 -0.093 0.000 0.714 183 K HN 0.131 nan 8.250 nan 0.000 0.443 184 I N 1.132 121.616 120.570 -0.144 0.000 2.208 184 I HA -0.228 3.942 4.170 0.000 0.000 0.245 184 I C 2.296 178.565 176.117 0.254 0.000 1.097 184 I CA 1.055 62.315 61.300 -0.067 0.000 1.363 184 I CB -1.285 36.548 38.000 -0.278 0.000 1.051 184 I HN 0.237 nan 8.210 nan 0.000 0.413 185 F N 2.367 122.453 119.950 0.227 0.000 2.102 185 F HA -0.207 4.321 4.527 0.000 0.000 0.298 185 F C 2.692 178.467 175.800 -0.042 0.000 1.105 185 F CA 1.649 59.703 58.000 0.090 0.000 1.239 185 F CB -0.356 38.593 39.000 -0.084 0.000 0.991 185 F HN -0.036 nan 8.300 nan 0.000 0.474 186 R N 0.639 121.035 120.500 -0.173 0.000 2.080 186 R HA -0.188 4.153 4.340 0.000 0.000 0.236 186 R C 2.021 178.168 176.300 -0.255 0.000 1.137 186 R CA 1.921 57.850 56.100 -0.286 0.000 0.943 186 R CB -1.111 29.096 30.300 -0.156 0.000 0.846 186 R HN 0.461 nan 8.270 nan 0.000 0.431 187 E N 0.120 120.227 120.200 -0.156 0.000 2.284 187 E HA -0.208 4.142 4.350 0.000 0.000 0.200 187 E C 1.805 178.300 176.600 -0.174 0.000 1.008 187 E CA 1.181 57.495 56.400 -0.144 0.000 0.829 187 E CB -0.160 29.486 29.700 -0.089 0.000 0.744 187 E HN 0.377 nan 8.360 nan 0.000 0.491 188 C N 0.576 119.780 119.300 -0.160 0.000 2.634 188 C HA 0.049 4.509 4.460 0.000 0.000 0.268 188 C C 0.922 175.806 174.990 -0.177 0.000 1.322 188 C CA -0.610 58.342 59.018 -0.111 0.000 1.737 188 C CB -0.460 27.305 27.740 0.043 0.000 1.976 188 C HN 0.259 nan 8.230 nan 0.000 0.547 189 D N -0.065 120.143 120.400 -0.319 0.000 2.393 189 D HA 0.097 4.738 4.640 0.000 0.000 0.232 189 D C 1.278 177.460 176.300 -0.197 0.000 1.192 189 D CA 0.216 54.054 54.000 -0.270 0.000 0.882 189 D CB 0.094 40.635 40.800 -0.431 0.000 1.038 189 D HN 0.453 nan 8.370 nan 0.000 0.499 190 H N 1.633 120.635 119.070 -0.113 0.000 2.321 190 H HA -0.132 4.424 4.556 0.000 0.000 0.300 190 H C 2.021 177.305 175.328 -0.073 0.000 1.087 190 H CA 1.603 57.604 56.048 -0.078 0.000 1.319 190 H CB -0.017 29.712 29.762 -0.055 0.000 1.379 190 H HN 0.481 nan 8.280 nan 0.000 0.501 191 S N 0.742 116.475 115.700 0.054 0.000 2.420 191 S HA -0.213 4.257 4.470 0.000 0.000 0.237 191 S C 1.077 175.663 174.600 -0.024 0.000 1.023 191 S CA 1.141 59.346 58.200 0.008 0.000 0.991 191 S CB -0.078 63.121 63.200 -0.002 0.000 0.792 191 S HN 0.451 nan 8.310 nan 0.000 0.488 192 Q N -0.407 119.357 119.800 -0.059 0.000 2.424 192 Q HA -0.175 4.165 4.340 0.000 0.000 0.234 192 Q C 1.131 177.102 176.000 -0.048 0.000 0.748 192 Q CA 1.580 57.341 55.803 -0.069 0.000 1.286 192 Q CB -3.227 25.481 28.738 -0.050 0.000 1.494 192 Q HN 1.005 nan 8.270 nan 0.000 0.683 193 T N -3.378 111.153 114.554 -0.039 0.000 3.085 193 T HA 0.125 4.476 4.350 0.000 0.000 0.263 193 T C 0.466 175.171 174.700 0.008 0.000 1.127 193 T CA 0.782 62.874 62.100 -0.012 0.000 1.103 193 T CB 0.165 69.030 68.868 -0.004 0.000 0.921 193 T HN 0.181 nan 8.240 nan 0.000 0.510 194 D N 0.769 121.161 120.400 -0.014 0.000 2.873 194 D HA -0.122 4.518 4.640 0.000 0.000 0.228 194 D C -0.339 176.090 176.300 0.216 0.000 1.122 194 D CA 0.963 55.014 54.000 0.085 0.000 0.758 194 D CB -1.543 39.332 40.800 0.125 0.000 1.094 194 D HN 0.850 nan 8.370 nan 0.000 0.434 195 S N -1.257 114.498 115.700 0.090 0.000 2.537 195 S HA 0.715 5.185 4.470 0.000 0.000 0.270 195 S C -0.772 173.845 174.600 0.028 0.000 1.142 195 S CA -1.077 57.216 58.200 0.155 0.000 0.870 195 S CB 1.795 65.051 63.200 0.093 0.000 1.112 195 S HN 0.138 nan 8.310 nan 0.000 0.466 196 L N 2.494 123.768 121.223 0.086 0.000 2.265 196 L HA 0.557 4.897 4.340 0.000 0.000 0.289 196 L C 0.240 177.121 176.870 0.017 0.000 1.033 196 L CA -0.627 54.222 54.840 0.015 0.000 0.814 196 L CB 1.259 43.344 42.059 0.043 0.000 1.203 196 L HN 0.734 nan 8.230 nan 0.000 0.423 197 E N 1.266 121.468 120.200 0.003 0.000 2.351 197 E HA 0.038 4.388 4.350 0.000 0.000 0.255 197 E C 0.353 176.956 176.600 0.004 0.000 1.188 197 E CA -0.262 56.137 56.400 -0.001 0.000 0.940 197 E CB 0.720 30.415 29.700 -0.009 0.000 1.094 197 E HN 0.472 nan 8.360 nan 0.000 0.474 198 D N 0.714 121.111 120.400 -0.005 0.000 2.242 198 D HA -0.238 4.402 4.640 0.000 0.000 0.193 198 D C 1.442 177.751 176.300 0.015 0.000 1.005 198 D CA 1.827 55.824 54.000 -0.004 0.000 0.856 198 D CB -0.059 40.732 40.800 -0.016 0.000 1.001 198 D HN 0.476 nan 8.370 nan 0.000 0.452 199 E N 0.209 120.415 120.200 0.011 0.000 2.086 199 E HA -0.253 4.097 4.350 0.000 0.000 0.200 199 E C 2.083 178.725 176.600 0.068 0.000 1.012 199 E CA 1.304 57.720 56.400 0.027 0.000 0.812 199 E CB -0.140 29.560 29.700 -0.000 0.000 0.743 199 E HN 0.395 nan 8.360 nan 0.000 0.453 200 E N 0.240 120.483 120.200 0.071 0.000 2.171 200 E HA -0.220 4.130 4.350 0.000 0.000 0.197 200 E C 2.114 178.811 176.600 0.161 0.000 0.997 200 E CA 1.136 57.603 56.400 0.111 0.000 0.810 200 E CB -0.135 29.610 29.700 0.074 0.000 0.738 200 E HN 0.410 nan 8.360 nan 0.000 0.467 201 I N 0.595 121.244 120.570 0.131 0.000 2.233 201 I HA -0.182 3.988 4.170 0.000 0.000 0.243 201 I C 2.046 178.324 176.117 0.270 0.000 1.093 201 I CA 1.202 62.615 61.300 0.188 0.000 1.380 201 I CB -0.964 37.075 38.000 0.066 0.000 1.067 201 I HN 0.079 nan 8.210 nan 0.000 0.413 202 E N 1.335 121.637 120.200 0.171 0.000 2.085 202 E HA -0.182 4.168 4.350 0.000 0.000 0.194 202 E C 2.155 178.899 176.600 0.240 0.000 0.994 202 E CA 2.044 58.556 56.400 0.187 0.000 0.801 202 E CB -0.301 29.463 29.700 0.107 0.000 0.743 202 E HN 0.455 nan 8.360 nan 0.000 0.453 203 T N 0.900 115.571 114.554 0.196 0.000 2.788 203 T HA -0.156 4.194 4.350 0.000 0.000 0.268 203 T C 1.447 176.268 174.700 0.201 0.000 1.044 203 T CA 1.020 63.220 62.100 0.167 0.000 1.139 203 T CB -0.315 68.638 68.868 0.142 0.000 0.867 203 T HN 0.182 nan 8.240 nan 0.000 0.454 204 F N 0.956 120.992 119.950 0.144 0.000 2.084 204 F HA -0.092 4.435 4.527 0.000 0.000 0.296 204 F C 2.155 178.075 175.800 0.200 0.000 1.111 204 F CA 0.904 59.001 58.000 0.162 0.000 1.224 204 F CB -0.629 38.505 39.000 0.222 0.000 0.991 204 F HN 0.166 nan 8.300 nan 0.000 0.471 205 Y N 1.531 121.943 120.300 0.187 0.000 2.207 205 Y HA -0.214 4.337 4.550 0.000 0.000 0.287 205 Y C 2.245 178.146 175.900 0.001 0.000 1.156 205 Y CA 2.172 60.338 58.100 0.110 0.000 1.182 205 Y CB -0.459 38.163 38.460 0.272 0.000 0.979 205 Y HN 0.059 nan 8.280 nan 0.000 0.521 206 K N -0.403 120.010 120.400 0.022 0.000 2.025 206 K HA -0.161 4.159 4.320 0.000 0.000 0.207 206 K C 2.130 178.652 176.600 -0.130 0.000 1.049 206 K CA 1.866 58.116 56.287 -0.061 0.000 0.933 206 K CB -0.284 32.252 32.500 0.060 0.000 0.714 206 K HN 0.385 nan 8.250 nan 0.000 0.438 207 M N 0.642 120.172 119.600 -0.116 0.000 2.202 207 M HA -0.161 4.320 4.480 0.000 0.000 0.262 207 M C 2.203 178.425 176.300 -0.130 0.000 1.063 207 M CA 1.203 56.437 55.300 -0.110 0.000 1.097 207 M CB -0.261 32.268 32.600 -0.119 0.000 1.382 207 M HN 0.125 nan 8.290 nan 0.000 0.413 208 L N -0.082 120.974 121.223 -0.279 0.000 2.341 208 L HA -0.015 4.325 4.340 0.000 0.000 0.214 208 L C 2.091 178.890 176.870 -0.118 0.000 1.115 208 L CA 1.438 56.139 54.840 -0.232 0.000 0.820 208 L CB -0.149 41.597 42.059 -0.521 0.000 0.944 208 L HN 0.327 nan 8.230 nan 0.000 0.452 209 T N -3.708 110.696 114.554 -0.251 0.000 3.040 209 T HA 0.121 4.471 4.350 0.000 0.000 0.266 209 T C 0.684 175.301 174.700 -0.138 0.000 1.005 209 T CA -0.240 61.753 62.100 -0.179 0.000 0.906 209 T CB -0.300 68.310 68.868 -0.430 0.000 1.082 209 T HN 0.534 nan 8.240 nan 0.000 0.531 210 Q N 1.740 121.469 119.800 -0.119 0.000 2.337 210 Q HA 0.229 4.569 4.340 0.000 0.000 0.270 210 Q C -0.716 175.224 176.000 -0.100 0.000 1.002 210 Q CA -0.362 55.384 55.803 -0.096 0.000 0.888 210 Q CB 0.548 29.245 28.738 -0.068 0.000 1.222 210 Q HN 0.324 nan 8.270 nan 0.000 0.400 211 R N 2.480 122.911 120.500 -0.115 0.000 2.312 211 R HA 0.325 4.666 4.340 0.000 0.000 0.310 211 R C 0.398 176.638 176.300 -0.100 0.000 1.064 211 R CA 0.077 56.096 56.100 -0.135 0.000 0.983 211 R CB 1.276 31.455 30.300 -0.202 0.000 1.139 211 R HN 0.890 nan 8.270 nan 0.000 0.536 212 A N 3.432 126.212 122.820 -0.068 0.000 1.873 212 A HA -0.265 4.055 4.320 0.000 0.000 0.218 212 A C 2.033 179.604 177.584 -0.022 0.000 1.193 212 A CA 1.881 53.897 52.037 -0.035 0.000 0.629 212 A CB -0.259 18.729 19.000 -0.020 0.000 0.826 212 A HN 0.822 nan 8.150 nan 0.000 0.447 213 E N 0.110 120.300 120.200 -0.017 0.000 2.171 213 E HA -0.217 4.133 4.350 0.000 0.000 0.197 213 E C 1.845 178.439 176.600 -0.011 0.000 0.997 213 E CA 1.620 58.042 56.400 0.036 0.000 0.810 213 E CB -0.530 29.243 29.700 0.121 0.000 0.738 213 E HN 0.528 nan 8.360 nan 0.000 0.467 214 I N 2.113 122.617 120.570 -0.110 0.000 2.286 214 I HA -0.171 3.999 4.170 0.000 0.000 0.245 214 I C 1.825 177.969 176.117 0.046 0.000 1.104 214 I CA 1.144 62.389 61.300 -0.092 0.000 1.397 214 I CB -1.019 36.877 38.000 -0.174 0.000 1.072 214 I HN 0.039 nan 8.210 nan 0.000 0.417 215 D N 0.628 121.028 120.400 0.000 0.000 2.092 215 D HA -0.223 4.417 4.640 0.000 0.000 0.193 215 D C 2.242 178.576 176.300 0.056 0.000 0.994 215 D CA 1.251 55.263 54.000 0.019 0.000 0.828 215 D CB -0.315 40.481 40.800 -0.007 0.000 0.963 215 D HN 0.223 nan 8.370 nan 0.000 0.450 216 R N 0.693 121.215 120.500 0.037 0.000 2.083 216 R HA -0.153 4.187 4.340 0.000 0.000 0.237 216 R C 2.152 178.472 176.300 0.034 0.000 1.137 216 R CA 1.742 57.866 56.100 0.039 0.000 0.951 216 R CB -0.282 30.045 30.300 0.046 0.000 0.851 216 R HN 0.124 nan 8.270 nan 0.000 0.434 217 A N 0.148 122.984 122.820 0.027 0.000 1.940 217 A HA -0.210 4.111 4.320 0.000 0.000 0.219 217 A C 1.999 179.542 177.584 -0.068 0.000 1.176 217 A CA 1.443 53.479 52.037 -0.002 0.000 0.631 217 A CB -0.767 18.178 19.000 -0.091 0.000 0.814 217 A HN 0.548 nan 8.150 nan 0.000 0.446 218 F N 0.585 120.348 119.950 -0.312 0.000 2.128 218 F HA -0.071 4.456 4.527 0.000 0.000 0.295 218 F C 2.203 177.761 175.800 -0.403 0.000 1.100 218 F CA 1.946 59.519 58.000 -0.712 0.000 1.260 218 F CB -0.357 38.292 39.000 -0.584 0.000 1.009 218 F HN 0.349 nan 8.300 nan 0.000 0.476 219 E N 0.227 120.383 120.200 -0.074 0.000 2.048 219 E HA -0.287 4.063 4.350 0.000 0.000 0.202 219 E C 2.116 178.622 176.600 -0.157 0.000 1.021 219 E CA 2.042 58.388 56.400 -0.090 0.000 0.825 219 E CB -0.381 29.317 29.700 -0.003 0.000 0.756 219 E HN 0.544 nan 8.360 nan 0.000 0.454 220 E N 0.316 120.464 120.200 -0.088 0.000 2.070 220 E HA -0.260 4.091 4.350 0.000 0.000 0.197 220 E C 2.123 178.677 176.600 -0.077 0.000 1.004 220 E CA 1.117 57.500 56.400 -0.027 0.000 0.805 220 E CB -0.212 29.538 29.700 0.084 0.000 0.744 220 E HN 0.279 nan 8.360 nan 0.000 0.451 221 A N 1.305 123.999 122.820 -0.211 0.000 1.873 221 A HA 0.005 4.325 4.320 0.000 0.000 0.215 221 A C 2.316 179.665 177.584 -0.391 0.000 1.186 221 A CA 1.644 53.514 52.037 -0.279 0.000 0.616 221 A CB -0.371 18.242 19.000 -0.645 0.000 0.823 221 A HN 0.280 nan 8.150 nan 0.000 0.442 222 A N -1.825 120.612 122.820 -0.637 0.000 2.132 222 A HA 0.448 4.768 4.320 0.000 0.000 0.213 222 A C 1.862 179.273 177.584 -0.287 0.000 1.154 222 A CA 1.362 53.062 52.037 -0.560 0.000 0.753 222 A CB -1.018 17.428 19.000 -0.925 0.000 0.826 222 A HN 1.956 nan 8.150 nan 0.000 0.469 223 G N 0.004 108.673 108.800 -0.220 0.000 2.556 223 G HA2 -0.385 3.575 3.960 0.000 0.000 0.283 223 G HA3 -0.385 3.575 3.960 0.000 0.000 0.283 223 G C 1.481 176.329 174.900 -0.087 0.000 1.177 223 G CA 1.623 46.653 45.100 -0.116 0.000 0.978 223 G HN 1.417 nan 8.290 nan 0.000 0.554 224 S N 1.017 116.682 115.700 -0.059 0.000 2.353 224 S HA 0.269 4.739 4.470 0.000 0.000 0.222 224 S C 1.955 176.538 174.600 -0.028 0.000 1.035 224 S CA 2.187 60.367 58.200 -0.034 0.000 1.025 224 S CB -0.983 62.201 63.200 -0.026 0.000 0.902 224 S HN 2.372 nan 8.310 nan 0.000 0.440 225 A N 1.555 124.350 122.820 -0.041 0.000 2.521 225 A HA 0.131 4.451 4.320 0.000 0.000 0.237 225 A C 1.029 178.622 177.584 0.014 0.000 1.087 225 A CA 0.198 52.222 52.037 -0.022 0.000 0.777 225 A CB -0.085 18.892 19.000 -0.038 0.000 1.035 225 A HN 0.552 nan 8.150 nan 0.000 0.510 226 E N -0.951 119.281 120.200 0.054 0.000 2.474 226 E HA 0.112 4.462 4.350 0.000 0.000 0.195 226 E C -0.344 176.374 176.600 0.196 0.000 1.039 226 E CA 0.261 56.733 56.400 0.120 0.000 0.881 226 E CB 0.324 30.063 29.700 0.065 0.000 0.970 226 E HN 0.674 nan 8.360 nan 0.000 0.486 227 T N -0.235 114.395 114.554 0.126 0.000 2.864 227 T HA 0.424 4.774 4.350 0.000 0.000 0.299 227 T C -1.161 173.535 174.700 -0.005 0.000 1.166 227 T CA -0.562 61.625 62.100 0.145 0.000 1.007 227 T CB 1.567 70.484 68.868 0.082 0.000 1.219 227 T HN -0.043 nan 8.240 nan 0.000 0.506 228 L N 2.784 124.005 121.223 -0.003 0.000 2.287 228 L HA 0.523 4.863 4.340 0.000 0.000 0.287 228 L C 0.547 177.393 176.870 -0.040 0.000 1.022 228 L CA -0.622 54.140 54.840 -0.131 0.000 0.814 228 L CB 1.661 43.611 42.059 -0.180 0.000 1.217 228 L HN 0.816 nan 8.230 nan 0.000 0.420 229 S N 2.173 117.843 115.700 -0.050 0.000 2.632 229 S HA 0.215 4.685 4.470 0.000 0.000 0.271 229 S C 1.162 175.756 174.600 -0.009 0.000 1.260 229 S CA -0.875 57.315 58.200 -0.018 0.000 1.010 229 S CB 1.907 65.095 63.200 -0.020 0.000 0.965 229 S HN 0.341 nan 8.310 nan 0.000 0.534 230 V N 1.888 121.805 119.914 0.005 0.000 2.439 230 V HA -0.188 3.932 4.120 0.000 0.000 0.253 230 V C 2.505 178.608 176.094 0.014 0.000 1.074 230 V CA 2.324 64.632 62.300 0.013 0.000 1.076 230 V CB -1.024 30.807 31.823 0.014 0.000 0.664 230 V HN 0.914 nan 8.190 nan 0.000 0.461 231 E N -0.334 119.870 120.200 0.006 0.000 2.170 231 E HA -0.097 4.253 4.350 0.000 0.000 0.191 231 E C 2.198 178.805 176.600 0.011 0.000 0.981 231 E CA 0.453 56.858 56.400 0.009 0.000 0.830 231 E CB -0.383 29.318 29.700 0.001 0.000 0.775 231 E HN 0.506 nan 8.360 nan 0.000 0.470 232 R N 0.330 120.825 120.500 -0.008 0.000 2.148 232 R HA 0.038 4.378 4.340 0.000 0.000 0.223 232 R C 2.241 178.548 176.300 0.012 0.000 1.088 232 R CA 0.334 56.419 56.100 -0.025 0.000 0.985 232 R CB -0.292 29.955 30.300 -0.090 0.000 0.880 232 R HN 0.145 nan 8.270 nan 0.000 0.451 233 L N 0.471 121.710 121.223 0.025 0.000 2.095 233 L HA -0.046 4.294 4.340 0.000 0.000 0.204 233 L C 2.113 179.077 176.870 0.158 0.000 1.080 233 L CA 1.321 56.214 54.840 0.088 0.000 0.759 233 L CB -0.457 41.633 42.059 0.051 0.000 0.914 233 L HN -0.199 nan 8.230 nan 0.000 0.439 234 V N -0.267 119.702 119.914 0.093 0.000 2.287 234 V HA -0.332 3.788 4.120 0.000 0.000 0.248 234 V C 2.459 178.615 176.094 0.104 0.000 1.053 234 V CA 2.335 64.685 62.300 0.082 0.000 1.027 234 V CB -1.188 30.663 31.823 0.048 0.000 0.646 234 V HN 0.548 nan 8.190 nan 0.000 0.447 235 T N -0.002 114.616 114.554 0.106 0.000 2.803 235 T HA -0.204 4.147 4.350 0.000 0.000 0.269 235 T C 1.630 176.450 174.700 0.199 0.000 1.052 235 T CA 1.885 64.055 62.100 0.116 0.000 1.136 235 T CB -0.391 68.526 68.868 0.081 0.000 0.864 235 T HN 0.470 nan 8.240 nan 0.000 0.467 236 F N 1.901 121.903 119.950 0.086 0.000 2.084 236 F HA 0.066 4.593 4.527 0.000 0.000 0.296 236 F C 1.909 177.793 175.800 0.140 0.000 1.111 236 F CA 0.898 58.982 58.000 0.140 0.000 1.224 236 F CB -0.593 38.494 39.000 0.144 0.000 0.991 236 F HN 0.014 nan 8.300 nan 0.000 0.471 237 L N 0.023 121.316 121.223 0.117 0.000 2.043 237 L HA -0.283 4.057 4.340 0.000 0.000 0.212 237 L C 2.422 179.263 176.870 -0.049 0.000 1.075 237 L CA 1.825 56.667 54.840 0.002 0.000 0.752 237 L CB -0.950 41.151 42.059 0.069 0.000 0.891 237 L HN 0.323 nan 8.230 nan 0.000 0.432 238 Q N -1.539 118.267 119.800 0.009 0.000 2.036 238 Q HA -0.160 4.180 4.340 0.000 0.000 0.195 238 Q C 2.229 178.235 176.000 0.011 0.000 0.971 238 Q CA 1.079 56.889 55.803 0.011 0.000 0.826 238 Q CB -0.326 28.438 28.738 0.043 0.000 0.896 238 Q HN 0.544 nan 8.270 nan 0.000 0.449 239 H N 0.171 119.203 119.070 -0.062 0.000 2.357 239 H HA -0.068 4.488 4.556 0.000 0.000 0.301 239 H C 1.827 177.083 175.328 -0.121 0.000 1.082 239 H CA 1.153 57.163 56.048 -0.063 0.000 1.342 239 H CB 0.653 30.407 29.762 -0.013 0.000 1.389 239 H HN 0.188 nan 8.280 nan 0.000 0.511 240 Q N 0.037 119.641 119.800 -0.327 0.000 2.141 240 Q HA -0.029 4.311 4.340 0.000 0.000 0.194 240 Q C 2.259 177.988 176.000 -0.452 0.000 0.975 240 Q CA 0.611 56.120 55.803 -0.490 0.000 0.834 240 Q CB -0.090 28.242 28.738 -0.676 0.000 0.916 240 Q HN 0.528 nan 8.270 nan 0.000 0.484 241 Q N 0.806 120.326 119.800 -0.468 0.000 2.472 241 Q HA 0.046 4.386 4.340 0.000 0.000 0.208 241 Q C -0.084 175.808 176.000 -0.180 0.000 0.958 241 Q CA 0.100 55.740 55.803 -0.271 0.000 0.932 241 Q CB 0.142 28.786 28.738 -0.156 0.000 1.007 241 Q HN 0.328 nan 8.270 nan 0.000 0.508 242 R N 1.311 121.708 120.500 -0.173 0.000 3.516 242 R HA -0.125 4.215 4.340 0.000 0.000 0.271 242 R C -0.699 175.554 176.300 -0.079 0.000 1.098 242 R CA 0.532 56.563 56.100 -0.116 0.000 0.732 242 R CB -1.957 28.264 30.300 -0.133 0.000 1.152 242 R HN 0.332 nan 8.270 nan 0.000 0.455 243 E N 1.339 121.504 120.200 -0.058 0.000 2.360 243 E HA 0.025 4.376 4.350 0.000 0.000 0.269 243 E C 1.230 177.816 176.600 -0.025 0.000 1.022 243 E CA -0.102 56.277 56.400 -0.034 0.000 0.887 243 E CB 0.665 30.361 29.700 -0.006 0.000 0.990 243 E HN 0.190 nan 8.360 nan 0.000 0.426 244 E N 2.185 122.369 120.200 -0.026 0.000 2.076 244 E HA -0.118 4.233 4.350 0.000 0.000 0.190 244 E C 0.596 177.192 176.600 -0.005 0.000 0.979 244 E CA 0.651 57.042 56.400 -0.016 0.000 0.807 244 E CB 0.199 29.887 29.700 -0.019 0.000 0.761 244 E HN 0.505 nan 8.360 nan 0.000 0.454 245 E N 1.174 121.372 120.200 -0.004 0.000 2.382 245 E HA 0.129 4.480 4.350 0.000 0.000 0.190 245 E C -0.026 176.580 176.600 0.011 0.000 1.125 245 E CA -0.360 56.043 56.400 0.005 0.000 0.929 245 E CB 0.064 29.768 29.700 0.007 0.000 1.053 245 E HN 0.092 nan 8.360 nan 0.000 0.475 246 A N 1.125 123.950 122.820 0.009 0.000 2.540 246 A HA 0.416 4.736 4.320 0.000 0.000 0.239 246 A C 0.725 178.320 177.584 0.018 0.000 1.061 246 A CA 0.917 52.964 52.037 0.016 0.000 0.758 246 A CB 0.363 19.372 19.000 0.015 0.000 0.991 246 A HN 0.292 nan 8.150 nan 0.000 0.502 247 G N 1.766 110.579 108.800 0.023 0.000 2.347 247 G HA2 0.401 4.362 3.960 0.000 0.000 0.303 247 G HA3 0.401 4.362 3.960 0.000 0.000 0.303 247 G C -2.224 172.689 174.900 0.022 0.000 1.481 247 G CA 0.023 45.135 45.100 0.021 0.000 0.914 247 G HN 0.411 nan 8.290 nan 0.000 0.638 248 P HA -0.138 nan 4.420 nan 0.000 0.217 248 P C 2.065 179.376 177.300 0.017 0.000 1.151 248 P CA 2.621 65.731 63.100 0.018 0.000 0.849 248 P CB -0.015 31.694 31.700 0.014 0.000 0.787 249 A N -0.380 122.450 122.820 0.016 0.000 1.892 249 A HA -0.206 4.114 4.320 0.000 0.000 0.218 249 A C 2.224 179.818 177.584 0.018 0.000 1.188 249 A CA 1.926 53.972 52.037 0.016 0.000 0.631 249 A CB -1.677 17.333 19.000 0.015 0.000 0.822 249 A HN 0.196 nan 8.150 nan 0.000 0.447 250 L N -0.294 120.942 121.223 0.022 0.000 1.988 250 L HA -0.032 4.308 4.340 0.000 0.000 0.207 250 L C 2.802 179.685 176.870 0.021 0.000 1.071 250 L CA 2.337 57.193 54.840 0.026 0.000 0.744 250 L CB -1.359 40.717 42.059 0.029 0.000 0.893 250 L HN 0.384 nan 8.230 nan 0.000 0.433 251 A N -0.637 122.195 122.820 0.019 0.000 1.958 251 A HA -0.255 4.066 4.320 0.000 0.000 0.221 251 A C 2.324 179.920 177.584 0.019 0.000 1.178 251 A CA 2.398 54.445 52.037 0.016 0.000 0.642 251 A CB -0.993 18.023 19.000 0.027 0.000 0.816 251 A HN 0.537 nan 8.150 nan 0.000 0.453 252 L N 0.011 121.246 121.223 0.019 0.000 2.109 252 L HA -0.139 4.201 4.340 0.000 0.000 0.207 252 L C 2.984 179.861 176.870 0.011 0.000 1.086 252 L CA 1.403 56.253 54.840 0.016 0.000 0.760 252 L CB -0.341 41.725 42.059 0.013 0.000 0.910 252 L HN 0.559 nan 8.230 nan 0.000 0.437 253 S N -0.031 115.674 115.700 0.008 0.000 2.383 253 S HA -0.126 4.345 4.470 0.000 0.000 0.227 253 S C 1.950 176.538 174.600 -0.020 0.000 1.026 253 S CA 0.810 59.005 58.200 -0.009 0.000 0.981 253 S CB -0.682 62.519 63.200 0.002 0.000 0.818 253 S HN 0.297 nan 8.310 nan 0.000 0.472 254 L N 1.017 122.260 121.223 0.035 0.000 1.989 254 L HA -0.090 4.250 4.340 0.000 0.000 0.211 254 L C 2.634 179.576 176.870 0.120 0.000 1.071 254 L CA 1.508 56.424 54.840 0.127 0.000 0.749 254 L CB -0.749 41.351 42.059 0.068 0.000 0.890 254 L HN 0.285 nan 8.230 nan 0.000 0.431 255 I N -0.177 120.439 120.570 0.077 0.000 2.163 255 I HA -0.298 3.873 4.170 0.000 0.000 0.243 255 I C 2.663 178.803 176.117 0.038 0.000 1.085 255 I CA 1.356 62.705 61.300 0.081 0.000 1.347 255 I CB -0.263 37.773 38.000 0.060 0.000 1.044 255 I HN 0.298 nan 8.210 nan 0.000 0.408 256 E N 1.458 121.656 120.200 -0.004 0.000 2.038 256 E HA -0.275 4.075 4.350 0.000 0.000 0.195 256 E C 2.234 178.784 176.600 -0.083 0.000 1.000 256 E CA 1.703 58.085 56.400 -0.031 0.000 0.803 256 E CB -0.177 29.501 29.700 -0.037 0.000 0.750 256 E HN 0.175 nan 8.360 nan 0.000 0.448 257 R N -1.798 118.585 120.500 -0.196 0.000 2.081 257 R HA -0.116 4.224 4.340 0.000 0.000 0.235 257 R C 1.543 177.556 176.300 -0.479 0.000 1.131 257 R CA 1.850 57.679 56.100 -0.452 0.000 0.960 257 R CB -0.158 29.639 30.300 -0.837 0.000 0.856 257 R HN 0.321 nan 8.270 nan 0.000 0.436 258 Y N -1.185 119.167 120.300 0.087 0.000 2.444 258 Y HA 0.243 4.793 4.550 0.000 0.000 0.252 258 Y C 0.058 176.011 175.900 0.089 0.000 1.091 258 Y CA -0.573 57.587 58.100 0.100 0.000 1.276 258 Y CB 0.069 38.622 38.460 0.154 0.000 1.170 258 Y HN -0.075 nan 8.280 nan 0.000 0.517 259 E N 4.110 124.426 120.200 0.193 0.000 2.328 259 E HA 0.033 4.383 4.350 0.000 0.000 0.265 259 E C -1.794 174.867 176.600 0.101 0.000 1.057 259 E CA -1.859 54.626 56.400 0.142 0.000 0.916 259 E CB 0.774 30.540 29.700 0.109 0.000 0.993 259 E HN 0.083 nan 8.360 nan 0.000 0.446 260 P HA -0.064 nan 4.420 nan 0.000 0.219 260 P C 0.106 177.436 177.300 0.050 0.000 1.154 260 P CA 0.364 63.505 63.100 0.069 0.000 0.826 260 P CB 0.173 31.911 31.700 0.064 0.000 0.795 261 S N 0.914 116.643 115.700 0.048 0.000 2.457 261 S HA 0.031 4.501 4.470 0.000 0.000 0.294 261 S C 1.350 175.971 174.600 0.035 0.000 1.201 261 S CA -0.294 57.928 58.200 0.037 0.000 1.112 261 S CB -0.101 63.120 63.200 0.035 0.000 1.018 261 S HN -0.164 nan 8.310 nan 0.000 0.511 262 E N 3.896 124.113 120.200 0.028 0.000 2.147 262 E HA -0.128 4.222 4.350 0.000 0.000 0.199 262 E C 1.924 178.538 176.600 0.022 0.000 1.005 262 E CA 2.170 58.584 56.400 0.024 0.000 0.810 262 E CB -0.694 29.018 29.700 0.019 0.000 0.736 262 E HN 0.930 nan 8.360 nan 0.000 0.460 263 T N -0.550 114.017 114.554 0.022 0.000 2.668 263 T HA -0.016 4.334 4.350 0.000 0.000 0.258 263 T C 2.043 176.757 174.700 0.024 0.000 1.051 263 T CA 1.519 63.631 62.100 0.020 0.000 1.155 263 T CB -0.780 68.099 68.868 0.018 0.000 0.864 263 T HN 0.217 nan 8.240 nan 0.000 0.413 264 A N 1.974 124.812 122.820 0.030 0.000 1.948 264 A HA -0.186 4.134 4.320 0.000 0.000 0.220 264 A C 2.298 179.905 177.584 0.037 0.000 1.177 264 A CA 2.262 54.321 52.037 0.036 0.000 0.636 264 A CB -0.825 18.204 19.000 0.047 0.000 0.815 264 A HN 0.535 nan 8.150 nan 0.000 0.449 265 K N -0.471 119.952 120.400 0.038 0.000 1.977 265 K HA -0.145 4.175 4.320 0.000 0.000 0.218 265 K C 2.219 178.835 176.600 0.026 0.000 1.051 265 K CA 1.663 57.971 56.287 0.035 0.000 0.953 265 K CB -0.482 32.037 32.500 0.031 0.000 0.727 265 K HN 0.371 nan 8.250 nan 0.000 0.445 266 A N 0.765 123.597 122.820 0.021 0.000 1.958 266 A HA -0.246 4.074 4.320 0.000 0.000 0.221 266 A C 1.615 179.208 177.584 0.016 0.000 1.178 266 A CA 1.845 53.892 52.037 0.016 0.000 0.642 266 A CB -0.528 18.480 19.000 0.014 0.000 0.816 266 A HN 0.554 nan 8.150 nan 0.000 0.453 267 Q N -1.056 118.756 119.800 0.019 0.000 2.253 267 Q HA 0.187 4.527 4.340 0.000 0.000 0.210 267 Q C -0.608 175.403 176.000 0.019 0.000 0.907 267 Q CA -0.298 55.516 55.803 0.018 0.000 0.948 267 Q CB 0.086 28.835 28.738 0.018 0.000 1.033 267 Q HN 0.585 nan 8.270 nan 0.000 0.471 268 R N 1.224 121.736 120.500 0.021 0.000 3.251 268 R HA -0.214 4.126 4.340 0.000 0.000 0.249 268 R C -0.785 175.531 176.300 0.026 0.000 0.949 268 R CA 0.695 56.808 56.100 0.022 0.000 0.645 268 R CB -1.822 28.488 30.300 0.016 0.000 1.065 268 R HN 0.442 nan 8.270 nan 0.000 0.452 269 Q N 0.014 119.836 119.800 0.037 0.000 2.416 269 Q HA 0.579 4.919 4.340 0.000 0.000 0.281 269 Q C -0.819 175.226 176.000 0.074 0.000 1.067 269 Q CA -0.938 54.893 55.803 0.046 0.000 0.809 269 Q CB 2.705 31.469 28.738 0.042 0.000 1.418 269 Q HN 0.253 nan 8.270 nan 0.000 0.411 270 M N 1.643 121.304 119.600 0.101 0.000 2.311 270 M HA 0.458 4.938 4.480 0.000 0.000 0.325 270 M C -0.693 175.744 176.300 0.229 0.000 1.061 270 M CA -0.302 55.095 55.300 0.161 0.000 0.957 270 M CB 1.919 34.634 32.600 0.192 0.000 1.646 270 M HN 0.838 nan 8.290 nan 0.000 0.434 271 T N 0.729 115.384 114.554 0.168 0.000 2.862 271 T HA 0.334 4.684 4.350 0.000 0.000 0.276 271 T C 0.812 175.429 174.700 -0.138 0.000 0.974 271 T CA -0.747 61.395 62.100 0.070 0.000 0.966 271 T CB 1.295 70.165 68.868 0.003 0.000 1.072 271 T HN 0.877 nan 8.240 nan 0.000 0.538 272 K N -0.054 119.942 120.400 -0.674 0.000 2.097 272 K HA -0.159 4.161 4.320 0.000 0.000 0.206 272 K C 1.454 177.906 176.600 -0.247 0.000 1.049 272 K CA 1.607 57.304 56.287 -0.982 0.000 0.933 272 K CB -0.244 31.676 32.500 -0.967 0.000 0.717 272 K HN 0.548 nan 8.250 nan 0.000 0.442 273 D N -0.496 119.821 120.400 -0.138 0.000 2.097 273 D HA -0.114 4.526 4.640 0.000 0.000 0.195 273 D C 1.801 178.135 176.300 0.055 0.000 0.989 273 D CA 1.444 55.428 54.000 -0.026 0.000 0.827 273 D CB -0.513 40.283 40.800 -0.006 0.000 0.966 273 D HN 0.405 nan 8.370 nan 0.000 0.456 274 G N -0.183 108.679 108.800 0.104 0.000 2.422 274 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 274 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 274 G C 1.443 176.502 174.900 0.266 0.000 1.140 274 G CA 0.144 45.356 45.100 0.188 0.000 0.775 274 G HN 0.196 nan 8.290 nan 0.000 0.545 275 F N 0.895 120.906 119.950 0.103 0.000 2.134 275 F HA 0.005 4.532 4.527 0.000 0.000 0.299 275 F C 2.230 178.117 175.800 0.145 0.000 1.097 275 F CA 1.074 59.183 58.000 0.182 0.000 1.264 275 F CB -0.299 38.822 39.000 0.202 0.000 1.001 275 F HN 0.117 nan 8.300 nan 0.000 0.479 276 L N -0.268 120.986 121.223 0.053 0.000 2.056 276 L HA -0.167 4.173 4.340 0.000 0.000 0.207 276 L C 2.238 179.037 176.870 -0.119 0.000 1.078 276 L CA 1.566 56.345 54.840 -0.102 0.000 0.749 276 L CB -0.891 41.123 42.059 -0.075 0.000 0.901 276 L HN 0.127 nan 8.230 nan 0.000 0.433 277 M N -1.130 118.447 119.600 -0.038 0.000 2.073 277 M HA -0.272 4.208 4.480 0.000 0.000 0.258 277 M C 2.337 178.468 176.300 -0.282 0.000 1.070 277 M CA 1.929 57.195 55.300 -0.058 0.000 1.103 277 M CB -1.338 31.326 32.600 0.107 0.000 1.321 277 M HN 0.511 nan 8.290 nan 0.000 0.405 278 Y N 0.619 120.694 120.300 -0.375 0.000 2.097 278 Y HA -0.203 4.347 4.550 0.000 0.000 0.282 278 Y C 2.023 177.692 175.900 -0.384 0.000 1.152 278 Y CA 1.782 59.510 58.100 -0.620 0.000 1.136 278 Y CB -0.889 37.469 38.460 -0.170 0.000 0.975 278 Y HN 0.203 nan 8.280 nan 0.000 0.498 279 L N -0.053 120.778 121.223 -0.653 0.000 2.191 279 L HA -0.194 4.147 4.340 0.000 0.000 0.212 279 L C 2.000 178.823 176.870 -0.080 0.000 1.103 279 L CA 1.057 55.595 54.840 -0.504 0.000 0.769 279 L CB -0.382 41.508 42.059 -0.282 0.000 0.908 279 L HN 0.344 nan 8.230 nan 0.000 0.438 280 L N -1.208 119.899 121.223 -0.193 0.000 2.607 280 L HA 0.093 4.433 4.340 0.000 0.000 0.228 280 L C 1.423 178.256 176.870 -0.062 0.000 1.123 280 L CA -0.318 54.417 54.840 -0.176 0.000 0.890 280 L CB 0.085 41.987 42.059 -0.261 0.000 1.103 280 L HN 0.242 nan 8.230 nan 0.000 0.468 281 S N -0.605 114.966 115.700 -0.215 0.000 2.671 281 S HA 0.420 4.890 4.470 0.000 0.000 0.272 281 S C 1.414 175.951 174.600 -0.106 0.000 1.174 281 S CA -0.006 58.079 58.200 -0.192 0.000 1.004 281 S CB 1.586 64.468 63.200 -0.529 0.000 1.077 281 S HN 0.081 nan 8.310 nan 0.000 0.553 282 A N 0.077 122.886 122.820 -0.018 0.000 2.019 282 A HA -0.057 4.264 4.320 0.000 0.000 0.219 282 A C 1.753 179.364 177.584 0.044 0.000 1.164 282 A CA 1.542 53.577 52.037 -0.004 0.000 0.644 282 A CB -0.952 18.083 19.000 0.058 0.000 0.805 282 A HN 0.876 nan 8.150 nan 0.000 0.449 283 D N -0.854 119.598 120.400 0.086 0.000 2.249 283 D HA -0.025 4.615 4.640 0.000 0.000 0.205 283 D C 1.896 178.190 176.300 -0.010 0.000 0.962 283 D CA 1.136 55.226 54.000 0.150 0.000 0.860 283 D CB -0.048 41.000 40.800 0.412 0.000 0.955 283 D HN 0.484 nan 8.370 nan 0.000 0.505 284 G N 0.383 109.041 108.800 -0.237 0.000 2.777 284 G HA2 -0.122 3.839 3.960 0.000 0.000 0.211 284 G HA3 -0.122 3.839 3.960 0.000 0.000 0.211 284 G C 0.933 175.795 174.900 -0.064 0.000 1.149 284 G CA -0.246 44.638 45.100 -0.360 0.000 0.785 284 G HN 0.065 nan 8.290 nan 0.000 0.536 285 N N 1.194 119.908 118.700 0.024 0.000 2.357 285 N HA 0.099 4.839 4.740 0.000 0.000 0.257 285 N C 1.581 177.146 175.510 0.093 0.000 1.250 285 N CA 0.504 53.626 53.050 0.119 0.000 0.862 285 N CB 1.290 39.818 38.487 0.069 0.000 1.066 285 N HN 0.073 nan 8.380 nan 0.000 0.468 286 A N 4.484 127.371 122.820 0.110 0.000 2.070 286 A HA -0.126 4.194 4.320 0.000 0.000 0.220 286 A C 0.775 178.401 177.584 0.071 0.000 1.159 286 A CA 0.673 52.737 52.037 0.044 0.000 0.656 286 A CB -0.277 18.745 19.000 0.037 0.000 0.800 286 A HN 0.621 nan 8.150 nan 0.000 0.453 287 F N 1.173 121.137 119.950 0.024 0.000 2.390 287 F HA 0.417 4.945 4.527 0.000 0.000 0.361 287 F C 0.919 176.708 175.800 -0.019 0.000 1.124 287 F CA -1.028 56.983 58.000 0.019 0.000 1.149 287 F CB 0.635 39.666 39.000 0.052 0.000 1.160 287 F HN -0.000 nan 8.300 nan 0.000 0.501 288 S N 6.672 122.333 115.700 -0.064 0.000 2.998 288 S HA -0.106 4.364 4.470 0.000 0.000 0.348 288 S C 1.406 176.071 174.600 0.108 0.000 1.210 288 S CA -0.406 57.743 58.200 -0.085 0.000 1.118 288 S CB -0.227 62.710 63.200 -0.439 0.000 0.832 288 S HN 0.822 nan 8.310 nan 0.000 0.516 289 L N 6.738 128.010 121.223 0.081 0.000 2.079 289 L HA -0.014 4.326 4.340 0.000 0.000 0.210 289 L C 2.404 179.319 176.870 0.076 0.000 1.081 289 L CA 2.584 57.485 54.840 0.102 0.000 0.752 289 L CB -1.382 40.726 42.059 0.081 0.000 0.896 289 L HN 0.829 nan 8.230 nan 0.000 0.433 290 A N -1.352 121.451 122.820 -0.029 0.000 1.940 290 A HA -0.251 4.069 4.320 0.000 0.000 0.219 290 A C 1.988 179.575 177.584 0.005 0.000 1.176 290 A CA 1.829 53.831 52.037 -0.059 0.000 0.631 290 A CB -0.975 17.907 19.000 -0.196 0.000 0.814 290 A HN 0.676 nan 8.150 nan 0.000 0.446 291 H N -0.638 118.349 119.070 -0.138 0.000 2.556 291 H HA 0.132 4.688 4.556 0.000 0.000 0.268 291 H C 0.990 176.491 175.328 0.289 0.000 0.996 291 H CA 0.486 56.477 56.048 -0.094 0.000 1.157 291 H CB -0.071 29.656 29.762 -0.059 0.000 1.355 291 H HN 0.475 nan 8.280 nan 0.000 0.597 292 R N 1.232 121.941 120.500 0.348 0.000 2.752 292 R HA 0.166 4.506 4.340 0.000 0.000 0.279 292 R C 0.008 176.441 176.300 0.222 0.000 1.212 292 R CA -0.110 56.153 56.100 0.271 0.000 1.169 292 R CB 0.194 30.591 30.300 0.162 0.000 1.286 292 R HN 0.308 nan 8.270 nan 0.000 0.564 293 R N -2.722 117.952 120.500 0.289 0.000 2.680 293 R HA 0.297 4.637 4.340 0.000 0.000 0.269 293 R C -1.070 175.428 176.300 0.330 0.000 1.026 293 R CA -0.940 55.309 56.100 0.248 0.000 0.889 293 R CB 0.974 31.389 30.300 0.193 0.000 1.241 293 R HN -0.192 nan 8.270 nan 0.000 0.463 294 V N 3.463 123.522 119.914 0.242 0.000 2.493 294 V HA 0.008 4.129 4.120 0.000 0.000 0.292 294 V C -0.159 176.066 176.094 0.218 0.000 1.016 294 V CA 0.559 62.974 62.300 0.191 0.000 1.097 294 V CB -0.556 31.384 31.823 0.194 0.000 0.947 294 V HN 0.898 nan 8.190 nan 0.000 0.479 295 Y N 1.905 122.256 120.300 0.085 0.000 2.666 295 Y HA 0.501 5.051 4.550 0.000 0.000 0.260 295 Y C 0.532 176.456 175.900 0.040 0.000 1.089 295 Y CA -0.777 57.366 58.100 0.072 0.000 1.246 295 Y CB -0.134 38.386 38.460 0.099 0.000 1.353 295 Y HN 0.484 nan 8.280 nan 0.000 0.558 296 Q N 1.208 120.692 119.800 -0.527 0.000 2.180 296 Q HA 0.144 4.484 4.340 0.000 0.000 0.241 296 Q C -0.874 175.053 176.000 -0.122 0.000 0.970 296 Q CA -0.964 54.612 55.803 -0.379 0.000 0.919 296 Q CB 0.879 29.321 28.738 -0.494 0.000 1.222 296 Q HN 0.139 nan 8.270 nan 0.000 0.482 297 D N 1.462 121.821 120.400 -0.069 0.000 2.357 297 D HA -0.023 4.617 4.640 0.000 0.000 0.265 297 D C -0.090 176.250 176.300 0.067 0.000 1.334 297 D CA 0.181 54.176 54.000 -0.007 0.000 0.984 297 D CB 0.539 41.328 40.800 -0.018 0.000 1.077 297 D HN 0.337 nan 8.370 nan 0.000 0.514 298 M N 2.390 122.000 119.600 0.017 0.000 2.608 298 M HA 0.081 4.561 4.480 0.000 0.000 0.224 298 M C 0.178 176.440 176.300 -0.063 0.000 1.204 298 M CA 0.081 55.333 55.300 -0.079 0.000 0.984 298 M CB -0.085 32.395 32.600 -0.200 0.000 1.691 298 M HN 0.272 nan 8.290 nan 0.000 0.469 299 D N -0.186 120.234 120.400 0.033 0.000 2.431 299 D HA 0.126 4.766 4.640 0.000 0.000 0.213 299 D C 0.425 176.722 176.300 -0.004 0.000 1.130 299 D CA 0.131 54.125 54.000 -0.009 0.000 0.834 299 D CB 0.928 41.718 40.800 -0.016 0.000 0.985 299 D HN 0.416 nan 8.370 nan 0.000 0.504 300 Q N 1.200 121.058 119.800 0.097 0.000 2.249 300 Q HA 0.346 4.686 4.340 0.000 0.000 0.226 300 Q C -2.480 173.522 176.000 0.004 0.000 0.983 300 Q CA -1.825 53.963 55.803 -0.025 0.000 0.930 300 Q CB 0.384 29.057 28.738 -0.108 0.000 1.193 300 Q HN -0.084 nan 8.270 nan 0.000 0.508 301 P HA 0.004 nan 4.420 nan 0.000 0.271 301 P C 0.608 177.946 177.300 0.062 0.000 1.216 301 P CA 0.068 63.056 63.100 -0.188 0.000 0.776 301 P CB 0.527 32.032 31.700 -0.325 0.000 0.881 302 L N 1.790 123.063 121.223 0.082 0.000 2.085 302 L HA -0.319 4.021 4.340 0.000 0.000 0.218 302 L C 2.316 179.408 176.870 0.371 0.000 1.080 302 L CA 2.719 57.691 54.840 0.219 0.000 0.776 302 L CB -1.296 40.852 42.059 0.148 0.000 0.891 302 L HN 0.502 nan 8.230 nan 0.000 0.437 303 S N -1.856 114.016 115.700 0.287 0.000 2.488 303 S HA -0.229 4.241 4.470 0.000 0.000 0.246 303 S C 1.505 176.298 174.600 0.322 0.000 0.992 303 S CA 1.116 59.503 58.200 0.312 0.000 0.963 303 S CB -0.751 62.636 63.200 0.312 0.000 0.754 303 S HN 0.588 nan 8.310 nan 0.000 0.519 304 H N -0.979 118.123 119.070 0.053 0.000 2.539 304 H HA 0.248 4.804 4.556 0.000 0.000 0.269 304 H C -0.498 174.567 175.328 -0.438 0.000 0.980 304 H CA -0.031 55.883 56.048 -0.222 0.000 1.152 304 H CB 0.239 29.786 29.762 -0.358 0.000 1.407 304 H HN 0.468 nan 8.280 nan 0.000 0.564 305 Y N 0.445 120.808 120.300 0.106 0.000 2.509 305 Y HA 0.308 4.859 4.550 0.000 0.000 0.341 305 Y C -0.018 175.913 175.900 0.052 0.000 1.038 305 Y CA -0.932 57.206 58.100 0.063 0.000 1.089 305 Y CB 1.490 40.058 38.460 0.180 0.000 1.241 305 Y HN -0.120 nan 8.280 nan 0.000 0.468 306 L N 2.941 124.233 121.223 0.116 0.000 2.326 306 L HA 0.500 4.840 4.340 0.000 0.000 0.278 306 L C -0.802 176.240 176.870 0.286 0.000 1.092 306 L CA -0.773 54.117 54.840 0.084 0.000 0.810 306 L CB 0.763 42.631 42.059 -0.319 0.000 1.153 306 L HN 0.335 nan 8.230 nan 0.000 0.439 307 V N 1.897 121.952 119.914 0.234 0.000 2.495 307 V HA 0.200 4.320 4.120 0.000 0.000 0.298 307 V C 0.224 176.151 176.094 -0.279 0.000 1.031 307 V CA -0.634 61.590 62.300 -0.127 0.000 0.871 307 V CB 1.796 33.533 31.823 -0.144 0.000 0.988 307 V HN 0.792 nan 8.190 nan 0.000 0.432 308 S N 3.614 118.778 115.700 -0.893 0.000 2.465 308 S HA 0.382 4.852 4.470 0.000 0.000 0.280 308 S C 0.097 174.575 174.600 -0.204 0.000 1.232 308 S CA -0.274 57.422 58.200 -0.840 0.000 1.066 308 S CB -0.142 62.489 63.200 -0.948 0.000 0.929 308 S HN 0.853 nan 8.310 nan 0.000 0.494 309 S N 3.642 119.421 115.700 0.132 0.000 2.536 309 S HA 0.608 5.079 4.470 0.000 0.000 0.287 309 S C -0.666 173.901 174.600 -0.055 0.000 1.101 309 S CA -0.923 57.288 58.200 0.017 0.000 0.950 309 S CB 1.808 65.084 63.200 0.127 0.000 1.056 309 S HN 0.788 nan 8.310 nan 0.000 0.481 310 S N 1.538 117.067 115.700 -0.285 0.000 2.537 310 S HA 0.486 4.957 4.470 0.000 0.000 0.301 310 S C -0.829 173.720 174.600 -0.086 0.000 1.092 310 S CA -0.672 57.333 58.200 -0.324 0.000 1.048 310 S CB 0.973 63.748 63.200 -0.709 0.000 1.053 310 S HN 0.828 nan 8.310 nan 0.000 0.501 311 H N 2.944 121.940 119.070 -0.122 0.000 2.458 311 H HA 0.278 4.834 4.556 0.000 0.000 0.330 311 H C -0.269 174.929 175.328 -0.218 0.000 1.111 311 H CA -0.017 55.971 56.048 -0.100 0.000 1.245 311 H CB 0.395 30.139 29.762 -0.030 0.000 1.456 311 H HN 0.883 nan 8.280 nan 0.000 0.488 312 N N 3.618 121.835 118.700 -0.805 0.000 2.699 312 N HA -0.177 4.563 4.740 0.000 0.000 0.256 312 N C 0.967 175.923 175.510 -0.923 0.000 0.993 312 N CA 1.275 53.783 53.050 -0.903 0.000 0.759 312 N CB -1.253 36.552 38.487 -1.136 0.000 0.906 312 N HN 0.717 nan 8.380 nan 0.000 0.541 313 T N -1.449 112.759 114.554 -0.578 0.000 2.751 313 T HA -0.290 4.060 4.350 0.000 0.000 0.268 313 T C 1.553 175.695 174.700 -0.929 0.000 1.045 313 T CA 2.015 63.705 62.100 -0.683 0.000 1.142 313 T CB -0.453 68.031 68.868 -0.641 0.000 0.851 313 T HN 0.709 nan 8.240 nan 0.000 0.474 314 Y N 0.944 120.844 120.300 -0.666 0.000 2.483 314 Y HA 0.301 4.851 4.550 0.000 0.000 0.291 314 Y C 0.828 176.601 175.900 -0.212 0.000 1.143 314 Y CA -0.457 57.391 58.100 -0.421 0.000 1.289 314 Y CB -1.107 37.372 38.460 0.032 0.000 0.983 314 Y HN 0.144 nan 8.280 nan 0.000 0.556 315 L N 1.569 122.422 121.223 -0.616 0.000 2.349 315 L HA 0.157 4.497 4.340 0.000 0.000 0.275 315 L C 0.854 177.601 176.870 -0.205 0.000 1.115 315 L CA -0.268 54.381 54.840 -0.319 0.000 0.820 315 L CB 1.447 43.271 42.059 -0.392 0.000 1.135 315 L HN 0.256 nan 8.230 nan 0.000 0.445 316 L N 1.687 122.851 121.223 -0.097 0.000 2.463 316 L HA 0.147 4.487 4.340 0.000 0.000 0.219 316 L C 1.045 177.881 176.870 -0.056 0.000 1.088 316 L CA 0.623 55.420 54.840 -0.072 0.000 0.849 316 L CB 0.189 42.227 42.059 -0.035 0.000 1.012 316 L HN 0.748 nan 8.230 nan 0.000 0.468 317 E N -0.945 119.230 120.200 -0.042 0.000 4.551 317 E HA 0.097 4.447 4.350 0.000 0.000 0.175 317 E C -0.728 175.862 176.600 -0.016 0.000 1.154 317 E CA -0.700 55.685 56.400 -0.024 0.000 0.860 317 E CB 0.188 29.886 29.700 -0.003 0.000 2.083 317 E HN 0.092 nan 8.360 nan 0.000 0.446 318 D N 0.784 121.193 120.400 0.016 0.000 2.377 318 D HA -0.016 4.624 4.640 0.000 0.000 0.245 318 D C 0.457 176.801 176.300 0.073 0.000 1.196 318 D CA -0.074 53.950 54.000 0.040 0.000 0.962 318 D CB 0.860 41.694 40.800 0.057 0.000 1.127 318 D HN 0.150 nan 8.370 nan 0.000 0.471 319 Q N -0.193 119.677 119.800 0.118 0.000 2.403 319 Q HA 0.128 4.468 4.340 0.000 0.000 0.203 319 Q C 1.682 177.891 176.000 0.348 0.000 0.932 319 Q CA 0.340 56.289 55.803 0.244 0.000 0.945 319 Q CB 0.403 29.300 28.738 0.265 0.000 1.045 319 Q HN 0.555 nan 8.270 nan 0.000 0.511 320 L N -0.711 120.642 121.223 0.216 0.000 2.445 320 L HA 0.095 4.436 4.340 0.000 0.000 0.207 320 L C 1.653 178.668 176.870 0.241 0.000 1.053 320 L CA 1.481 56.445 54.840 0.207 0.000 0.841 320 L CB 0.211 42.369 42.059 0.166 0.000 1.074 320 L HN 0.168 nan 8.230 nan 0.000 0.479 321 T N -4.212 110.449 114.554 0.179 0.000 3.186 321 T HA 0.214 4.564 4.350 0.000 0.000 0.292 321 T C 0.851 175.624 174.700 0.122 0.000 0.915 321 T CA 0.235 62.437 62.100 0.169 0.000 0.902 321 T CB 0.060 68.974 68.868 0.078 0.000 1.192 321 T HN 0.096 nan 8.240 nan 0.000 0.563 322 G N 3.100 111.964 108.800 0.107 0.000 2.684 322 G HA2 0.531 4.491 3.960 0.000 0.000 0.255 322 G HA3 0.531 4.491 3.960 0.000 0.000 0.255 322 G C -2.585 172.370 174.900 0.093 0.000 1.219 322 G CA -1.034 44.111 45.100 0.076 0.000 0.901 322 G HN 0.288 nan 8.290 nan 0.000 0.548 323 P HA 0.322 nan 4.420 nan 0.000 0.278 323 P C -0.622 176.733 177.300 0.092 0.000 1.258 323 P CA -0.417 62.730 63.100 0.078 0.000 0.811 323 P CB 1.652 33.382 31.700 0.049 0.000 1.063 324 S N -0.179 115.599 115.700 0.129 0.000 2.568 324 S HA 0.682 5.153 4.470 0.000 0.000 0.302 324 S C -0.483 174.192 174.600 0.125 0.000 1.082 324 S CA -0.388 57.919 58.200 0.178 0.000 1.009 324 S CB 1.165 64.553 63.200 0.312 0.000 1.069 324 S HN 0.635 nan 8.310 nan 0.000 0.500 325 S N -0.033 115.739 115.700 0.120 0.000 2.565 325 S HA 0.355 4.825 4.470 0.000 0.000 0.274 325 S C 0.860 175.544 174.600 0.141 0.000 1.144 325 S CA -0.097 58.162 58.200 0.099 0.000 0.849 325 S CB 0.703 63.931 63.200 0.045 0.000 1.103 325 S HN 0.810 nan 8.310 nan 0.000 0.455 326 T N 0.252 114.889 114.554 0.138 0.000 2.867 326 T HA -0.049 4.301 4.350 0.000 0.000 0.268 326 T C 1.512 176.275 174.700 0.104 0.000 1.057 326 T CA 1.360 63.566 62.100 0.178 0.000 1.136 326 T CB -0.443 68.467 68.868 0.070 0.000 0.874 326 T HN 0.625 nan 8.240 nan 0.000 0.466 327 E N 2.069 122.284 120.200 0.025 0.000 2.130 327 E HA -0.167 4.183 4.350 0.000 0.000 0.196 327 E C 2.373 178.934 176.600 -0.065 0.000 0.998 327 E CA 1.497 57.873 56.400 -0.040 0.000 0.806 327 E CB -0.567 29.113 29.700 -0.033 0.000 0.738 327 E HN 0.652 nan 8.360 nan 0.000 0.459 328 A N -0.218 122.561 122.820 -0.069 0.000 1.933 328 A HA -0.181 4.139 4.320 0.000 0.000 0.218 328 A C 2.006 179.457 177.584 -0.222 0.000 1.175 328 A CA 1.327 53.266 52.037 -0.163 0.000 0.628 328 A CB -0.775 18.082 19.000 -0.238 0.000 0.814 328 A HN 0.322 nan 8.150 nan 0.000 0.444 329 Y N -0.048 120.188 120.300 -0.106 0.000 2.184 329 Y HA -0.088 4.462 4.550 0.000 0.000 0.290 329 Y C 2.270 178.060 175.900 -0.184 0.000 1.129 329 Y CA 1.351 59.371 58.100 -0.134 0.000 1.144 329 Y CB -0.344 38.052 38.460 -0.107 0.000 0.995 329 Y HN 0.204 nan 8.280 nan 0.000 0.513 330 I N -0.360 120.155 120.570 -0.092 0.000 2.127 330 I HA -0.367 3.803 4.170 0.000 0.000 0.241 330 I C 2.592 178.551 176.117 -0.264 0.000 1.075 330 I CA 1.706 62.789 61.300 -0.362 0.000 1.334 330 I CB -0.431 37.229 38.000 -0.566 0.000 1.040 330 I HN 0.100 nan 8.210 nan 0.000 0.405 331 R N 1.153 121.552 120.500 -0.168 0.000 2.083 331 R HA -0.192 4.148 4.340 0.000 0.000 0.237 331 R C 2.403 178.688 176.300 -0.025 0.000 1.137 331 R CA 1.821 57.868 56.100 -0.088 0.000 0.951 331 R CB -0.360 29.905 30.300 -0.059 0.000 0.851 331 R HN 0.383 nan 8.270 nan 0.000 0.434 332 A N 0.678 123.467 122.820 -0.052 0.000 1.908 332 A HA -0.162 4.158 4.320 0.000 0.000 0.218 332 A C 2.210 179.757 177.584 -0.061 0.000 1.181 332 A CA 1.439 53.439 52.037 -0.062 0.000 0.627 332 A CB -0.637 18.160 19.000 -0.339 0.000 0.818 332 A HN 0.379 nan 8.150 nan 0.000 0.445 333 L N -0.949 120.230 121.223 -0.074 0.000 2.046 333 L HA -0.235 4.105 4.340 0.000 0.000 0.208 333 L C 2.599 179.486 176.870 0.028 0.000 1.077 333 L CA 1.231 56.050 54.840 -0.036 0.000 0.747 333 L CB -0.489 41.560 42.059 -0.016 0.000 0.896 333 L HN 0.491 nan 8.230 nan 0.000 0.432 334 C N -0.236 119.076 119.300 0.020 0.000 2.419 334 C HA -0.124 4.336 4.460 0.000 0.000 0.283 334 C C 2.252 177.293 174.990 0.084 0.000 1.373 334 C CA 0.623 59.679 59.018 0.062 0.000 1.781 334 C CB -0.918 26.839 27.740 0.028 0.000 1.886 334 C HN 0.359 nan 8.230 nan 0.000 0.520 335 K N 0.093 120.562 120.400 0.114 0.000 2.437 335 K HA 0.238 4.558 4.320 0.000 0.000 0.198 335 K C 1.350 178.068 176.600 0.197 0.000 1.024 335 K CA 0.634 57.022 56.287 0.168 0.000 1.148 335 K CB 0.071 32.721 32.500 0.249 0.000 0.860 335 K HN 0.481 nan 8.250 nan 0.000 0.515 336 G N 1.309 110.188 108.800 0.131 0.000 2.157 336 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 336 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 336 G C 0.330 175.244 174.900 0.022 0.000 0.979 336 G CA -0.127 45.031 45.100 0.096 0.000 0.650 336 G HN 0.423 nan 8.290 nan 0.000 0.529 337 C N 1.044 120.337 119.300 -0.012 0.000 2.596 337 C HA 0.469 4.929 4.460 0.000 0.000 0.414 337 C C 2.015 176.894 174.990 -0.185 0.000 1.396 337 C CA 0.381 59.269 59.018 -0.216 0.000 1.698 337 C CB 0.127 27.520 27.740 -0.580 0.000 2.572 337 C HN 0.514 nan 8.230 nan 0.000 0.604 338 R N 2.548 122.916 120.500 -0.219 0.000 2.142 338 R HA 0.132 4.472 4.340 0.000 0.000 0.204 338 R C 0.689 176.931 176.300 -0.097 0.000 1.059 338 R CA 0.510 56.524 56.100 -0.142 0.000 1.055 338 R CB -0.661 29.479 30.300 -0.266 0.000 0.976 338 R HN 0.724 nan 8.270 nan 0.000 0.483 339 C N 3.728 122.955 119.300 -0.123 0.000 2.223 339 C HA 0.573 5.033 4.460 0.000 0.000 0.324 339 C C 0.093 175.038 174.990 -0.075 0.000 1.196 339 C CA -0.761 58.227 59.018 -0.049 0.000 1.628 339 C CB -1.270 26.474 27.740 0.005 0.000 2.229 339 C HN 0.206 nan 8.230 nan 0.000 0.486 340 L N 4.967 126.171 121.223 -0.032 0.000 2.352 340 L HA 0.633 4.973 4.340 0.000 0.000 0.269 340 L C 0.188 177.102 176.870 0.074 0.000 1.034 340 L CA -0.427 54.418 54.840 0.008 0.000 0.806 340 L CB 0.989 43.112 42.059 0.105 0.000 1.244 340 L HN 0.535 nan 8.230 nan 0.000 0.447 341 E N 1.789 122.053 120.200 0.106 0.000 2.158 341 E HA 0.536 4.887 4.350 0.000 0.000 0.271 341 E C -1.516 175.265 176.600 0.301 0.000 0.911 341 E CA -0.741 55.737 56.400 0.131 0.000 0.767 341 E CB 2.200 31.913 29.700 0.022 0.000 1.120 341 E HN 0.257 nan 8.360 nan 0.000 0.405 342 L N 3.502 124.854 121.223 0.215 0.000 2.343 342 L HA 0.283 4.623 4.340 0.000 0.000 0.278 342 L C -0.887 176.052 176.870 0.115 0.000 0.996 342 L CA -0.512 54.455 54.840 0.212 0.000 0.831 342 L CB 1.521 43.662 42.059 0.137 0.000 1.232 342 L HN 0.337 nan 8.230 nan 0.000 0.413 343 D N 2.298 122.714 120.400 0.027 0.000 2.443 343 D HA 0.321 4.961 4.640 0.000 0.000 0.221 343 D C -0.760 175.515 176.300 -0.043 0.000 1.097 343 D CA -0.116 53.875 54.000 -0.015 0.000 0.865 343 D CB 0.811 41.631 40.800 0.032 0.000 1.034 343 D HN 0.380 nan 8.370 nan 0.000 0.511 344 C N 3.215 122.414 119.300 -0.167 0.000 2.307 344 C HA 0.615 5.075 4.460 0.000 0.000 0.340 344 C C -0.180 174.570 174.990 -0.400 0.000 1.275 344 C CA -1.060 57.865 59.018 -0.155 0.000 1.811 344 C CB -0.893 26.754 27.740 -0.154 0.000 2.372 344 C HN 0.543 nan 8.230 nan 0.000 0.531 345 W N 0.548 121.872 121.300 0.040 0.000 2.950 345 W HA 0.407 5.067 4.660 0.000 0.000 0.340 345 W C -0.502 176.039 176.519 0.036 0.000 1.139 345 W CA -0.515 56.865 57.345 0.057 0.000 1.188 345 W CB 0.620 30.158 29.460 0.129 0.000 1.426 345 W HN 0.464 nan 8.180 nan 0.000 0.531 346 D N 0.648 121.200 120.400 0.253 0.000 2.443 346 D HA 0.420 5.060 4.640 0.000 0.000 0.239 346 D C 0.403 176.778 176.300 0.125 0.000 1.136 346 D CA 0.855 54.932 54.000 0.129 0.000 0.879 346 D CB 0.890 41.749 40.800 0.097 0.000 1.195 346 D HN 0.498 nan 8.370 nan 0.000 0.443 347 G N 0.798 109.641 108.800 0.072 0.000 2.730 347 G HA2 0.595 4.555 3.960 0.000 0.000 0.289 347 G HA3 0.595 4.555 3.960 0.000 0.000 0.289 347 G C -2.825 172.090 174.900 0.024 0.000 1.341 347 G CA -1.338 43.787 45.100 0.043 0.000 0.932 347 G HN 0.226 nan 8.290 nan 0.000 0.481 348 P HA 0.090 nan 4.420 nan 0.000 0.270 348 P C -0.079 177.230 177.300 0.015 0.000 1.227 348 P CA -0.100 63.004 63.100 0.005 0.000 0.788 348 P CB 0.313 32.011 31.700 -0.004 0.000 0.926 349 N N 0.170 118.878 118.700 0.012 0.000 2.714 349 N HA -0.227 4.513 4.740 0.000 0.000 0.250 349 N C -0.344 175.179 175.510 0.022 0.000 1.117 349 N CA 0.601 53.661 53.050 0.017 0.000 0.719 349 N CB -1.297 37.203 38.487 0.021 0.000 1.081 349 N HN 0.561 nan 8.380 nan 0.000 0.557 350 Q N -2.031 117.779 119.800 0.017 0.000 2.461 350 Q HA -0.197 4.143 4.340 0.000 0.000 0.273 350 Q C -0.655 175.362 176.000 0.029 0.000 1.163 350 Q CA 1.396 57.206 55.803 0.013 0.000 0.929 350 Q CB -0.972 27.766 28.738 -0.000 0.000 1.334 350 Q HN 0.532 nan 8.270 nan 0.000 0.499 351 E N 0.852 121.082 120.200 0.051 0.000 2.114 351 E HA 0.352 4.702 4.350 0.000 0.000 0.266 351 E C -2.292 174.359 176.600 0.085 0.000 0.896 351 E CA -2.103 54.355 56.400 0.097 0.000 0.750 351 E CB 1.323 31.082 29.700 0.100 0.000 1.121 351 E HN 0.011 nan 8.360 nan 0.000 0.413 352 P HA 0.081 nan 4.420 nan 0.000 0.267 352 P C -0.028 177.352 177.300 0.134 0.000 1.200 352 P CA 0.230 63.360 63.100 0.049 0.000 0.772 352 P CB 0.430 32.059 31.700 -0.119 0.000 0.855 353 I N -1.245 119.425 120.570 0.166 0.000 3.108 353 I HA 0.647 4.818 4.170 0.000 0.000 0.312 353 I C -0.646 175.640 176.117 0.280 0.000 1.095 353 I CA -1.422 59.997 61.300 0.198 0.000 1.000 353 I CB 2.137 40.217 38.000 0.133 0.000 1.229 353 I HN 0.078 nan 8.210 nan 0.000 0.454 354 I N 2.859 123.568 120.570 0.232 0.000 2.498 354 I HA 0.585 4.755 4.170 0.000 0.000 0.290 354 I C -1.167 175.024 176.117 0.124 0.000 1.032 354 I CA -0.591 60.797 61.300 0.147 0.000 1.073 354 I CB 2.008 40.032 38.000 0.041 0.000 1.251 354 I HN 0.799 nan 8.210 nan 0.000 0.426 355 Y N 3.518 123.645 120.300 -0.287 0.000 2.891 355 Y HA 0.311 4.861 4.550 0.000 0.000 0.361 355 Y C -1.365 174.469 175.900 -0.109 0.000 1.255 355 Y CA -1.288 56.660 58.100 -0.252 0.000 1.103 355 Y CB 0.709 39.104 38.460 -0.109 0.000 1.454 355 Y HN 0.519 nan 8.280 nan 0.000 0.449 356 H N 1.337 120.267 119.070 -0.233 0.000 2.864 356 H HA 0.466 5.023 4.556 0.000 0.000 0.281 356 H C 0.581 175.417 175.328 -0.821 0.000 1.093 356 H CA -0.200 55.718 56.048 -0.217 0.000 1.453 356 H CB 0.502 30.323 29.762 0.098 0.000 1.462 356 H HN 1.098 nan 8.280 nan 0.000 0.480 357 G N 3.422 111.715 108.800 -0.845 0.000 2.353 357 G HA2 -0.110 3.851 3.960 0.000 0.000 0.239 357 G HA3 -0.110 3.851 3.960 0.000 0.000 0.239 357 G C -0.686 173.580 174.900 -1.057 0.000 1.295 357 G CA 0.016 44.101 45.100 -1.691 0.000 0.884 357 G HN 0.942 nan 8.290 nan 0.000 0.537 358 Y N -0.974 118.889 120.300 -0.728 0.000 4.729 358 Y HA -0.277 4.274 4.550 0.000 0.000 0.239 358 Y C 1.420 177.048 175.900 -0.453 0.000 1.043 358 Y CA 1.023 58.840 58.100 -0.471 0.000 2.045 358 Y CB -2.572 35.690 38.460 -0.331 0.000 1.599 358 Y HN 1.113 nan 8.280 nan 0.000 0.655 359 T N -4.884 109.454 114.554 -0.360 0.000 2.742 359 T HA 0.735 5.085 4.350 0.000 0.000 0.282 359 T C 0.086 174.606 174.700 -0.300 0.000 1.025 359 T CA -0.509 61.430 62.100 -0.269 0.000 1.020 359 T CB 0.921 69.695 68.868 -0.157 0.000 1.317 359 T HN -0.119 nan 8.240 nan 0.000 0.538 360 F N 1.034 121.003 119.950 0.032 0.000 2.641 360 F HA 0.264 4.791 4.527 0.000 0.000 0.302 360 F C 1.589 177.430 175.800 0.067 0.000 1.098 360 F CA -0.670 57.351 58.000 0.035 0.000 1.318 360 F CB -0.475 38.534 39.000 0.014 0.000 1.035 360 F HN 0.721 nan 8.300 nan 0.000 0.551 361 T N -0.793 113.921 114.554 0.267 0.000 2.946 361 T HA 0.165 4.515 4.350 0.000 0.000 0.311 361 T C 0.732 175.559 174.700 0.211 0.000 1.063 361 T CA -0.415 61.839 62.100 0.256 0.000 1.139 361 T CB 0.927 69.993 68.868 0.330 0.000 0.994 361 T HN 0.291 nan 8.240 nan 0.000 0.547 362 S N 2.330 118.121 115.700 0.152 0.000 2.587 362 S HA 0.273 4.743 4.470 0.000 0.000 0.260 362 S C -0.271 174.383 174.600 0.090 0.000 1.353 362 S CA -0.451 57.798 58.200 0.082 0.000 0.995 362 S CB 0.076 63.316 63.200 0.067 0.000 0.912 362 S HN 0.839 nan 8.310 nan 0.000 0.568 363 K N 0.609 121.007 120.400 -0.002 0.000 2.267 363 K HA 0.763 5.084 4.320 0.000 0.000 0.246 363 K C -0.455 176.167 176.600 0.037 0.000 0.954 363 K CA -0.681 55.604 56.287 -0.004 0.000 0.824 363 K CB 1.650 34.034 32.500 -0.193 0.000 1.167 363 K HN 0.767 nan 8.250 nan 0.000 0.431 364 I N -1.996 118.620 120.570 0.077 0.000 3.174 364 I HA 0.462 4.632 4.170 0.000 0.000 0.313 364 I C -1.074 175.090 176.117 0.078 0.000 1.155 364 I CA -1.414 59.930 61.300 0.073 0.000 0.977 364 I CB 1.359 39.422 38.000 0.105 0.000 1.248 364 I HN 0.307 nan 8.210 nan 0.000 0.453 365 L N 2.170 123.426 121.223 0.054 0.000 2.331 365 L HA 0.235 4.576 4.340 0.000 0.000 0.278 365 L C 0.808 177.715 176.870 0.062 0.000 1.106 365 L CA -0.197 54.681 54.840 0.063 0.000 0.824 365 L CB 1.065 43.136 42.059 0.020 0.000 1.142 365 L HN 0.696 nan 8.230 nan 0.000 0.443 366 F N 3.273 123.196 119.950 -0.045 0.000 2.120 366 F HA -0.299 4.228 4.527 0.000 0.000 0.300 366 F C 2.512 178.212 175.800 -0.168 0.000 1.095 366 F CA 2.033 59.987 58.000 -0.076 0.000 1.249 366 F CB 0.000 38.990 39.000 -0.017 0.000 0.995 366 F HN 0.730 nan 8.300 nan 0.000 0.480 367 C N -0.308 118.915 119.300 -0.129 0.000 2.446 367 C HA -0.127 4.333 4.460 0.000 0.000 0.277 367 C C 2.442 177.260 174.990 -0.287 0.000 1.275 367 C CA 0.926 59.704 59.018 -0.400 0.000 1.727 367 C CB -1.374 25.942 27.740 -0.706 0.000 2.010 367 C HN 0.421 nan 8.230 nan 0.000 0.486 368 D N 1.302 121.593 120.400 -0.182 0.000 2.144 368 D HA -0.087 4.554 4.640 0.000 0.000 0.199 368 D C 2.401 178.596 176.300 -0.174 0.000 0.984 368 D CA 1.345 55.267 54.000 -0.130 0.000 0.834 368 D CB -0.401 40.361 40.800 -0.064 0.000 0.955 368 D HN 0.453 nan 8.370 nan 0.000 0.465 369 V N 0.974 120.735 119.914 -0.255 0.000 2.343 369 V HA -0.198 3.922 4.120 0.000 0.000 0.247 369 V C 2.610 178.434 176.094 -0.449 0.000 1.051 369 V CA 1.040 63.105 62.300 -0.393 0.000 1.036 369 V CB -0.384 31.109 31.823 -0.550 0.000 0.654 369 V HN 0.236 nan 8.190 nan 0.000 0.451 370 L N -0.728 120.204 121.223 -0.485 0.000 2.083 370 L HA -0.214 4.126 4.340 0.000 0.000 0.209 370 L C 2.762 179.493 176.870 -0.232 0.000 1.083 370 L CA 1.669 56.268 54.840 -0.403 0.000 0.752 370 L CB -0.580 41.235 42.059 -0.406 0.000 0.899 370 L HN 0.268 nan 8.230 nan 0.000 0.433 371 R N -0.147 120.243 120.500 -0.183 0.000 2.070 371 R HA -0.144 4.196 4.340 0.000 0.000 0.233 371 R C 2.485 178.753 176.300 -0.054 0.000 1.137 371 R CA 1.516 57.558 56.100 -0.097 0.000 0.945 371 R CB -0.523 29.734 30.300 -0.071 0.000 0.845 371 R HN 0.347 nan 8.270 nan 0.000 0.430 372 A N 1.039 123.830 122.820 -0.048 0.000 1.908 372 A HA -0.186 4.134 4.320 0.000 0.000 0.218 372 A C 2.168 179.790 177.584 0.064 0.000 1.181 372 A CA 1.460 53.529 52.037 0.053 0.000 0.627 372 A CB -0.632 18.371 19.000 0.005 0.000 0.818 372 A HN 0.239 nan 8.150 nan 0.000 0.445 373 I N -1.075 119.438 120.570 -0.094 0.000 2.179 373 I HA -0.272 3.899 4.170 0.000 0.000 0.242 373 I C 2.746 178.814 176.117 -0.082 0.000 1.088 373 I CA 1.719 62.952 61.300 -0.111 0.000 1.357 373 I CB -0.394 37.472 38.000 -0.224 0.000 1.051 373 I HN 0.419 nan 8.210 nan 0.000 0.409 374 R N 1.141 121.593 120.500 -0.081 0.000 2.083 374 R HA -0.227 4.113 4.340 0.000 0.000 0.237 374 R C 1.665 177.936 176.300 -0.047 0.000 1.137 374 R CA 2.277 58.343 56.100 -0.057 0.000 0.951 374 R CB -0.267 30.006 30.300 -0.045 0.000 0.851 374 R HN 0.305 nan 8.270 nan 0.000 0.434 375 D N -1.055 119.322 120.400 -0.037 0.000 2.310 375 D HA -0.125 4.516 4.640 0.000 0.000 0.212 375 D C 0.646 176.746 176.300 -0.333 0.000 0.965 375 D CA 1.155 55.062 54.000 -0.155 0.000 0.879 375 D CB 0.104 40.811 40.800 -0.154 0.000 0.921 375 D HN 0.404 nan 8.370 nan 0.000 0.510 376 Y N -0.704 119.552 120.300 -0.073 0.000 2.499 376 Y HA 0.390 4.940 4.550 0.000 0.000 0.253 376 Y C 1.988 177.801 175.900 -0.145 0.000 1.105 376 Y CA -0.223 57.835 58.100 -0.070 0.000 1.240 376 Y CB 0.127 38.558 38.460 -0.049 0.000 1.289 376 Y HN -0.137 nan 8.280 nan 0.000 0.534 377 A N 0.348 123.069 122.820 -0.165 0.000 1.971 377 A HA -0.238 4.082 4.320 0.000 0.000 0.222 377 A C 1.104 178.255 177.584 -0.721 0.000 1.182 377 A CA 2.223 53.923 52.037 -0.562 0.000 0.649 377 A CB -0.908 17.534 19.000 -0.929 0.000 0.818 377 A HN 0.421 nan 8.150 nan 0.000 0.458 378 F N -1.473 118.496 119.950 0.030 0.000 2.698 378 F HA 0.275 4.802 4.527 0.000 0.000 0.304 378 F C 1.421 177.230 175.800 0.015 0.000 1.108 378 F CA -0.055 57.954 58.000 0.015 0.000 1.263 378 F CB 0.128 39.116 39.000 -0.020 0.000 1.013 378 F HN 0.205 nan 8.300 nan 0.000 0.532 379 K N 1.527 122.004 120.400 0.128 0.000 2.103 379 K HA -0.116 4.205 4.320 0.000 0.000 0.207 379 K C 1.881 178.551 176.600 0.117 0.000 1.048 379 K CA 1.808 58.158 56.287 0.105 0.000 0.930 379 K CB -0.046 32.529 32.500 0.125 0.000 0.716 379 K HN 0.226 nan 8.250 nan 0.000 0.444 380 A N -0.371 122.525 122.820 0.128 0.000 2.252 380 A HA 0.203 4.524 4.320 0.000 0.000 0.213 380 A C 0.555 178.225 177.584 0.143 0.000 1.188 380 A CA 0.295 52.406 52.037 0.123 0.000 0.863 380 A CB 0.325 19.394 19.000 0.114 0.000 0.893 380 A HN 0.280 nan 8.150 nan 0.000 0.495 381 S N -1.395 114.411 115.700 0.178 0.000 2.552 381 S HA 0.525 4.995 4.470 0.000 0.000 0.272 381 S C -2.848 171.892 174.600 0.233 0.000 1.150 381 S CA -0.509 57.813 58.200 0.205 0.000 0.849 381 S CB 1.836 65.203 63.200 0.279 0.000 1.113 381 S HN -0.066 nan 8.310 nan 0.000 0.458 382 P HA 0.213 nan 4.420 nan 0.000 0.259 382 P C -0.213 176.911 177.300 -0.294 0.000 1.233 382 P CA 0.068 63.036 63.100 -0.220 0.000 0.827 382 P CB 0.003 31.425 31.700 -0.464 0.000 1.154 383 Y N 2.890 123.289 120.300 0.165 0.000 2.379 383 Y HA 0.188 4.739 4.550 0.000 0.000 0.337 383 Y C -1.379 174.718 175.900 0.328 0.000 1.238 383 Y CA -2.533 55.628 58.100 0.101 0.000 1.405 383 Y CB -1.003 37.463 38.460 0.010 0.000 1.310 383 Y HN -0.038 nan 8.280 nan 0.000 0.569 384 P HA -0.039 nan 4.420 nan 0.000 0.265 384 P C -0.736 176.809 177.300 0.409 0.000 1.187 384 P CA 0.213 63.542 63.100 0.381 0.000 0.766 384 P CB 0.712 32.517 31.700 0.174 0.000 0.820 385 V N 5.288 125.360 119.914 0.263 0.000 2.394 385 V HA 0.304 4.424 4.120 0.000 0.000 0.282 385 V C 0.689 176.848 176.094 0.109 0.000 1.031 385 V CA -0.558 61.800 62.300 0.096 0.000 0.881 385 V CB 1.018 32.776 31.823 -0.107 0.000 0.982 385 V HN 0.376 nan 8.190 nan 0.000 0.451 386 I N 6.087 126.717 120.570 0.101 0.000 2.354 386 I HA 0.405 4.575 4.170 0.000 0.000 0.292 386 I C -0.539 175.616 176.117 0.064 0.000 0.989 386 I CA -0.431 60.932 61.300 0.106 0.000 1.188 386 I CB 1.438 39.517 38.000 0.132 0.000 1.342 386 I HN 0.332 nan 8.210 nan 0.000 0.457 387 L N 5.515 126.774 121.223 0.061 0.000 2.265 387 L HA 0.323 4.663 4.340 0.000 0.000 0.289 387 L C 0.361 177.269 176.870 0.063 0.000 1.033 387 L CA -0.279 54.588 54.840 0.045 0.000 0.814 387 L CB 1.470 43.538 42.059 0.015 0.000 1.203 387 L HN 0.548 nan 8.230 nan 0.000 0.423 388 S N 5.168 120.908 115.700 0.066 0.000 2.416 388 S HA 0.482 4.952 4.470 0.000 0.000 0.287 388 S C -0.284 174.347 174.600 0.052 0.000 1.139 388 S CA -0.600 57.637 58.200 0.062 0.000 1.058 388 S CB -0.024 63.216 63.200 0.067 0.000 0.967 388 S HN 0.424 nan 8.310 nan 0.000 0.495 389 L N 4.879 126.121 121.223 0.032 0.000 2.264 389 L HA 0.493 4.833 4.340 0.000 0.000 0.289 389 L C 0.445 177.278 176.870 -0.062 0.000 1.044 389 L CA -0.354 54.493 54.840 0.011 0.000 0.807 389 L CB 1.219 43.287 42.059 0.015 0.000 1.192 389 L HN 0.643 nan 8.230 nan 0.000 0.425 390 E N 3.630 123.772 120.200 -0.098 0.000 2.101 390 E HA 0.140 4.490 4.350 0.000 0.000 0.260 390 E C -0.871 175.484 176.600 -0.407 0.000 0.897 390 E CA -0.624 55.648 56.400 -0.214 0.000 0.744 390 E CB 0.899 30.542 29.700 -0.095 0.000 1.140 390 E HN 0.467 nan 8.360 nan 0.000 0.419 391 N N 2.919 121.314 118.700 -0.508 0.000 2.426 391 N HA 0.095 4.835 4.740 0.000 0.000 0.257 391 N C -0.659 174.365 175.510 -0.810 0.000 1.002 391 N CA -0.146 52.582 53.050 -0.536 0.000 0.942 391 N CB 0.576 38.868 38.487 -0.325 0.000 1.112 391 N HN 0.509 nan 8.380 nan 0.000 0.499 392 H N 1.809 120.505 119.070 -0.623 0.000 2.567 392 H HA 0.253 4.809 4.556 0.000 0.000 0.267 392 H C -0.115 174.998 175.328 -0.358 0.000 1.148 392 H CA -0.356 55.299 56.048 -0.655 0.000 1.031 392 H CB 0.068 28.888 29.762 -1.571 0.000 1.691 392 H HN 0.405 nan 8.280 nan 0.000 0.588 393 C N 2.442 121.614 119.300 -0.213 0.000 2.459 393 C HA 0.282 4.742 4.460 0.000 0.000 0.374 393 C C 1.413 176.353 174.990 -0.084 0.000 1.241 393 C CA -0.371 58.575 59.018 -0.120 0.000 2.352 393 C CB 0.871 28.512 27.740 -0.164 0.000 2.490 393 C HN 0.625 nan 8.230 nan 0.000 0.583 394 S N 2.305 117.979 115.700 -0.044 0.000 2.589 394 S HA 0.179 4.649 4.470 0.000 0.000 0.265 394 S C 1.013 175.579 174.600 -0.058 0.000 1.342 394 S CA -0.395 57.785 58.200 -0.034 0.000 1.005 394 S CB 0.213 63.404 63.200 -0.015 0.000 0.909 394 S HN 0.622 nan 8.310 nan 0.000 0.555 395 L N 0.108 121.302 121.223 -0.050 0.000 2.042 395 L HA -0.125 4.215 4.340 0.000 0.000 0.210 395 L C 2.985 179.818 176.870 -0.062 0.000 1.076 395 L CA 1.891 56.697 54.840 -0.058 0.000 0.749 395 L CB -0.730 41.302 42.059 -0.045 0.000 0.893 395 L HN 0.782 nan 8.230 nan 0.000 0.432 396 E N 0.554 120.724 120.200 -0.051 0.000 2.017 396 E HA -0.237 4.113 4.350 0.000 0.000 0.193 396 E C 2.170 178.726 176.600 -0.072 0.000 0.997 396 E CA 1.618 57.986 56.400 -0.054 0.000 0.804 396 E CB -0.190 29.487 29.700 -0.039 0.000 0.757 396 E HN 0.398 nan 8.360 nan 0.000 0.448 397 Q N -0.244 119.514 119.800 -0.071 0.000 2.226 397 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 397 Q C 2.305 178.216 176.000 -0.149 0.000 0.975 397 Q CA 1.291 57.038 55.803 -0.093 0.000 0.866 397 Q CB -0.113 28.585 28.738 -0.066 0.000 0.915 397 Q HN 0.484 nan 8.270 nan 0.000 0.440 398 Q N 0.294 120.009 119.800 -0.142 0.000 2.084 398 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 398 Q C 2.067 177.975 176.000 -0.153 0.000 0.978 398 Q CA 1.033 56.734 55.803 -0.170 0.000 0.844 398 Q CB -0.099 28.558 28.738 -0.136 0.000 0.898 398 Q HN 0.281 nan 8.270 nan 0.000 0.426 399 R N -0.088 120.341 120.500 -0.119 0.000 2.091 399 R HA -0.129 4.211 4.340 0.000 0.000 0.238 399 R C 2.299 178.518 176.300 -0.134 0.000 1.136 399 R CA 1.313 57.349 56.100 -0.106 0.000 0.959 399 R CB -0.249 30.000 30.300 -0.085 0.000 0.856 399 R HN 0.094 nan 8.270 nan 0.000 0.437 400 V N 0.930 120.750 119.914 -0.158 0.000 2.490 400 V HA -0.282 3.838 4.120 0.000 0.000 0.250 400 V C 2.246 178.191 176.094 -0.248 0.000 1.061 400 V CA 1.697 63.862 62.300 -0.224 0.000 1.064 400 V CB -0.376 31.340 31.823 -0.177 0.000 0.670 400 V HN 0.349 nan 8.190 nan 0.000 0.461 401 M N -0.115 119.342 119.600 -0.238 0.000 2.067 401 M HA -0.159 4.321 4.480 0.000 0.000 0.260 401 M C 2.435 178.720 176.300 -0.025 0.000 1.069 401 M CA 2.265 57.380 55.300 -0.309 0.000 1.117 401 M CB -0.578 31.669 32.600 -0.587 0.000 1.334 401 M HN 0.383 nan 8.290 nan 0.000 0.407 402 A N 0.251 123.032 122.820 -0.065 0.000 1.940 402 A HA -0.209 4.111 4.320 0.000 0.000 0.219 402 A C 2.084 179.674 177.584 0.010 0.000 1.176 402 A CA 1.856 53.890 52.037 -0.005 0.000 0.631 402 A CB -0.687 18.291 19.000 -0.036 0.000 0.814 402 A HN 0.436 nan 8.150 nan 0.000 0.446 403 R N -1.526 118.939 120.500 -0.058 0.000 2.073 403 R HA -0.130 4.210 4.340 0.000 0.000 0.234 403 R C 2.267 178.571 176.300 0.006 0.000 1.134 403 R CA 1.591 57.646 56.100 -0.075 0.000 0.952 403 R CB -0.482 29.707 30.300 -0.184 0.000 0.850 403 R HN 0.632 nan 8.270 nan 0.000 0.433 404 H N 0.654 119.779 119.070 0.091 0.000 2.319 404 H HA -0.109 4.448 4.556 0.000 0.000 0.299 404 H C 2.215 177.612 175.328 0.116 0.000 1.092 404 H CA 1.409 57.537 56.048 0.133 0.000 1.302 404 H CB -0.398 29.528 29.762 0.274 0.000 1.373 404 H HN 0.150 nan 8.280 nan 0.000 0.497 405 L N 0.050 121.446 121.223 0.288 0.000 1.990 405 L HA -0.235 4.105 4.340 0.000 0.000 0.213 405 L C 2.911 179.842 176.870 0.101 0.000 1.072 405 L CA 1.474 56.417 54.840 0.171 0.000 0.755 405 L CB -0.326 41.833 42.059 0.166 0.000 0.889 405 L HN 0.148 nan 8.230 nan 0.000 0.432 406 R N -0.570 119.981 120.500 0.085 0.000 2.062 406 R HA -0.138 4.202 4.340 0.000 0.000 0.231 406 R C 2.382 178.715 176.300 0.055 0.000 1.136 406 R CA 1.425 57.557 56.100 0.054 0.000 0.948 406 R CB -0.361 29.960 30.300 0.034 0.000 0.845 406 R HN 0.376 nan 8.270 nan 0.000 0.430 407 A N 0.567 123.428 122.820 0.070 0.000 1.933 407 A HA -0.142 4.178 4.320 0.000 0.000 0.218 407 A C 2.043 179.664 177.584 0.061 0.000 1.175 407 A CA 1.365 53.442 52.037 0.067 0.000 0.628 407 A CB -0.370 18.685 19.000 0.092 0.000 0.814 407 A HN 0.287 nan 8.150 nan 0.000 0.444 408 I N -1.529 119.083 120.570 0.070 0.000 2.556 408 I HA -0.057 4.113 4.170 0.000 0.000 0.251 408 I C 1.924 178.051 176.117 0.016 0.000 1.105 408 I CA 0.377 61.696 61.300 0.032 0.000 1.436 408 I CB -0.183 37.820 38.000 0.006 0.000 1.139 408 I HN 0.161 nan 8.210 nan 0.000 0.438 409 L N 0.870 122.106 121.223 0.022 0.000 2.156 409 L HA 0.115 4.456 4.340 0.000 0.000 0.208 409 L C 1.804 178.696 176.870 0.036 0.000 1.095 409 L CA 1.439 56.293 54.840 0.024 0.000 0.770 409 L CB -1.682 40.394 42.059 0.028 0.000 0.914 409 L HN 0.426 nan 8.230 nan 0.000 0.439 410 G N 0.339 109.160 108.800 0.035 0.000 2.651 410 G HA2 -0.371 3.589 3.960 0.000 0.000 0.315 410 G HA3 -0.371 3.589 3.960 0.000 0.000 0.315 410 G C -1.182 173.738 174.900 0.033 0.000 1.258 410 G CA 0.487 45.605 45.100 0.031 0.000 1.002 410 G HN 0.273 nan 8.290 nan 0.000 0.551 411 P HA 0.113 nan 4.420 nan 0.000 0.223 411 P C 1.910 179.233 177.300 0.037 0.000 1.151 411 P CA 1.142 64.258 63.100 0.025 0.000 0.787 411 P CB -0.054 31.654 31.700 0.013 0.000 0.788 412 I N -1.093 119.512 120.570 0.058 0.000 2.394 412 I HA -0.112 4.058 4.170 0.000 0.000 0.251 412 I C 1.253 177.431 176.117 0.103 0.000 1.136 412 I CA 0.458 61.818 61.300 0.100 0.000 1.425 412 I CB -0.892 37.207 38.000 0.165 0.000 1.079 412 I HN -0.053 nan 8.210 nan 0.000 0.425 413 L N 1.550 122.820 121.223 0.078 0.000 2.462 413 L HA 0.132 4.472 4.340 0.000 0.000 0.272 413 L C -0.255 176.659 176.870 0.073 0.000 1.166 413 L CA 0.020 54.905 54.840 0.075 0.000 0.880 413 L CB 0.201 42.295 42.059 0.059 0.000 1.142 413 L HN 0.083 nan 8.230 nan 0.000 0.473 414 L N 5.616 126.893 121.223 0.090 0.000 2.261 414 L HA 0.375 4.715 4.340 0.000 0.000 0.289 414 L C 0.038 176.953 176.870 0.075 0.000 1.059 414 L CA 0.217 55.113 54.840 0.095 0.000 0.816 414 L CB 0.374 42.517 42.059 0.141 0.000 1.191 414 L HN 0.832 nan 8.230 nan 0.000 0.431 415 D N 3.128 123.558 120.400 0.050 0.000 2.501 415 D HA 0.104 4.744 4.640 0.000 0.000 0.224 415 D C -0.225 176.076 176.300 0.002 0.000 1.202 415 D CA -0.133 53.881 54.000 0.023 0.000 0.829 415 D CB 0.273 41.084 40.800 0.017 0.000 1.023 415 D HN 0.573 nan 8.370 nan 0.000 0.499 416 Q N 0.433 120.241 119.800 0.013 0.000 2.403 416 Q HA 0.336 4.676 4.340 0.000 0.000 0.267 416 Q C -3.053 172.957 176.000 0.018 0.000 0.991 416 Q CA -1.541 54.257 55.803 -0.009 0.000 0.906 416 Q CB 2.009 30.746 28.738 -0.001 0.000 1.422 416 Q HN -0.210 nan 8.270 nan 0.000 0.400 417 P HA -0.064 nan 4.420 nan 0.000 0.267 417 P C -0.740 176.647 177.300 0.146 0.000 1.175 417 P CA 0.431 63.539 63.100 0.014 0.000 0.763 417 P CB 0.373 32.044 31.700 -0.048 0.000 0.795 418 L N 1.577 122.972 121.223 0.287 0.000 2.379 418 L HA 0.301 4.641 4.340 0.000 0.000 0.269 418 L C 0.909 177.848 176.870 0.115 0.000 1.084 418 L CA -0.702 54.239 54.840 0.168 0.000 0.802 418 L CB 0.415 42.555 42.059 0.135 0.000 1.175 418 L HN 0.328 nan 8.230 nan 0.000 0.448 419 D N 0.843 121.281 120.400 0.063 0.000 2.390 419 D HA 0.360 5.000 4.640 0.000 0.000 0.249 419 D C 0.906 177.226 176.300 0.033 0.000 1.144 419 D CA 1.334 55.359 54.000 0.043 0.000 0.880 419 D CB 1.209 42.024 40.800 0.025 0.000 1.182 419 D HN 0.682 nan 8.370 nan 0.000 0.451 420 G N 2.119 110.939 108.800 0.033 0.000 2.258 420 G HA2 -0.216 3.744 3.960 0.000 0.000 0.233 420 G HA3 -0.216 3.744 3.960 0.000 0.000 0.233 420 G C 0.101 175.009 174.900 0.014 0.000 1.006 420 G CA 0.174 45.284 45.100 0.016 0.000 0.620 420 G HN 0.624 nan 8.290 nan 0.000 0.511 421 V N 2.400 122.339 119.914 0.042 0.000 2.348 421 V HA 0.642 4.763 4.120 0.000 0.000 0.270 421 V C 1.086 177.254 176.094 0.123 0.000 1.037 421 V CA 0.987 63.309 62.300 0.037 0.000 0.872 421 V CB 0.803 32.645 31.823 0.031 0.000 1.002 421 V HN 0.879 nan 8.190 nan 0.000 0.464 422 T N -0.612 113.984 114.554 0.069 0.000 3.236 422 T HA -0.034 4.317 4.350 0.000 0.000 0.265 422 T C 1.230 176.043 174.700 0.188 0.000 0.912 422 T CA 0.731 62.930 62.100 0.165 0.000 0.946 422 T CB 0.335 69.273 68.868 0.117 0.000 1.241 422 T HN 0.583 nan 8.240 nan 0.000 0.513 423 T N -0.152 114.394 114.554 -0.012 0.000 3.054 423 T HA 0.551 4.901 4.350 0.000 0.000 0.255 423 T C 0.496 174.989 174.700 -0.346 0.000 1.035 423 T CA -0.215 61.893 62.100 0.013 0.000 0.941 423 T CB 0.212 69.095 68.868 0.025 0.000 1.026 423 T HN 0.330 nan 8.240 nan 0.000 0.533 424 S N -0.182 115.013 115.700 -0.843 0.000 2.656 424 S HA 0.611 5.081 4.470 0.000 0.000 0.273 424 S C -0.877 173.036 174.600 -1.145 0.000 1.168 424 S CA -0.934 56.670 58.200 -0.994 0.000 0.817 424 S CB 1.418 64.376 63.200 -0.403 0.000 1.146 424 S HN 0.271 nan 8.310 nan 0.000 0.475 425 L N 2.348 123.208 121.223 -0.605 0.000 2.473 425 L HA 0.291 4.631 4.340 0.000 0.000 0.268 425 L C -2.077 174.600 176.870 -0.321 0.000 1.215 425 L CA -1.453 53.241 54.840 -0.244 0.000 0.823 425 L CB 0.257 42.324 42.059 0.014 0.000 1.099 425 L HN 0.392 nan 8.230 nan 0.000 0.483 426 P HA 0.062 nan 4.420 nan 0.000 0.275 426 P C -1.064 176.083 177.300 -0.256 0.000 1.270 426 P CA -0.402 62.471 63.100 -0.379 0.000 0.791 426 P CB 0.582 31.966 31.700 -0.526 0.000 1.089 427 S N -1.245 114.320 115.700 -0.225 0.000 2.718 427 S HA 0.493 4.964 4.470 0.000 0.000 0.300 427 S C -2.073 172.339 174.600 -0.312 0.000 1.117 427 S CA -1.489 56.578 58.200 -0.222 0.000 1.002 427 S CB 1.079 64.184 63.200 -0.158 0.000 1.092 427 S HN 0.130 nan 8.310 nan 0.000 0.542 428 P HA -0.038 nan 4.420 nan 0.000 0.217 428 P C 1.410 178.616 177.300 -0.157 0.000 1.150 428 P CA 1.017 63.747 63.100 -0.618 0.000 0.832 428 P CB 0.074 31.018 31.700 -1.259 0.000 0.787 429 E N -0.104 120.026 120.200 -0.116 0.000 2.051 429 E HA -0.207 4.143 4.350 0.000 0.000 0.192 429 E C 2.082 178.654 176.600 -0.047 0.000 0.991 429 E CA 1.336 57.751 56.400 0.025 0.000 0.799 429 E CB -0.572 29.127 29.700 -0.001 0.000 0.748 429 E HN 0.407 nan 8.360 nan 0.000 0.449 430 Q N -0.082 119.663 119.800 -0.092 0.000 2.170 430 Q HA -0.060 4.280 4.340 0.000 0.000 0.203 430 Q C 2.038 177.985 176.000 -0.088 0.000 0.976 430 Q CA 0.821 56.569 55.803 -0.091 0.000 0.858 430 Q CB -0.004 28.665 28.738 -0.115 0.000 0.907 430 Q HN 0.217 nan 8.270 nan 0.000 0.433 431 L N 0.439 121.599 121.223 -0.105 0.000 2.592 431 L HA 0.102 4.442 4.340 0.000 0.000 0.227 431 L C 0.504 177.340 176.870 -0.057 0.000 1.127 431 L CA -0.245 54.552 54.840 -0.072 0.000 0.884 431 L CB 0.132 42.140 42.059 -0.084 0.000 1.065 431 L HN 0.007 nan 8.230 nan 0.000 0.457 432 K N 0.825 121.172 120.400 -0.088 0.000 2.511 432 K HA 0.065 4.385 4.320 0.000 0.000 0.280 432 K C 1.232 177.663 176.600 -0.281 0.000 1.008 432 K CA 1.077 57.254 56.287 -0.183 0.000 1.050 432 K CB 0.185 32.547 32.500 -0.230 0.000 0.889 432 K HN 0.233 nan 8.250 nan 0.000 0.484 433 G N 2.539 111.028 108.800 -0.519 0.000 2.184 433 G HA2 -0.222 3.738 3.960 0.000 0.000 0.264 433 G HA3 -0.222 3.738 3.960 0.000 0.000 0.264 433 G C -0.259 174.410 174.900 -0.386 0.000 0.975 433 G CA 0.295 44.868 45.100 -0.878 0.000 0.642 433 G HN 0.502 nan 8.290 nan 0.000 0.536 434 K N -0.177 120.216 120.400 -0.012 0.000 2.185 434 K HA 0.806 5.126 4.320 0.000 0.000 0.240 434 K C 0.208 177.019 176.600 0.352 0.000 0.983 434 K CA -1.041 55.349 56.287 0.173 0.000 0.873 434 K CB 1.426 33.982 32.500 0.094 0.000 1.118 434 K HN 0.221 nan 8.250 nan 0.000 0.441 435 I N 3.353 124.067 120.570 0.239 0.000 2.410 435 I HA 0.285 4.455 4.170 0.000 0.000 0.286 435 I C -0.379 175.818 176.117 0.134 0.000 1.009 435 I CA -0.890 60.512 61.300 0.170 0.000 1.111 435 I CB 1.067 39.129 38.000 0.102 0.000 1.262 435 I HN 0.283 nan 8.210 nan 0.000 0.443 436 L N 5.185 126.492 121.223 0.140 0.000 2.331 436 L HA 0.702 5.042 4.340 0.000 0.000 0.275 436 L C -0.801 176.141 176.870 0.120 0.000 1.022 436 L CA -0.900 54.027 54.840 0.145 0.000 0.812 436 L CB 1.413 43.590 42.059 0.196 0.000 1.257 436 L HN 0.396 nan 8.230 nan 0.000 0.435 437 L N 2.454 123.741 121.223 0.106 0.000 2.375 437 L HA 0.535 4.875 4.340 0.000 0.000 0.271 437 L C 0.088 177.015 176.870 0.095 0.000 1.107 437 L CA -0.447 54.444 54.840 0.086 0.000 0.806 437 L CB 1.312 43.412 42.059 0.068 0.000 1.146 437 L HN 0.688 nan 8.230 nan 0.000 0.447 438 K N 1.529 121.979 120.400 0.083 0.000 2.426 438 K HA 0.740 5.061 4.320 0.000 0.000 0.254 438 K C -0.808 175.820 176.600 0.046 0.000 0.936 438 K CA -0.232 56.105 56.287 0.085 0.000 0.801 438 K CB 2.131 34.692 32.500 0.101 0.000 1.139 438 K HN 0.852 nan 8.250 nan 0.000 0.424 439 G N 2.481 111.298 108.800 0.028 0.000 2.428 439 G HA2 0.169 4.129 3.960 0.000 0.000 0.304 439 G HA3 0.169 4.129 3.960 0.000 0.000 0.304 439 G C -1.562 173.320 174.900 -0.031 0.000 1.303 439 G CA -0.793 44.297 45.100 -0.015 0.000 0.825 439 G HN 0.380 nan 8.290 nan 0.000 0.484 440 K N 0.739 121.099 120.400 -0.067 0.000 2.298 440 K HA 0.313 4.633 4.320 0.000 0.000 0.280 440 K C -0.379 176.186 176.600 -0.059 0.000 1.032 440 K CA -0.146 56.095 56.287 -0.076 0.000 0.958 440 K CB 1.854 34.291 32.500 -0.104 0.000 0.978 440 K HN 0.451 nan 8.250 nan 0.000 0.472 441 K N 3.383 123.754 120.400 -0.047 0.000 2.270 441 K HA 0.288 4.608 4.320 0.000 0.000 0.255 441 K C -0.293 176.280 176.600 -0.044 0.000 0.936 441 K CA -0.707 55.555 56.287 -0.042 0.000 0.809 441 K CB 1.049 33.531 32.500 -0.029 0.000 1.131 441 K HN 0.460 nan 8.250 nan 0.000 0.427 442 L N 3.020 124.215 121.223 -0.046 0.000 2.540 442 L HA 0.018 4.358 4.340 0.000 0.000 0.276 442 L C 1.166 178.015 176.870 -0.036 0.000 1.212 442 L CA 0.047 54.862 54.840 -0.042 0.000 0.893 442 L CB 0.183 42.216 42.059 -0.043 0.000 1.138 442 L HN 0.813 nan 8.230 nan 0.000 0.491 443 G N 2.589 111.370 108.800 -0.030 0.000 2.464 443 G HA2 0.293 4.253 3.960 0.000 0.000 0.231 443 G HA3 0.293 4.253 3.960 0.000 0.000 0.231 443 G C 0.440 175.326 174.900 -0.023 0.000 1.267 443 G CA 0.150 45.237 45.100 -0.023 0.000 0.863 443 G HN 0.836 nan 8.290 nan 0.000 0.559 444 G N -0.062 108.729 108.800 -0.016 0.000 3.008 444 G HA2 0.527 4.487 3.960 0.000 0.000 0.181 444 G HA3 0.527 4.487 3.960 0.000 0.000 0.181 444 G C 0.477 175.371 174.900 -0.011 0.000 1.309 444 G CA -1.098 43.991 45.100 -0.018 0.000 1.009 444 G HN 0.653 nan 8.290 nan 0.000 0.584 485 K N 1.784 122.168 120.400 -0.027 0.000 2.173 485 K HA -0.143 4.177 4.320 0.000 0.000 0.207 485 K C 1.581 178.164 176.600 -0.029 0.000 1.046 485 K CA 1.568 57.838 56.287 -0.029 0.000 0.929 485 K CB -0.421 32.065 32.500 -0.025 0.000 0.720 485 K HN 0.200 nan 8.250 nan 0.000 0.453 486 L N -0.080 121.128 121.223 -0.024 0.000 2.612 486 L HA 0.253 4.593 4.340 0.000 0.000 0.230 486 L C 1.235 178.090 176.870 -0.025 0.000 1.140 486 L CA 0.691 55.518 54.840 -0.022 0.000 0.896 486 L CB -0.210 41.839 42.059 -0.016 0.000 1.065 486 L HN 0.062 nan 8.230 nan 0.000 0.447 487 K N -0.432 119.949 120.400 -0.032 0.000 2.462 487 K HA 0.412 4.733 4.320 0.000 0.000 0.201 487 K C 0.044 176.610 176.600 -0.057 0.000 1.268 487 K CA -0.126 56.137 56.287 -0.040 0.000 0.933 487 K CB 1.275 33.754 32.500 -0.036 0.000 1.162 487 K HN 0.079 nan 8.250 nan 0.000 0.527 488 L N 2.842 124.031 121.223 -0.057 0.000 2.409 488 L HA 0.350 4.691 4.340 0.000 0.000 0.272 488 L C -0.649 176.185 176.870 -0.060 0.000 0.980 488 L CA -1.107 53.692 54.840 -0.068 0.000 0.826 488 L CB 1.984 44.002 42.059 -0.068 0.000 1.268 488 L HN -0.120 nan 8.230 nan 0.000 0.407 489 V N 2.916 122.791 119.914 -0.066 0.000 2.775 489 V HA 0.349 4.469 4.120 0.000 0.000 0.299 489 V C -1.963 174.099 176.094 -0.055 0.000 1.062 489 V CA -0.950 61.315 62.300 -0.058 0.000 1.063 489 V CB 0.822 32.607 31.823 -0.063 0.000 0.994 489 V HN 0.692 nan 8.190 nan 0.000 0.483 490 P HA -0.039 nan 4.420 nan 0.000 0.217 490 P C 1.377 178.651 177.300 -0.043 0.000 1.151 490 P CA 1.200 64.274 63.100 -0.044 0.000 0.828 490 P CB 0.240 31.917 31.700 -0.039 0.000 0.788 491 E N -0.557 119.617 120.200 -0.044 0.000 2.147 491 E HA -0.172 4.179 4.350 0.000 0.000 0.199 491 E C 1.986 178.564 176.600 -0.037 0.000 1.005 491 E CA 1.120 57.496 56.400 -0.040 0.000 0.810 491 E CB -0.815 28.858 29.700 -0.045 0.000 0.736 491 E HN 0.233 nan 8.360 nan 0.000 0.460 492 L N -0.708 120.486 121.223 -0.047 0.000 2.130 492 L HA -0.030 4.310 4.340 0.000 0.000 0.200 492 L C 2.419 179.265 176.870 -0.040 0.000 1.075 492 L CA 0.801 55.615 54.840 -0.043 0.000 0.768 492 L CB -0.315 41.705 42.059 -0.065 0.000 0.933 492 L HN 0.141 nan 8.230 nan 0.000 0.451 493 S N -0.082 115.589 115.700 -0.049 0.000 2.402 493 S HA -0.234 4.236 4.470 0.000 0.000 0.233 493 S C 1.465 176.037 174.600 -0.047 0.000 1.030 493 S CA 1.827 59.997 58.200 -0.049 0.000 1.003 493 S CB -0.280 62.889 63.200 -0.052 0.000 0.813 493 S HN 0.383 nan 8.310 nan 0.000 0.477 494 D N 0.639 121.012 120.400 -0.045 0.000 2.269 494 D HA 0.037 4.677 4.640 0.000 0.000 0.208 494 D C 1.649 177.923 176.300 -0.044 0.000 0.963 494 D CA 0.802 54.773 54.000 -0.048 0.000 0.864 494 D CB -0.225 40.550 40.800 -0.042 0.000 0.936 494 D HN 0.506 nan 8.370 nan 0.000 0.505 495 M N -0.029 119.554 119.600 -0.028 0.000 2.558 495 M HA 0.013 4.493 4.480 0.000 0.000 0.255 495 M C -0.024 176.271 176.300 -0.009 0.000 1.113 495 M CA 0.257 55.550 55.300 -0.011 0.000 1.097 495 M CB 0.636 33.242 32.600 0.009 0.000 1.426 495 M HN -0.184 nan 8.290 nan 0.000 0.488 496 I N 1.621 122.178 120.570 -0.022 0.000 2.347 496 I HA 0.022 4.193 4.170 0.000 0.000 0.294 496 I C 0.853 176.935 176.117 -0.059 0.000 1.090 496 I CA 0.137 61.430 61.300 -0.012 0.000 1.314 496 I CB -0.125 37.869 38.000 -0.010 0.000 1.423 496 I HN 0.171 nan 8.210 nan 0.000 0.503 497 I N 5.197 125.726 120.570 -0.068 0.000 3.196 497 I HA -0.048 4.122 4.170 0.000 0.000 0.248 497 I C 1.400 177.337 176.117 -0.301 0.000 1.105 497 I CA 1.044 62.190 61.300 -0.257 0.000 1.482 497 I CB -0.784 37.006 38.000 -0.349 0.000 1.400 497 I HN 0.382 nan 8.210 nan 0.000 0.464 498 Y N 1.070 121.447 120.300 0.129 0.000 2.462 498 Y HA 0.182 4.732 4.550 0.000 0.000 0.261 498 Y C 0.715 176.759 175.900 0.240 0.000 1.146 498 Y CA -0.376 57.858 58.100 0.223 0.000 1.283 498 Y CB 0.178 38.779 38.460 0.235 0.000 1.090 498 Y HN 0.167 nan 8.280 nan 0.000 0.526 499 C N 1.375 120.843 119.300 0.281 0.000 3.164 499 C HA 0.326 4.786 4.460 0.000 0.000 0.250 499 C C -0.098 174.984 174.990 0.153 0.000 1.151 499 C CA -1.654 57.502 59.018 0.230 0.000 1.449 499 C CB -0.716 27.153 27.740 0.216 0.000 1.825 499 C HN 0.220 nan 8.230 nan 0.000 0.478 500 K N 1.782 122.273 120.400 0.151 0.000 2.258 500 K HA 0.410 4.730 4.320 0.000 0.000 0.284 500 K C -0.001 176.633 176.600 0.058 0.000 1.051 500 K CA 0.124 56.464 56.287 0.089 0.000 0.923 500 K CB 0.677 33.243 32.500 0.111 0.000 1.046 500 K HN 0.590 nan 8.250 nan 0.000 0.474 501 S N 2.841 118.548 115.700 0.013 0.000 2.516 501 S HA 0.182 4.652 4.470 0.000 0.000 0.282 501 S C -0.090 174.463 174.600 -0.080 0.000 1.286 501 S CA -0.792 57.395 58.200 -0.021 0.000 1.066 501 S CB 0.566 63.731 63.200 -0.058 0.000 0.884 501 S HN 0.512 nan 8.310 nan 0.000 0.491 502 V N 0.741 120.615 119.914 -0.067 0.000 3.040 502 V HA 0.582 4.703 4.120 0.000 0.000 0.312 502 V C -0.742 175.292 176.094 -0.101 0.000 1.115 502 V CA -1.147 61.089 62.300 -0.106 0.000 0.998 502 V CB 1.446 33.260 31.823 -0.014 0.000 1.042 502 V HN 0.777 nan 8.190 nan 0.000 0.433 503 H N 1.959 121.028 119.070 -0.002 0.000 2.582 503 H HA 0.382 4.938 4.556 0.000 0.000 0.345 503 H C -0.398 174.935 175.328 0.008 0.000 1.104 503 H CA -0.710 55.329 56.048 -0.015 0.000 1.390 503 H CB 1.253 30.998 29.762 -0.030 0.000 1.461 503 H HN 0.767 nan 8.280 nan 0.000 0.551 504 F N 2.923 122.841 119.950 -0.053 0.000 2.571 504 F HA 0.075 4.602 4.527 0.000 0.000 0.390 504 F C 1.137 176.910 175.800 -0.045 0.000 1.043 504 F CA -0.100 57.841 58.000 -0.098 0.000 1.164 504 F CB 0.099 38.951 39.000 -0.247 0.000 1.049 504 F HN 0.613 nan 8.300 nan 0.000 0.552 505 G N 3.786 112.242 108.800 -0.574 0.000 2.551 505 G HA2 0.415 4.375 3.960 0.000 0.000 0.214 505 G HA3 0.415 4.375 3.960 0.000 0.000 0.214 505 G C 0.485 174.677 174.900 -1.179 0.000 1.250 505 G CA 0.573 45.301 45.100 -0.619 0.000 0.825 505 G HN 1.238 nan 8.290 nan 0.000 0.549 506 G N -2.009 106.025 108.800 -1.276 0.000 2.321 506 G HA2 0.418 4.378 3.960 0.000 0.000 0.296 506 G HA3 0.418 4.378 3.960 0.000 0.000 0.296 506 G C -1.781 172.947 174.900 -0.288 0.000 1.287 506 G CA -0.960 43.499 45.100 -1.068 0.000 0.846 506 G HN 0.146 nan 8.290 nan 0.000 0.508 507 F N 1.309 121.352 119.950 0.155 0.000 2.415 507 F HA 0.585 5.112 4.527 0.000 0.000 0.348 507 F C 1.304 177.142 175.800 0.064 0.000 1.119 507 F CA -0.982 57.127 58.000 0.180 0.000 1.069 507 F CB 2.094 41.230 39.000 0.227 0.000 1.124 507 F HN 0.381 nan 8.300 nan 0.000 0.472 508 S N 0.572 116.403 115.700 0.219 0.000 2.602 508 S HA 0.011 4.482 4.470 0.000 0.000 0.246 508 S C 1.687 176.342 174.600 0.091 0.000 1.009 508 S CA 0.259 58.523 58.200 0.107 0.000 1.052 508 S CB -0.227 63.000 63.200 0.045 0.000 0.778 508 S HN 0.581 nan 8.310 nan 0.000 0.455 509 S N 2.464 118.231 115.700 0.111 0.000 2.399 509 S HA 0.080 4.550 4.470 0.000 0.000 0.231 509 S C -1.676 172.963 174.600 0.065 0.000 1.022 509 S CA 0.336 58.585 58.200 0.081 0.000 0.983 509 S CB -0.886 62.362 63.200 0.081 0.000 0.803 509 S HN 0.547 nan 8.310 nan 0.000 0.480 510 P HA 0.284 nan 4.420 nan 0.000 0.259 510 P C 0.514 177.834 177.300 0.034 0.000 1.635 510 P CA 0.781 63.909 63.100 0.047 0.000 1.199 510 P CB -0.302 31.426 31.700 0.046 0.000 1.850 511 G N 2.382 111.202 108.800 0.033 0.000 2.460 511 G HA2 -0.116 3.845 3.960 0.000 0.000 0.207 511 G HA3 -0.116 3.845 3.960 0.000 0.000 0.207 511 G C 0.242 175.161 174.900 0.032 0.000 1.170 511 G CA 0.217 45.333 45.100 0.026 0.000 1.151 511 G HN 0.472 nan 8.290 nan 0.000 0.575 512 T N -3.340 111.231 114.554 0.028 0.000 3.416 512 T HA 0.522 4.872 4.350 0.000 0.000 0.298 512 T C 0.574 175.291 174.700 0.028 0.000 0.874 512 T CA 1.414 63.534 62.100 0.034 0.000 0.901 512 T CB -0.232 68.657 68.868 0.035 0.000 1.215 512 T HN 2.167 nan 8.240 nan 0.000 0.677 513 S N 0.472 116.182 115.700 0.017 0.000 2.498 513 S HA 0.825 5.296 4.470 0.000 0.000 0.324 513 S C 0.438 175.031 174.600 -0.012 0.000 1.071 513 S CA -0.018 58.185 58.200 0.005 0.000 1.113 513 S CB 1.289 64.491 63.200 0.002 0.000 0.976 513 S HN 0.676 nan 8.310 nan 0.000 0.462 514 G N 2.691 111.477 108.800 -0.023 0.000 3.356 514 G HA2 0.448 4.408 3.960 0.000 0.000 0.178 514 G HA3 0.448 4.408 3.960 0.000 0.000 0.178 514 G C -0.926 173.932 174.900 -0.070 0.000 1.130 514 G CA -0.667 44.406 45.100 -0.046 0.000 0.800 514 G HN 0.667 nan 8.290 nan 0.000 0.669 515 Q N 0.228 119.978 119.800 -0.083 0.000 2.299 515 Q HA 0.575 4.915 4.340 0.000 0.000 0.246 515 Q C 0.280 176.174 176.000 -0.178 0.000 0.935 515 Q CA -0.297 55.447 55.803 -0.098 0.000 0.887 515 Q CB 1.629 30.370 28.738 0.006 0.000 1.223 515 Q HN 0.648 nan 8.270 nan 0.000 0.439 516 A N 1.514 124.097 122.820 -0.395 0.000 2.366 516 A HA 0.154 4.475 4.320 0.000 0.000 0.249 516 A C 0.464 177.719 177.584 -0.550 0.000 1.084 516 A CA -0.282 51.329 52.037 -0.710 0.000 0.794 516 A CB -0.071 17.852 19.000 -1.794 0.000 1.034 516 A HN 0.888 nan 8.150 nan 0.000 0.491 517 F N -0.093 119.729 119.950 -0.213 0.000 2.307 517 F HA -0.163 4.364 4.527 0.000 0.000 0.301 517 F C 1.188 177.029 175.800 0.068 0.000 1.076 517 F CA 1.222 59.230 58.000 0.013 0.000 1.383 517 F CB -1.167 37.910 39.000 0.128 0.000 1.055 517 F HN 0.572 nan 8.300 nan 0.000 0.526 518 Y N -0.087 120.026 120.300 -0.312 0.000 2.493 518 Y HA 0.500 5.050 4.550 0.000 0.000 0.275 518 Y C -0.439 175.474 175.900 0.021 0.000 1.183 518 Y CA -1.503 56.572 58.100 -0.043 0.000 1.258 518 Y CB -1.315 36.982 38.460 -0.271 0.000 1.108 518 Y HN 0.136 nan 8.280 nan 0.000 0.521 519 E N 2.141 122.230 120.200 -0.184 0.000 2.158 519 E HA 0.366 4.716 4.350 0.000 0.000 0.271 519 E C -1.207 175.464 176.600 0.118 0.000 0.911 519 E CA -0.737 55.642 56.400 -0.036 0.000 0.767 519 E CB 1.969 31.580 29.700 -0.149 0.000 1.120 519 E HN 0.328 nan 8.360 nan 0.000 0.405 520 M N 2.982 122.674 119.600 0.153 0.000 2.114 520 M HA 0.498 4.978 4.480 0.000 0.000 0.332 520 M C -1.149 175.263 176.300 0.187 0.000 1.014 520 M CA -0.440 54.986 55.300 0.210 0.000 0.956 520 M CB 0.922 33.646 32.600 0.207 0.000 1.551 520 M HN 0.629 nan 8.290 nan 0.000 0.427 521 A N 3.598 126.572 122.820 0.257 0.000 2.293 521 A HA 0.779 5.099 4.320 0.000 0.000 0.302 521 A C -0.588 177.046 177.584 0.082 0.000 1.119 521 A CA -0.504 51.609 52.037 0.127 0.000 0.823 521 A CB 0.943 20.043 19.000 0.168 0.000 1.097 521 A HN 0.786 nan 8.150 nan 0.000 0.491 522 S N -0.180 115.440 115.700 -0.133 0.000 2.532 522 S HA 0.823 5.293 4.470 0.000 0.000 0.301 522 S C -1.310 173.151 174.600 -0.231 0.000 1.083 522 S CA -0.152 58.093 58.200 0.076 0.000 1.025 522 S CB 0.668 64.015 63.200 0.244 0.000 1.056 522 S HN 0.445 nan 8.310 nan 0.000 0.494 523 F N 0.974 121.015 119.950 0.152 0.000 2.578 523 F HA 0.472 5.000 4.527 0.000 0.000 0.311 523 F C 0.645 176.100 175.800 -0.576 0.000 1.094 523 F CA -1.025 56.927 58.000 -0.080 0.000 0.923 523 F CB 1.396 40.349 39.000 -0.080 0.000 1.230 523 F HN 0.539 nan 8.300 nan 0.000 0.450 524 S N 0.372 115.733 115.700 -0.564 0.000 2.593 524 S HA 0.133 4.604 4.470 0.000 0.000 0.269 524 S C 1.198 175.468 174.600 -0.550 0.000 1.334 524 S CA -0.159 57.415 58.200 -1.043 0.000 1.015 524 S CB 1.207 64.142 63.200 -0.442 0.000 0.912 524 S HN 0.893 nan 8.310 nan 0.000 0.541 525 E N 1.539 121.358 120.200 -0.636 0.000 2.114 525 E HA -0.244 4.106 4.350 0.000 0.000 0.199 525 E C 1.724 178.151 176.600 -0.288 0.000 1.008 525 E CA 1.946 57.991 56.400 -0.592 0.000 0.810 525 E CB -0.498 28.745 29.700 -0.761 0.000 0.739 525 E HN 0.801 nan 8.360 nan 0.000 0.456 526 S N 0.781 116.371 115.700 -0.183 0.000 2.348 526 S HA -0.219 4.251 4.470 0.000 0.000 0.221 526 S C 2.030 176.607 174.600 -0.039 0.000 1.033 526 S CA 1.374 59.537 58.200 -0.062 0.000 1.010 526 S CB -0.535 62.666 63.200 0.002 0.000 0.891 526 S HN 0.295 nan 8.310 nan 0.000 0.442 527 R N 1.743 122.226 120.500 -0.028 0.000 2.083 527 R HA -0.086 4.254 4.340 0.000 0.000 0.237 527 R C 2.450 178.769 176.300 0.032 0.000 1.137 527 R CA 1.355 57.475 56.100 0.033 0.000 0.951 527 R CB -0.732 29.625 30.300 0.095 0.000 0.851 527 R HN 0.412 nan 8.270 nan 0.000 0.434 528 A N 1.034 123.860 122.820 0.010 0.000 1.873 528 A HA -0.191 4.129 4.320 0.000 0.000 0.218 528 A C 2.214 179.814 177.584 0.027 0.000 1.193 528 A CA 1.670 53.717 52.037 0.016 0.000 0.629 528 A CB -0.761 18.207 19.000 -0.054 0.000 0.826 528 A HN 0.379 nan 8.150 nan 0.000 0.447 529 L N -1.353 119.855 121.223 -0.026 0.000 2.042 529 L HA -0.234 4.106 4.340 0.000 0.000 0.210 529 L C 2.829 179.708 176.870 0.015 0.000 1.076 529 L CA 1.967 56.799 54.840 -0.013 0.000 0.749 529 L CB -0.499 41.544 42.059 -0.026 0.000 0.893 529 L HN 0.469 nan 8.230 nan 0.000 0.432 530 R N 0.460 120.971 120.500 0.018 0.000 2.083 530 R HA -0.174 4.166 4.340 0.000 0.000 0.237 530 R C 2.366 178.694 176.300 0.046 0.000 1.137 530 R CA 1.480 57.597 56.100 0.028 0.000 0.951 530 R CB -0.267 30.050 30.300 0.029 0.000 0.851 530 R HN 0.263 nan 8.270 nan 0.000 0.434 531 L N 0.449 121.701 121.223 0.048 0.000 2.083 531 L HA -0.195 4.145 4.340 0.000 0.000 0.209 531 L C 2.268 179.235 176.870 0.162 0.000 1.083 531 L CA 1.106 55.991 54.840 0.075 0.000 0.752 531 L CB -0.270 41.717 42.059 -0.120 0.000 0.899 531 L HN 0.284 nan 8.230 nan 0.000 0.433 532 L N -0.844 120.472 121.223 0.155 0.000 2.240 532 L HA -0.147 4.193 4.340 0.000 0.000 0.211 532 L C 2.568 179.460 176.870 0.036 0.000 1.106 532 L CA 0.431 55.333 54.840 0.103 0.000 0.793 532 L CB -0.291 41.788 42.059 0.034 0.000 0.927 532 L HN 0.280 nan 8.230 nan 0.000 0.446 533 Q N 1.015 120.836 119.800 0.034 0.000 2.083 533 Q HA -0.182 4.158 4.340 0.000 0.000 0.198 533 Q C 1.743 177.755 176.000 0.019 0.000 0.969 533 Q CA 1.811 57.622 55.803 0.013 0.000 0.838 533 Q CB 0.094 28.840 28.738 0.012 0.000 0.900 533 Q HN 0.557 nan 8.270 nan 0.000 0.436 534 E N -0.872 119.355 120.200 0.044 0.000 2.307 534 E HA 0.169 4.519 4.350 0.000 0.000 0.195 534 E C 0.145 176.789 176.600 0.073 0.000 0.975 534 E CA 0.701 57.131 56.400 0.050 0.000 0.878 534 E CB 0.618 30.351 29.700 0.055 0.000 0.845 534 E HN 0.111 nan 8.360 nan 0.000 0.488 535 S N 0.628 116.398 115.700 0.117 0.000 2.617 535 S HA 0.255 4.725 4.470 0.000 0.000 0.237 535 S C 1.082 175.741 174.600 0.099 0.000 1.142 535 S CA -0.203 58.091 58.200 0.157 0.000 1.167 535 S CB 1.055 64.460 63.200 0.342 0.000 1.068 535 S HN 0.350 nan 8.310 nan 0.000 0.470 536 G N 3.420 112.238 108.800 0.030 0.000 2.553 536 G HA2 -0.346 3.614 3.960 0.000 0.000 0.218 536 G HA3 -0.346 3.614 3.960 0.000 0.000 0.218 536 G C 1.420 176.273 174.900 -0.078 0.000 1.195 536 G CA 1.240 46.320 45.100 -0.032 0.000 0.779 536 G HN 0.574 nan 8.290 nan 0.000 0.577 537 N N 1.328 119.971 118.700 -0.095 0.000 2.166 537 N HA -0.091 4.649 4.740 0.000 0.000 0.186 537 N C 2.421 177.871 175.510 -0.100 0.000 1.019 537 N CA 1.518 54.513 53.050 -0.091 0.000 0.856 537 N CB -0.442 38.001 38.487 -0.074 0.000 0.993 537 N HN 0.294 nan 8.380 nan 0.000 0.426 538 G N 0.333 109.062 108.800 -0.118 0.000 2.446 538 G HA2 -0.243 3.718 3.960 0.000 0.000 0.217 538 G HA3 -0.243 3.718 3.960 0.000 0.000 0.217 538 G C 1.313 175.705 174.900 -0.847 0.000 1.168 538 G CA 0.238 45.178 45.100 -0.267 0.000 0.771 538 G HN 0.283 nan 8.290 nan 0.000 0.551 539 F N 1.283 120.570 119.950 -1.105 0.000 2.146 539 F HA -0.028 4.499 4.527 0.000 0.000 0.298 539 F C 2.816 178.320 175.800 -0.495 0.000 1.096 539 F CA 0.443 57.793 58.000 -1.083 0.000 1.275 539 F CB -0.631 38.035 39.000 -0.556 0.000 1.008 539 F HN 0.013 nan 8.300 nan 0.000 0.480 540 V N 0.594 120.440 119.914 -0.113 0.000 2.233 540 V HA -0.323 3.797 4.120 0.000 0.000 0.247 540 V C 2.611 178.691 176.094 -0.023 0.000 1.050 540 V CA 2.231 64.487 62.300 -0.073 0.000 1.010 540 V CB -0.651 31.175 31.823 0.006 0.000 0.637 540 V HN 0.212 nan 8.190 nan 0.000 0.444 541 R N -1.033 119.456 120.500 -0.019 0.000 2.105 541 R HA -0.218 4.122 4.340 0.000 0.000 0.239 541 R C 2.315 178.673 176.300 0.097 0.000 1.135 541 R CA 2.006 58.123 56.100 0.029 0.000 0.967 541 R CB -0.613 29.703 30.300 0.026 0.000 0.861 541 R HN 0.762 nan 8.270 nan 0.000 0.442 542 H N 0.678 119.720 119.070 -0.047 0.000 2.290 542 H HA -0.077 4.479 4.556 0.000 0.000 0.298 542 H C 1.501 176.909 175.328 0.135 0.000 1.087 542 H CA 1.544 57.646 56.048 0.091 0.000 1.291 542 H CB 0.116 29.950 29.762 0.120 0.000 1.369 542 H HN 0.117 nan 8.280 nan 0.000 0.492 543 N N 0.560 119.428 118.700 0.280 0.000 2.585 543 N HA -0.108 4.632 4.740 0.000 0.000 0.188 543 N C 1.808 177.393 175.510 0.125 0.000 1.102 543 N CA 0.646 53.795 53.050 0.165 0.000 0.920 543 N CB 0.059 38.522 38.487 -0.040 0.000 0.963 543 N HN 0.259 nan 8.380 nan 0.000 0.447 544 V N 0.627 120.599 119.914 0.098 0.000 2.307 544 V HA -0.165 3.955 4.120 0.000 0.000 0.245 544 V C 1.921 178.111 176.094 0.161 0.000 1.045 544 V CA 2.080 64.391 62.300 0.019 0.000 1.024 544 V CB -0.322 31.498 31.823 -0.004 0.000 0.651 544 V HN 0.391 nan 8.190 nan 0.000 0.449 545 S N -3.405 112.427 115.700 0.220 0.000 2.540 545 S HA 0.178 4.648 4.470 0.000 0.000 0.222 545 S C 0.400 175.176 174.600 0.293 0.000 1.008 545 S CA -0.389 57.965 58.200 0.257 0.000 0.939 545 S CB 0.011 63.337 63.200 0.210 0.000 0.865 545 S HN 0.417 nan 8.310 nan 0.000 0.499 546 C N 2.143 121.645 119.300 0.337 0.000 2.417 546 C HA 0.598 5.058 4.460 0.000 0.000 0.324 546 C C 0.059 175.270 174.990 0.368 0.000 1.240 546 C CA -1.065 58.192 59.018 0.399 0.000 1.632 546 C CB 0.786 28.854 27.740 0.547 0.000 2.241 546 C HN 0.534 nan 8.230 nan 0.000 0.499 547 L N 3.063 124.487 121.223 0.335 0.000 2.319 547 L HA 0.336 4.676 4.340 0.000 0.000 0.280 547 L C 0.291 177.346 176.870 0.309 0.000 1.099 547 L CA 0.583 55.598 54.840 0.291 0.000 0.828 547 L CB 0.900 43.126 42.059 0.279 0.000 1.150 547 L HN 0.715 nan 8.230 nan 0.000 0.442 548 S N 3.638 119.500 115.700 0.270 0.000 2.501 548 S HA 0.562 5.032 4.470 0.000 0.000 0.301 548 S C -0.516 174.276 174.600 0.321 0.000 1.096 548 S CA -0.681 57.723 58.200 0.340 0.000 1.063 548 S CB 1.960 65.317 63.200 0.262 0.000 1.042 548 S HN 0.539 nan 8.310 nan 0.000 0.494 549 R N 2.637 123.376 120.500 0.398 0.000 2.514 549 R HA 0.603 4.944 4.340 0.000 0.000 0.301 549 R C -1.411 175.136 176.300 0.412 0.000 0.962 549 R CA -0.546 55.765 56.100 0.351 0.000 0.882 549 R CB 0.484 30.969 30.300 0.309 0.000 1.143 549 R HN 0.437 nan 8.270 nan 0.000 0.452 550 I N 4.993 125.752 120.570 0.314 0.000 2.569 550 I HA 0.404 4.574 4.170 0.000 0.000 0.296 550 I C -0.660 175.584 176.117 0.212 0.000 1.028 550 I CA -1.079 60.330 61.300 0.182 0.000 1.082 550 I CB 1.213 39.257 38.000 0.074 0.000 1.264 550 I HN 0.690 nan 8.210 nan 0.000 0.429 551 Y N 3.536 123.852 120.300 0.027 0.000 2.581 551 Y HA 0.809 5.359 4.550 0.000 0.000 0.345 551 Y C -3.039 172.705 175.900 -0.260 0.000 1.036 551 Y CA -3.389 54.686 58.100 -0.042 0.000 1.042 551 Y CB 0.695 39.173 38.460 0.031 0.000 1.289 551 Y HN 0.288 nan 8.280 nan 0.000 0.471 552 P HA 0.152 nan 4.420 nan 0.000 0.268 552 P C -0.353 176.771 177.300 -0.294 0.000 1.205 552 P CA 0.208 63.154 63.100 -0.257 0.000 0.771 552 P CB 0.546 32.087 31.700 -0.265 0.000 0.858 553 A N 3.248 125.835 122.820 -0.389 0.000 2.555 553 A HA 0.280 4.600 4.320 0.000 0.000 0.233 553 A C 1.972 179.381 177.584 -0.292 0.000 1.060 553 A CA 0.562 52.415 52.037 -0.306 0.000 0.759 553 A CB -0.765 18.061 19.000 -0.290 0.000 0.995 553 A HN 0.701 nan 8.150 nan 0.000 0.506 554 G N 1.164 109.944 108.800 -0.033 0.000 2.450 554 G HA2 -0.226 3.735 3.960 0.000 0.000 0.220 554 G HA3 -0.226 3.735 3.960 0.000 0.000 0.220 554 G C 1.191 176.134 174.900 0.072 0.000 1.130 554 G CA 1.059 46.200 45.100 0.069 0.000 0.760 554 G HN 1.038 nan 8.290 nan 0.000 0.557 555 W N 0.804 122.144 121.300 0.067 0.000 2.961 555 W HA 0.211 4.872 4.660 0.000 0.000 0.240 555 W C 0.482 177.035 176.519 0.057 0.000 1.305 555 W CA -0.323 57.056 57.345 0.057 0.000 1.465 555 W CB -0.260 29.222 29.460 0.036 0.000 1.135 555 W HN 0.083 nan 8.180 nan 0.000 0.688 556 R N 2.393 122.586 120.500 -0.512 0.000 4.609 556 R HA 0.021 4.362 4.340 0.000 0.000 0.235 556 R C 1.745 177.976 176.300 -0.116 0.000 1.836 556 R CA 0.655 56.455 56.100 -0.500 0.000 1.564 556 R CB -0.367 29.478 30.300 -0.758 0.000 1.382 556 R HN 0.127 nan 8.270 nan 0.000 0.776 557 T N -2.493 112.091 114.554 0.050 0.000 3.025 557 T HA -0.132 4.218 4.350 0.000 0.000 0.270 557 T C 1.133 175.877 174.700 0.073 0.000 1.126 557 T CA 1.134 63.292 62.100 0.097 0.000 1.105 557 T CB -0.082 68.868 68.868 0.137 0.000 0.884 557 T HN 0.342 nan 8.240 nan 0.000 0.522 558 D N 0.321 120.751 120.400 0.051 0.000 2.340 558 D HA 0.129 4.769 4.640 0.000 0.000 0.220 558 D C 0.695 176.992 176.300 -0.005 0.000 1.039 558 D CA 0.129 54.151 54.000 0.036 0.000 0.866 558 D CB -0.545 40.288 40.800 0.055 0.000 0.913 558 D HN 0.322 nan 8.370 nan 0.000 0.523 559 S N -0.983 114.699 115.700 -0.029 0.000 3.476 559 S HA -0.209 4.261 4.470 0.000 0.000 0.309 559 S C 0.539 175.087 174.600 -0.087 0.000 1.222 559 S CA 0.634 58.802 58.200 -0.053 0.000 0.922 559 S CB -2.333 60.841 63.200 -0.043 0.000 1.023 559 S HN 0.776 nan 8.310 nan 0.000 0.591 560 S N 1.226 116.863 115.700 -0.104 0.000 2.606 560 S HA 0.548 5.018 4.470 0.000 0.000 0.257 560 S C 0.013 174.519 174.600 -0.158 0.000 1.327 560 S CA -0.502 57.633 58.200 -0.108 0.000 0.984 560 S CB 0.566 63.724 63.200 -0.071 0.000 0.941 560 S HN 0.402 nan 8.310 nan 0.000 0.576 561 N N 0.082 118.687 118.700 -0.158 0.000 2.265 561 N HA 0.451 5.192 4.740 0.000 0.000 0.300 561 N C -1.089 174.311 175.510 -0.183 0.000 1.148 561 N CA -0.522 52.388 53.050 -0.234 0.000 0.772 561 N CB 1.595 39.882 38.487 -0.333 0.000 1.434 561 N HN 0.788 nan 8.380 nan 0.000 0.481 562 Y N -1.051 119.143 120.300 -0.176 0.000 2.480 562 Y HA 0.556 5.106 4.550 0.000 0.000 0.323 562 Y C 0.922 176.735 175.900 -0.145 0.000 1.267 562 Y CA -1.262 56.759 58.100 -0.132 0.000 1.336 562 Y CB -0.040 38.337 38.460 -0.137 0.000 1.361 562 Y HN 0.335 nan 8.280 nan 0.000 0.518 563 S N 2.227 117.917 115.700 -0.016 0.000 2.499 563 S HA 0.258 4.728 4.470 0.000 0.000 0.275 563 S C -1.726 172.750 174.600 -0.206 0.000 1.257 563 S CA -1.317 56.800 58.200 -0.138 0.000 1.050 563 S CB 0.629 63.804 63.200 -0.042 0.000 0.937 563 S HN 0.636 nan 8.310 nan 0.000 0.490 564 P HA -0.028 nan 4.420 nan 0.000 0.220 564 P C 1.664 178.369 177.300 -0.993 0.000 1.152 564 P CA 0.489 63.117 63.100 -0.787 0.000 0.812 564 P CB -0.139 30.953 31.700 -1.014 0.000 0.792 565 V N 2.736 122.245 119.914 -0.675 0.000 2.278 565 V HA -0.284 3.837 4.120 0.000 0.000 0.251 565 V C 2.836 178.885 176.094 -0.075 0.000 1.062 565 V CA 2.605 64.782 62.300 -0.205 0.000 1.038 565 V CB -1.551 30.281 31.823 0.016 0.000 0.646 565 V HN 0.306 nan 8.190 nan 0.000 0.447 566 E N -0.342 119.807 120.200 -0.086 0.000 2.209 566 E HA -0.261 4.089 4.350 0.000 0.000 0.196 566 E C 2.038 178.598 176.600 -0.067 0.000 0.993 566 E CA 1.669 58.046 56.400 -0.039 0.000 0.819 566 E CB -0.289 29.397 29.700 -0.023 0.000 0.745 566 E HN 0.484 nan 8.360 nan 0.000 0.477 567 M N -0.276 119.248 119.600 -0.127 0.000 2.287 567 M HA -0.005 4.475 4.480 0.000 0.000 0.266 567 M C 1.792 178.075 176.300 -0.028 0.000 1.079 567 M CA 0.772 55.992 55.300 -0.132 0.000 1.146 567 M CB -1.049 31.485 32.600 -0.109 0.000 1.374 567 M HN 0.233 nan 8.290 nan 0.000 0.435 568 W N 1.902 123.172 121.300 -0.050 0.000 2.392 568 W HA -0.083 4.577 4.660 0.000 0.000 0.279 568 W C 1.763 178.232 176.519 -0.085 0.000 1.225 568 W CA 0.693 57.990 57.345 -0.079 0.000 1.233 568 W CB -1.680 27.737 29.460 -0.071 0.000 1.122 568 W HN 0.348 nan 8.180 nan 0.000 0.561 569 N N -0.518 118.295 118.700 0.188 0.000 2.520 569 N HA -0.060 4.680 4.740 0.000 0.000 0.185 569 N C 1.843 177.420 175.510 0.112 0.000 1.068 569 N CA 1.429 54.576 53.050 0.161 0.000 0.911 569 N CB -0.656 37.909 38.487 0.130 0.000 0.961 569 N HN 0.157 nan 8.380 nan 0.000 0.446 570 G N -1.485 107.287 108.800 -0.046 0.000 3.277 570 G HA2 0.364 4.324 3.960 0.000 0.000 0.243 570 G HA3 0.364 4.324 3.960 0.000 0.000 0.243 570 G C 0.907 175.649 174.900 -0.264 0.000 1.107 570 G CA 0.185 45.164 45.100 -0.201 0.000 0.771 570 G HN 0.338 nan 8.290 nan 0.000 0.544 571 G N -0.808 107.911 108.800 -0.135 0.000 2.159 571 G HA2 -0.312 3.648 3.960 0.000 0.000 0.256 571 G HA3 -0.312 3.648 3.960 0.000 0.000 0.256 571 G C 0.486 175.305 174.900 -0.134 0.000 0.977 571 G CA 0.069 45.087 45.100 -0.137 0.000 0.652 571 G HN 0.612 nan 8.290 nan 0.000 0.531 572 C N 2.304 121.496 119.300 -0.180 0.000 2.648 572 C HA 0.400 4.860 4.460 0.000 0.000 0.415 572 C C 1.891 176.963 174.990 0.137 0.000 1.366 572 C CA 0.323 59.266 59.018 -0.126 0.000 1.756 572 C CB 0.915 28.515 27.740 -0.233 0.000 2.549 572 C HN 0.665 nan 8.230 nan 0.000 0.597 573 Q N 2.937 122.826 119.800 0.148 0.000 2.259 573 Q HA 0.134 4.474 4.340 0.000 0.000 0.201 573 Q C 0.536 176.709 176.000 0.287 0.000 0.938 573 Q CA 1.314 57.252 55.803 0.225 0.000 0.872 573 Q CB -0.010 28.840 28.738 0.186 0.000 0.971 573 Q HN 0.834 nan 8.270 nan 0.000 0.494 574 I N 3.123 123.849 120.570 0.261 0.000 2.325 574 I HA 0.163 4.333 4.170 0.000 0.000 0.285 574 I C -0.687 175.611 176.117 0.302 0.000 1.128 574 I CA -0.604 60.855 61.300 0.264 0.000 1.261 574 I CB 1.059 39.195 38.000 0.226 0.000 1.529 574 I HN -0.189 nan 8.210 nan 0.000 0.557 575 V N 4.519 124.665 119.914 0.387 0.000 2.338 575 V HA 0.285 4.406 4.120 0.000 0.000 0.255 575 V C 0.993 177.298 176.094 0.351 0.000 1.082 575 V CA -0.468 62.057 62.300 0.375 0.000 0.951 575 V CB 0.502 32.542 31.823 0.362 0.000 1.102 575 V HN 0.653 nan 8.190 nan 0.000 0.489 576 A N 7.087 130.079 122.820 0.287 0.000 2.409 576 A HA 0.704 5.024 4.320 0.000 0.000 0.267 576 A C -0.316 177.316 177.584 0.080 0.000 1.127 576 A CA -0.088 52.068 52.037 0.200 0.000 0.795 576 A CB 0.248 19.406 19.000 0.263 0.000 1.061 576 A HN 0.757 nan 8.150 nan 0.000 0.502 577 L N 1.926 123.115 121.223 -0.056 0.000 2.309 577 L HA 0.383 4.723 4.340 0.000 0.000 0.261 577 L C -0.404 176.467 176.870 0.002 0.000 1.021 577 L CA -1.104 53.612 54.840 -0.207 0.000 0.823 577 L CB 1.920 43.632 42.059 -0.579 0.000 1.366 577 L HN 0.638 nan 8.230 nan 0.000 0.423 578 N N 1.467 120.131 118.700 -0.061 0.000 2.508 578 N HA 0.085 4.825 4.740 0.000 0.000 0.253 578 N C 0.623 176.130 175.510 -0.004 0.000 1.145 578 N CA -0.033 53.012 53.050 -0.008 0.000 0.973 578 N CB 0.480 38.938 38.487 -0.048 0.000 1.305 578 N HN 0.435 nan 8.380 nan 0.000 0.506 579 F N 1.610 121.433 119.950 -0.212 0.000 2.287 579 F HA -0.179 4.348 4.527 0.000 0.000 0.301 579 F C 2.505 178.210 175.800 -0.158 0.000 1.069 579 F CA 1.110 58.995 58.000 -0.191 0.000 1.372 579 F CB 0.047 38.944 39.000 -0.172 0.000 1.056 579 F HN 0.497 nan 8.300 nan 0.000 0.523 580 Q N -0.472 119.326 119.800 -0.002 0.000 2.432 580 Q HA -0.006 4.334 4.340 0.000 0.000 0.205 580 Q C 0.031 175.983 176.000 -0.081 0.000 0.945 580 Q CA 0.707 56.480 55.803 -0.050 0.000 0.924 580 Q CB -0.992 27.705 28.738 -0.069 0.000 1.016 580 Q HN 0.186 nan 8.270 nan 0.000 0.503 581 T N 4.862 119.353 114.554 -0.105 0.000 2.753 581 T HA 0.440 4.790 4.350 0.000 0.000 0.297 581 T C -2.537 172.072 174.700 -0.152 0.000 0.981 581 T CA -1.338 60.692 62.100 -0.117 0.000 0.956 581 T CB 1.486 70.285 68.868 -0.115 0.000 0.936 581 T HN 0.174 nan 8.240 nan 0.000 0.463 582 P HA 0.571 nan 4.420 nan 0.000 0.271 582 P C 0.207 177.390 177.300 -0.196 0.000 1.218 582 P CA 0.085 63.073 63.100 -0.188 0.000 0.780 582 P CB 0.796 32.378 31.700 -0.196 0.000 0.901 583 G N 1.558 110.227 108.800 -0.219 0.000 2.336 583 G HA2 0.172 4.132 3.960 0.000 0.000 0.300 583 G HA3 0.172 4.132 3.960 0.000 0.000 0.300 583 G C -2.781 172.031 174.900 -0.147 0.000 1.375 583 G CA -0.788 44.203 45.100 -0.182 0.000 0.885 583 G HN 0.096 nan 8.290 nan 0.000 0.599 584 P HA -0.033 nan 4.420 nan 0.000 0.217 584 P C 1.447 178.683 177.300 -0.107 0.000 1.148 584 P CA 1.544 64.612 63.100 -0.055 0.000 0.828 584 P CB 0.288 31.986 31.700 -0.003 0.000 0.783 585 E N -1.295 118.824 120.200 -0.135 0.000 2.051 585 E HA -0.121 4.229 4.350 0.000 0.000 0.192 585 E C 1.991 178.485 176.600 -0.176 0.000 0.991 585 E CA 1.230 57.519 56.400 -0.187 0.000 0.799 585 E CB -0.776 28.779 29.700 -0.242 0.000 0.748 585 E HN 0.107 nan 8.360 nan 0.000 0.449 586 M N 0.850 120.328 119.600 -0.202 0.000 2.319 586 M HA -0.099 4.382 4.480 0.000 0.000 0.265 586 M C 1.009 177.256 176.300 -0.088 0.000 1.068 586 M CA 1.133 56.305 55.300 -0.214 0.000 1.118 586 M CB -0.551 31.866 32.600 -0.305 0.000 1.395 586 M HN 0.059 nan 8.290 nan 0.000 0.435 587 D N -0.003 120.351 120.400 -0.077 0.000 2.084 587 D HA -0.108 4.532 4.640 0.000 0.000 0.194 587 D C 2.204 178.512 176.300 0.013 0.000 0.990 587 D CA 1.146 55.136 54.000 -0.017 0.000 0.826 587 D CB -0.233 40.566 40.800 -0.001 0.000 0.971 587 D HN 0.124 nan 8.370 nan 0.000 0.453 588 V N 0.558 120.447 119.914 -0.043 0.000 2.407 588 V HA -0.269 3.851 4.120 0.000 0.000 0.248 588 V C 2.170 178.356 176.094 0.154 0.000 1.055 588 V CA 1.345 63.624 62.300 -0.035 0.000 1.049 588 V CB -0.576 31.127 31.823 -0.201 0.000 0.662 588 V HN 0.177 nan 8.190 nan 0.000 0.455 589 Y N 0.326 120.651 120.300 0.041 0.000 2.070 589 Y HA -0.218 4.332 4.550 0.000 0.000 0.280 589 Y C 2.241 178.304 175.900 0.271 0.000 1.148 589 Y CA 1.858 60.093 58.100 0.225 0.000 1.125 589 Y CB -0.181 38.298 38.460 0.031 0.000 0.975 589 Y HN 0.115 nan 8.280 nan 0.000 0.492 590 L N -1.003 120.382 121.223 0.270 0.000 2.376 590 L HA -0.084 4.256 4.340 0.000 0.000 0.219 590 L C 2.481 179.441 176.870 0.150 0.000 1.133 590 L CA 0.799 55.759 54.840 0.200 0.000 0.816 590 L CB -1.036 41.071 42.059 0.081 0.000 0.933 590 L HN 0.368 nan 8.230 nan 0.000 0.449 591 G N -0.451 108.428 108.800 0.132 0.000 2.394 591 G HA2 -0.282 3.678 3.960 0.000 0.000 0.214 591 G HA3 -0.282 3.678 3.960 0.000 0.000 0.214 591 G C 1.830 176.808 174.900 0.129 0.000 1.176 591 G CA 0.727 45.919 45.100 0.154 0.000 0.786 591 G HN 0.457 nan 8.290 nan 0.000 0.533 592 C N 0.246 119.533 119.300 -0.021 0.000 2.398 592 C HA -0.004 4.456 4.460 0.000 0.000 0.276 592 C C 2.395 177.143 174.990 -0.403 0.000 1.222 592 C CA 0.817 59.631 59.018 -0.340 0.000 1.746 592 C CB -1.242 26.039 27.740 -0.765 0.000 2.039 592 C HN 0.307 nan 8.230 nan 0.000 0.470 593 F N 0.970 120.876 119.950 -0.072 0.000 2.804 593 F HA 0.149 4.676 4.527 0.000 0.000 0.303 593 F C 2.162 177.985 175.800 0.038 0.000 1.154 593 F CA 0.849 58.824 58.000 -0.043 0.000 1.401 593 F CB -0.569 38.397 39.000 -0.056 0.000 1.106 593 F HN 0.373 nan 8.300 nan 0.000 0.568 594 Q N 0.330 120.234 119.800 0.173 0.000 2.398 594 Q HA -0.033 4.307 4.340 0.000 0.000 0.204 594 Q C 0.694 176.828 176.000 0.223 0.000 0.932 594 Q CA 0.417 56.274 55.803 0.090 0.000 0.916 594 Q CB -0.132 28.518 28.738 -0.147 0.000 1.024 594 Q HN 0.188 nan 8.270 nan 0.000 0.504 595 D N 0.345 120.942 120.400 0.329 0.000 2.354 595 D HA -0.059 4.582 4.640 0.000 0.000 0.238 595 D C -0.003 176.445 176.300 0.246 0.000 1.250 595 D CA 0.426 54.633 54.000 0.346 0.000 0.911 595 D CB 0.359 41.232 40.800 0.121 0.000 1.163 595 D HN 0.273 nan 8.370 nan 0.000 0.456 596 N N 0.199 119.071 118.700 0.285 0.000 2.716 596 N HA -0.221 4.519 4.740 0.000 0.000 0.250 596 N C 0.666 176.300 175.510 0.207 0.000 1.033 596 N CA 1.903 55.036 53.050 0.137 0.000 0.727 596 N CB -1.277 37.154 38.487 -0.093 0.000 0.950 596 N HN 0.710 nan 8.380 nan 0.000 0.541 597 G N -1.632 107.333 108.800 0.275 0.000 2.168 597 G HA2 -0.086 3.875 3.960 0.000 0.000 0.257 597 G HA3 -0.086 3.875 3.960 0.000 0.000 0.257 597 G C 1.296 176.306 174.900 0.184 0.000 0.997 597 G CA 0.977 46.208 45.100 0.219 0.000 0.708 597 G HN 1.765 nan 8.290 nan 0.000 0.520 598 G N -1.557 107.357 108.800 0.191 0.000 2.283 598 G HA2 -0.137 3.823 3.960 0.000 0.000 0.280 598 G HA3 -0.137 3.823 3.960 0.000 0.000 0.280 598 G C 1.928 176.950 174.900 0.203 0.000 1.029 598 G CA 1.675 46.887 45.100 0.187 0.000 0.840 598 G HN 2.291 nan 8.290 nan 0.000 0.505 599 C N -2.231 117.214 119.300 0.240 0.000 2.481 599 C HA 0.541 5.002 4.460 0.000 0.000 0.275 599 C C 2.426 177.600 174.990 0.306 0.000 1.419 599 C CA 0.899 60.111 59.018 0.323 0.000 1.773 599 C CB -0.722 27.298 27.740 0.468 0.000 1.862 599 C HN 2.341 nan 8.230 nan 0.000 0.530 600 G N -1.351 107.568 108.800 0.200 0.000 2.179 600 G HA2 -0.170 3.790 3.960 0.000 0.000 0.220 600 G HA3 -0.170 3.790 3.960 0.000 0.000 0.220 600 G C -0.402 174.355 174.900 -0.238 0.000 0.990 600 G CA 0.281 45.344 45.100 -0.061 0.000 0.646 600 G HN 0.630 nan 8.290 nan 0.000 0.517 601 Y N -0.343 120.013 120.300 0.094 0.000 2.361 601 Y HA 0.624 5.174 4.550 0.000 0.000 0.337 601 Y C -0.082 175.888 175.900 0.117 0.000 0.965 601 Y CA -0.963 57.166 58.100 0.049 0.000 1.091 601 Y CB 2.538 40.794 38.460 -0.339 0.000 1.182 601 Y HN 0.105 nan 8.280 nan 0.000 0.450 602 V N 5.060 125.140 119.914 0.277 0.000 2.483 602 V HA 0.254 4.374 4.120 0.000 0.000 0.297 602 V C -0.558 175.528 176.094 -0.015 0.000 1.027 602 V CA -0.957 61.365 62.300 0.037 0.000 0.855 602 V CB 1.840 33.505 31.823 -0.263 0.000 0.995 602 V HN 0.570 nan 8.190 nan 0.000 0.424 603 L N 5.742 126.905 121.223 -0.099 0.000 2.559 603 L HA 0.183 4.523 4.340 0.000 0.000 0.274 603 L C 0.639 177.295 176.870 -0.357 0.000 1.205 603 L CA 0.761 55.390 54.840 -0.352 0.000 0.907 603 L CB 0.051 41.903 42.059 -0.346 0.000 1.153 603 L HN 0.580 nan 8.230 nan 0.000 0.490 604 K N 5.859 126.017 120.400 -0.403 0.000 2.230 604 K HA 0.239 4.559 4.320 0.000 0.000 0.253 604 K C -2.205 174.135 176.600 -0.434 0.000 1.008 604 K CA -1.236 54.807 56.287 -0.407 0.000 0.910 604 K CB 0.033 32.292 32.500 -0.401 0.000 0.994 604 K HN 0.465 nan 8.250 nan 0.000 0.495 605 P HA -0.050 nan 4.420 nan 0.000 0.269 605 P C -0.288 176.643 177.300 -0.615 0.000 1.215 605 P CA 0.098 62.854 63.100 -0.573 0.000 0.780 605 P CB 0.769 31.916 31.700 -0.922 0.000 0.898 606 A N 3.004 125.598 122.820 -0.377 0.000 1.873 606 A HA -0.232 4.088 4.320 0.000 0.000 0.218 606 A C 1.772 179.210 177.584 -0.243 0.000 1.193 606 A CA 2.157 54.050 52.037 -0.240 0.000 0.629 606 A CB -1.960 16.997 19.000 -0.071 0.000 0.826 606 A HN 0.714 nan 8.150 nan 0.000 0.447 607 F N -0.994 118.908 119.950 -0.079 0.000 2.449 607 F HA 0.067 4.594 4.527 0.000 0.000 0.299 607 F C 1.196 176.915 175.800 -0.135 0.000 1.092 607 F CA 0.742 58.728 58.000 -0.024 0.000 1.446 607 F CB -0.513 38.580 39.000 0.155 0.000 1.084 607 F HN 0.085 nan 8.300 nan 0.000 0.567 608 L N 0.069 120.866 121.223 -0.710 0.000 2.667 608 L HA 0.282 4.622 4.340 0.000 0.000 0.232 608 L C 1.429 178.071 176.870 -0.380 0.000 1.138 608 L CA 0.110 54.657 54.840 -0.488 0.000 0.921 608 L CB -0.114 41.574 42.059 -0.618 0.000 1.180 608 L HN 0.118 nan 8.230 nan 0.000 0.487 609 R N -0.768 119.507 120.500 -0.375 0.000 2.565 609 R HA 0.097 4.437 4.340 0.000 0.000 0.347 609 R C -0.359 175.788 176.300 -0.254 0.000 1.010 609 R CA -0.133 55.684 56.100 -0.473 0.000 1.126 609 R CB 0.624 30.602 30.300 -0.536 0.000 1.331 609 R HN 0.007 nan 8.270 nan 0.000 0.552 610 D N 1.210 121.542 120.400 -0.113 0.000 2.427 610 D HA 0.166 4.806 4.640 0.000 0.000 0.226 610 D C -1.823 174.490 176.300 0.021 0.000 1.076 610 D CA -2.580 51.416 54.000 -0.007 0.000 0.849 610 D CB 1.745 42.586 40.800 0.067 0.000 1.052 610 D HN -0.153 nan 8.370 nan 0.000 0.515 611 P HA -0.083 nan 4.420 nan 0.000 0.227 611 P C 0.106 177.443 177.300 0.061 0.000 1.145 611 P CA 0.788 63.917 63.100 0.048 0.000 0.769 611 P CB 0.232 31.968 31.700 0.060 0.000 0.769 612 N N -1.608 117.135 118.700 0.072 0.000 2.235 612 N HA 0.056 4.796 4.740 0.000 0.000 0.231 612 N C -0.110 175.470 175.510 0.117 0.000 1.177 612 N CA 0.214 53.314 53.050 0.084 0.000 0.874 612 N CB 0.176 38.709 38.487 0.077 0.000 1.097 612 N HN 0.155 nan 8.380 nan 0.000 0.518 613 T N -0.055 114.582 114.554 0.138 0.000 2.903 613 T HA 0.076 4.427 4.350 0.000 0.000 0.314 613 T C 1.408 176.207 174.700 0.165 0.000 1.078 613 T CA 0.015 62.244 62.100 0.215 0.000 1.114 613 T CB 0.875 69.886 68.868 0.239 0.000 0.987 613 T HN 0.145 nan 8.240 nan 0.000 0.548 614 T N -0.896 113.786 114.554 0.214 0.000 3.145 614 T HA 0.210 4.560 4.350 0.000 0.000 0.255 614 T C 0.168 174.838 174.700 -0.049 0.000 1.039 614 T CA -0.656 61.514 62.100 0.117 0.000 0.928 614 T CB -0.506 68.476 68.868 0.190 0.000 1.029 614 T HN 0.519 nan 8.240 nan 0.000 0.554 615 F N 3.524 123.247 119.950 -0.379 0.000 2.572 615 F HA 0.410 4.937 4.527 0.000 0.000 0.370 615 F C 0.293 175.828 175.800 -0.442 0.000 1.103 615 F CA -0.373 57.134 58.000 -0.822 0.000 1.286 615 F CB 0.392 38.870 39.000 -0.869 0.000 1.105 615 F HN 0.097 nan 8.300 nan 0.000 0.583 616 N N 3.197 120.985 118.700 -1.520 0.000 2.699 616 N HA 0.002 4.742 4.740 0.000 0.000 0.271 616 N C 0.314 175.080 175.510 -1.240 0.000 1.216 616 N CA 0.400 52.813 53.050 -1.062 0.000 0.844 616 N CB 1.359 39.551 38.487 -0.492 0.000 1.462 616 N HN 0.672 nan 8.380 nan 0.000 0.555 617 S N 3.225 118.146 115.700 -1.298 0.000 2.440 617 S HA -0.147 4.323 4.470 0.000 0.000 0.240 617 S C 1.219 175.634 174.600 -0.309 0.000 1.014 617 S CA 1.027 58.850 58.200 -0.627 0.000 0.980 617 S CB -0.013 63.117 63.200 -0.117 0.000 0.775 617 S HN 0.653 nan 8.310 nan 0.000 0.499 618 R N 0.765 121.092 120.500 -0.288 0.000 2.280 618 R HA 0.404 4.744 4.340 0.000 0.000 0.195 618 R C 0.572 176.785 176.300 -0.145 0.000 0.935 618 R CA 0.668 56.673 56.100 -0.158 0.000 1.033 618 R CB 0.145 30.377 30.300 -0.114 0.000 0.964 618 R HN 0.420 nan 8.270 nan 0.000 0.489 619 A N 1.560 124.251 122.820 -0.214 0.000 3.030 619 A HA 0.341 4.661 4.320 0.000 0.000 0.335 619 A C -0.515 176.968 177.584 -0.169 0.000 1.089 619 A CA -0.625 51.321 52.037 -0.152 0.000 0.807 619 A CB 0.267 19.186 19.000 -0.136 0.000 1.099 619 A HN 0.088 nan 8.150 nan 0.000 0.474 620 L N 2.518 123.688 121.223 -0.088 0.000 2.418 620 L HA 0.368 4.708 4.340 0.000 0.000 0.274 620 L C 1.104 177.996 176.870 0.037 0.000 1.135 620 L CA 0.091 54.946 54.840 0.026 0.000 0.870 620 L CB 0.831 43.032 42.059 0.237 0.000 1.154 620 L HN 0.770 nan 8.230 nan 0.000 0.462 621 T N -0.255 114.406 114.554 0.179 0.000 2.841 621 T HA 0.398 4.748 4.350 0.000 0.000 0.276 621 T C -0.358 174.404 174.700 0.103 0.000 1.003 621 T CA -0.913 61.233 62.100 0.077 0.000 0.995 621 T CB 1.609 70.553 68.868 0.128 0.000 1.260 621 T HN 0.409 nan 8.240 nan 0.000 0.581 622 Q N -0.304 119.415 119.800 -0.134 0.000 2.352 622 Q HA 0.574 4.914 4.340 0.000 0.000 0.260 622 Q C -0.050 175.678 176.000 -0.454 0.000 0.976 622 Q CA 0.744 56.354 55.803 -0.321 0.000 0.881 622 Q CB 0.239 28.792 28.738 -0.308 0.000 1.235 622 Q HN 1.250 nan 8.270 nan 0.000 0.419 623 G N 2.789 111.010 108.800 -0.964 0.000 2.338 623 G HA2 0.242 4.202 3.960 0.000 0.000 0.295 623 G HA3 0.242 4.202 3.960 0.000 0.000 0.295 623 G C -2.546 171.504 174.900 -1.418 0.000 1.461 623 G CA -0.561 43.567 45.100 -1.619 0.000 0.817 623 G HN 0.452 nan 8.290 nan 0.000 0.556 624 P HA -0.111 nan 4.420 nan 0.000 0.218 624 P C 1.516 178.563 177.300 -0.421 0.000 1.146 624 P CA 2.032 64.865 63.100 -0.445 0.000 0.813 624 P CB -0.122 31.493 31.700 -0.143 0.000 0.778 625 W N -1.955 119.069 121.300 -0.461 0.000 2.425 625 W HA 0.024 4.684 4.660 0.000 0.000 0.277 625 W C 1.005 177.356 176.519 -0.280 0.000 1.231 625 W CA -0.490 56.373 57.345 -0.804 0.000 1.248 625 W CB -1.671 26.782 29.460 -1.678 0.000 1.117 625 W HN -0.118 nan 8.180 nan 0.000 0.568 626 W N 4.543 125.507 121.300 -0.561 0.000 2.585 626 W HA 0.328 4.988 4.660 0.000 0.000 0.337 626 W C -0.469 175.924 176.519 -0.210 0.000 1.226 626 W CA -0.358 56.843 57.345 -0.239 0.000 1.463 626 W CB 0.129 29.427 29.460 -0.269 0.000 1.458 626 W HN -0.027 nan 8.180 nan 0.000 0.458 627 R N 5.935 126.159 120.500 -0.460 0.000 2.754 627 R HA 0.196 4.536 4.340 0.000 0.000 0.255 627 R C -2.602 173.440 176.300 -0.429 0.000 1.723 627 R CA -1.662 54.236 56.100 -0.337 0.000 1.596 627 R CB 0.908 31.090 30.300 -0.197 0.000 1.424 627 R HN 0.136 nan 8.270 nan 0.000 0.662 628 P HA -0.092 nan 4.420 nan 0.000 0.264 628 P C -0.375 176.790 177.300 -0.225 0.000 1.183 628 P CA 0.746 63.576 63.100 -0.450 0.000 0.763 628 P CB 0.691 32.163 31.700 -0.379 0.000 0.807 629 E N 2.575 122.666 120.200 -0.182 0.000 2.369 629 E HA 0.434 4.784 4.350 0.000 0.000 0.270 629 E C -0.469 176.173 176.600 0.070 0.000 0.909 629 E CA -0.952 55.448 56.400 0.000 0.000 0.775 629 E CB 2.365 32.156 29.700 0.153 0.000 1.270 629 E HN 0.312 nan 8.360 nan 0.000 0.445 630 R N 1.188 121.759 120.500 0.119 0.000 2.265 630 R HA 0.374 4.714 4.340 0.000 0.000 0.328 630 R C -0.894 175.510 176.300 0.174 0.000 0.969 630 R CA -0.724 55.446 56.100 0.117 0.000 0.832 630 R CB 0.807 31.142 30.300 0.057 0.000 1.139 630 R HN 0.254 nan 8.270 nan 0.000 0.457 631 L N 3.478 124.848 121.223 0.246 0.000 2.307 631 L HA 0.515 4.855 4.340 0.000 0.000 0.284 631 L C -0.841 176.133 176.870 0.173 0.000 1.023 631 L CA -0.199 54.769 54.840 0.214 0.000 0.810 631 L CB 1.373 43.623 42.059 0.319 0.000 1.231 631 L HN 0.506 nan 8.230 nan 0.000 0.423 632 R N 3.927 124.470 120.500 0.072 0.000 2.480 632 R HA 0.765 5.106 4.340 0.000 0.000 0.306 632 R C -1.601 174.721 176.300 0.038 0.000 0.958 632 R CA -0.786 55.338 56.100 0.040 0.000 0.861 632 R CB 2.188 32.471 30.300 -0.028 0.000 1.171 632 R HN 0.514 nan 8.270 nan 0.000 0.445 633 V N 3.518 123.493 119.914 0.102 0.000 2.531 633 V HA 0.446 4.567 4.120 0.000 0.000 0.301 633 V C -0.209 175.893 176.094 0.013 0.000 1.034 633 V CA -0.844 61.519 62.300 0.104 0.000 0.865 633 V CB 1.865 33.866 31.823 0.296 0.000 0.995 633 V HN 0.616 nan 8.190 nan 0.000 0.424 634 R N 4.687 125.141 120.500 -0.077 0.000 2.265 634 R HA 0.498 4.838 4.340 0.000 0.000 0.328 634 R C -1.095 175.135 176.300 -0.118 0.000 0.969 634 R CA -0.738 55.282 56.100 -0.132 0.000 0.832 634 R CB 1.052 31.270 30.300 -0.136 0.000 1.139 634 R HN 0.541 nan 8.270 nan 0.000 0.457 635 I N 7.320 127.823 120.570 -0.112 0.000 2.308 635 I HA 0.038 4.208 4.170 0.000 0.000 0.293 635 I C 1.369 177.504 176.117 0.030 0.000 1.078 635 I CA 0.159 61.419 61.300 -0.067 0.000 1.292 635 I CB 0.573 38.510 38.000 -0.105 0.000 1.423 635 I HN 0.722 nan 8.210 nan 0.000 0.493 636 I N 4.015 124.617 120.570 0.053 0.000 2.405 636 I HA -0.060 4.110 4.170 0.000 0.000 0.236 636 I C 1.037 177.320 176.117 0.277 0.000 1.071 636 I CA 0.806 62.199 61.300 0.154 0.000 1.398 636 I CB 0.135 38.243 38.000 0.180 0.000 1.162 636 I HN 0.688 nan 8.210 nan 0.000 0.432 637 S N -0.706 115.184 115.700 0.316 0.000 2.638 637 S HA 0.735 5.205 4.470 0.000 0.000 0.274 637 S C -0.538 174.261 174.600 0.332 0.000 1.157 637 S CA -0.564 57.813 58.200 0.295 0.000 0.826 637 S CB 1.713 64.991 63.200 0.130 0.000 1.139 637 S HN 0.240 nan 8.310 nan 0.000 0.474 638 G N -0.112 108.841 108.800 0.253 0.000 2.482 638 G HA2 0.615 4.576 3.960 0.000 0.000 0.317 638 G HA3 0.615 4.576 3.960 0.000 0.000 0.317 638 G C -1.805 173.064 174.900 -0.051 0.000 1.241 638 G CA -0.733 44.483 45.100 0.192 0.000 0.967 638 G HN 0.546 nan 8.290 nan 0.000 0.482 639 Q N 0.531 120.269 119.800 -0.104 0.000 2.325 639 Q HA 0.439 4.779 4.340 0.000 0.000 0.270 639 Q C -0.204 175.668 176.000 -0.213 0.000 1.020 639 Q CA -0.503 55.147 55.803 -0.255 0.000 0.785 639 Q CB 1.931 30.515 28.738 -0.258 0.000 1.259 639 Q HN 0.683 nan 8.270 nan 0.000 0.452 640 Q N 1.484 121.135 119.800 -0.248 0.000 2.439 640 Q HA -0.218 4.122 4.340 0.000 0.000 0.325 640 Q C -0.814 175.135 176.000 -0.084 0.000 1.372 640 Q CA 0.183 55.929 55.803 -0.096 0.000 0.909 640 Q CB -1.479 27.226 28.738 -0.054 0.000 1.167 640 Q HN 0.602 nan 8.270 nan 0.000 0.418 641 L N 1.990 123.170 121.223 -0.073 0.000 2.513 641 L HA 0.163 4.503 4.340 0.000 0.000 0.272 641 L C -1.266 175.543 176.870 -0.102 0.000 1.187 641 L CA -1.479 53.309 54.840 -0.086 0.000 0.895 641 L CB -0.410 41.635 42.059 -0.024 0.000 1.147 641 L HN 0.057 nan 8.230 nan 0.000 0.483 642 P HA 0.020 nan 4.420 nan 0.000 0.268 642 P C -0.828 176.426 177.300 -0.077 0.000 1.204 642 P CA -0.438 62.554 63.100 -0.180 0.000 0.768 642 P CB 0.845 32.295 31.700 -0.416 0.000 0.842 643 K N 3.519 123.905 120.400 -0.024 0.000 2.263 643 K HA 0.172 4.492 4.320 0.000 0.000 0.282 643 K C 0.824 177.441 176.600 0.027 0.000 1.089 643 K CA -0.427 55.864 56.287 0.007 0.000 0.907 643 K CB -0.373 32.135 32.500 0.014 0.000 1.148 643 K HN 0.244 nan 8.250 nan 0.000 0.470 644 V N 1.657 121.597 119.914 0.043 0.000 2.231 644 V HA -0.061 4.059 4.120 0.000 0.000 0.240 644 V C 0.578 176.710 176.094 0.064 0.000 1.039 644 V CA 0.459 62.805 62.300 0.077 0.000 0.998 644 V CB -1.453 30.435 31.823 0.109 0.000 0.639 644 V HN 0.898 nan 8.190 nan 0.000 0.451 645 N N 0.782 119.516 118.700 0.057 0.000 3.909 645 N HA -0.257 4.484 4.740 0.000 0.000 0.333 645 N C 0.483 176.015 175.510 0.037 0.000 1.335 645 N CA 1.342 54.418 53.050 0.044 0.000 3.110 645 N CB -0.059 38.450 38.487 0.035 0.000 0.326 645 N HN 0.736 nan 8.380 nan 0.000 0.933 646 K N 2.137 122.556 120.400 0.031 0.000 2.520 646 K HA -0.097 4.223 4.320 0.000 0.000 0.205 646 K C 0.517 177.129 176.600 0.020 0.000 1.035 646 K CA 0.124 56.425 56.287 0.024 0.000 1.188 646 K CB -0.378 32.135 32.500 0.021 0.000 0.894 646 K HN 0.679 nan 8.250 nan 0.000 0.497 647 N N 2.035 120.748 118.700 0.021 0.000 1.755 647 N HA -0.265 4.475 4.740 0.000 0.000 0.158 647 N C -1.772 173.748 175.510 0.016 0.000 0.881 647 N CA 1.816 54.876 53.050 0.017 0.000 0.957 647 N CB -0.753 37.743 38.487 0.014 0.000 1.145 647 N HN 0.312 nan 8.380 nan 0.000 0.582 648 K N 0.620 121.028 120.400 0.014 0.000 6.281 648 K HA -0.217 4.103 4.320 0.000 0.000 0.629 648 K C -0.690 175.920 176.600 0.017 0.000 1.517 648 K CA 1.557 57.852 56.287 0.014 0.000 1.607 648 K CB -2.341 30.166 32.500 0.012 0.000 1.837 648 K HN 1.688 nan 8.250 nan 0.000 0.354 649 N N 0.887 119.597 118.700 0.017 0.000 2.650 649 N HA -0.200 4.540 4.740 0.000 0.000 0.272 649 N C -0.640 174.884 175.510 0.022 0.000 1.058 649 N CA 1.491 54.553 53.050 0.020 0.000 0.765 649 N CB -1.925 36.577 38.487 0.025 0.000 0.902 649 N HN 0.526 nan 8.380 nan 0.000 0.551 650 S N -0.484 115.226 115.700 0.018 0.000 3.227 650 S HA 0.206 4.676 4.470 0.000 0.000 0.249 650 S C 0.355 174.966 174.600 0.018 0.000 1.322 650 S CA -0.552 57.659 58.200 0.019 0.000 1.253 650 S CB -0.026 63.183 63.200 0.015 0.000 1.076 650 S HN 0.540 nan 8.310 nan 0.000 0.471 651 I N 2.845 123.429 120.570 0.023 0.000 2.439 651 I HA 0.274 4.444 4.170 0.000 0.000 0.285 651 I C 0.013 176.149 176.117 0.032 0.000 1.021 651 I CA -1.766 59.547 61.300 0.022 0.000 1.091 651 I CB 1.596 39.606 38.000 0.018 0.000 1.242 651 I HN 0.104 nan 8.210 nan 0.000 0.439 652 V N 5.496 125.429 119.914 0.033 0.000 3.061 652 V HA 0.096 4.216 4.120 0.000 0.000 0.306 652 V C -0.153 175.976 176.094 0.059 0.000 1.118 652 V CA -0.140 62.189 62.300 0.048 0.000 1.231 652 V CB 0.033 31.881 31.823 0.042 0.000 0.956 652 V HN 0.630 nan 8.190 nan 0.000 0.499 653 D N 3.249 123.707 120.400 0.096 0.000 2.441 653 D HA 0.346 4.986 4.640 0.000 0.000 0.287 653 D C -2.626 173.776 176.300 0.170 0.000 1.198 653 D CA -1.019 53.050 54.000 0.116 0.000 0.894 653 D CB 0.983 41.882 40.800 0.164 0.000 1.070 653 D HN 0.495 nan 8.370 nan 0.000 0.499 654 P HA 0.190 nan 4.420 nan 0.000 0.278 654 P C -0.432 177.167 177.300 0.499 0.000 1.238 654 P CA -0.449 62.837 63.100 0.311 0.000 0.794 654 P CB 1.400 33.322 31.700 0.370 0.000 0.955 655 K N 0.415 121.007 120.400 0.319 0.000 2.480 655 K HA 0.708 5.028 4.320 0.000 0.000 0.258 655 K C -1.590 174.916 176.600 -0.157 0.000 0.990 655 K CA -1.130 55.255 56.287 0.163 0.000 0.857 655 K CB 1.631 34.216 32.500 0.142 0.000 1.384 655 K HN 0.121 nan 8.250 nan 0.000 0.446 656 V N 2.200 121.881 119.914 -0.389 0.000 2.656 656 V HA 0.462 4.582 4.120 0.000 0.000 0.307 656 V C -0.571 175.447 176.094 -0.127 0.000 1.051 656 V CA -0.932 61.173 62.300 -0.324 0.000 0.893 656 V CB 1.662 33.157 31.823 -0.548 0.000 0.999 656 V HN 0.659 nan 8.190 nan 0.000 0.426 657 I N 4.321 124.855 120.570 -0.060 0.000 2.404 657 I HA 0.557 4.727 4.170 0.000 0.000 0.293 657 I C -0.529 175.566 176.117 -0.037 0.000 0.992 657 I CA -0.709 60.556 61.300 -0.059 0.000 1.149 657 I CB 1.887 39.869 38.000 -0.030 0.000 1.315 657 I HN 0.249 nan 8.210 nan 0.000 0.446 658 V N 6.004 125.852 119.914 -0.111 0.000 2.487 658 V HA 0.407 4.527 4.120 0.000 0.000 0.298 658 V C -0.225 175.724 176.094 -0.242 0.000 1.028 658 V CA -0.594 61.631 62.300 -0.126 0.000 0.860 658 V CB 2.094 33.956 31.823 0.065 0.000 0.991 658 V HN 0.736 nan 8.190 nan 0.000 0.427 659 E N 4.585 124.593 120.200 -0.319 0.000 2.288 659 E HA 0.600 4.950 4.350 0.000 0.000 0.268 659 E C -1.398 174.892 176.600 -0.517 0.000 0.885 659 E CA -0.881 55.278 56.400 -0.402 0.000 0.767 659 E CB 2.651 32.174 29.700 -0.295 0.000 1.220 659 E HN 0.350 nan 8.360 nan 0.000 0.427 660 I N 2.864 123.070 120.570 -0.606 0.000 2.362 660 I HA 0.243 4.413 4.170 0.000 0.000 0.289 660 I C -0.320 175.536 176.117 -0.434 0.000 0.994 660 I CA -0.541 60.485 61.300 -0.457 0.000 1.158 660 I CB 0.666 38.395 38.000 -0.451 0.000 1.315 660 I HN 0.476 nan 8.210 nan 0.000 0.451 661 H N 4.280 123.289 119.070 -0.102 0.000 2.469 661 H HA 0.771 5.327 4.556 0.000 0.000 0.342 661 H C 0.404 175.724 175.328 -0.013 0.000 1.115 661 H CA -0.416 55.606 56.048 -0.043 0.000 1.204 661 H CB 2.519 32.274 29.762 -0.012 0.000 1.492 661 H HN 0.850 nan 8.280 nan 0.000 0.499 662 G N 0.927 109.784 108.800 0.096 0.000 2.452 662 G HA2 0.134 4.094 3.960 0.000 0.000 0.224 662 G HA3 0.134 4.094 3.960 0.000 0.000 0.224 662 G C -0.539 174.396 174.900 0.058 0.000 1.208 662 G CA -0.211 44.933 45.100 0.074 0.000 0.946 662 G HN 0.567 nan 8.290 nan 0.000 0.481 663 V N 0.795 120.739 119.914 0.051 0.000 2.901 663 V HA 0.483 4.603 4.120 0.000 0.000 0.307 663 V C 1.856 177.963 176.094 0.022 0.000 1.084 663 V CA 1.324 63.657 62.300 0.056 0.000 1.184 663 V CB 0.564 32.436 31.823 0.083 0.000 0.941 663 V HN 2.025 nan 8.190 nan 0.000 0.493 664 G N 2.784 111.594 108.800 0.016 0.000 2.503 664 G HA2 -0.318 3.642 3.960 0.000 0.000 0.221 664 G HA3 -0.318 3.642 3.960 0.000 0.000 0.221 664 G C 1.505 176.407 174.900 0.004 0.000 1.131 664 G CA 1.069 46.171 45.100 0.005 0.000 0.756 664 G HN 0.977 nan 8.290 nan 0.000 0.572 665 R N 0.201 120.711 120.500 0.017 0.000 2.152 665 R HA -0.071 4.269 4.340 0.000 0.000 0.232 665 R C 1.266 177.568 176.300 0.004 0.000 1.117 665 R CA 1.639 57.755 56.100 0.027 0.000 0.981 665 R CB -0.091 30.250 30.300 0.068 0.000 0.870 665 R HN 0.216 nan 8.270 nan 0.000 0.451 666 D N 0.077 120.464 120.400 -0.021 0.000 2.366 666 D HA -0.027 4.613 4.640 0.000 0.000 0.205 666 D C 0.211 176.474 176.300 -0.061 0.000 1.022 666 D CA 0.620 54.590 54.000 -0.050 0.000 0.868 666 D CB 0.247 40.990 40.800 -0.094 0.000 0.953 666 D HN 0.300 nan 8.370 nan 0.000 0.514 667 T N -0.671 113.846 114.554 -0.062 0.000 2.902 667 T HA 0.468 4.818 4.350 0.000 0.000 0.301 667 T C 0.518 175.159 174.700 -0.098 0.000 1.012 667 T CA -0.309 61.723 62.100 -0.113 0.000 1.151 667 T CB 1.511 70.320 68.868 -0.097 0.000 0.946 667 T HN 0.060 nan 8.240 nan 0.000 0.542 668 G N 0.521 109.225 108.800 -0.159 0.000 2.677 668 G HA2 0.570 4.530 3.960 0.000 0.000 0.291 668 G HA3 0.570 4.530 3.960 0.000 0.000 0.291 668 G C -1.394 173.420 174.900 -0.145 0.000 1.435 668 G CA -0.704 44.356 45.100 -0.066 0.000 0.826 668 G HN 0.975 nan 8.290 nan 0.000 0.491 669 S N -0.507 115.168 115.700 -0.042 0.000 2.541 669 S HA 0.860 5.330 4.470 0.000 0.000 0.271 669 S C -1.184 173.371 174.600 -0.074 0.000 1.133 669 S CA -0.832 57.313 58.200 -0.092 0.000 0.876 669 S CB 1.614 64.748 63.200 -0.110 0.000 1.105 669 S HN 0.661 nan 8.310 nan 0.000 0.470 670 R N 1.965 122.337 120.500 -0.214 0.000 2.707 670 R HA 0.479 4.820 4.340 0.000 0.000 0.272 670 R C -1.315 174.661 176.300 -0.539 0.000 1.011 670 R CA -0.655 55.156 56.100 -0.482 0.000 0.893 670 R CB 1.746 31.394 30.300 -1.088 0.000 1.233 670 R HN 0.913 nan 8.270 nan 0.000 0.464 671 Q N -0.632 118.955 119.800 -0.354 0.000 2.421 671 Q HA 0.568 4.908 4.340 0.000 0.000 0.280 671 Q C -0.620 175.479 176.000 0.165 0.000 1.085 671 Q CA -0.853 54.888 55.803 -0.102 0.000 0.807 671 Q CB 2.197 30.915 28.738 -0.034 0.000 1.405 671 Q HN 0.634 nan 8.270 nan 0.000 0.419 672 T N -1.073 113.587 114.554 0.177 0.000 2.810 672 T HA 0.742 5.092 4.350 0.000 0.000 0.277 672 T C 0.539 175.328 174.700 0.150 0.000 0.973 672 T CA -0.113 62.092 62.100 0.175 0.000 0.949 672 T CB 0.959 69.737 68.868 -0.150 0.000 1.075 672 T HN 0.802 nan 8.240 nan 0.000 0.537 673 A N 0.361 123.319 122.820 0.230 0.000 2.310 673 A HA 0.597 4.917 4.320 0.000 0.000 0.260 673 A C 0.083 177.843 177.584 0.293 0.000 1.112 673 A CA -0.742 51.411 52.037 0.194 0.000 0.804 673 A CB -0.066 19.037 19.000 0.171 0.000 1.081 673 A HN 0.825 nan 8.150 nan 0.000 0.499 674 V N 1.163 121.159 119.914 0.138 0.000 2.472 674 V HA 0.285 4.405 4.120 0.000 0.000 0.290 674 V C -0.433 175.699 176.094 0.062 0.000 1.037 674 V CA -0.507 61.874 62.300 0.134 0.000 0.908 674 V CB 1.302 33.056 31.823 -0.114 0.000 0.985 674 V HN 0.569 nan 8.190 nan 0.000 0.454 675 I N 3.990 124.583 120.570 0.037 0.000 2.312 675 I HA 0.257 4.427 4.170 0.000 0.000 0.290 675 I C 0.734 176.807 176.117 -0.073 0.000 1.008 675 I CA -0.077 61.130 61.300 -0.154 0.000 1.226 675 I CB 1.331 39.066 38.000 -0.443 0.000 1.371 675 I HN 0.773 nan 8.210 nan 0.000 0.468 676 T N 3.412 117.929 114.554 -0.062 0.000 2.869 676 T HA 0.223 4.574 4.350 0.000 0.000 0.295 676 T C 0.643 175.327 174.700 -0.026 0.000 0.987 676 T CA -0.224 61.865 62.100 -0.018 0.000 1.109 676 T CB 0.227 69.095 68.868 -0.001 0.000 0.932 676 T HN 0.546 nan 8.240 nan 0.000 0.518 677 N N 1.455 120.157 118.700 0.003 0.000 2.740 677 N HA -0.184 4.556 4.740 0.000 0.000 0.248 677 N C -1.082 174.407 175.510 -0.034 0.000 1.062 677 N CA 1.023 54.072 53.050 -0.001 0.000 0.704 677 N CB -1.481 37.011 38.487 0.008 0.000 0.968 677 N HN 0.885 nan 8.380 nan 0.000 0.547 678 N N -1.153 117.517 118.700 -0.051 0.000 2.503 678 N HA 0.565 5.305 4.740 0.000 0.000 0.287 678 N C 0.559 176.031 175.510 -0.064 0.000 1.096 678 N CA 0.201 53.201 53.050 -0.083 0.000 0.936 678 N CB 1.167 39.552 38.487 -0.171 0.000 1.570 678 N HN 0.082 nan 8.380 nan 0.000 0.504 679 G N 1.263 110.055 108.800 -0.013 0.000 2.801 679 G HA2 -0.007 3.953 3.960 0.000 0.000 0.213 679 G HA3 -0.007 3.953 3.960 0.000 0.000 0.213 679 G C 0.695 175.597 174.900 0.004 0.000 1.052 679 G CA -0.101 44.999 45.100 -0.001 0.000 0.868 679 G HN 0.474 nan 8.290 nan 0.000 0.589 680 F N 3.090 122.967 119.950 -0.122 0.000 2.234 680 F HA 0.081 4.608 4.527 0.000 0.000 0.299 680 F C 0.933 176.647 175.800 -0.145 0.000 1.087 680 F CA 1.423 59.346 58.000 -0.128 0.000 1.340 680 F CB 0.462 39.375 39.000 -0.144 0.000 1.031 680 F HN 0.302 nan 8.300 nan 0.000 0.500 681 N N -1.846 116.672 118.700 -0.302 0.000 2.704 681 N HA 0.122 4.862 4.740 0.000 0.000 0.226 681 N C -3.289 172.028 175.510 -0.321 0.000 1.368 681 N CA -1.242 51.571 53.050 -0.396 0.000 1.385 681 N CB -1.172 37.021 38.487 -0.489 0.000 1.500 681 N HN -0.001 nan 8.380 nan 0.000 0.580 682 P HA 0.076 nan 4.420 nan 0.000 0.268 682 P C -0.499 176.418 177.300 -0.638 0.000 1.208 682 P CA 0.117 62.849 63.100 -0.614 0.000 0.777 682 P CB 1.041 32.192 31.700 -0.914 0.000 0.875 683 R N 2.359 122.469 120.500 -0.649 0.000 2.532 683 R HA 0.278 4.618 4.340 0.000 0.000 0.297 683 R C -0.015 176.071 176.300 -0.356 0.000 0.984 683 R CA -0.603 55.296 56.100 -0.335 0.000 0.884 683 R CB 0.962 31.156 30.300 -0.175 0.000 1.182 683 R HN 0.520 nan 8.270 nan 0.000 0.442 684 W N 1.560 122.843 121.300 -0.027 0.000 2.798 684 W HA 0.125 4.785 4.660 0.000 0.000 0.260 684 W C -0.105 176.386 176.519 -0.048 0.000 1.165 684 W CA 0.140 57.465 57.345 -0.033 0.000 1.501 684 W CB 0.388 29.832 29.460 -0.025 0.000 1.023 684 W HN 0.636 nan 8.180 nan 0.000 0.615 685 D N 1.083 121.608 120.400 0.207 0.000 2.697 685 D HA -0.206 4.434 4.640 0.000 0.000 0.238 685 D C -0.445 175.862 176.300 0.011 0.000 1.152 685 D CA 1.138 55.186 54.000 0.081 0.000 0.666 685 D CB -1.096 39.735 40.800 0.052 0.000 1.037 685 D HN 0.038 nan 8.370 nan 0.000 0.423 686 M N 0.922 120.493 119.600 -0.048 0.000 2.465 686 M HA 0.421 4.901 4.480 0.000 0.000 0.316 686 M C -0.884 175.140 176.300 -0.460 0.000 1.121 686 M CA -0.431 54.728 55.300 -0.235 0.000 0.934 686 M CB 2.031 34.484 32.600 -0.244 0.000 1.692 686 M HN 0.046 nan 8.290 nan 0.000 0.444 687 E N 3.324 123.215 120.200 -0.516 0.000 2.248 687 E HA 0.589 4.939 4.350 0.000 0.000 0.267 687 E C -1.965 174.287 176.600 -0.580 0.000 0.877 687 E CA -0.543 55.565 56.400 -0.487 0.000 0.759 687 E CB 1.241 30.804 29.700 -0.229 0.000 1.182 687 E HN 0.625 nan 8.360 nan 0.000 0.418 688 F N 1.575 121.462 119.950 -0.104 0.000 2.546 688 F HA 0.411 4.938 4.527 0.000 0.000 0.320 688 F C 0.185 175.768 175.800 -0.361 0.000 1.076 688 F CA -0.894 56.941 58.000 -0.275 0.000 0.928 688 F CB 1.835 40.642 39.000 -0.323 0.000 1.189 688 F HN 0.330 nan 8.300 nan 0.000 0.465 689 E N 2.486 122.490 120.200 -0.327 0.000 2.222 689 E HA 0.525 4.875 4.350 0.000 0.000 0.267 689 E C -1.996 174.294 176.600 -0.517 0.000 0.884 689 E CA -0.440 55.802 56.400 -0.264 0.000 0.764 689 E CB 1.604 31.233 29.700 -0.118 0.000 1.169 689 E HN 0.474 nan 8.360 nan 0.000 0.413 690 F N 1.204 121.193 119.950 0.065 0.000 2.563 690 F HA 0.358 4.885 4.527 0.000 0.000 0.316 690 F C 0.456 176.279 175.800 0.038 0.000 1.076 690 F CA -0.879 57.147 58.000 0.043 0.000 0.921 690 F CB 1.786 40.814 39.000 0.047 0.000 1.209 690 F HN 0.262 nan 8.300 nan 0.000 0.462 691 E N 1.726 122.038 120.200 0.186 0.000 2.151 691 E HA 0.550 4.900 4.350 0.000 0.000 0.275 691 E C -1.575 175.024 176.600 -0.001 0.000 0.936 691 E CA -0.462 55.978 56.400 0.067 0.000 0.777 691 E CB 2.055 31.765 29.700 0.016 0.000 1.108 691 E HN 0.410 nan 8.360 nan 0.000 0.401 692 V N 3.964 123.812 119.914 -0.110 0.000 2.376 692 V HA 0.092 4.212 4.120 0.000 0.000 0.287 692 V C 1.165 176.997 176.094 -0.437 0.000 1.015 692 V CA -0.359 61.768 62.300 -0.289 0.000 0.834 692 V CB 1.421 32.962 31.823 -0.469 0.000 1.001 692 V HN 0.878 nan 8.190 nan 0.000 0.428 693 T N 1.435 115.710 114.554 -0.466 0.000 3.035 693 T HA 0.052 4.403 4.350 0.000 0.000 0.259 693 T C 0.536 174.864 174.700 -0.620 0.000 1.078 693 T CA 0.450 62.096 62.100 -0.758 0.000 1.132 693 T CB 0.211 68.488 68.868 -0.985 0.000 0.900 693 T HN 0.359 nan 8.240 nan 0.000 0.480 694 V N 3.187 122.868 119.914 -0.389 0.000 2.454 694 V HA 0.308 4.428 4.120 0.000 0.000 0.255 694 V C -1.781 174.118 176.094 -0.325 0.000 1.009 694 V CA -1.603 60.556 62.300 -0.236 0.000 1.149 694 V CB 0.930 32.752 31.823 -0.003 0.000 1.418 694 V HN 0.179 nan 8.190 nan 0.000 0.567 695 P HA -0.162 nan 4.420 nan 0.000 0.220 695 P C 0.900 177.893 177.300 -0.511 0.000 1.144 695 P CA 1.235 63.743 63.100 -0.987 0.000 0.800 695 P CB 0.457 31.221 31.700 -1.560 0.000 0.772 696 D N -0.680 119.583 120.400 -0.228 0.000 2.310 696 D HA -0.013 4.627 4.640 0.000 0.000 0.212 696 D C 1.620 177.889 176.300 -0.052 0.000 0.965 696 D CA 0.788 54.751 54.000 -0.061 0.000 0.879 696 D CB -0.031 40.823 40.800 0.089 0.000 0.921 696 D HN 0.299 nan 8.370 nan 0.000 0.510 697 L N -0.316 120.883 121.223 -0.040 0.000 2.808 697 L HA 0.321 4.662 4.340 0.000 0.000 0.246 697 L C 0.671 177.552 176.870 0.019 0.000 1.153 697 L CA -0.290 54.550 54.840 0.000 0.000 0.956 697 L CB 0.569 42.675 42.059 0.079 0.000 1.270 697 L HN -0.172 nan 8.230 nan 0.000 0.528 698 A N 0.724 123.531 122.820 -0.022 0.000 2.279 698 A HA 0.786 5.106 4.320 0.000 0.000 0.303 698 A C -0.748 176.918 177.584 0.137 0.000 1.108 698 A CA -0.168 51.892 52.037 0.039 0.000 0.830 698 A CB 0.868 19.831 19.000 -0.062 0.000 1.106 698 A HN 0.142 nan 8.150 nan 0.000 0.493 699 L N 0.688 122.000 121.223 0.148 0.000 2.445 699 L HA 0.533 4.873 4.340 0.000 0.000 0.262 699 L C -0.819 176.108 176.870 0.095 0.000 0.974 699 L CA -0.473 54.440 54.840 0.121 0.000 0.822 699 L CB 2.307 44.424 42.059 0.098 0.000 1.339 699 L HN 0.400 nan 8.230 nan 0.000 0.409 700 V N 2.187 122.097 119.914 -0.007 0.000 2.417 700 V HA 0.599 4.719 4.120 0.000 0.000 0.291 700 V C -0.268 175.673 176.094 -0.255 0.000 1.024 700 V CA -0.594 61.596 62.300 -0.183 0.000 0.861 700 V CB 1.678 33.327 31.823 -0.290 0.000 0.985 700 V HN 0.710 nan 8.190 nan 0.000 0.436 701 R N 3.693 124.033 120.500 -0.267 0.000 2.599 701 R HA 0.636 4.976 4.340 0.000 0.000 0.295 701 R C -1.845 174.249 176.300 -0.342 0.000 0.963 701 R CA -0.536 55.451 56.100 -0.189 0.000 0.883 701 R CB 1.349 31.693 30.300 0.074 0.000 1.171 701 R HN 0.505 nan 8.270 nan 0.000 0.450 702 F N 4.461 124.437 119.950 0.045 0.000 2.426 702 F HA 0.458 4.985 4.527 0.000 0.000 0.348 702 F C 0.204 176.009 175.800 0.009 0.000 1.124 702 F CA -0.615 57.391 58.000 0.009 0.000 1.008 702 F CB 1.879 40.880 39.000 0.002 0.000 1.139 702 F HN 0.323 nan 8.300 nan 0.000 0.452 703 M N 4.461 124.135 119.600 0.123 0.000 2.326 703 M HA 0.701 5.181 4.480 0.000 0.000 0.306 703 M C -1.963 174.309 176.300 -0.048 0.000 1.054 703 M CA -0.667 54.661 55.300 0.047 0.000 0.922 703 M CB 1.566 34.222 32.600 0.093 0.000 1.632 703 M HN 0.271 nan 8.290 nan 0.000 0.436 704 V N 4.229 124.047 119.914 -0.160 0.000 2.370 704 V HA 0.488 4.608 4.120 0.000 0.000 0.283 704 V C -0.400 175.583 176.094 -0.185 0.000 1.023 704 V CA -0.564 61.638 62.300 -0.164 0.000 0.857 704 V CB 1.300 33.033 31.823 -0.150 0.000 0.985 704 V HN 0.873 nan 8.190 nan 0.000 0.443 705 E N 2.201 122.369 120.200 -0.054 0.000 2.235 705 E HA 0.408 4.758 4.350 0.000 0.000 0.265 705 E C -1.238 175.405 176.600 0.071 0.000 0.940 705 E CA -0.821 55.585 56.400 0.010 0.000 0.819 705 E CB 2.126 31.868 29.700 0.070 0.000 1.206 705 E HN 0.656 nan 8.360 nan 0.000 0.409 706 D N 1.573 122.024 120.400 0.084 0.000 2.373 706 D HA 0.071 4.711 4.640 0.000 0.000 0.227 706 D C -1.367 175.022 176.300 0.149 0.000 1.091 706 D CA -0.437 53.632 54.000 0.114 0.000 0.840 706 D CB 0.230 41.077 40.800 0.078 0.000 1.060 706 D HN 0.333 nan 8.370 nan 0.000 0.502 707 Y N 3.364 123.702 120.300 0.063 0.000 2.442 707 Y HA 0.232 4.783 4.550 0.000 0.000 0.330 707 Y C -0.584 175.346 175.900 0.050 0.000 1.129 707 Y CA 0.374 58.510 58.100 0.059 0.000 1.365 707 Y CB 0.602 39.102 38.460 0.068 0.000 1.233 707 Y HN 0.239 nan 8.280 nan 0.000 0.529 708 D N 4.356 124.404 120.400 -0.588 0.000 2.549 708 D HA 0.109 4.749 4.640 0.000 0.000 0.251 708 D C 0.501 176.311 176.300 -0.818 0.000 1.153 708 D CA -0.123 53.591 54.000 -0.477 0.000 0.861 708 D CB 2.007 42.682 40.800 -0.208 0.000 1.207 708 D HN 0.761 nan 8.370 nan 0.000 0.543 709 S N 0.910 116.203 115.700 -0.679 0.000 2.370 709 S HA -0.192 4.278 4.470 0.000 0.000 0.226 709 S C 1.744 176.218 174.600 -0.211 0.000 1.033 709 S CA 1.172 59.125 58.200 -0.411 0.000 1.011 709 S CB -0.079 63.113 63.200 -0.014 0.000 0.852 709 S HN 0.433 nan 8.310 nan 0.000 0.457 710 S N 1.677 117.285 115.700 -0.153 0.000 2.421 710 S HA 0.158 4.629 4.470 0.000 0.000 0.224 710 S C 1.215 175.767 174.600 -0.081 0.000 1.035 710 S CA 0.249 58.400 58.200 -0.082 0.000 0.953 710 S CB -0.339 62.833 63.200 -0.047 0.000 0.810 710 S HN 0.712 nan 8.310 nan 0.000 0.497 711 S N 0.986 116.623 115.700 -0.105 0.000 2.766 711 S HA 0.547 5.017 4.470 0.000 0.000 0.307 711 S C -0.508 174.041 174.600 -0.085 0.000 1.121 711 S CA -0.963 57.194 58.200 -0.073 0.000 0.980 711 S CB 1.286 64.458 63.200 -0.047 0.000 1.159 711 S HN 0.279 nan 8.310 nan 0.000 0.546 712 K N 0.626 121.001 120.400 -0.041 0.000 2.355 712 K HA 0.091 4.411 4.320 0.000 0.000 0.270 712 K C -0.632 175.954 176.600 -0.024 0.000 1.003 712 K CA -0.346 55.928 56.287 -0.023 0.000 0.957 712 K CB 0.111 32.615 32.500 0.007 0.000 0.939 712 K HN 0.610 nan 8.250 nan 0.000 0.482 713 N N 3.376 122.072 118.700 -0.007 0.000 2.475 713 N HA 0.027 4.767 4.740 0.000 0.000 0.267 713 N C -0.878 174.672 175.510 0.067 0.000 1.169 713 N CA -0.004 53.056 53.050 0.017 0.000 0.947 713 N CB 0.604 39.127 38.487 0.060 0.000 1.061 713 N HN 0.497 nan 8.380 nan 0.000 0.466 714 D N 0.794 121.236 120.400 0.070 0.000 2.423 714 D HA 0.012 4.652 4.640 0.000 0.000 0.238 714 D C -0.148 176.246 176.300 0.156 0.000 1.142 714 D CA 0.099 54.167 54.000 0.113 0.000 0.884 714 D CB 0.405 41.261 40.800 0.093 0.000 1.199 714 D HN 0.354 nan 8.370 nan 0.000 0.438 715 F N 1.744 121.721 119.950 0.045 0.000 2.427 715 F HA 0.285 4.812 4.527 0.000 0.000 0.352 715 F C 0.503 176.340 175.800 0.062 0.000 1.100 715 F CA -0.230 57.802 58.000 0.053 0.000 1.191 715 F CB 0.408 39.436 39.000 0.047 0.000 1.128 715 F HN 0.309 nan 8.300 nan 0.000 0.533 716 I N 3.373 123.613 120.570 -0.549 0.000 3.194 716 I HA 0.391 4.561 4.170 0.000 0.000 0.271 716 I C 1.094 176.896 176.117 -0.526 0.000 1.150 716 I CA 0.449 61.538 61.300 -0.351 0.000 1.440 716 I CB 0.030 37.907 38.000 -0.205 0.000 1.276 716 I HN 0.729 nan 8.210 nan 0.000 0.457 717 G N -0.288 107.960 108.800 -0.920 0.000 2.523 717 G HA2 0.521 4.481 3.960 0.000 0.000 0.291 717 G HA3 0.521 4.481 3.960 0.000 0.000 0.291 717 G C -2.071 172.592 174.900 -0.396 0.000 1.450 717 G CA -0.220 44.605 45.100 -0.460 0.000 0.790 717 G HN -0.079 nan 8.290 nan 0.000 0.496 718 Q N -0.774 119.060 119.800 0.057 0.000 2.630 718 Q HA 0.711 5.051 4.340 0.000 0.000 0.295 718 Q C -1.946 174.181 176.000 0.212 0.000 0.944 718 Q CA -0.696 55.213 55.803 0.177 0.000 0.766 718 Q CB 2.015 30.998 28.738 0.409 0.000 1.471 718 Q HN 1.065 nan 8.270 nan 0.000 0.416 719 S N 0.419 116.261 115.700 0.236 0.000 2.592 719 S HA 0.608 5.078 4.470 0.000 0.000 0.275 719 S C -1.778 172.970 174.600 0.247 0.000 1.169 719 S CA -0.168 58.187 58.200 0.259 0.000 0.958 719 S CB 1.533 64.918 63.200 0.309 0.000 1.095 719 S HN 0.510 nan 8.310 nan 0.000 0.471 720 T N 5.168 119.847 114.554 0.208 0.000 2.812 720 T HA 0.604 4.954 4.350 0.000 0.000 0.282 720 T C -0.704 174.133 174.700 0.228 0.000 0.990 720 T CA -0.341 61.848 62.100 0.148 0.000 0.960 720 T CB 0.566 69.482 68.868 0.081 0.000 0.948 720 T HN 0.547 nan 8.240 nan 0.000 0.438 721 I N 4.962 125.614 120.570 0.137 0.000 2.447 721 I HA 0.342 4.512 4.170 0.000 0.000 0.287 721 I C -2.524 173.560 176.117 -0.055 0.000 1.023 721 I CA -2.821 58.517 61.300 0.064 0.000 1.083 721 I CB 2.363 40.372 38.000 0.016 0.000 1.245 721 I HN 0.287 nan 8.210 nan 0.000 0.434 722 P HA -0.093 nan 4.420 nan 0.000 0.268 722 P C 0.634 177.912 177.300 -0.037 0.000 1.204 722 P CA -0.047 63.020 63.100 -0.054 0.000 0.768 722 P CB 0.667 32.309 31.700 -0.097 0.000 0.842 723 W N 4.388 125.614 121.300 -0.123 0.000 2.290 723 W HA -0.285 4.375 4.660 0.000 0.000 0.323 723 W C 0.805 177.266 176.519 -0.097 0.000 1.260 723 W CA 1.937 59.218 57.345 -0.106 0.000 1.266 723 W CB -0.799 28.611 29.460 -0.084 0.000 1.149 723 W HN 0.369 nan 8.180 nan 0.000 0.482 724 N N 0.137 118.962 118.700 0.208 0.000 2.571 724 N HA -0.077 4.663 4.740 0.000 0.000 0.189 724 N C 1.204 176.757 175.510 0.072 0.000 1.154 724 N CA 1.202 54.339 53.050 0.146 0.000 0.907 724 N CB -0.155 38.447 38.487 0.193 0.000 0.977 724 N HN 0.036 nan 8.380 nan 0.000 0.449 725 S N 0.051 115.697 115.700 -0.089 0.000 2.539 725 S HA 0.158 4.628 4.470 0.000 0.000 0.221 725 S C 0.354 174.695 174.600 -0.431 0.000 0.987 725 S CA -0.509 57.553 58.200 -0.230 0.000 0.929 725 S CB 0.590 63.478 63.200 -0.520 0.000 0.832 725 S HN 0.118 nan 8.310 nan 0.000 0.492 726 L N 3.903 124.896 121.223 -0.384 0.000 2.385 726 L HA 0.264 4.604 4.340 0.000 0.000 0.281 726 L C -0.056 176.623 176.870 -0.317 0.000 1.106 726 L CA 0.134 54.756 54.840 -0.362 0.000 0.856 726 L CB 0.005 41.779 42.059 -0.474 0.000 1.186 726 L HN -0.157 nan 8.230 nan 0.000 0.453 727 K N 4.343 124.602 120.400 -0.235 0.000 2.237 727 K HA 0.243 4.563 4.320 0.000 0.000 0.270 727 K C -0.159 176.322 176.600 -0.199 0.000 1.015 727 K CA -0.186 55.983 56.287 -0.197 0.000 0.949 727 K CB 0.719 33.139 32.500 -0.133 0.000 0.976 727 K HN 0.648 nan 8.250 nan 0.000 0.472 728 Q N -0.295 119.387 119.800 -0.196 0.000 2.195 728 Q HA 0.572 4.913 4.340 0.000 0.000 0.250 728 Q C 0.472 176.334 176.000 -0.231 0.000 0.988 728 Q CA -0.600 55.072 55.803 -0.218 0.000 0.911 728 Q CB 1.217 29.827 28.738 -0.214 0.000 1.258 728 Q HN 0.796 nan 8.270 nan 0.000 0.475 729 G N -0.334 108.283 108.800 -0.306 0.000 2.527 729 G HA2 -0.266 3.694 3.960 0.000 0.000 0.227 729 G HA3 -0.266 3.694 3.960 0.000 0.000 0.227 729 G C -1.396 173.233 174.900 -0.453 0.000 1.291 729 G CA -0.706 44.152 45.100 -0.404 0.000 0.904 729 G HN 0.450 nan 8.290 nan 0.000 0.577 730 Y N 2.407 122.597 120.300 -0.184 0.000 2.336 730 Y HA 0.697 5.247 4.550 0.000 0.000 0.335 730 Y C 1.377 177.121 175.900 -0.260 0.000 1.046 730 Y CA 0.055 57.995 58.100 -0.267 0.000 1.198 730 Y CB 1.022 39.510 38.460 0.045 0.000 1.182 730 Y HN 0.558 nan 8.280 nan 0.000 0.502 731 R N 1.258 121.573 120.500 -0.309 0.000 2.781 731 R HA 0.397 4.737 4.340 0.000 0.000 0.269 731 R C -1.593 174.525 176.300 -0.304 0.000 1.025 731 R CA -1.332 54.642 56.100 -0.209 0.000 0.914 731 R CB 1.585 31.797 30.300 -0.147 0.000 1.236 731 R HN 0.696 nan 8.270 nan 0.000 0.465 732 H N -0.646 118.427 119.070 0.006 0.000 2.469 732 H HA 0.427 4.983 4.556 0.000 0.000 0.342 732 H C -0.532 174.757 175.328 -0.065 0.000 1.115 732 H CA -0.577 55.450 56.048 -0.036 0.000 1.204 732 H CB 2.054 31.755 29.762 -0.102 0.000 1.492 732 H HN 0.029 nan 8.280 nan 0.000 0.499 733 V N 3.944 123.826 119.914 -0.053 0.000 2.364 733 V HA 0.074 4.194 4.120 0.000 0.000 0.272 733 V C -0.371 175.700 176.094 -0.039 0.000 1.036 733 V CA -0.611 61.660 62.300 -0.048 0.000 0.880 733 V CB 0.197 31.826 31.823 -0.324 0.000 0.991 733 V HN 0.805 nan 8.190 nan 0.000 0.460 734 H N 4.932 124.034 119.070 0.054 0.000 2.864 734 H HA 0.403 4.959 4.556 0.000 0.000 0.281 734 H C 0.010 175.382 175.328 0.074 0.000 1.093 734 H CA -0.224 55.855 56.048 0.051 0.000 1.453 734 H CB 0.327 30.113 29.762 0.040 0.000 1.462 734 H HN 0.510 nan 8.280 nan 0.000 0.480 735 L N 4.566 125.863 121.223 0.123 0.000 2.426 735 L HA 0.175 4.515 4.340 0.000 0.000 0.271 735 L C -0.016 176.990 176.870 0.228 0.000 1.169 735 L CA -0.035 54.893 54.840 0.147 0.000 0.836 735 L CB 0.373 42.475 42.059 0.073 0.000 1.112 735 L HN 0.404 nan 8.230 nan 0.000 0.465 736 L N 1.660 123.019 121.223 0.227 0.000 2.333 736 L HA 0.470 4.810 4.340 0.000 0.000 0.269 736 L C 0.479 177.531 176.870 0.304 0.000 1.010 736 L CA -0.617 54.340 54.840 0.195 0.000 0.818 736 L CB 2.036 44.177 42.059 0.136 0.000 1.306 736 L HN 0.737 nan 8.230 nan 0.000 0.430 737 S N 0.107 115.879 115.700 0.120 0.000 2.617 737 S HA 0.113 4.583 4.470 0.000 0.000 0.259 737 S C 0.848 175.584 174.600 0.226 0.000 1.301 737 S CA -0.353 57.984 58.200 0.228 0.000 0.984 737 S CB 0.737 63.897 63.200 -0.067 0.000 0.954 737 S HN 0.777 nan 8.310 nan 0.000 0.572 738 K N 0.496 120.969 120.400 0.121 0.000 2.442 738 K HA -0.024 4.296 4.320 0.000 0.000 0.198 738 K C 0.523 177.031 176.600 -0.155 0.000 1.042 738 K CA 1.184 57.309 56.287 -0.268 0.000 0.958 738 K CB -0.508 31.677 32.500 -0.525 0.000 0.766 738 K HN 0.504 nan 8.250 nan 0.000 0.474 739 N N 0.615 119.271 118.700 -0.074 0.000 2.268 739 N HA 0.058 4.799 4.740 0.000 0.000 0.204 739 N C 0.619 176.094 175.510 -0.058 0.000 1.124 739 N CA 0.761 53.767 53.050 -0.074 0.000 0.838 739 N CB 1.181 39.635 38.487 -0.055 0.000 0.994 739 N HN 0.545 nan 8.380 nan 0.000 0.489 740 G N 0.988 109.766 108.800 -0.037 0.000 2.179 740 G HA2 -0.230 3.730 3.960 0.000 0.000 0.260 740 G HA3 -0.230 3.730 3.960 0.000 0.000 0.260 740 G C -0.325 174.563 174.900 -0.020 0.000 0.977 740 G CA -0.096 44.993 45.100 -0.018 0.000 0.641 740 G HN 0.298 nan 8.290 nan 0.000 0.533 741 D N 1.017 121.388 120.400 -0.049 0.000 2.382 741 D HA 0.289 4.929 4.640 0.000 0.000 0.245 741 D C 0.656 176.895 176.300 -0.102 0.000 1.120 741 D CA 0.144 54.097 54.000 -0.078 0.000 0.890 741 D CB 0.674 41.405 40.800 -0.116 0.000 1.201 741 D HN 0.142 nan 8.370 nan 0.000 0.433 742 Q N 1.310 121.075 119.800 -0.058 0.000 2.313 742 Q HA 0.012 4.352 4.340 0.000 0.000 0.266 742 Q C -0.372 175.611 176.000 -0.029 0.000 0.989 742 Q CA 0.244 56.041 55.803 -0.010 0.000 0.890 742 Q CB 0.503 29.250 28.738 0.015 0.000 1.200 742 Q HN 0.352 nan 8.270 nan 0.000 0.396 743 H N 6.010 125.122 119.070 0.071 0.000 2.820 743 H HA 0.091 4.647 4.556 0.000 0.000 0.278 743 H C -1.269 174.095 175.328 0.060 0.000 1.142 743 H CA -2.037 54.047 56.048 0.060 0.000 1.346 743 H CB 0.977 30.771 29.762 0.052 0.000 1.438 743 H HN 0.437 nan 8.280 nan 0.000 0.473 744 P HA -0.231 nan 4.420 nan 0.000 0.224 744 P C 0.718 178.082 177.300 0.105 0.000 1.153 744 P CA 1.920 65.095 63.100 0.125 0.000 0.947 744 P CB 0.301 32.062 31.700 0.102 0.000 0.790 745 S N -3.051 112.692 115.700 0.071 0.000 2.749 745 S HA 0.601 5.071 4.470 0.000 0.000 0.246 745 S C 0.614 175.181 174.600 -0.055 0.000 1.023 745 S CA -0.316 57.885 58.200 0.001 0.000 1.012 745 S CB 0.073 63.270 63.200 -0.004 0.000 0.942 745 S HN 0.342 nan 8.310 nan 0.000 0.531 746 A N 2.300 125.102 122.820 -0.030 0.000 2.269 746 A HA 0.694 5.014 4.320 0.000 0.000 0.302 746 A C 0.417 177.936 177.584 -0.108 0.000 1.266 746 A CA -0.321 51.664 52.037 -0.087 0.000 0.894 746 A CB 0.158 19.078 19.000 -0.132 0.000 1.147 746 A HN 0.514 nan 8.150 nan 0.000 0.537 747 T N 0.051 114.516 114.554 -0.149 0.000 2.841 747 T HA 0.743 5.094 4.350 0.000 0.000 0.296 747 T C -0.683 173.981 174.700 -0.060 0.000 1.166 747 T CA -0.787 61.204 62.100 -0.180 0.000 1.007 747 T CB 1.106 69.784 68.868 -0.317 0.000 1.253 747 T HN 0.418 nan 8.240 nan 0.000 0.511 748 L N 1.238 122.438 121.223 -0.038 0.000 2.365 748 L HA 0.671 5.011 4.340 0.000 0.000 0.273 748 L C -1.388 175.525 176.870 0.072 0.000 1.000 748 L CA -1.034 53.801 54.840 -0.008 0.000 0.819 748 L CB 2.139 44.090 42.059 -0.181 0.000 1.284 748 L HN 0.705 nan 8.230 nan 0.000 0.418 749 F N 4.287 124.194 119.950 -0.073 0.000 2.427 749 F HA 0.660 5.187 4.527 0.000 0.000 0.346 749 F C -0.323 175.368 175.800 -0.181 0.000 1.120 749 F CA -0.631 57.219 58.000 -0.250 0.000 1.033 749 F CB 1.314 40.193 39.000 -0.202 0.000 1.126 749 F HN 0.133 nan 8.300 nan 0.000 0.462 750 V N 2.685 122.145 119.914 -0.756 0.000 3.167 750 V HA 0.645 4.765 4.120 0.000 0.000 0.310 750 V C -1.525 174.192 176.094 -0.629 0.000 1.207 750 V CA -1.172 60.796 62.300 -0.554 0.000 1.059 750 V CB 2.039 33.633 31.823 -0.381 0.000 1.079 750 V HN 0.737 nan 8.190 nan 0.000 0.446 751 K N 1.322 121.467 120.400 -0.425 0.000 2.502 751 K HA 0.712 5.032 4.320 0.000 0.000 0.254 751 K C -1.787 174.626 176.600 -0.312 0.000 0.947 751 K CA -0.600 55.406 56.287 -0.467 0.000 0.834 751 K CB 1.710 33.891 32.500 -0.531 0.000 1.112 751 K HN 0.771 nan 8.250 nan 0.000 0.427 752 I N 2.005 122.397 120.570 -0.297 0.000 2.441 752 I HA 0.262 4.432 4.170 0.000 0.000 0.295 752 I C -0.315 175.667 176.117 -0.225 0.000 0.994 752 I CA -0.459 60.717 61.300 -0.207 0.000 1.144 752 I CB 2.062 39.951 38.000 -0.185 0.000 1.314 752 I HN 0.497 nan 8.210 nan 0.000 0.445 753 S N 7.114 122.709 115.700 -0.174 0.000 2.619 753 S HA 0.684 5.154 4.470 0.000 0.000 0.280 753 S C -1.105 173.427 174.600 -0.114 0.000 1.150 753 S CA -0.578 57.527 58.200 -0.158 0.000 0.978 753 S CB 0.890 64.002 63.200 -0.147 0.000 1.041 753 S HN 0.458 nan 8.310 nan 0.000 0.485 754 I N 3.917 124.418 120.570 -0.115 0.000 2.406 754 I HA 0.501 4.671 4.170 0.000 0.000 0.290 754 I C 0.210 176.328 176.117 0.002 0.000 0.999 754 I CA -0.379 60.894 61.300 -0.045 0.000 1.124 754 I CB 1.902 39.841 38.000 -0.102 0.000 1.289 754 I HN 0.685 nan 8.210 nan 0.000 0.441 755 Q N 3.430 123.258 119.800 0.046 0.000 2.991 755 Q HA 0.485 4.825 4.340 0.000 0.000 0.322 755 Q C -1.521 174.508 176.000 0.048 0.000 0.978 755 Q CA -0.966 54.856 55.803 0.031 0.000 0.787 755 Q CB 2.046 30.791 28.738 0.012 0.000 1.492 755 Q HN 0.494 nan 8.270 nan 0.000 0.498 756 D N 0.000 120.415 120.400 0.025 0.000 6.856 756 D HA 0.000 4.640 4.640 0.000 0.000 0.175 756 D CA 0.000 54.009 54.000 0.014 0.000 0.868 756 D CB 0.000 40.805 40.800 0.008 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683