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 1djz_1_A DATA FIRST_RESID 200 DATA SEQUENCE EIETFYKMLT QRAEIDRAFE EAAGSAETLS VERLVTFLQH QQREEEAGPA DATA SEQUENCE LALSLIERYE PSETAKAQRQ MTKDGFLMYL LSADGNAFSL AHRRVYQDMD DATA SEQUENCE QPLSHYLVSS SHNTYLLEDQ LTGPSSTEAY IRALCKGCRC LELDCWDGPN DATA SEQUENCE QEPIIYHGYT FTSKILFCDV LRAIRDYAFK ASPYPVILSL ENHCSLEQQR DATA SEQUENCE VMARHLRAIL GPILLDQPLD GVTTSLPSPE QLKGKILLKG KKLXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXKLV PELSDMIIYC DATA SEQUENCE KSVHFGGFSS PGTSGQAFYE MASFSESRAL RLLQESGNGF VRHNVSCLSR DATA SEQUENCE IYPAGWRTDS SNYSPVEMWN GGCQIVALNF QTPGPEMDVY LGCFQDNGGC DATA SEQUENCE GYVLKPAFLR DPNTTFNSRA LTQGPWWRPE RLRVRIISGQ QLPKVNKNKN DATA SEQUENCE SIVDPKVIVE IHGVGRDTGS RQTAVITNNG FNPRWDMEFE FEVTVPDLAL DATA SEQUENCE VRFMVEDYDS SSKNDFIGQS TIPWNSLKQG YRHVHLLSKN GDQHPSATLF DATA SEQUENCE VKISIQD 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 200 E HA 0.000 nan 4.350 nan 0.000 0.291 200 E C 0.000 176.611 176.600 0.019 0.000 1.382 200 E CA 0.000 56.384 56.400 -0.026 0.000 0.976 200 E CB 0.000 29.641 29.700 -0.099 0.000 0.812 201 I N 1.750 122.315 120.570 -0.007 0.000 2.381 201 I HA 0.163 4.333 4.170 -0.000 0.000 0.255 201 I C 2.520 178.733 176.117 0.159 0.000 1.140 201 I CA 4.272 65.615 61.300 0.072 0.000 1.404 201 I CB -2.152 35.866 38.000 0.030 0.000 1.075 201 I HN 1.018 nan 8.210 nan 0.000 0.433 202 E N -0.028 120.238 120.200 0.110 0.000 2.030 202 E HA -0.011 4.339 4.350 -0.000 0.000 0.189 202 E C 2.489 179.188 176.600 0.165 0.000 0.974 202 E CA 1.932 58.401 56.400 0.115 0.000 0.807 202 E CB -1.703 28.032 29.700 0.059 0.000 0.771 202 E HN 1.050 nan 8.360 nan 0.000 0.451 203 T N -0.590 114.043 114.554 0.133 0.000 2.792 203 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 203 T C 1.773 176.625 174.700 0.254 0.000 1.059 203 T CA 1.700 63.888 62.100 0.147 0.000 1.136 203 T CB -0.544 68.386 68.868 0.104 0.000 0.846 203 T HN 0.219 nan 8.240 nan 0.000 0.489 204 F N -0.666 119.314 119.950 0.049 0.000 2.092 204 F HA 0.186 4.713 4.527 -0.000 0.000 0.286 204 F C 2.222 178.055 175.800 0.054 0.000 1.116 204 F CA -0.125 57.897 58.000 0.037 0.000 1.185 204 F CB -0.943 38.078 39.000 0.035 0.000 1.034 204 F HN 0.270 nan 8.300 nan 0.000 0.479 205 Y N 1.324 121.708 120.300 0.141 0.000 2.207 205 Y HA -0.250 4.300 4.550 -0.000 0.000 0.287 205 Y C 2.378 178.290 175.900 0.021 0.000 1.156 205 Y CA 1.909 60.029 58.100 0.034 0.000 1.182 205 Y CB -0.177 38.313 38.460 0.051 0.000 0.979 205 Y HN -0.054 nan 8.280 nan 0.000 0.521 206 K N -1.189 119.344 120.400 0.222 0.000 2.057 206 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 206 K C 1.741 178.375 176.600 0.057 0.000 1.050 206 K CA 1.242 57.607 56.287 0.130 0.000 0.935 206 K CB -0.224 32.340 32.500 0.108 0.000 0.715 206 K HN 0.330 nan 8.250 nan 0.000 0.439 207 M N 0.532 120.164 119.600 0.053 0.000 2.541 207 M HA 0.091 4.571 4.480 -0.000 0.000 0.252 207 M C 1.852 178.107 176.300 -0.075 0.000 1.125 207 M CA 0.570 55.874 55.300 0.006 0.000 1.091 207 M CB -0.391 32.242 32.600 0.056 0.000 1.420 207 M HN 0.062 nan 8.290 nan 0.000 0.486 208 L N -0.577 120.541 121.223 -0.175 0.000 2.127 208 L HA -0.026 4.314 4.340 -0.000 0.000 0.203 208 L C 0.613 177.483 176.870 0.001 0.000 1.080 208 L CA 0.976 55.699 54.840 -0.195 0.000 0.768 208 L CB -0.277 41.505 42.059 -0.462 0.000 0.924 208 L HN 0.120 nan 8.230 nan 0.000 0.444 209 T N 0.946 115.439 114.554 -0.101 0.000 3.820 209 T HA 0.076 4.426 4.350 -0.000 0.000 0.224 209 T C 0.309 174.978 174.700 -0.051 0.000 0.869 209 T CA 0.200 62.251 62.100 -0.081 0.000 0.932 209 T CB -0.318 68.478 68.868 -0.120 0.000 1.259 209 T HN 0.129 nan 8.240 nan 0.000 0.676 210 Q N 2.403 122.175 119.800 -0.048 0.000 2.397 210 Q HA 0.222 4.562 4.340 -0.000 0.000 0.260 210 Q C -0.810 175.150 176.000 -0.067 0.000 1.002 210 Q CA -0.463 55.312 55.803 -0.047 0.000 0.716 210 Q CB 1.148 29.873 28.738 -0.022 0.000 1.258 210 Q HN 0.535 nan 8.270 nan 0.000 0.477 211 R N 1.680 122.126 120.500 -0.090 0.000 2.215 211 R HA 0.440 4.780 4.340 -0.000 0.000 0.337 211 R C 0.821 177.080 176.300 -0.069 0.000 1.010 211 R CA -0.112 55.925 56.100 -0.104 0.000 0.871 211 R CB 1.030 31.228 30.300 -0.171 0.000 1.134 211 R HN 0.535 nan 8.270 nan 0.000 0.477 212 A N 3.936 126.733 122.820 -0.038 0.000 1.892 212 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 212 A C 2.087 179.682 177.584 0.018 0.000 1.188 212 A CA 1.780 53.814 52.037 -0.006 0.000 0.631 212 A CB -0.304 18.698 19.000 0.005 0.000 0.822 212 A HN 0.876 nan 8.150 nan 0.000 0.447 213 E N 0.290 120.509 120.200 0.031 0.000 2.130 213 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 213 E C 1.881 178.534 176.600 0.087 0.000 0.998 213 E CA 1.638 58.105 56.400 0.112 0.000 0.806 213 E CB -0.618 29.216 29.700 0.223 0.000 0.738 213 E HN 0.540 nan 8.360 nan 0.000 0.459 214 I N 2.117 122.663 120.570 -0.040 0.000 2.233 214 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 214 I C 1.884 178.070 176.117 0.114 0.000 1.093 214 I CA 1.280 62.572 61.300 -0.014 0.000 1.380 214 I CB -1.079 36.846 38.000 -0.125 0.000 1.067 214 I HN 0.039 nan 8.210 nan 0.000 0.413 215 D N 0.796 121.223 120.400 0.044 0.000 2.108 215 D HA -0.222 4.418 4.640 -0.000 0.000 0.190 215 D C 2.276 178.625 176.300 0.083 0.000 0.995 215 D CA 1.219 55.244 54.000 0.042 0.000 0.834 215 D CB -0.411 40.395 40.800 0.010 0.000 0.967 215 D HN 0.156 nan 8.370 nan 0.000 0.446 216 R N 0.397 120.940 120.500 0.071 0.000 2.113 216 R HA -0.198 4.142 4.340 -0.000 0.000 0.244 216 R C 2.117 178.466 176.300 0.081 0.000 1.142 216 R CA 1.648 57.794 56.100 0.076 0.000 0.953 216 R CB -0.349 30.002 30.300 0.086 0.000 0.860 216 R HN 0.172 nan 8.270 nan 0.000 0.438 217 A N -0.048 122.829 122.820 0.094 0.000 1.933 217 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 217 A C 1.972 179.551 177.584 -0.008 0.000 1.175 217 A CA 1.261 53.337 52.037 0.065 0.000 0.628 217 A CB -0.665 18.303 19.000 -0.053 0.000 0.814 217 A HN 0.476 nan 8.150 nan 0.000 0.444 218 F N 0.436 120.218 119.950 -0.280 0.000 2.128 218 F HA -0.051 4.476 4.527 -0.000 0.000 0.295 218 F C 2.095 177.641 175.800 -0.424 0.000 1.100 218 F CA 1.901 59.428 58.000 -0.789 0.000 1.260 218 F CB -0.273 38.338 39.000 -0.647 0.000 1.009 218 F HN 0.327 nan 8.300 nan 0.000 0.476 219 E N 0.373 120.577 120.200 0.006 0.000 2.012 219 E HA -0.351 3.999 4.350 -0.000 0.000 0.211 219 E C 2.072 178.613 176.600 -0.098 0.000 1.029 219 E CA 2.310 58.704 56.400 -0.009 0.000 0.867 219 E CB -0.372 29.350 29.700 0.037 0.000 0.790 219 E HN 0.592 nan 8.360 nan 0.000 0.482 220 E N 0.608 120.793 120.200 -0.026 0.000 2.233 220 E HA -0.340 4.010 4.350 -0.000 0.000 0.210 220 E C 1.774 178.364 176.600 -0.017 0.000 1.046 220 E CA 1.945 58.355 56.400 0.016 0.000 0.844 220 E CB -0.508 29.256 29.700 0.107 0.000 0.741 220 E HN 0.294 nan 8.360 nan 0.000 0.465 221 A N 1.066 123.807 122.820 -0.132 0.000 1.854 221 A HA 0.263 4.583 4.320 -0.000 0.000 0.214 221 A C 2.478 179.885 177.584 -0.294 0.000 1.192 221 A CA 1.741 53.675 52.037 -0.172 0.000 0.611 221 A CB -0.863 17.870 19.000 -0.444 0.000 0.832 221 A HN 0.476 nan 8.150 nan 0.000 0.442 222 A N -1.611 120.893 122.820 -0.526 0.000 2.169 222 A HA 0.435 4.755 4.320 -0.000 0.000 0.212 222 A C 1.854 179.311 177.584 -0.213 0.000 1.153 222 A CA 1.384 53.152 52.037 -0.448 0.000 0.756 222 A CB -1.145 17.428 19.000 -0.712 0.000 0.813 222 A HN 1.965 nan 8.150 nan 0.000 0.471 223 G N -0.530 108.178 108.800 -0.154 0.000 2.561 223 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.289 223 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.289 223 G C 1.342 176.212 174.900 -0.051 0.000 1.169 223 G CA 0.955 46.010 45.100 -0.075 0.000 0.980 223 G HN 0.965 nan 8.290 nan 0.000 0.550 224 S N 0.598 116.278 115.700 -0.034 0.000 2.458 224 S HA 0.465 4.935 4.470 -0.000 0.000 0.223 224 S C 1.750 176.348 174.600 -0.003 0.000 1.019 224 S CA 1.409 59.602 58.200 -0.012 0.000 0.937 224 S CB -0.821 62.374 63.200 -0.009 0.000 0.788 224 S HN 1.957 nan 8.310 nan 0.000 0.511 225 A N 1.335 124.145 122.820 -0.017 0.000 2.536 225 A HA 0.105 4.425 4.320 -0.000 0.000 0.234 225 A C 0.824 178.435 177.584 0.045 0.000 1.076 225 A CA 0.122 52.158 52.037 -0.001 0.000 0.769 225 A CB -0.029 18.957 19.000 -0.023 0.000 1.020 225 A HN 0.592 nan 8.150 nan 0.000 0.508 226 E N -0.627 119.610 120.200 0.062 0.000 2.479 226 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 226 E C -0.282 176.428 176.600 0.182 0.000 1.049 226 E CA 0.329 56.789 56.400 0.100 0.000 0.870 226 E CB 0.276 30.000 29.700 0.040 0.000 0.944 226 E HN 0.683 nan 8.360 nan 0.000 0.492 227 T N 0.127 114.767 114.554 0.144 0.000 2.896 227 T HA 0.319 4.669 4.350 -0.000 0.000 0.297 227 T C -1.421 173.280 174.700 0.002 0.000 1.108 227 T CA -0.601 61.592 62.100 0.154 0.000 1.004 227 T CB 1.644 70.560 68.868 0.081 0.000 1.159 227 T HN -0.082 nan 8.240 nan 0.000 0.499 228 L N 3.780 124.990 121.223 -0.022 0.000 2.276 228 L HA 0.480 4.820 4.340 -0.000 0.000 0.286 228 L C 0.543 177.374 176.870 -0.064 0.000 1.024 228 L CA -0.304 54.430 54.840 -0.176 0.000 0.826 228 L CB 0.824 42.705 42.059 -0.295 0.000 1.211 228 L HN 0.905 nan 8.230 nan 0.000 0.422 229 S N 2.988 118.651 115.700 -0.061 0.000 2.601 229 S HA 0.240 4.710 4.470 -0.000 0.000 0.271 229 S C 1.449 176.035 174.600 -0.023 0.000 1.305 229 S CA -0.812 57.371 58.200 -0.027 0.000 1.022 229 S CB 1.819 65.003 63.200 -0.025 0.000 0.940 229 S HN 0.365 nan 8.310 nan 0.000 0.525 230 V N 1.550 121.460 119.914 -0.007 0.000 2.370 230 V HA -0.221 3.899 4.120 -0.000 0.000 0.252 230 V C 2.840 178.936 176.094 0.003 0.000 1.068 230 V CA 2.470 64.771 62.300 0.002 0.000 1.061 230 V CB -1.028 30.798 31.823 0.006 0.000 0.656 230 V HN 1.060 nan 8.190 nan 0.000 0.455 231 E N -0.156 120.042 120.200 -0.003 0.000 2.118 231 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 231 E C 2.395 178.994 176.600 -0.002 0.000 0.992 231 E CA 1.229 57.627 56.400 -0.003 0.000 0.804 231 E CB 0.043 29.738 29.700 -0.008 0.000 0.741 231 E HN 0.566 nan 8.360 nan 0.000 0.458 232 R N -0.139 120.351 120.500 -0.018 0.000 2.140 232 R HA -0.031 4.309 4.340 -0.000 0.000 0.213 232 R C 2.468 178.778 176.300 0.018 0.000 1.059 232 R CA 0.171 56.258 56.100 -0.023 0.000 1.000 232 R CB -0.517 29.731 30.300 -0.087 0.000 0.910 232 R HN 0.161 nan 8.270 nan 0.000 0.455 233 L N 1.320 122.544 121.223 0.003 0.000 1.989 233 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 233 L C 2.217 179.163 176.870 0.126 0.000 1.071 233 L CA 1.597 56.466 54.840 0.049 0.000 0.749 233 L CB -0.665 41.402 42.059 0.014 0.000 0.890 233 L HN -0.129 nan 8.230 nan 0.000 0.431 234 V N -0.720 119.238 119.914 0.072 0.000 2.392 234 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 234 V C 2.463 178.612 176.094 0.091 0.000 1.059 234 V CA 2.131 64.474 62.300 0.071 0.000 1.051 234 V CB -0.797 31.049 31.823 0.039 0.000 0.658 234 V HN 0.581 nan 8.190 nan 0.000 0.455 235 T N -0.155 114.455 114.554 0.093 0.000 2.746 235 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 235 T C 1.643 176.449 174.700 0.177 0.000 1.039 235 T CA 1.929 64.089 62.100 0.099 0.000 1.142 235 T CB -0.389 68.519 68.868 0.065 0.000 0.866 235 T HN 0.470 nan 8.240 nan 0.000 0.444 236 F N 1.914 121.904 119.950 0.066 0.000 2.069 236 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 236 F C 2.013 177.884 175.800 0.118 0.000 1.113 236 F CA 1.148 59.221 58.000 0.123 0.000 1.214 236 F CB -0.590 38.486 39.000 0.127 0.000 0.978 236 F HN 0.020 nan 8.300 nan 0.000 0.474 237 L N -0.217 121.118 121.223 0.187 0.000 2.089 237 L HA -0.291 4.049 4.340 -0.000 0.000 0.213 237 L C 2.543 179.395 176.870 -0.031 0.000 1.079 237 L CA 1.559 56.431 54.840 0.053 0.000 0.758 237 L CB -0.794 41.312 42.059 0.078 0.000 0.891 237 L HN 0.359 nan 8.230 nan 0.000 0.433 238 Q N -1.419 118.386 119.800 0.008 0.000 2.084 238 Q HA -0.157 4.183 4.340 -0.000 0.000 0.194 238 Q C 2.181 178.186 176.000 0.009 0.000 0.969 238 Q CA 0.990 56.797 55.803 0.007 0.000 0.829 238 Q CB -0.262 28.498 28.738 0.038 0.000 0.904 238 Q HN 0.592 nan 8.270 nan 0.000 0.464 239 H N -0.026 119.001 119.070 -0.071 0.000 2.387 239 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 239 H C 1.640 176.885 175.328 -0.139 0.000 1.090 239 H CA 1.189 57.191 56.048 -0.077 0.000 1.332 239 H CB 0.754 30.496 29.762 -0.033 0.000 1.386 239 H HN 0.165 nan 8.280 nan 0.000 0.516 240 Q N -0.022 119.586 119.800 -0.320 0.000 2.225 240 Q HA -0.011 4.329 4.340 -0.000 0.000 0.193 240 Q C 2.231 177.970 176.000 -0.436 0.000 0.990 240 Q CA 0.294 55.799 55.803 -0.497 0.000 0.841 240 Q CB -0.307 28.000 28.738 -0.719 0.000 0.941 240 Q HN 0.466 nan 8.270 nan 0.000 0.516 241 Q N 1.360 120.884 119.800 -0.460 0.000 2.561 241 Q HA -0.035 4.305 4.340 -0.000 0.000 0.217 241 Q C -0.146 175.751 176.000 -0.172 0.000 0.980 241 Q CA 0.231 55.886 55.803 -0.247 0.000 0.927 241 Q CB -0.268 28.416 28.738 -0.090 0.000 0.980 241 Q HN 0.357 nan 8.270 nan 0.000 0.525 242 R N 1.396 121.790 120.500 -0.176 0.000 3.358 242 R HA -0.156 4.184 4.340 -0.000 0.000 0.248 242 R C -0.565 175.682 176.300 -0.088 0.000 0.981 242 R CA 0.590 56.616 56.100 -0.123 0.000 0.662 242 R CB -1.920 28.297 30.300 -0.139 0.000 1.037 242 R HN 0.368 nan 8.270 nan 0.000 0.460 243 E N 1.212 121.374 120.200 -0.062 0.000 2.366 243 E HA 0.043 4.393 4.350 -0.000 0.000 0.266 243 E C 1.069 177.650 176.600 -0.032 0.000 1.051 243 E CA -0.229 56.146 56.400 -0.041 0.000 0.884 243 E CB 0.715 30.408 29.700 -0.011 0.000 1.006 243 E HN 0.210 nan 8.360 nan 0.000 0.417 244 E N 1.645 121.824 120.200 -0.034 0.000 2.086 244 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 244 E C 0.848 177.441 176.600 -0.012 0.000 0.975 244 E CA 0.492 56.878 56.400 -0.023 0.000 0.813 244 E CB 0.163 29.847 29.700 -0.026 0.000 0.768 244 E HN 0.515 nan 8.360 nan 0.000 0.457 245 E N 1.139 121.333 120.200 -0.011 0.000 2.438 245 E HA 0.098 4.448 4.350 -0.000 0.000 0.192 245 E C -0.123 176.481 176.600 0.006 0.000 1.110 245 E CA -0.404 55.995 56.400 -0.001 0.000 0.893 245 E CB 0.086 29.786 29.700 -0.000 0.000 0.990 245 E HN 0.089 nan 8.360 nan 0.000 0.490 246 A N 1.110 123.933 122.820 0.005 0.000 2.566 246 A HA 0.389 4.709 4.320 -0.000 0.000 0.245 246 A C 0.609 178.202 177.584 0.014 0.000 1.056 246 A CA 0.988 53.032 52.037 0.013 0.000 0.757 246 A CB 0.225 19.231 19.000 0.011 0.000 0.979 246 A HN 0.263 nan 8.150 nan 0.000 0.508 247 G N 2.546 111.357 108.800 0.018 0.000 2.377 247 G HA2 0.464 4.424 3.960 -0.000 0.000 0.297 247 G HA3 0.464 4.424 3.960 -0.000 0.000 0.297 247 G C -2.164 172.746 174.900 0.017 0.000 1.547 247 G CA -0.038 45.072 45.100 0.016 0.000 0.833 247 G HN 0.310 nan 8.290 nan 0.000 0.583 248 P HA -0.228 nan 4.420 nan 0.000 0.219 248 P C 1.950 179.258 177.300 0.013 0.000 1.149 248 P CA 2.447 65.555 63.100 0.013 0.000 0.835 248 P CB 0.124 31.830 31.700 0.010 0.000 0.778 249 A N -0.766 122.062 122.820 0.013 0.000 1.877 249 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 249 A C 2.178 179.773 177.584 0.017 0.000 1.186 249 A CA 1.678 53.723 52.037 0.014 0.000 0.620 249 A CB -1.583 17.425 19.000 0.013 0.000 0.822 249 A HN 0.193 nan 8.150 nan 0.000 0.443 250 L N -0.115 121.121 121.223 0.021 0.000 1.961 250 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 250 L C 2.773 179.659 176.870 0.026 0.000 1.072 250 L CA 2.418 57.275 54.840 0.029 0.000 0.749 250 L CB -1.253 40.823 42.059 0.029 0.000 0.889 250 L HN 0.376 nan 8.230 nan 0.000 0.432 251 A N -0.859 121.972 122.820 0.018 0.000 1.971 251 A HA -0.280 4.040 4.320 -0.000 0.000 0.222 251 A C 2.344 179.939 177.584 0.017 0.000 1.182 251 A CA 2.428 54.472 52.037 0.012 0.000 0.649 251 A CB -1.056 17.954 19.000 0.016 0.000 0.818 251 A HN 0.521 nan 8.150 nan 0.000 0.458 252 L N 0.025 121.258 121.223 0.017 0.000 2.131 252 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 252 L C 2.862 179.739 176.870 0.013 0.000 1.087 252 L CA 1.786 56.635 54.840 0.015 0.000 0.767 252 L CB -0.165 41.901 42.059 0.010 0.000 0.917 252 L HN 0.515 nan 8.230 nan 0.000 0.441 253 S N -1.182 114.527 115.700 0.015 0.000 2.387 253 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 253 S C 1.882 176.486 174.600 0.006 0.000 1.026 253 S CA 0.540 58.741 58.200 0.003 0.000 0.972 253 S CB -0.528 62.681 63.200 0.015 0.000 0.814 253 S HN 0.150 nan 8.310 nan 0.000 0.477 254 L N 2.206 123.466 121.223 0.061 0.000 1.970 254 L HA 0.012 4.352 4.340 -0.000 0.000 0.212 254 L C 2.469 179.429 176.870 0.150 0.000 1.071 254 L CA 1.334 56.273 54.840 0.166 0.000 0.751 254 L CB -1.230 40.871 42.059 0.072 0.000 0.889 254 L HN 0.331 nan 8.230 nan 0.000 0.432 255 I N -0.633 119.989 120.570 0.087 0.000 2.163 255 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 255 I C 2.334 178.471 176.117 0.032 0.000 1.085 255 I CA 1.449 62.796 61.300 0.079 0.000 1.347 255 I CB -0.534 37.497 38.000 0.052 0.000 1.044 255 I HN 0.378 nan 8.210 nan 0.000 0.408 256 E N 0.310 120.507 120.200 -0.006 0.000 2.160 256 E HA -0.256 4.093 4.350 -0.000 0.000 0.195 256 E C 2.293 178.837 176.600 -0.094 0.000 0.991 256 E CA 1.128 57.507 56.400 -0.035 0.000 0.810 256 E CB -0.124 29.554 29.700 -0.037 0.000 0.742 256 E HN 0.374 nan 8.360 nan 0.000 0.466 257 R N -0.840 119.542 120.500 -0.197 0.000 2.156 257 R HA -0.013 4.326 4.340 -0.000 0.000 0.207 257 R C 0.959 176.926 176.300 -0.555 0.000 1.040 257 R CA 0.797 56.628 56.100 -0.449 0.000 1.013 257 R CB 0.325 30.187 30.300 -0.730 0.000 0.931 257 R HN 0.166 nan 8.270 nan 0.000 0.465 258 Y N -0.809 119.538 120.300 0.079 0.000 2.430 258 Y HA 0.264 4.814 4.550 -0.000 0.000 0.254 258 Y C -0.158 175.792 175.900 0.084 0.000 1.088 258 Y CA -0.628 57.529 58.100 0.094 0.000 1.267 258 Y CB 0.318 38.867 38.460 0.148 0.000 1.204 258 Y HN -0.064 nan 8.280 nan 0.000 0.515 259 E N 3.831 124.132 120.200 0.168 0.000 2.217 259 E HA 0.095 4.445 4.350 -0.000 0.000 0.279 259 E C -1.801 174.851 176.600 0.087 0.000 1.068 259 E CA -1.987 54.490 56.400 0.130 0.000 0.882 259 E CB 0.865 30.627 29.700 0.103 0.000 1.039 259 E HN 0.038 nan 8.360 nan 0.000 0.418 260 P HA -0.076 nan 4.420 nan 0.000 0.218 260 P C 0.120 177.443 177.300 0.038 0.000 1.152 260 P CA 0.441 63.576 63.100 0.059 0.000 0.826 260 P CB 0.161 31.895 31.700 0.057 0.000 0.790 261 S N 0.856 116.579 115.700 0.037 0.000 2.465 261 S HA 0.039 4.509 4.470 -0.000 0.000 0.280 261 S C 1.315 175.929 174.600 0.024 0.000 1.232 261 S CA -0.395 57.820 58.200 0.025 0.000 1.066 261 S CB 0.010 63.223 63.200 0.022 0.000 0.929 261 S HN -0.071 nan 8.310 nan 0.000 0.494 262 E N 3.878 124.088 120.200 0.017 0.000 2.160 262 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 262 E C 1.745 178.353 176.600 0.013 0.000 0.991 262 E CA 1.320 57.728 56.400 0.014 0.000 0.810 262 E CB -0.681 29.024 29.700 0.009 0.000 0.742 262 E HN 0.764 nan 8.360 nan 0.000 0.466 263 T N 1.265 115.827 114.554 0.013 0.000 2.523 263 T HA -0.108 4.242 4.350 -0.000 0.000 0.253 263 T C 1.945 176.655 174.700 0.016 0.000 1.139 263 T CA 1.864 63.971 62.100 0.012 0.000 1.230 263 T CB -0.526 68.348 68.868 0.011 0.000 0.871 263 T HN 0.301 nan 8.240 nan 0.000 0.396 264 A N 1.438 124.271 122.820 0.021 0.000 1.985 264 A HA -0.300 4.020 4.320 -0.000 0.000 0.223 264 A C 2.152 179.755 177.584 0.031 0.000 1.189 264 A CA 2.621 54.676 52.037 0.029 0.000 0.658 264 A CB -0.776 18.248 19.000 0.040 0.000 0.820 264 A HN 0.561 nan 8.150 nan 0.000 0.464 265 K N -0.758 119.660 120.400 0.030 0.000 1.965 265 K HA -0.070 4.250 4.320 -0.000 0.000 0.214 265 K C 2.285 178.897 176.600 0.019 0.000 1.046 265 K CA 1.371 57.675 56.287 0.028 0.000 0.944 265 K CB -0.460 32.055 32.500 0.025 0.000 0.726 265 K HN 0.360 nan 8.250 nan 0.000 0.441 266 A N 1.119 123.948 122.820 0.015 0.000 1.927 266 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 266 A C 1.704 179.294 177.584 0.011 0.000 1.185 266 A CA 1.823 53.866 52.037 0.010 0.000 0.639 266 A CB -0.608 18.397 19.000 0.008 0.000 0.820 266 A HN 0.577 nan 8.150 nan 0.000 0.451 267 Q N -1.060 118.748 119.800 0.013 0.000 2.291 267 Q HA 0.175 4.515 4.340 -0.000 0.000 0.211 267 Q C -0.545 175.463 176.000 0.013 0.000 0.925 267 Q CA -0.251 55.559 55.803 0.012 0.000 0.949 267 Q CB -0.018 28.727 28.738 0.012 0.000 1.015 267 Q HN 0.549 nan 8.270 nan 0.000 0.477 268 R N 1.263 121.771 120.500 0.015 0.000 3.158 268 R HA -0.222 4.118 4.340 -0.000 0.000 0.244 268 R C -0.670 175.641 176.300 0.019 0.000 0.900 268 R CA 0.695 56.804 56.100 0.016 0.000 0.618 268 R CB -1.402 28.905 30.300 0.011 0.000 1.061 268 R HN 0.426 nan 8.270 nan 0.000 0.471 269 Q N -0.232 119.585 119.800 0.028 0.000 2.501 269 Q HA 0.583 4.923 4.340 -0.000 0.000 0.288 269 Q C -0.870 175.167 176.000 0.062 0.000 1.051 269 Q CA -1.006 54.818 55.803 0.035 0.000 0.788 269 Q CB 2.659 31.416 28.738 0.033 0.000 1.469 269 Q HN 0.221 nan 8.270 nan 0.000 0.416 270 M N 1.818 121.468 119.600 0.084 0.000 2.259 270 M HA 0.364 4.844 4.480 -0.000 0.000 0.304 270 M C -0.614 175.822 176.300 0.227 0.000 1.019 270 M CA -0.365 55.022 55.300 0.145 0.000 0.922 270 M CB 1.800 34.494 32.600 0.156 0.000 1.600 270 M HN 0.833 nan 8.290 nan 0.000 0.433 271 T N 0.646 115.303 114.554 0.173 0.000 2.824 271 T HA 0.340 4.690 4.350 -0.000 0.000 0.277 271 T C 0.908 175.557 174.700 -0.085 0.000 0.975 271 T CA -0.581 61.569 62.100 0.083 0.000 0.966 271 T CB 1.382 70.249 68.868 -0.001 0.000 1.054 271 T HN 0.860 nan 8.240 nan 0.000 0.533 272 K N 0.159 120.088 120.400 -0.784 0.000 2.044 272 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 272 K C 1.683 178.144 176.600 -0.232 0.000 1.049 272 K CA 2.115 57.718 56.287 -1.140 0.000 0.927 272 K CB -0.360 31.466 32.500 -1.124 0.000 0.713 272 K HN 0.622 nan 8.250 nan 0.000 0.443 273 D N -0.451 119.865 120.400 -0.141 0.000 2.106 273 D HA -0.168 4.472 4.640 -0.000 0.000 0.191 273 D C 1.859 178.208 176.300 0.083 0.000 0.997 273 D CA 1.648 55.640 54.000 -0.013 0.000 0.834 273 D CB -0.758 40.036 40.800 -0.009 0.000 0.956 273 D HN 0.471 nan 8.370 nan 0.000 0.448 274 G N -0.084 108.790 108.800 0.123 0.000 2.450 274 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 274 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 274 G C 1.484 176.560 174.900 0.294 0.000 1.130 274 G CA 0.466 45.689 45.100 0.206 0.000 0.760 274 G HN 0.225 nan 8.290 nan 0.000 0.557 275 F N 0.821 120.852 119.950 0.135 0.000 2.075 275 F HA -0.019 4.508 4.527 0.000 0.000 0.297 275 F C 2.314 178.210 175.800 0.160 0.000 1.113 275 F CA 1.190 59.306 58.000 0.194 0.000 1.218 275 F CB -0.457 38.733 39.000 0.317 0.000 0.984 275 F HN 0.108 nan 8.300 nan 0.000 0.472 276 L N 0.592 121.908 121.223 0.155 0.000 1.990 276 L HA -0.275 4.065 4.340 -0.000 0.000 0.213 276 L C 2.270 179.102 176.870 -0.063 0.000 1.072 276 L CA 2.064 56.887 54.840 -0.029 0.000 0.755 276 L CB -0.984 41.069 42.059 -0.011 0.000 0.889 276 L HN 0.246 nan 8.230 nan 0.000 0.432 277 M N -1.897 117.702 119.600 -0.001 0.000 2.159 277 M HA -0.244 4.236 4.480 -0.000 0.000 0.263 277 M C 2.337 178.492 176.300 -0.240 0.000 1.063 277 M CA 1.932 57.206 55.300 -0.044 0.000 1.110 277 M CB -1.060 31.592 32.600 0.087 0.000 1.374 277 M HN 0.450 nan 8.290 nan 0.000 0.411 278 Y N 1.772 121.858 120.300 -0.356 0.000 2.089 278 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 278 Y C 2.043 177.716 175.900 -0.378 0.000 1.139 278 Y CA 1.558 59.272 58.100 -0.642 0.000 1.123 278 Y CB -0.851 37.460 38.460 -0.247 0.000 0.980 278 Y HN 0.045 nan 8.280 nan 0.000 0.493 279 L N 0.072 120.923 121.223 -0.621 0.000 2.137 279 L HA -0.263 4.077 4.340 -0.000 0.000 0.213 279 L C 2.165 178.993 176.870 -0.070 0.000 1.085 279 L CA 1.640 56.180 54.840 -0.499 0.000 0.760 279 L CB -0.560 41.326 42.059 -0.289 0.000 0.893 279 L HN 0.399 nan 8.230 nan 0.000 0.434 280 L N -1.285 119.882 121.223 -0.094 0.000 2.592 280 L HA 0.060 4.400 4.340 -0.000 0.000 0.227 280 L C 1.589 178.444 176.870 -0.025 0.000 1.127 280 L CA -0.354 54.463 54.840 -0.038 0.000 0.884 280 L CB -0.072 41.893 42.059 -0.156 0.000 1.065 280 L HN 0.234 nan 8.230 nan 0.000 0.457 281 S N -0.061 115.513 115.700 -0.209 0.000 2.640 281 S HA 0.326 4.796 4.470 -0.000 0.000 0.262 281 S C 1.423 175.963 174.600 -0.099 0.000 1.232 281 S CA -0.030 58.062 58.200 -0.180 0.000 0.988 281 S CB 1.268 64.151 63.200 -0.529 0.000 1.034 281 S HN 0.107 nan 8.310 nan 0.000 0.569 282 A N -0.360 122.450 122.820 -0.016 0.000 2.172 282 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 282 A C 1.607 179.200 177.584 0.015 0.000 1.154 282 A CA 1.162 53.189 52.037 -0.018 0.000 0.701 282 A CB -0.757 18.264 19.000 0.035 0.000 0.789 282 A HN 0.849 nan 8.150 nan 0.000 0.465 283 D N -1.027 119.382 120.400 0.014 0.000 2.327 283 D HA 0.013 4.653 4.640 -0.000 0.000 0.205 283 D C 1.771 177.989 176.300 -0.137 0.000 0.989 283 D CA 1.006 55.044 54.000 0.064 0.000 0.873 283 D CB 0.158 41.151 40.800 0.321 0.000 0.955 283 D HN 0.473 nan 8.370 nan 0.000 0.515 284 G N 0.364 108.941 108.800 -0.372 0.000 2.939 284 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.210 284 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.210 284 G C 0.847 175.663 174.900 -0.140 0.000 1.160 284 G CA -0.234 44.568 45.100 -0.496 0.000 0.770 284 G HN 0.024 nan 8.290 nan 0.000 0.543 285 N N 1.151 119.830 118.700 -0.035 0.000 2.458 285 N HA 0.169 4.909 4.740 -0.000 0.000 0.258 285 N C 1.561 177.079 175.510 0.013 0.000 1.219 285 N CA 0.461 53.551 53.050 0.066 0.000 0.902 285 N CB 1.466 39.984 38.487 0.051 0.000 1.076 285 N HN 0.025 nan 8.380 nan 0.000 0.455 286 A N 4.218 127.036 122.820 -0.003 0.000 2.070 286 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 286 A C 0.739 178.293 177.584 -0.050 0.000 1.159 286 A CA 0.694 52.678 52.037 -0.089 0.000 0.656 286 A CB -0.315 18.571 19.000 -0.189 0.000 0.800 286 A HN 0.609 nan 8.150 nan 0.000 0.453 287 F N 1.391 121.289 119.950 -0.087 0.000 2.375 287 F HA 0.409 4.936 4.527 -0.000 0.000 0.362 287 F C 0.963 176.724 175.800 -0.064 0.000 1.129 287 F CA -1.120 56.843 58.000 -0.062 0.000 1.154 287 F CB 0.466 39.449 39.000 -0.027 0.000 1.205 287 F HN 0.035 nan 8.300 nan 0.000 0.513 288 S N 6.813 122.506 115.700 -0.012 0.000 3.361 288 S HA -0.135 4.335 4.470 -0.000 0.000 0.396 288 S C 1.517 176.182 174.600 0.109 0.000 1.165 288 S CA -0.436 57.729 58.200 -0.057 0.000 1.192 288 S CB -0.246 62.703 63.200 -0.418 0.000 0.843 288 S HN 0.813 nan 8.310 nan 0.000 0.528 289 L N 6.229 127.487 121.223 0.059 0.000 2.089 289 L HA -0.086 4.254 4.340 -0.000 0.000 0.213 289 L C 2.493 179.397 176.870 0.056 0.000 1.079 289 L CA 2.646 57.529 54.840 0.070 0.000 0.758 289 L CB -1.665 40.425 42.059 0.052 0.000 0.891 289 L HN 0.887 nan 8.230 nan 0.000 0.433 290 A N -1.737 121.054 122.820 -0.049 0.000 1.933 290 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 290 A C 1.987 179.584 177.584 0.020 0.000 1.175 290 A CA 1.656 53.649 52.037 -0.073 0.000 0.628 290 A CB -0.876 17.990 19.000 -0.222 0.000 0.814 290 A HN 0.659 nan 8.150 nan 0.000 0.444 291 H N -0.424 118.613 119.070 -0.053 0.000 2.555 291 H HA 0.116 4.672 4.556 0.000 0.000 0.269 291 H C 1.078 176.635 175.328 0.382 0.000 0.988 291 H CA 0.511 56.612 56.048 0.089 0.000 1.178 291 H CB -0.078 29.767 29.762 0.139 0.000 1.373 291 H HN 0.489 nan 8.280 nan 0.000 0.588 292 R N 1.289 122.013 120.500 0.374 0.000 2.547 292 R HA 0.130 4.470 4.340 -0.000 0.000 0.258 292 R C 0.071 176.495 176.300 0.208 0.000 1.115 292 R CA -0.064 56.186 56.100 0.250 0.000 1.152 292 R CB 0.119 30.488 30.300 0.114 0.000 1.221 292 R HN 0.302 nan 8.270 nan 0.000 0.539 293 R N -2.556 118.116 120.500 0.287 0.000 2.668 293 R HA 0.266 4.606 4.340 -0.000 0.000 0.272 293 R C -1.048 175.429 176.300 0.295 0.000 1.019 293 R CA -0.910 55.330 56.100 0.233 0.000 0.894 293 R CB 1.032 31.444 30.300 0.187 0.000 1.228 293 R HN -0.196 nan 8.270 nan 0.000 0.460 294 V N 3.879 123.913 119.914 0.199 0.000 2.475 294 V HA -0.041 4.079 4.120 -0.000 0.000 0.292 294 V C -0.190 176.004 176.094 0.166 0.000 1.003 294 V CA 0.767 63.145 62.300 0.130 0.000 1.120 294 V CB -0.674 31.239 31.823 0.149 0.000 0.937 294 V HN 0.887 nan 8.190 nan 0.000 0.476 295 Y N 2.544 122.891 120.300 0.080 0.000 2.728 295 Y HA 0.461 5.011 4.550 0.000 0.000 0.256 295 Y C 0.359 176.285 175.900 0.045 0.000 1.112 295 Y CA -0.925 57.219 58.100 0.073 0.000 1.240 295 Y CB -0.256 38.268 38.460 0.107 0.000 1.337 295 Y HN 0.582 nan 8.280 nan 0.000 0.559 296 Q N -0.031 119.569 119.800 -0.334 0.000 2.333 296 Q HA 0.256 4.596 4.340 -0.000 0.000 0.266 296 Q C -1.096 174.870 176.000 -0.057 0.000 1.053 296 Q CA -1.183 54.496 55.803 -0.207 0.000 0.890 296 Q CB 1.220 29.750 28.738 -0.348 0.000 1.337 296 Q HN 0.046 nan 8.270 nan 0.000 0.474 297 D N 1.266 121.661 120.400 -0.009 0.000 2.356 297 D HA -0.000 4.640 4.640 -0.000 0.000 0.272 297 D C -0.102 176.263 176.300 0.108 0.000 1.337 297 D CA 0.094 54.115 54.000 0.035 0.000 0.970 297 D CB 0.584 41.396 40.800 0.019 0.000 1.092 297 D HN 0.406 nan 8.370 nan 0.000 0.516 298 M N 2.569 122.184 119.600 0.025 0.000 2.571 298 M HA 0.078 4.558 4.480 -0.000 0.000 0.235 298 M C 0.510 176.780 176.300 -0.049 0.000 1.216 298 M CA -0.057 55.184 55.300 -0.099 0.000 0.979 298 M CB -0.063 32.403 32.600 -0.223 0.000 1.616 298 M HN 0.237 nan 8.290 nan 0.000 0.469 299 D N -0.231 120.206 120.400 0.060 0.000 2.388 299 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 299 D C 0.754 177.065 176.300 0.018 0.000 1.035 299 D CA 0.318 54.331 54.000 0.021 0.000 0.875 299 D CB 0.588 41.392 40.800 0.006 0.000 0.984 299 D HN 0.401 nan 8.370 nan 0.000 0.508 300 Q N 1.604 121.448 119.800 0.074 0.000 2.471 300 Q HA 0.228 4.568 4.340 -0.000 0.000 0.223 300 Q C -2.349 173.631 176.000 -0.033 0.000 1.045 300 Q CA -1.486 54.254 55.803 -0.105 0.000 0.956 300 Q CB -0.564 28.012 28.738 -0.269 0.000 1.249 300 Q HN -0.015 nan 8.270 nan 0.000 0.549 301 P HA 0.000 nan 4.420 nan 0.000 0.272 301 P C 0.662 178.036 177.300 0.122 0.000 1.223 301 P CA 0.020 63.056 63.100 -0.107 0.000 0.784 301 P CB 0.461 32.050 31.700 -0.185 0.000 0.923 302 L N 1.356 122.682 121.223 0.172 0.000 2.064 302 L HA -0.295 4.045 4.340 -0.000 0.000 0.216 302 L C 2.368 179.486 176.870 0.413 0.000 1.077 302 L CA 2.607 57.634 54.840 0.312 0.000 0.766 302 L CB -1.386 40.814 42.059 0.235 0.000 0.890 302 L HN 0.488 nan 8.230 nan 0.000 0.435 303 S N -1.578 114.310 115.700 0.313 0.000 2.441 303 S HA -0.258 4.212 4.470 -0.000 0.000 0.242 303 S C 1.560 176.330 174.600 0.284 0.000 1.018 303 S CA 1.302 59.682 58.200 0.300 0.000 0.988 303 S CB -0.885 62.493 63.200 0.298 0.000 0.778 303 S HN 0.583 nan 8.310 nan 0.000 0.498 304 H N -0.665 118.415 119.070 0.016 0.000 2.547 304 H HA 0.211 4.767 4.556 -0.000 0.000 0.266 304 H C -0.391 174.679 175.328 -0.430 0.000 0.988 304 H CA 0.224 56.122 56.048 -0.251 0.000 1.147 304 H CB 0.145 29.658 29.762 -0.415 0.000 1.365 304 H HN 0.487 nan 8.280 nan 0.000 0.589 305 Y N 0.207 120.580 120.300 0.122 0.000 2.549 305 Y HA 0.321 4.871 4.550 -0.000 0.000 0.339 305 Y C -0.007 175.926 175.900 0.057 0.000 1.053 305 Y CA -0.998 57.148 58.100 0.075 0.000 1.105 305 Y CB 1.498 40.074 38.460 0.193 0.000 1.258 305 Y HN -0.138 nan 8.280 nan 0.000 0.478 306 L N 2.746 124.050 121.223 0.135 0.000 2.305 306 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 306 L C -0.829 176.195 176.870 0.257 0.000 1.085 306 L CA -0.810 54.086 54.840 0.093 0.000 0.813 306 L CB 0.872 42.771 42.059 -0.265 0.000 1.157 306 L HN 0.336 nan 8.230 nan 0.000 0.436 307 V N 2.217 122.249 119.914 0.196 0.000 2.448 307 V HA 0.161 4.281 4.120 -0.000 0.000 0.295 307 V C 0.339 176.280 176.094 -0.255 0.000 1.025 307 V CA -0.544 61.657 62.300 -0.165 0.000 0.859 307 V CB 1.819 33.530 31.823 -0.187 0.000 0.988 307 V HN 0.805 nan 8.190 nan 0.000 0.431 308 S N 3.874 118.990 115.700 -0.974 0.000 2.466 308 S HA 0.275 4.745 4.470 -0.000 0.000 0.286 308 S C 0.218 174.686 174.600 -0.220 0.000 1.221 308 S CA -0.269 57.360 58.200 -0.952 0.000 1.091 308 S CB -0.169 62.314 63.200 -1.194 0.000 0.956 308 S HN 0.838 nan 8.310 nan 0.000 0.501 309 S N 3.755 119.540 115.700 0.143 0.000 2.513 309 S HA 0.626 5.096 4.470 -0.000 0.000 0.299 309 S C -0.445 174.093 174.600 -0.102 0.000 1.087 309 S CA -0.867 57.339 58.200 0.010 0.000 1.012 309 S CB 1.830 65.099 63.200 0.114 0.000 1.044 309 S HN 0.722 nan 8.310 nan 0.000 0.485 310 S N 1.079 116.589 115.700 -0.315 0.000 2.664 310 S HA 0.526 4.996 4.470 -0.000 0.000 0.304 310 S C -1.109 173.407 174.600 -0.140 0.000 1.099 310 S CA -0.637 57.303 58.200 -0.432 0.000 1.003 310 S CB 1.093 63.846 63.200 -0.744 0.000 1.092 310 S HN 0.850 nan 8.310 nan 0.000 0.525 311 H N 2.726 121.673 119.070 -0.205 0.000 2.609 311 H HA 0.341 4.897 4.556 -0.000 0.000 0.344 311 H C -0.514 174.648 175.328 -0.276 0.000 1.040 311 H CA -0.222 55.732 56.048 -0.157 0.000 1.216 311 H CB 0.440 30.166 29.762 -0.060 0.000 1.529 311 H HN 0.977 nan 8.280 nan 0.000 0.519 312 N N 4.084 122.278 118.700 -0.843 0.000 2.705 312 N HA -0.169 4.571 4.740 -0.000 0.000 0.255 312 N C 0.557 175.438 175.510 -1.048 0.000 1.008 312 N CA 0.950 53.369 53.050 -1.050 0.000 0.742 312 N CB -0.431 37.296 38.487 -1.267 0.000 0.906 312 N HN 0.725 nan 8.380 nan 0.000 0.541 313 T N -1.054 113.070 114.554 -0.716 0.000 2.802 313 T HA -0.238 4.112 4.350 -0.000 0.000 0.269 313 T C 1.540 175.736 174.700 -0.839 0.000 1.062 313 T CA 1.850 63.517 62.100 -0.721 0.000 1.133 313 T CB -0.369 68.038 68.868 -0.769 0.000 0.852 313 T HN 0.667 nan 8.240 nan 0.000 0.485 314 Y N 0.818 120.773 120.300 -0.574 0.000 2.639 314 Y HA 0.384 4.934 4.550 -0.000 0.000 0.297 314 Y C 0.610 176.426 175.900 -0.139 0.000 1.151 314 Y CA -0.662 57.272 58.100 -0.276 0.000 1.335 314 Y CB -1.165 37.375 38.460 0.135 0.000 0.994 314 Y HN 0.120 nan 8.280 nan 0.000 0.548 315 L N 1.371 122.370 121.223 -0.374 0.000 2.326 315 L HA 0.203 4.543 4.340 -0.000 0.000 0.278 315 L C 0.866 177.663 176.870 -0.122 0.000 1.092 315 L CA -0.280 54.453 54.840 -0.179 0.000 0.810 315 L CB 1.524 43.412 42.059 -0.285 0.000 1.153 315 L HN 0.218 nan 8.230 nan 0.000 0.439 316 L N 1.452 122.650 121.223 -0.041 0.000 2.556 316 L HA 0.233 4.573 4.340 -0.000 0.000 0.226 316 L C 0.958 177.810 176.870 -0.030 0.000 1.089 316 L CA 0.450 55.270 54.840 -0.033 0.000 0.864 316 L CB 0.244 42.302 42.059 -0.002 0.000 1.067 316 L HN 0.759 nan 8.230 nan 0.000 0.477 317 E N -0.729 119.456 120.200 -0.024 0.000 4.551 317 E HA 0.103 4.453 4.350 -0.000 0.000 0.175 317 E C -0.780 175.806 176.600 -0.023 0.000 1.154 317 E CA -0.672 55.718 56.400 -0.016 0.000 0.860 317 E CB 0.364 30.068 29.700 0.006 0.000 2.083 317 E HN 0.105 nan 8.360 nan 0.000 0.446 318 D N 0.751 121.152 120.400 0.002 0.000 2.383 318 D HA 0.012 4.652 4.640 -0.000 0.000 0.248 318 D C 0.410 176.721 176.300 0.018 0.000 1.170 318 D CA -0.101 53.904 54.000 0.009 0.000 0.977 318 D CB 0.954 41.771 40.800 0.029 0.000 1.120 318 D HN 0.193 nan 8.370 nan 0.000 0.481 319 Q N -0.133 119.688 119.800 0.035 0.000 2.360 319 Q HA 0.131 4.471 4.340 -0.000 0.000 0.202 319 Q C 1.820 177.985 176.000 0.275 0.000 0.915 319 Q CA 0.188 56.035 55.803 0.073 0.000 0.943 319 Q CB 0.585 29.348 28.738 0.042 0.000 1.064 319 Q HN 0.547 nan 8.270 nan 0.000 0.511 320 L N -0.050 121.270 121.223 0.161 0.000 2.262 320 L HA 0.057 4.397 4.340 -0.000 0.000 0.197 320 L C 1.843 178.798 176.870 0.142 0.000 1.073 320 L CA 1.669 56.586 54.840 0.128 0.000 0.800 320 L CB 0.004 42.081 42.059 0.030 0.000 0.987 320 L HN 0.189 nan 8.230 nan 0.000 0.470 321 T N -3.594 111.034 114.554 0.123 0.000 3.192 321 T HA 0.255 4.605 4.350 -0.000 0.000 0.295 321 T C 0.725 175.502 174.700 0.128 0.000 0.947 321 T CA 0.111 62.304 62.100 0.156 0.000 0.916 321 T CB 0.119 69.061 68.868 0.123 0.000 1.169 321 T HN 0.128 nan 8.240 nan 0.000 0.540 322 G N 2.562 111.426 108.800 0.106 0.000 2.611 322 G HA2 0.570 4.530 3.960 -0.000 0.000 0.273 322 G HA3 0.570 4.530 3.960 -0.000 0.000 0.273 322 G C -2.746 172.214 174.900 0.099 0.000 1.305 322 G CA -1.218 43.930 45.100 0.080 0.000 1.010 322 G HN 0.287 nan 8.290 nan 0.000 0.509 323 P HA 0.372 nan 4.420 nan 0.000 0.285 323 P C -0.838 176.527 177.300 0.109 0.000 1.269 323 P CA -0.428 62.724 63.100 0.086 0.000 0.844 323 P CB 1.954 33.689 31.700 0.058 0.000 1.094 324 S N -0.054 115.728 115.700 0.136 0.000 2.607 324 S HA 0.725 5.195 4.470 -0.000 0.000 0.303 324 S C -0.410 174.267 174.600 0.129 0.000 1.086 324 S CA -0.491 57.822 58.200 0.188 0.000 0.995 324 S CB 1.385 64.748 63.200 0.272 0.000 1.084 324 S HN 0.619 nan 8.310 nan 0.000 0.507 325 S N -0.085 115.700 115.700 0.142 0.000 2.558 325 S HA 0.343 4.813 4.470 -0.000 0.000 0.277 325 S C 0.729 175.416 174.600 0.145 0.000 1.143 325 S CA -0.134 58.128 58.200 0.103 0.000 0.865 325 S CB 0.596 63.829 63.200 0.055 0.000 1.102 325 S HN 0.809 nan 8.310 nan 0.000 0.454 326 T N 0.783 115.398 114.554 0.101 0.000 2.915 326 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 326 T C 1.474 176.217 174.700 0.071 0.000 1.071 326 T CA 1.605 63.767 62.100 0.103 0.000 1.132 326 T CB -0.499 68.369 68.868 0.000 0.000 0.878 326 T HN 0.606 nan 8.240 nan 0.000 0.479 327 E N 2.408 122.619 120.200 0.018 0.000 2.130 327 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 327 E C 2.294 178.872 176.600 -0.038 0.000 0.998 327 E CA 1.549 57.928 56.400 -0.035 0.000 0.806 327 E CB -0.968 28.718 29.700 -0.024 0.000 0.738 327 E HN 0.618 nan 8.360 nan 0.000 0.459 328 A N -0.617 122.199 122.820 -0.006 0.000 1.908 328 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 328 A C 2.102 179.606 177.584 -0.133 0.000 1.181 328 A CA 1.693 53.684 52.037 -0.077 0.000 0.627 328 A CB -0.974 17.959 19.000 -0.112 0.000 0.818 328 A HN 0.437 nan 8.150 nan 0.000 0.445 329 Y N -0.380 119.855 120.300 -0.108 0.000 2.314 329 Y HA -0.046 4.504 4.550 -0.000 0.000 0.293 329 Y C 2.164 177.947 175.900 -0.196 0.000 1.129 329 Y CA 1.063 59.078 58.100 -0.142 0.000 1.201 329 Y CB -0.344 38.044 38.460 -0.120 0.000 0.999 329 Y HN 0.221 nan 8.280 nan 0.000 0.541 330 I N -0.274 120.220 120.570 -0.126 0.000 2.113 330 I HA -0.337 3.833 4.170 -0.000 0.000 0.238 330 I C 2.397 178.364 176.117 -0.250 0.000 1.070 330 I CA 1.381 62.448 61.300 -0.388 0.000 1.332 330 I CB -0.355 37.282 38.000 -0.606 0.000 1.044 330 I HN 0.071 nan 8.210 nan 0.000 0.402 331 R N 0.678 121.086 120.500 -0.153 0.000 2.112 331 R HA -0.240 4.100 4.340 -0.000 0.000 0.242 331 R C 2.415 178.712 176.300 -0.006 0.000 1.137 331 R CA 1.980 58.041 56.100 -0.065 0.000 0.944 331 R CB -0.685 29.593 30.300 -0.035 0.000 0.857 331 R HN 0.444 nan 8.270 nan 0.000 0.435 332 A N 0.762 123.561 122.820 -0.036 0.000 1.865 332 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 332 A C 2.200 179.761 177.584 -0.039 0.000 1.191 332 A CA 1.379 53.391 52.037 -0.041 0.000 0.623 332 A CB -0.682 18.137 19.000 -0.302 0.000 0.826 332 A HN 0.243 nan 8.150 nan 0.000 0.444 333 L N -0.916 120.262 121.223 -0.075 0.000 2.083 333 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 333 L C 2.640 179.523 176.870 0.022 0.000 1.083 333 L CA 1.218 56.031 54.840 -0.044 0.000 0.752 333 L CB -0.486 41.552 42.059 -0.034 0.000 0.899 333 L HN 0.518 nan 8.230 nan 0.000 0.433 334 C N -0.401 118.915 119.300 0.028 0.000 2.446 334 C HA -0.109 4.351 4.460 -0.000 0.000 0.279 334 C C 2.330 177.368 174.990 0.080 0.000 1.366 334 C CA 0.474 59.533 59.018 0.069 0.000 1.763 334 C CB -0.687 27.082 27.740 0.049 0.000 1.929 334 C HN 0.357 nan 8.230 nan 0.000 0.509 335 K N 0.228 120.690 120.400 0.104 0.000 2.522 335 K HA 0.196 4.516 4.320 -0.000 0.000 0.194 335 K C 1.417 178.121 176.600 0.173 0.000 1.026 335 K CA 0.653 57.029 56.287 0.148 0.000 1.119 335 K CB -0.106 32.521 32.500 0.211 0.000 0.856 335 K HN 0.572 nan 8.250 nan 0.000 0.513 336 G N 1.098 109.964 108.800 0.110 0.000 2.195 336 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.246 336 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.246 336 G C 0.418 175.308 174.900 -0.016 0.000 0.984 336 G CA -0.062 45.077 45.100 0.065 0.000 0.633 336 G HN 0.428 nan 8.290 nan 0.000 0.525 337 C N 1.847 121.139 119.300 -0.013 0.000 2.465 337 C HA 0.413 4.873 4.460 -0.000 0.000 0.402 337 C C 2.058 176.919 174.990 -0.214 0.000 1.448 337 C CA 0.739 59.638 59.018 -0.198 0.000 1.589 337 C CB -0.028 27.410 27.740 -0.504 0.000 2.535 337 C HN 0.505 nan 8.230 nan 0.000 0.600 338 R N 2.803 123.148 120.500 -0.258 0.000 2.195 338 R HA 0.142 4.482 4.340 -0.000 0.000 0.197 338 R C 0.601 176.816 176.300 -0.142 0.000 0.990 338 R CA 0.427 56.410 56.100 -0.194 0.000 1.048 338 R CB -0.502 29.626 30.300 -0.286 0.000 0.997 338 R HN 0.743 nan 8.270 nan 0.000 0.502 339 C N 3.035 122.238 119.300 -0.161 0.000 2.281 339 C HA 0.646 5.106 4.460 -0.000 0.000 0.323 339 C C -0.142 174.781 174.990 -0.112 0.000 1.270 339 C CA -0.731 58.236 59.018 -0.084 0.000 1.559 339 C CB -0.822 26.895 27.740 -0.038 0.000 2.239 339 C HN 0.225 nan 8.230 nan 0.000 0.488 340 L N 4.835 126.021 121.223 -0.060 0.000 2.322 340 L HA 0.681 5.021 4.340 -0.000 0.000 0.269 340 L C -0.025 176.863 176.870 0.029 0.000 1.012 340 L CA -0.540 54.272 54.840 -0.047 0.000 0.815 340 L CB 1.273 43.361 42.059 0.049 0.000 1.295 340 L HN 0.553 nan 8.230 nan 0.000 0.438 341 E N 1.669 121.886 120.200 0.028 0.000 2.171 341 E HA 0.563 4.913 4.350 -0.000 0.000 0.271 341 E C -1.585 175.173 176.600 0.264 0.000 0.916 341 E CA -0.765 55.688 56.400 0.087 0.000 0.774 341 E CB 2.405 32.087 29.700 -0.030 0.000 1.128 341 E HN 0.254 nan 8.360 nan 0.000 0.403 342 L N 3.396 124.770 121.223 0.252 0.000 2.372 342 L HA 0.275 4.615 4.340 -0.000 0.000 0.273 342 L C -0.838 176.183 176.870 0.251 0.000 0.989 342 L CA -0.524 54.499 54.840 0.306 0.000 0.841 342 L CB 1.407 43.605 42.059 0.232 0.000 1.225 342 L HN 0.331 nan 8.230 nan 0.000 0.414 343 D N 2.359 122.928 120.400 0.281 0.000 2.456 343 D HA 0.266 4.906 4.640 -0.000 0.000 0.219 343 D C -0.545 175.857 176.300 0.169 0.000 1.126 343 D CA -0.143 53.999 54.000 0.236 0.000 0.890 343 D CB 0.627 41.658 40.800 0.385 0.000 1.025 343 D HN 0.404 nan 8.370 nan 0.000 0.511 344 C N 2.683 121.989 119.300 0.009 0.000 2.435 344 C HA 0.581 5.041 4.460 -0.000 0.000 0.375 344 C C 0.024 174.819 174.990 -0.325 0.000 1.281 344 C CA -1.113 57.887 59.018 -0.030 0.000 1.963 344 C CB -0.880 26.812 27.740 -0.079 0.000 2.490 344 C HN 0.520 nan 8.230 nan 0.000 0.557 345 W N 0.538 121.903 121.300 0.108 0.000 2.950 345 W HA 0.397 5.057 4.660 -0.000 0.000 0.340 345 W C -0.428 176.122 176.519 0.051 0.000 1.139 345 W CA -0.468 56.943 57.345 0.109 0.000 1.188 345 W CB 0.706 30.280 29.460 0.190 0.000 1.426 345 W HN 0.505 nan 8.180 nan 0.000 0.531 346 D N 0.770 121.316 120.400 0.244 0.000 2.423 346 D HA 0.406 5.046 4.640 -0.000 0.000 0.238 346 D C 0.389 176.759 176.300 0.117 0.000 1.142 346 D CA 0.793 54.867 54.000 0.123 0.000 0.884 346 D CB 0.925 41.782 40.800 0.094 0.000 1.199 346 D HN 0.497 nan 8.370 nan 0.000 0.438 347 G N 0.492 109.329 108.800 0.062 0.000 2.680 347 G HA2 0.576 4.536 3.960 -0.000 0.000 0.290 347 G HA3 0.576 4.536 3.960 -0.000 0.000 0.290 347 G C -2.870 172.036 174.900 0.011 0.000 1.355 347 G CA -1.353 43.763 45.100 0.027 0.000 0.903 347 G HN 0.206 nan 8.290 nan 0.000 0.474 348 P HA 0.007 nan 4.420 nan 0.000 0.269 348 P C 0.550 177.852 177.300 0.003 0.000 1.211 348 P CA 0.051 63.145 63.100 -0.010 0.000 0.781 348 P CB 0.366 32.051 31.700 -0.024 0.000 0.877 349 N N 1.389 120.090 118.700 0.002 0.000 2.708 349 N HA -0.284 4.456 4.740 -0.000 0.000 0.249 349 N C -0.325 175.194 175.510 0.015 0.000 1.097 349 N CA 0.908 53.963 53.050 0.008 0.000 0.710 349 N CB -0.801 37.692 38.487 0.010 0.000 1.032 349 N HN 0.521 nan 8.380 nan 0.000 0.551 350 Q N -2.375 117.432 119.800 0.012 0.000 2.481 350 Q HA -0.204 4.136 4.340 -0.000 0.000 0.258 350 Q C -0.995 175.023 176.000 0.030 0.000 0.961 350 Q CA 1.292 57.101 55.803 0.011 0.000 1.121 350 Q CB -1.028 27.710 28.738 0.000 0.000 1.503 350 Q HN 0.564 nan 8.270 nan 0.000 0.544 351 E N 0.721 120.950 120.200 0.049 0.000 2.155 351 E HA 0.388 4.738 4.350 -0.000 0.000 0.264 351 E C -2.395 174.255 176.600 0.082 0.000 0.886 351 E CA -2.142 54.316 56.400 0.096 0.000 0.752 351 E CB 1.511 31.268 29.700 0.096 0.000 1.133 351 E HN -0.055 nan 8.360 nan 0.000 0.414 352 P HA 0.107 nan 4.420 nan 0.000 0.268 352 P C -0.035 177.349 177.300 0.140 0.000 1.205 352 P CA 0.245 63.379 63.100 0.057 0.000 0.771 352 P CB 0.410 32.050 31.700 -0.100 0.000 0.858 353 I N -0.140 120.525 120.570 0.159 0.000 3.133 353 I HA 0.642 4.812 4.170 -0.000 0.000 0.311 353 I C -0.625 175.654 176.117 0.270 0.000 1.072 353 I CA -1.364 60.040 61.300 0.173 0.000 1.015 353 I CB 2.051 40.100 38.000 0.082 0.000 1.233 353 I HN 0.085 nan 8.210 nan 0.000 0.473 354 I N 2.794 123.491 120.570 0.212 0.000 2.499 354 I HA 0.503 4.673 4.170 -0.000 0.000 0.288 354 I C -1.255 174.910 176.117 0.079 0.000 1.048 354 I CA -0.529 60.868 61.300 0.162 0.000 1.062 354 I CB 1.988 40.010 38.000 0.037 0.000 1.238 354 I HN 0.773 nan 8.210 nan 0.000 0.426 355 Y N 3.891 124.031 120.300 -0.267 0.000 2.818 355 Y HA 0.350 4.900 4.550 -0.000 0.000 0.341 355 Y C -1.167 174.653 175.900 -0.133 0.000 1.283 355 Y CA -1.349 56.556 58.100 -0.327 0.000 1.075 355 Y CB 0.794 39.159 38.460 -0.157 0.000 1.370 355 Y HN 0.472 nan 8.280 nan 0.000 0.448 356 H N 1.260 120.097 119.070 -0.390 0.000 2.934 356 H HA 0.390 4.946 4.556 -0.000 0.000 0.273 356 H C 0.551 175.349 175.328 -0.884 0.000 1.121 356 H CA -0.098 55.767 56.048 -0.305 0.000 1.451 356 H CB 0.377 30.151 29.762 0.020 0.000 1.469 356 H HN 1.097 nan 8.280 nan 0.000 0.476 357 G N 3.994 112.283 108.800 -0.852 0.000 2.150 357 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.250 357 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.250 357 G C -0.590 173.699 174.900 -1.019 0.000 1.179 357 G CA 0.212 44.421 45.100 -1.485 0.000 0.934 357 G HN 0.957 nan 8.290 nan 0.000 0.453 358 Y N -0.822 119.071 120.300 -0.678 0.000 4.838 358 Y HA -0.287 4.263 4.550 -0.000 0.000 0.247 358 Y C 1.409 177.220 175.900 -0.148 0.000 1.009 358 Y CA 0.995 58.911 58.100 -0.307 0.000 2.046 358 Y CB -2.544 35.779 38.460 -0.228 0.000 1.549 358 Y HN 1.092 nan 8.280 nan 0.000 0.651 359 T N -4.871 109.665 114.554 -0.029 0.000 2.724 359 T HA 0.731 5.081 4.350 -0.000 0.000 0.274 359 T C -0.002 175.039 174.700 0.568 0.000 0.984 359 T CA -0.586 61.620 62.100 0.177 0.000 1.024 359 T CB 1.104 69.998 68.868 0.044 0.000 1.320 359 T HN -0.133 nan 8.240 nan 0.000 0.555 360 F N 1.366 121.354 119.950 0.063 0.000 2.639 360 F HA 0.287 4.814 4.527 -0.000 0.000 0.300 360 F C 1.526 177.387 175.800 0.102 0.000 1.109 360 F CA -1.065 56.976 58.000 0.069 0.000 1.335 360 F CB -1.072 37.952 39.000 0.040 0.000 1.014 360 F HN 0.713 nan 8.300 nan 0.000 0.537 361 T N -1.166 113.598 114.554 0.350 0.000 2.928 361 T HA 0.176 4.526 4.350 -0.000 0.000 0.305 361 T C 0.777 175.623 174.700 0.244 0.000 1.035 361 T CA -0.385 61.889 62.100 0.291 0.000 1.145 361 T CB 1.074 70.146 68.868 0.339 0.000 0.963 361 T HN 0.287 nan 8.240 nan 0.000 0.545 362 S N 2.435 118.226 115.700 0.152 0.000 2.560 362 S HA 0.182 4.652 4.470 -0.000 0.000 0.276 362 S C -0.126 174.518 174.600 0.074 0.000 1.350 362 S CA -0.215 58.027 58.200 0.070 0.000 1.024 362 S CB 0.057 63.291 63.200 0.057 0.000 0.864 362 S HN 0.808 nan 8.310 nan 0.000 0.536 363 K N 0.966 121.348 120.400 -0.030 0.000 2.258 363 K HA 0.838 5.158 4.320 -0.000 0.000 0.236 363 K C -0.390 176.205 176.600 -0.009 0.000 1.008 363 K CA -0.659 55.595 56.287 -0.055 0.000 0.869 363 K CB 1.453 33.806 32.500 -0.245 0.000 1.171 363 K HN 0.788 nan 8.250 nan 0.000 0.447 364 I N -3.001 117.574 120.570 0.007 0.000 3.149 364 I HA 0.398 4.568 4.170 -0.000 0.000 0.310 364 I C -1.470 174.660 176.117 0.022 0.000 1.343 364 I CA -1.277 60.032 61.300 0.016 0.000 0.955 364 I CB 1.227 39.253 38.000 0.043 0.000 1.309 364 I HN 0.284 nan 8.210 nan 0.000 0.478 365 L N 2.073 123.300 121.223 0.007 0.000 2.350 365 L HA 0.340 4.680 4.340 -0.000 0.000 0.275 365 L C 0.740 177.626 176.870 0.026 0.000 1.099 365 L CA -0.333 54.523 54.840 0.026 0.000 0.808 365 L CB 1.233 43.289 42.059 -0.006 0.000 1.149 365 L HN 0.741 nan 8.230 nan 0.000 0.442 366 F N 2.684 122.598 119.950 -0.059 0.000 2.095 366 F HA -0.283 4.244 4.527 -0.000 0.000 0.298 366 F C 2.546 178.248 175.800 -0.163 0.000 1.104 366 F CA 2.005 59.960 58.000 -0.075 0.000 1.232 366 F CB -0.038 38.960 39.000 -0.004 0.000 0.987 366 F HN 0.732 nan 8.300 nan 0.000 0.475 367 C N 0.258 119.468 119.300 -0.150 0.000 2.413 367 C HA -0.198 4.262 4.460 -0.000 0.000 0.277 367 C C 2.467 177.278 174.990 -0.298 0.000 1.228 367 C CA 1.004 59.786 59.018 -0.393 0.000 1.731 367 C CB -1.506 25.882 27.740 -0.587 0.000 2.042 367 C HN 0.465 nan 8.230 nan 0.000 0.468 368 D N 1.292 121.571 120.400 -0.201 0.000 2.133 368 D HA -0.128 4.512 4.640 -0.000 0.000 0.192 368 D C 2.357 178.532 176.300 -0.208 0.000 1.001 368 D CA 1.720 55.628 54.000 -0.154 0.000 0.844 368 D CB -0.636 40.106 40.800 -0.095 0.000 0.944 368 D HN 0.455 nan 8.370 nan 0.000 0.447 369 V N 0.981 120.718 119.914 -0.296 0.000 2.332 369 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 369 V C 2.639 178.461 176.094 -0.453 0.000 1.055 369 V CA 1.112 63.144 62.300 -0.447 0.000 1.038 369 V CB -0.431 31.024 31.823 -0.613 0.000 0.651 369 V HN 0.258 nan 8.190 nan 0.000 0.450 370 L N -0.678 120.259 121.223 -0.476 0.000 2.127 370 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 370 L C 2.779 179.524 176.870 -0.209 0.000 1.089 370 L CA 1.682 56.294 54.840 -0.380 0.000 0.757 370 L CB -0.526 41.292 42.059 -0.402 0.000 0.899 370 L HN 0.333 nan 8.230 nan 0.000 0.434 371 R N -0.366 120.032 120.500 -0.169 0.000 2.062 371 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 371 R C 2.477 178.757 176.300 -0.033 0.000 1.128 371 R CA 1.179 57.229 56.100 -0.083 0.000 0.960 371 R CB -0.498 29.762 30.300 -0.067 0.000 0.855 371 R HN 0.297 nan 8.270 nan 0.000 0.432 372 A N 1.590 124.384 122.820 -0.043 0.000 1.892 372 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 372 A C 2.197 179.825 177.584 0.072 0.000 1.188 372 A CA 1.583 53.647 52.037 0.045 0.000 0.631 372 A CB -0.683 18.286 19.000 -0.051 0.000 0.822 372 A HN 0.213 nan 8.150 nan 0.000 0.447 373 I N -1.049 119.478 120.570 -0.071 0.000 2.226 373 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 373 I C 2.722 178.818 176.117 -0.035 0.000 1.100 373 I CA 1.677 62.934 61.300 -0.071 0.000 1.374 373 I CB -0.302 37.607 38.000 -0.151 0.000 1.057 373 I HN 0.398 nan 8.210 nan 0.000 0.413 374 R N 0.971 121.453 120.500 -0.030 0.000 2.073 374 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 374 R C 1.694 178.007 176.300 0.022 0.000 1.134 374 R CA 2.125 58.225 56.100 0.001 0.000 0.952 374 R CB -0.241 30.055 30.300 -0.007 0.000 0.850 374 R HN 0.318 nan 8.270 nan 0.000 0.433 375 D N -0.738 119.683 120.400 0.034 0.000 2.183 375 D HA -0.140 4.500 4.640 -0.000 0.000 0.203 375 D C 1.061 177.265 176.300 -0.161 0.000 0.969 375 D CA 1.290 55.253 54.000 -0.061 0.000 0.842 375 D CB -0.050 40.702 40.800 -0.079 0.000 0.957 375 D HN 0.382 nan 8.370 nan 0.000 0.484 376 Y N 0.071 120.341 120.300 -0.050 0.000 2.445 376 Y HA 0.415 4.965 4.550 -0.000 0.000 0.247 376 Y C 2.075 177.890 175.900 -0.141 0.000 1.129 376 Y CA -0.249 57.816 58.100 -0.059 0.000 1.251 376 Y CB -0.064 38.370 38.460 -0.044 0.000 1.176 376 Y HN -0.136 nan 8.280 nan 0.000 0.522 377 A N 0.178 122.919 122.820 -0.132 0.000 2.009 377 A HA -0.232 4.088 4.320 -0.000 0.000 0.222 377 A C 1.151 178.225 177.584 -0.851 0.000 1.175 377 A CA 2.192 53.884 52.037 -0.576 0.000 0.651 377 A CB -0.942 17.525 19.000 -0.889 0.000 0.815 377 A HN 0.464 nan 8.150 nan 0.000 0.459 378 F N -1.894 118.075 119.950 0.032 0.000 2.729 378 F HA 0.258 4.785 4.527 -0.000 0.000 0.315 378 F C 1.453 177.257 175.800 0.008 0.000 1.102 378 F CA -0.003 58.003 58.000 0.009 0.000 1.204 378 F CB 0.144 39.127 39.000 -0.028 0.000 1.052 378 F HN 0.143 nan 8.300 nan 0.000 0.551 379 K N 1.883 122.354 120.400 0.117 0.000 2.044 379 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 379 K C 2.043 178.703 176.600 0.099 0.000 1.049 379 K CA 2.029 58.370 56.287 0.089 0.000 0.927 379 K CB -0.227 32.339 32.500 0.110 0.000 0.713 379 K HN 0.195 nan 8.250 nan 0.000 0.443 380 A N -0.377 122.505 122.820 0.104 0.000 2.132 380 A HA 0.154 4.474 4.320 -0.000 0.000 0.213 380 A C 0.640 178.298 177.584 0.124 0.000 1.154 380 A CA 0.593 52.690 52.037 0.101 0.000 0.753 380 A CB 0.007 19.061 19.000 0.090 0.000 0.826 380 A HN 0.379 nan 8.150 nan 0.000 0.469 381 S N -1.850 113.944 115.700 0.157 0.000 2.586 381 S HA 0.426 4.896 4.470 -0.000 0.000 0.277 381 S C -2.865 171.886 174.600 0.253 0.000 1.131 381 S CA -0.249 58.068 58.200 0.194 0.000 0.848 381 S CB 1.549 64.906 63.200 0.262 0.000 1.091 381 S HN -0.082 nan 8.310 nan 0.000 0.453 382 P HA 0.150 nan 4.420 nan 0.000 0.240 382 P C -0.041 177.143 177.300 -0.194 0.000 1.190 382 P CA 0.368 63.368 63.100 -0.168 0.000 0.781 382 P CB -0.205 31.208 31.700 -0.479 0.000 0.931 383 Y N 1.661 122.086 120.300 0.209 0.000 2.314 383 Y HA 0.270 4.820 4.550 -0.000 0.000 0.334 383 Y C -1.497 174.598 175.900 0.325 0.000 1.266 383 Y CA -2.704 55.472 58.100 0.127 0.000 1.391 383 Y CB -1.092 37.351 38.460 -0.029 0.000 1.306 383 Y HN -0.121 nan 8.280 nan 0.000 0.558 384 P HA -0.067 nan 4.420 nan 0.000 0.263 384 P C -0.750 176.758 177.300 0.347 0.000 1.175 384 P CA 0.264 63.571 63.100 0.345 0.000 0.761 384 P CB 0.402 32.208 31.700 0.177 0.000 0.794 385 V N 5.346 125.377 119.914 0.196 0.000 2.483 385 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 385 V C 0.500 176.640 176.094 0.077 0.000 1.035 385 V CA -0.591 61.740 62.300 0.050 0.000 0.896 385 V CB 1.390 33.136 31.823 -0.129 0.000 0.986 385 V HN 0.371 nan 8.190 nan 0.000 0.447 386 I N 5.624 126.230 120.570 0.059 0.000 2.404 386 I HA 0.425 4.595 4.170 -0.000 0.000 0.293 386 I C -0.641 175.508 176.117 0.054 0.000 0.992 386 I CA -0.473 60.873 61.300 0.077 0.000 1.149 386 I CB 1.607 39.666 38.000 0.098 0.000 1.315 386 I HN 0.294 nan 8.210 nan 0.000 0.446 387 L N 5.205 126.468 121.223 0.066 0.000 2.287 387 L HA 0.348 4.688 4.340 -0.000 0.000 0.287 387 L C 0.180 177.098 176.870 0.081 0.000 1.022 387 L CA -0.282 54.597 54.840 0.065 0.000 0.814 387 L CB 1.648 43.742 42.059 0.059 0.000 1.217 387 L HN 0.523 nan 8.230 nan 0.000 0.420 388 S N 4.734 120.483 115.700 0.082 0.000 2.415 388 S HA 0.499 4.969 4.470 -0.000 0.000 0.313 388 S C -0.214 174.438 174.600 0.087 0.000 1.067 388 S CA -0.595 57.653 58.200 0.080 0.000 1.099 388 S CB -0.085 63.160 63.200 0.074 0.000 0.991 388 S HN 0.355 nan 8.310 nan 0.000 0.491 389 L N 4.262 125.529 121.223 0.073 0.000 2.305 389 L HA 0.497 4.837 4.340 -0.000 0.000 0.281 389 L C 0.600 177.466 176.870 -0.007 0.000 1.085 389 L CA -0.226 54.651 54.840 0.062 0.000 0.813 389 L CB 0.935 43.031 42.059 0.061 0.000 1.157 389 L HN 0.548 nan 8.230 nan 0.000 0.436 390 E N 3.122 123.304 120.200 -0.031 0.000 2.346 390 E HA 0.138 4.488 4.350 -0.000 0.000 0.239 390 E C -0.945 175.455 176.600 -0.335 0.000 0.943 390 E CA -0.593 55.728 56.400 -0.131 0.000 0.751 390 E CB 0.855 30.565 29.700 0.017 0.000 1.241 390 E HN 0.459 nan 8.360 nan 0.000 0.423 391 N N 1.823 120.256 118.700 -0.446 0.000 2.520 391 N HA 0.060 4.800 4.740 -0.000 0.000 0.273 391 N C -0.574 174.360 175.510 -0.960 0.000 1.155 391 N CA 0.337 53.073 53.050 -0.524 0.000 0.967 391 N CB 0.511 38.804 38.487 -0.324 0.000 1.092 391 N HN 0.523 nan 8.380 nan 0.000 0.457 392 H N 1.470 120.184 119.070 -0.593 0.000 2.904 392 H HA 0.228 4.784 4.556 -0.000 0.000 0.242 392 H C -0.543 174.568 175.328 -0.362 0.000 1.193 392 H CA -0.335 55.296 56.048 -0.695 0.000 0.946 392 H CB -0.118 28.548 29.762 -1.825 0.000 2.135 392 H HN 0.356 nan 8.280 nan 0.000 0.652 393 C N 2.602 121.775 119.300 -0.212 0.000 2.341 393 C HA 0.364 4.824 4.460 -0.000 0.000 0.338 393 C C 1.319 176.261 174.990 -0.080 0.000 1.257 393 C CA -0.493 58.456 59.018 -0.115 0.000 1.883 393 C CB 0.893 28.539 27.740 -0.156 0.000 2.334 393 C HN 0.668 nan 8.230 nan 0.000 0.524 394 S N 3.382 119.062 115.700 -0.033 0.000 2.560 394 S HA 0.032 4.502 4.470 -0.000 0.000 0.276 394 S C 1.101 175.669 174.600 -0.052 0.000 1.350 394 S CA -0.080 58.104 58.200 -0.026 0.000 1.024 394 S CB 0.223 63.417 63.200 -0.010 0.000 0.864 394 S HN 0.651 nan 8.310 nan 0.000 0.536 395 L N 0.335 121.532 121.223 -0.044 0.000 2.079 395 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 395 L C 2.963 179.798 176.870 -0.058 0.000 1.081 395 L CA 1.932 56.740 54.840 -0.053 0.000 0.752 395 L CB -0.832 41.204 42.059 -0.039 0.000 0.896 395 L HN 0.805 nan 8.230 nan 0.000 0.433 396 E N 0.734 120.905 120.200 -0.047 0.000 2.005 396 E HA -0.248 4.102 4.350 -0.000 0.000 0.198 396 E C 2.124 178.682 176.600 -0.070 0.000 1.010 396 E CA 1.703 58.073 56.400 -0.050 0.000 0.825 396 E CB -0.324 29.355 29.700 -0.036 0.000 0.769 396 E HN 0.374 nan 8.360 nan 0.000 0.456 397 Q N -0.076 119.684 119.800 -0.067 0.000 2.197 397 Q HA -0.232 4.108 4.340 -0.000 0.000 0.207 397 Q C 2.335 178.249 176.000 -0.144 0.000 0.984 397 Q CA 1.607 57.356 55.803 -0.090 0.000 0.869 397 Q CB -0.234 28.465 28.738 -0.064 0.000 0.906 397 Q HN 0.503 nan 8.270 nan 0.000 0.426 398 Q N 0.445 120.164 119.800 -0.135 0.000 2.030 398 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 398 Q C 2.177 178.088 176.000 -0.148 0.000 0.986 398 Q CA 1.373 57.080 55.803 -0.160 0.000 0.843 398 Q CB -0.184 28.479 28.738 -0.125 0.000 0.904 398 Q HN 0.392 nan 8.270 nan 0.000 0.420 399 R N 0.129 120.561 120.500 -0.113 0.000 2.083 399 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 399 R C 2.408 178.629 176.300 -0.132 0.000 1.137 399 R CA 1.565 57.604 56.100 -0.101 0.000 0.951 399 R CB -0.935 29.318 30.300 -0.079 0.000 0.851 399 R HN 0.093 nan 8.270 nan 0.000 0.434 400 V N 2.027 121.844 119.914 -0.162 0.000 2.250 400 V HA -0.368 3.752 4.120 -0.000 0.000 0.253 400 V C 2.537 178.458 176.094 -0.288 0.000 1.065 400 V CA 2.220 64.369 62.300 -0.251 0.000 1.039 400 V CB -0.520 31.183 31.823 -0.200 0.000 0.647 400 V HN 0.341 nan 8.190 nan 0.000 0.446 401 M N -0.352 119.108 119.600 -0.235 0.000 2.110 401 M HA -0.279 4.201 4.480 -0.000 0.000 0.257 401 M C 2.381 178.674 176.300 -0.012 0.000 1.071 401 M CA 2.554 57.687 55.300 -0.279 0.000 1.096 401 M CB -0.776 31.484 32.600 -0.566 0.000 1.300 401 M HN 0.437 nan 8.290 nan 0.000 0.411 402 A N 0.233 123.016 122.820 -0.061 0.000 2.032 402 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 402 A C 2.102 179.697 177.584 0.019 0.000 1.165 402 A CA 1.665 53.703 52.037 0.001 0.000 0.645 402 A CB -0.652 18.331 19.000 -0.029 0.000 0.807 402 A HN 0.500 nan 8.150 nan 0.000 0.453 403 R N -1.660 118.813 120.500 -0.044 0.000 2.055 403 R HA -0.063 4.277 4.340 -0.000 0.000 0.228 403 R C 2.132 178.464 176.300 0.053 0.000 1.143 403 R CA 1.222 57.291 56.100 -0.051 0.000 0.945 403 R CB -0.715 29.488 30.300 -0.162 0.000 0.841 403 R HN 0.568 nan 8.270 nan 0.000 0.429 404 H N 1.328 120.460 119.070 0.103 0.000 2.321 404 H HA -0.165 4.391 4.556 -0.000 0.000 0.295 404 H C 2.279 177.682 175.328 0.125 0.000 1.102 404 H CA 1.554 57.686 56.048 0.141 0.000 1.266 404 H CB -0.511 29.417 29.762 0.277 0.000 1.363 404 H HN 0.120 nan 8.280 nan 0.000 0.492 405 L N -0.011 121.393 121.223 0.302 0.000 1.970 405 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 405 L C 2.957 179.896 176.870 0.115 0.000 1.071 405 L CA 1.547 56.499 54.840 0.187 0.000 0.751 405 L CB -0.374 41.796 42.059 0.185 0.000 0.889 405 L HN 0.131 nan 8.230 nan 0.000 0.432 406 R N -0.594 119.964 120.500 0.098 0.000 2.073 406 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 406 R C 2.342 178.680 176.300 0.064 0.000 1.134 406 R CA 1.458 57.598 56.100 0.066 0.000 0.952 406 R CB -0.391 29.937 30.300 0.047 0.000 0.850 406 R HN 0.422 nan 8.270 nan 0.000 0.433 407 A N 0.883 123.751 122.820 0.081 0.000 1.851 407 A HA -0.179 4.140 4.320 -0.000 0.000 0.216 407 A C 2.103 179.726 177.584 0.066 0.000 1.195 407 A CA 1.554 53.637 52.037 0.077 0.000 0.622 407 A CB -0.517 18.551 19.000 0.114 0.000 0.831 407 A HN 0.273 nan 8.150 nan 0.000 0.444 408 I N -1.066 119.550 120.570 0.076 0.000 2.339 408 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 408 I C 1.992 178.125 176.117 0.027 0.000 1.096 408 I CA 0.537 61.860 61.300 0.038 0.000 1.408 408 I CB -0.299 37.708 38.000 0.010 0.000 1.092 408 I HN 0.163 nan 8.210 nan 0.000 0.423 409 L N 0.856 122.101 121.223 0.036 0.000 2.217 409 L HA 0.081 4.421 4.340 -0.000 0.000 0.211 409 L C 1.787 178.684 176.870 0.044 0.000 1.107 409 L CA 1.387 56.250 54.840 0.040 0.000 0.783 409 L CB -1.968 40.120 42.059 0.048 0.000 0.919 409 L HN 0.452 nan 8.230 nan 0.000 0.442 410 G N 0.566 109.391 108.800 0.041 0.000 2.634 410 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.309 410 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.309 410 G C -1.215 173.704 174.900 0.032 0.000 1.265 410 G CA 0.414 45.534 45.100 0.033 0.000 0.998 410 G HN 0.262 nan 8.290 nan 0.000 0.551 411 P HA 0.096 nan 4.420 nan 0.000 0.226 411 P C 2.022 179.334 177.300 0.020 0.000 1.153 411 P CA 1.304 64.413 63.100 0.015 0.000 0.777 411 P CB -0.060 31.640 31.700 -0.000 0.000 0.794 412 I N -0.908 119.685 120.570 0.037 0.000 2.226 412 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 412 I C 1.328 177.490 176.117 0.075 0.000 1.100 412 I CA 0.354 61.693 61.300 0.065 0.000 1.374 412 I CB -0.646 37.433 38.000 0.132 0.000 1.057 412 I HN -0.041 nan 8.210 nan 0.000 0.413 413 L N 1.669 122.933 121.223 0.069 0.000 2.559 413 L HA -0.000 4.340 4.340 -0.000 0.000 0.282 413 L C -0.243 176.664 176.870 0.062 0.000 1.232 413 L CA 0.466 55.348 54.840 0.070 0.000 0.885 413 L CB 0.127 42.225 42.059 0.064 0.000 1.131 413 L HN 0.069 nan 8.230 nan 0.000 0.498 414 L N 5.292 126.559 121.223 0.073 0.000 2.264 414 L HA 0.399 4.739 4.340 -0.000 0.000 0.287 414 L C 0.078 177.001 176.870 0.088 0.000 1.039 414 L CA 0.046 54.930 54.840 0.073 0.000 0.829 414 L CB 0.526 42.629 42.059 0.073 0.000 1.211 414 L HN 0.788 nan 8.230 nan 0.000 0.427 415 D N 2.396 122.841 120.400 0.075 0.000 2.479 415 D HA 0.157 4.797 4.640 -0.000 0.000 0.218 415 D C -0.321 176.019 176.300 0.066 0.000 1.177 415 D CA -0.035 54.006 54.000 0.068 0.000 0.830 415 D CB 0.430 41.259 40.800 0.049 0.000 1.014 415 D HN 0.377 nan 8.370 nan 0.000 0.503 416 Q N 0.647 120.499 119.800 0.087 0.000 2.320 416 Q HA 0.347 4.687 4.340 -0.000 0.000 0.272 416 Q C -2.823 173.259 176.000 0.137 0.000 1.023 416 Q CA -1.457 54.394 55.803 0.080 0.000 0.855 416 Q CB 2.531 31.300 28.738 0.052 0.000 1.367 416 Q HN -0.028 nan 8.270 nan 0.000 0.406 417 P HA 0.011 nan 4.420 nan 0.000 0.267 417 P C -0.319 177.107 177.300 0.210 0.000 1.195 417 P CA 0.042 63.262 63.100 0.201 0.000 0.773 417 P CB 0.504 32.226 31.700 0.036 0.000 0.837 418 L N 2.625 124.031 121.223 0.305 0.000 2.331 418 L HA 0.127 4.467 4.340 -0.000 0.000 0.278 418 L C 1.009 177.950 176.870 0.119 0.000 1.106 418 L CA -0.042 54.896 54.840 0.163 0.000 0.824 418 L CB 0.138 42.274 42.059 0.129 0.000 1.142 418 L HN 0.342 nan 8.230 nan 0.000 0.443 419 D N 2.773 123.215 120.400 0.070 0.000 2.493 419 D HA 0.267 4.907 4.640 -0.000 0.000 0.240 419 D C 0.680 177.010 176.300 0.050 0.000 1.142 419 D CA 1.542 55.573 54.000 0.051 0.000 0.872 419 D CB 0.940 41.759 40.800 0.032 0.000 1.173 419 D HN 0.717 nan 8.370 nan 0.000 0.467 420 G N 2.461 111.290 108.800 0.049 0.000 3.138 420 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.247 420 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.247 420 G C 0.224 175.161 174.900 0.062 0.000 1.642 420 G CA -0.182 44.943 45.100 0.043 0.000 1.087 420 G HN 0.999 nan 8.290 nan 0.000 0.558 421 V N 2.180 122.134 119.914 0.066 0.000 5.694 421 V HA -0.176 3.944 4.120 -0.000 0.000 0.124 421 V C 1.897 178.053 176.094 0.103 0.000 0.737 421 V CA 3.125 65.480 62.300 0.092 0.000 0.498 421 V CB -1.677 30.280 31.823 0.223 0.000 0.174 421 V HN 1.721 nan 8.190 nan 0.000 0.335 422 T N -1.929 112.655 114.554 0.050 0.000 3.058 422 T HA 0.003 4.353 4.350 -0.000 0.000 0.247 422 T C 1.539 176.339 174.700 0.166 0.000 0.987 422 T CA 0.634 62.809 62.100 0.126 0.000 1.062 422 T CB 0.430 69.356 68.868 0.096 0.000 1.048 422 T HN 0.712 nan 8.240 nan 0.000 0.468 423 T N -1.179 113.368 114.554 -0.012 0.000 3.014 423 T HA 0.424 4.774 4.350 -0.000 0.000 0.250 423 T C 0.866 175.338 174.700 -0.379 0.000 1.060 423 T CA -0.062 62.036 62.100 -0.004 0.000 1.040 423 T CB 0.160 69.049 68.868 0.035 0.000 0.971 423 T HN 0.251 nan 8.240 nan 0.000 0.497 424 S N -0.562 114.704 115.700 -0.724 0.000 2.740 424 S HA 0.728 5.198 4.470 -0.000 0.000 0.300 424 S C -0.996 173.026 174.600 -0.962 0.000 1.147 424 S CA -0.884 56.829 58.200 -0.811 0.000 0.871 424 S CB 1.250 64.271 63.200 -0.299 0.000 1.173 424 S HN 0.368 nan 8.310 nan 0.000 0.510 425 L N 2.576 123.568 121.223 -0.386 0.000 2.418 425 L HA 0.403 4.743 4.340 -0.000 0.000 0.265 425 L C -2.102 174.744 176.870 -0.040 0.000 1.143 425 L CA -1.923 52.921 54.840 0.007 0.000 0.809 425 L CB 0.811 42.992 42.059 0.204 0.000 1.124 425 L HN 0.441 nan 8.230 nan 0.000 0.456 426 P HA 0.059 nan 4.420 nan 0.000 0.274 426 P C -1.030 176.210 177.300 -0.101 0.000 1.260 426 P CA -0.461 62.578 63.100 -0.101 0.000 0.793 426 P CB 0.541 32.106 31.700 -0.226 0.000 1.048 427 S N -0.734 114.898 115.700 -0.114 0.000 2.687 427 S HA 0.431 4.901 4.470 -0.000 0.000 0.283 427 S C -1.989 172.470 174.600 -0.236 0.000 1.170 427 S CA -1.399 56.720 58.200 -0.135 0.000 1.008 427 S CB 0.769 63.914 63.200 -0.092 0.000 1.026 427 S HN 0.168 nan 8.310 nan 0.000 0.541 428 P HA -0.104 nan 4.420 nan 0.000 0.216 428 P C 1.443 178.669 177.300 -0.125 0.000 1.150 428 P CA 1.069 63.816 63.100 -0.587 0.000 0.837 428 P CB 0.082 31.014 31.700 -1.280 0.000 0.786 429 E N -0.047 120.104 120.200 -0.081 0.000 2.038 429 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 429 E C 2.092 178.664 176.600 -0.046 0.000 1.000 429 E CA 1.422 57.839 56.400 0.029 0.000 0.803 429 E CB -0.685 29.018 29.700 0.005 0.000 0.750 429 E HN 0.413 nan 8.360 nan 0.000 0.448 430 Q N 0.020 119.774 119.800 -0.076 0.000 2.112 430 Q HA -0.120 4.220 4.340 -0.000 0.000 0.206 430 Q C 2.153 178.096 176.000 -0.095 0.000 0.987 430 Q CA 1.076 56.830 55.803 -0.081 0.000 0.858 430 Q CB -0.138 28.550 28.738 -0.084 0.000 0.905 430 Q HN 0.227 nan 8.270 nan 0.000 0.420 431 L N 0.558 121.713 121.223 -0.112 0.000 2.591 431 L HA 0.080 4.420 4.340 -0.000 0.000 0.228 431 L C 0.584 177.408 176.870 -0.078 0.000 1.133 431 L CA -0.225 54.554 54.840 -0.102 0.000 0.880 431 L CB 0.032 42.021 42.059 -0.118 0.000 1.033 431 L HN 0.022 nan 8.230 nan 0.000 0.450 432 K N 0.862 121.201 120.400 -0.102 0.000 2.504 432 K HA 0.073 4.393 4.320 -0.000 0.000 0.278 432 K C 1.264 177.710 176.600 -0.257 0.000 1.025 432 K CA 1.097 57.270 56.287 -0.190 0.000 1.093 432 K CB 0.152 32.494 32.500 -0.264 0.000 0.873 432 K HN 0.235 nan 8.250 nan 0.000 0.483 433 G N 2.843 111.401 108.800 -0.404 0.000 2.253 433 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.251 433 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.251 433 G C -0.180 174.510 174.900 -0.350 0.000 0.998 433 G CA 0.240 44.927 45.100 -0.688 0.000 0.621 433 G HN 0.543 nan 8.290 nan 0.000 0.524 434 K N 0.103 120.478 120.400 -0.042 0.000 2.148 434 K HA 0.813 5.133 4.320 -0.000 0.000 0.239 434 K C 0.219 176.986 176.600 0.277 0.000 1.018 434 K CA -0.877 55.469 56.287 0.099 0.000 0.923 434 K CB 1.011 33.534 32.500 0.039 0.000 1.117 434 K HN 0.297 nan 8.250 nan 0.000 0.477 435 I N 2.396 123.085 120.570 0.197 0.000 2.447 435 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 435 I C -0.565 175.620 176.117 0.113 0.000 1.023 435 I CA -0.773 60.623 61.300 0.160 0.000 1.083 435 I CB 1.174 39.246 38.000 0.121 0.000 1.245 435 I HN 0.244 nan 8.210 nan 0.000 0.434 436 L N 5.410 126.698 121.223 0.108 0.000 2.334 436 L HA 0.678 5.018 4.340 -0.000 0.000 0.270 436 L C -0.748 176.189 176.870 0.111 0.000 1.018 436 L CA -0.982 53.924 54.840 0.110 0.000 0.811 436 L CB 1.349 43.478 42.059 0.117 0.000 1.271 436 L HN 0.376 nan 8.230 nan 0.000 0.443 437 L N 1.822 123.115 121.223 0.118 0.000 2.343 437 L HA 0.562 4.902 4.340 -0.000 0.000 0.275 437 L C -0.116 176.824 176.870 0.116 0.000 1.056 437 L CA -0.495 54.409 54.840 0.107 0.000 0.804 437 L CB 1.728 43.845 42.059 0.096 0.000 1.203 437 L HN 0.657 nan 8.230 nan 0.000 0.440 438 K N 1.471 121.932 120.400 0.101 0.000 2.443 438 K HA 0.747 5.067 4.320 -0.000 0.000 0.252 438 K C -0.823 175.818 176.600 0.067 0.000 0.933 438 K CA -0.293 56.054 56.287 0.100 0.000 0.792 438 K CB 2.427 34.993 32.500 0.110 0.000 1.185 438 K HN 0.837 nan 8.250 nan 0.000 0.425 439 G N 2.334 111.164 108.800 0.050 0.000 2.325 439 G HA2 0.130 4.090 3.960 -0.000 0.000 0.295 439 G HA3 0.130 4.090 3.960 -0.000 0.000 0.295 439 G C -1.568 173.328 174.900 -0.007 0.000 1.274 439 G CA -0.824 44.282 45.100 0.009 0.000 0.857 439 G HN 0.396 nan 8.290 nan 0.000 0.499 440 K N 0.477 120.852 120.400 -0.041 0.000 2.258 440 K HA 0.398 4.718 4.320 -0.000 0.000 0.264 440 K C -0.375 176.205 176.600 -0.034 0.000 1.007 440 K CA -0.053 56.203 56.287 -0.051 0.000 0.941 440 K CB 1.539 33.993 32.500 -0.077 0.000 0.966 440 K HN 0.455 nan 8.250 nan 0.000 0.480 441 K N 2.081 122.464 120.400 -0.028 0.000 2.371 441 K HA 0.341 4.661 4.320 -0.000 0.000 0.251 441 K C -0.031 176.551 176.600 -0.030 0.000 0.934 441 K CA -0.673 55.599 56.287 -0.026 0.000 0.798 441 K CB 1.416 33.905 32.500 -0.019 0.000 1.204 441 K HN 0.403 nan 8.250 nan 0.000 0.427 488 L N 1.559 122.752 121.223 -0.050 0.000 2.555 488 L HA 0.503 4.843 4.340 -0.000 0.000 0.264 488 L C -0.995 175.845 176.870 -0.051 0.000 0.972 488 L CA -1.098 53.706 54.840 -0.060 0.000 0.876 488 L CB 1.347 43.371 42.059 -0.059 0.000 1.216 488 L HN -0.005 nan 8.230 nan 0.000 0.415 489 V N 4.730 124.611 119.914 -0.056 0.000 2.655 489 V HA 0.385 4.505 4.120 -0.000 0.000 0.300 489 V C -1.636 174.433 176.094 -0.042 0.000 1.044 489 V CA -0.552 61.720 62.300 -0.048 0.000 1.095 489 V CB 0.562 32.354 31.823 -0.053 0.000 0.952 489 V HN 0.767 nan 8.190 nan 0.000 0.485 490 P HA -0.125 nan 4.420 nan 0.000 0.217 490 P C 1.446 178.730 177.300 -0.027 0.000 1.148 490 P CA 1.583 64.665 63.100 -0.029 0.000 0.828 490 P CB 0.267 31.952 31.700 -0.026 0.000 0.783 491 E N -0.593 119.590 120.200 -0.029 0.000 2.065 491 E HA -0.183 4.167 4.350 -0.000 0.000 0.201 491 E C 2.064 178.653 176.600 -0.018 0.000 1.016 491 E CA 1.172 57.557 56.400 -0.024 0.000 0.818 491 E CB -1.104 28.576 29.700 -0.033 0.000 0.749 491 E HN 0.194 nan 8.360 nan 0.000 0.453 492 L N -0.122 121.083 121.223 -0.029 0.000 1.961 492 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 492 L C 2.547 179.408 176.870 -0.015 0.000 1.075 492 L CA 1.509 56.335 54.840 -0.023 0.000 0.749 492 L CB -0.732 41.298 42.059 -0.048 0.000 0.890 492 L HN 0.203 nan 8.230 nan 0.000 0.433 493 S N -0.235 115.449 115.700 -0.027 0.000 2.407 493 S HA -0.253 4.217 4.470 -0.000 0.000 0.235 493 S C 1.478 176.068 174.600 -0.017 0.000 1.036 493 S CA 1.938 60.124 58.200 -0.024 0.000 1.013 493 S CB -0.409 62.772 63.200 -0.032 0.000 0.820 493 S HN 0.393 nan 8.310 nan 0.000 0.476 494 D N 0.369 120.760 120.400 -0.015 0.000 2.378 494 D HA 0.049 4.689 4.640 -0.000 0.000 0.222 494 D C 1.496 177.798 176.300 0.003 0.000 0.980 494 D CA 0.713 54.706 54.000 -0.013 0.000 0.907 494 D CB -0.163 40.629 40.800 -0.012 0.000 0.899 494 D HN 0.530 nan 8.370 nan 0.000 0.527 495 M N -0.156 119.454 119.600 0.016 0.000 2.492 495 M HA 0.057 4.537 4.480 -0.000 0.000 0.255 495 M C -0.007 176.327 176.300 0.056 0.000 1.139 495 M CA 0.097 55.420 55.300 0.039 0.000 1.096 495 M CB 0.887 33.515 32.600 0.047 0.000 1.360 495 M HN -0.198 nan 8.290 nan 0.000 0.480 496 I N 1.502 122.095 120.570 0.039 0.000 2.389 496 I HA 0.007 4.177 4.170 -0.000 0.000 0.295 496 I C 0.728 176.872 176.117 0.045 0.000 1.117 496 I CA 0.230 61.563 61.300 0.056 0.000 1.317 496 I CB -0.555 37.465 38.000 0.033 0.000 1.431 496 I HN 0.137 nan 8.210 nan 0.000 0.521 497 I N 5.822 126.457 120.570 0.109 0.000 3.098 497 I HA -0.051 4.119 4.170 -0.000 0.000 0.241 497 I C 1.517 177.635 176.117 0.002 0.000 1.081 497 I CA 1.140 62.473 61.300 0.055 0.000 1.487 497 I CB -0.779 37.347 38.000 0.211 0.000 1.366 497 I HN 0.382 nan 8.210 nan 0.000 0.463 498 Y N -0.306 120.074 120.300 0.133 0.000 2.457 498 Y HA 0.217 4.767 4.550 -0.000 0.000 0.263 498 Y C 0.614 176.658 175.900 0.240 0.000 1.164 498 Y CA -0.670 57.572 58.100 0.238 0.000 1.274 498 Y CB -0.183 38.441 38.460 0.273 0.000 1.097 498 Y HN 0.072 nan 8.280 nan 0.000 0.523 499 C N 1.472 120.948 119.300 0.293 0.000 3.188 499 C HA 0.289 4.749 4.460 -0.000 0.000 0.230 499 C C 0.174 175.261 174.990 0.161 0.000 1.239 499 C CA -1.548 57.606 59.018 0.228 0.000 1.494 499 C CB -1.012 26.850 27.740 0.204 0.000 1.798 499 C HN 0.220 nan 8.230 nan 0.000 0.458 500 K N 1.924 122.422 120.400 0.164 0.000 2.276 500 K HA 0.376 4.696 4.320 -0.000 0.000 0.285 500 K C 0.115 176.763 176.600 0.080 0.000 1.062 500 K CA 0.098 56.450 56.287 0.108 0.000 0.918 500 K CB 0.624 33.202 32.500 0.130 0.000 1.055 500 K HN 0.567 nan 8.250 nan 0.000 0.477 501 S N 2.112 117.833 115.700 0.035 0.000 2.560 501 S HA 0.179 4.649 4.470 -0.000 0.000 0.284 501 S C -0.285 174.284 174.600 -0.051 0.000 1.327 501 S CA -0.758 57.442 58.200 -0.001 0.000 1.055 501 S CB 1.210 64.385 63.200 -0.041 0.000 0.868 501 S HN 0.442 nan 8.310 nan 0.000 0.506 502 V N 2.402 122.281 119.914 -0.060 0.000 3.114 502 V HA 0.313 4.433 4.120 -0.000 0.000 0.308 502 V C -0.882 175.141 176.094 -0.118 0.000 1.168 502 V CA -0.950 61.295 62.300 -0.091 0.000 1.015 502 V CB 2.155 33.991 31.823 0.023 0.000 1.050 502 V HN 0.843 nan 8.190 nan 0.000 0.433 503 H N 1.950 121.033 119.070 0.021 0.000 2.525 503 H HA 0.297 4.853 4.556 -0.000 0.000 0.339 503 H C -0.269 175.079 175.328 0.034 0.000 1.109 503 H CA -0.444 55.609 56.048 0.009 0.000 1.352 503 H CB 1.008 30.764 29.762 -0.010 0.000 1.461 503 H HN 0.518 nan 8.280 nan 0.000 0.533 504 F N 2.860 122.799 119.950 -0.019 0.000 2.571 504 F HA 0.057 4.584 4.527 0.000 0.000 0.390 504 F C 1.090 176.878 175.800 -0.021 0.000 1.043 504 F CA -0.168 57.801 58.000 -0.052 0.000 1.164 504 F CB 0.068 38.985 39.000 -0.138 0.000 1.049 504 F HN 0.614 nan 8.300 nan 0.000 0.552 505 G N 3.787 112.234 108.800 -0.587 0.000 2.551 505 G HA2 0.429 4.389 3.960 -0.000 0.000 0.214 505 G HA3 0.429 4.389 3.960 -0.000 0.000 0.214 505 G C 0.438 174.560 174.900 -1.297 0.000 1.250 505 G CA 0.518 45.215 45.100 -0.673 0.000 0.825 505 G HN 1.287 nan 8.290 nan 0.000 0.549 506 G N -2.035 105.950 108.800 -1.359 0.000 2.313 506 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 -1.646 172.966 174.900 -0.480 0.000 1.356 506 G CA -0.994 43.414 45.100 -1.153 0.000 0.833 506 G HN 0.240 nan 8.290 nan 0.000 0.552 507 F N 1.597 121.580 119.950 0.056 0.000 2.391 507 F HA 0.499 5.026 4.527 -0.000 0.000 0.359 507 F C 1.340 177.121 175.800 -0.032 0.000 1.122 507 F CA -1.175 56.819 58.000 -0.010 0.000 1.120 507 F CB 1.790 40.830 39.000 0.066 0.000 1.142 507 F HN 0.393 nan 8.300 nan 0.000 0.483 508 S N 0.178 115.935 115.700 0.094 0.000 4.085 508 S HA 0.029 4.499 4.470 -0.000 0.000 0.189 508 S C 1.274 175.918 174.600 0.073 0.000 1.392 508 S CA 0.155 58.384 58.200 0.048 0.000 0.972 508 S CB -0.101 63.109 63.200 0.017 0.000 1.482 508 S HN 0.649 nan 8.310 nan 0.000 0.446 509 S N 2.451 118.206 115.700 0.093 0.000 2.421 509 S HA 0.207 4.677 4.470 -0.000 0.000 0.224 509 S C -1.372 173.261 174.600 0.055 0.000 1.035 509 S CA -0.028 58.222 58.200 0.083 0.000 0.953 509 S CB -0.918 62.341 63.200 0.099 0.000 0.810 509 S HN 0.531 nan 8.310 nan 0.000 0.497 510 P HA 0.339 nan 4.420 nan 0.000 0.254 510 P C 0.115 177.424 177.300 0.014 0.000 1.631 510 P CA 0.265 63.379 63.100 0.023 0.000 0.861 510 P CB 0.015 31.721 31.700 0.010 0.000 1.663 511 G N -1.343 107.470 108.800 0.022 0.000 2.364 511 G HA2 0.232 4.192 3.960 -0.000 0.000 0.286 511 G HA3 0.232 4.192 3.960 -0.000 0.000 0.286 511 G C 0.433 175.351 174.900 0.029 0.000 1.241 511 G CA 0.218 45.328 45.100 0.017 0.000 0.887 511 G HN 0.026 nan 8.290 nan 0.000 0.484 512 T N -2.674 111.897 114.554 0.028 0.000 3.087 512 T HA 0.466 4.816 4.350 -0.000 0.000 0.237 512 T C 1.333 176.059 174.700 0.043 0.000 0.990 512 T CA 1.486 63.609 62.100 0.039 0.000 1.160 512 T CB -0.122 68.769 68.868 0.037 0.000 0.923 512 T HN 1.644 nan 8.240 nan 0.000 0.442 513 S N -0.543 115.175 115.700 0.030 0.000 2.671 513 S HA 0.830 5.300 4.470 -0.000 0.000 0.299 513 S C 0.243 174.843 174.600 0.000 0.000 1.116 513 S CA -0.055 58.160 58.200 0.025 0.000 0.912 513 S CB 1.719 64.934 63.200 0.025 0.000 1.130 513 S HN 0.709 nan 8.310 nan 0.000 0.501 514 G N 0.358 109.151 108.800 -0.011 0.000 3.226 514 G HA2 0.300 4.260 3.960 -0.000 0.000 0.175 514 G HA3 0.300 4.260 3.960 -0.000 0.000 0.175 514 G C -1.077 173.799 174.900 -0.040 0.000 1.509 514 G CA -0.495 44.582 45.100 -0.039 0.000 1.046 514 G HN 0.759 nan 8.290 nan 0.000 0.768 515 Q N 0.942 120.734 119.800 -0.014 0.000 2.314 515 Q HA 0.578 4.918 4.340 -0.000 0.000 0.258 515 Q C -0.043 175.899 176.000 -0.097 0.000 0.954 515 Q CA -0.290 55.508 55.803 -0.008 0.000 0.890 515 Q CB 1.788 30.616 28.738 0.150 0.000 1.210 515 Q HN 0.529 nan 8.270 nan 0.000 0.410 516 A N 2.008 124.627 122.820 -0.336 0.000 2.386 516 A HA 0.186 4.506 4.320 -0.000 0.000 0.248 516 A C 0.606 177.839 177.584 -0.585 0.000 1.082 516 A CA -0.462 51.147 52.037 -0.714 0.000 0.789 516 A CB -0.125 17.842 19.000 -1.721 0.000 1.025 516 A HN 0.845 nan 8.150 nan 0.000 0.490 517 F N 0.598 120.398 119.950 -0.250 0.000 2.236 517 F HA -0.235 4.292 4.527 -0.000 0.000 0.302 517 F C 1.246 177.068 175.800 0.038 0.000 1.073 517 F CA 1.486 59.481 58.000 -0.008 0.000 1.336 517 F CB -1.188 37.872 39.000 0.101 0.000 1.040 517 F HN 0.604 nan 8.300 nan 0.000 0.507 518 Y N 0.038 120.074 120.300 -0.440 0.000 2.470 518 Y HA 0.504 5.054 4.550 -0.000 0.000 0.284 518 Y C -0.317 175.559 175.900 -0.040 0.000 1.188 518 Y CA -1.658 56.340 58.100 -0.170 0.000 1.269 518 Y CB -1.469 36.700 38.460 -0.484 0.000 1.094 518 Y HN 0.163 nan 8.280 nan 0.000 0.518 519 E N 1.702 121.795 120.200 -0.178 0.000 2.202 519 E HA 0.510 4.860 4.350 -0.000 0.000 0.272 519 E C -1.220 175.462 176.600 0.137 0.000 0.951 519 E CA -0.946 55.464 56.400 0.017 0.000 0.813 519 E CB 2.273 31.927 29.700 -0.076 0.000 1.151 519 E HN 0.311 nan 8.360 nan 0.000 0.398 520 M N 1.950 121.646 119.600 0.160 0.000 2.326 520 M HA 0.596 5.076 4.480 -0.000 0.000 0.306 520 M C -1.730 174.681 176.300 0.185 0.000 1.054 520 M CA -0.485 54.937 55.300 0.202 0.000 0.922 520 M CB 1.668 34.386 32.600 0.196 0.000 1.632 520 M HN 0.681 nan 8.290 nan 0.000 0.436 521 A N 2.785 125.756 122.820 0.251 0.000 2.337 521 A HA 0.907 5.227 4.320 -0.000 0.000 0.331 521 A C -0.952 176.700 177.584 0.113 0.000 1.137 521 A CA -0.569 51.549 52.037 0.134 0.000 0.807 521 A CB 1.550 20.654 19.000 0.174 0.000 1.250 521 A HN 0.777 nan 8.150 nan 0.000 0.468 522 S N -0.530 115.121 115.700 -0.081 0.000 2.600 522 S HA 0.887 5.357 4.470 -0.000 0.000 0.300 522 S C -1.406 173.124 174.600 -0.116 0.000 1.087 522 S CA -0.192 58.106 58.200 0.163 0.000 0.965 522 S CB 0.893 64.271 63.200 0.298 0.000 1.089 522 S HN 0.471 nan 8.310 nan 0.000 0.496 523 F N 0.823 120.897 119.950 0.206 0.000 2.596 523 F HA 0.455 4.982 4.527 -0.000 0.000 0.311 523 F C 0.514 176.021 175.800 -0.488 0.000 1.116 523 F CA -0.891 57.104 58.000 -0.010 0.000 0.957 523 F CB 1.516 40.525 39.000 0.015 0.000 1.250 523 F HN 0.580 nan 8.300 nan 0.000 0.444 524 S N 0.824 116.249 115.700 -0.458 0.000 2.624 524 S HA 0.183 4.653 4.470 -0.000 0.000 0.263 524 S C 1.199 175.507 174.600 -0.486 0.000 1.287 524 S CA -0.031 57.604 58.200 -0.942 0.000 0.990 524 S CB 1.246 64.176 63.200 -0.451 0.000 0.950 524 S HN 0.875 nan 8.310 nan 0.000 0.561 525 E N 1.260 121.108 120.200 -0.586 0.000 2.045 525 E HA -0.252 4.098 4.350 -0.000 0.000 0.212 525 E C 2.068 178.508 176.600 -0.266 0.000 1.039 525 E CA 2.366 58.435 56.400 -0.551 0.000 0.860 525 E CB -0.582 28.781 29.700 -0.562 0.000 0.776 525 E HN 0.844 nan 8.360 nan 0.000 0.467 526 S N 0.653 116.260 115.700 -0.154 0.000 2.369 526 S HA -0.304 4.166 4.470 -0.000 0.000 0.225 526 S C 2.026 176.614 174.600 -0.020 0.000 1.043 526 S CA 1.680 59.854 58.200 -0.044 0.000 1.074 526 S CB -0.666 62.542 63.200 0.013 0.000 0.962 526 S HN 0.318 nan 8.310 nan 0.000 0.433 527 R N 1.874 122.372 120.500 -0.003 0.000 2.091 527 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 527 R C 2.457 178.793 176.300 0.060 0.000 1.136 527 R CA 1.372 57.510 56.100 0.063 0.000 0.959 527 R CB -0.757 29.629 30.300 0.143 0.000 0.856 527 R HN 0.436 nan 8.270 nan 0.000 0.437 528 A N 1.013 123.849 122.820 0.027 0.000 1.908 528 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 528 A C 2.201 179.806 177.584 0.034 0.000 1.181 528 A CA 1.513 53.566 52.037 0.026 0.000 0.627 528 A CB -0.628 18.326 19.000 -0.076 0.000 0.818 528 A HN 0.369 nan 8.150 nan 0.000 0.445 529 L N -1.182 120.027 121.223 -0.023 0.000 1.989 529 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 529 L C 2.773 179.654 176.870 0.019 0.000 1.071 529 L CA 2.018 56.850 54.840 -0.013 0.000 0.749 529 L CB -0.573 41.470 42.059 -0.027 0.000 0.890 529 L HN 0.513 nan 8.230 nan 0.000 0.431 530 R N 0.691 121.204 120.500 0.021 0.000 2.115 530 R HA -0.226 4.114 4.340 -0.000 0.000 0.239 530 R C 2.296 178.621 176.300 0.041 0.000 1.133 530 R CA 1.894 58.011 56.100 0.029 0.000 0.935 530 R CB -0.544 29.776 30.300 0.033 0.000 0.853 530 R HN 0.192 nan 8.270 nan 0.000 0.433 531 L N 0.499 121.748 121.223 0.043 0.000 2.187 531 L HA -0.164 4.176 4.340 -0.000 0.000 0.213 531 L C 2.313 179.258 176.870 0.126 0.000 1.100 531 L CA 1.081 55.945 54.840 0.039 0.000 0.765 531 L CB -0.253 41.719 42.059 -0.144 0.000 0.904 531 L HN 0.293 nan 8.230 nan 0.000 0.437 532 L N -1.184 120.125 121.223 0.143 0.000 2.179 532 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 532 L C 2.587 179.484 176.870 0.045 0.000 1.096 532 L CA 0.586 55.499 54.840 0.122 0.000 0.779 532 L CB -0.256 41.832 42.059 0.048 0.000 0.922 532 L HN 0.278 nan 8.230 nan 0.000 0.443 533 Q N 0.670 120.489 119.800 0.032 0.000 2.123 533 Q HA -0.183 4.157 4.340 -0.000 0.000 0.199 533 Q C 1.762 177.770 176.000 0.014 0.000 0.966 533 Q CA 1.693 57.502 55.803 0.010 0.000 0.845 533 Q CB 0.176 28.919 28.738 0.008 0.000 0.907 533 Q HN 0.495 nan 8.270 nan 0.000 0.439 534 E N -1.210 119.010 120.200 0.034 0.000 2.251 534 E HA 0.158 4.508 4.350 -0.000 0.000 0.194 534 E C 0.096 176.729 176.600 0.055 0.000 0.964 534 E CA 0.703 57.125 56.400 0.036 0.000 0.868 534 E CB 0.745 30.467 29.700 0.038 0.000 0.828 534 E HN 0.083 nan 8.360 nan 0.000 0.481 535 S N 0.388 116.143 115.700 0.092 0.000 2.617 535 S HA 0.241 4.711 4.470 -0.000 0.000 0.237 535 S C 1.046 175.725 174.600 0.132 0.000 1.142 535 S CA -0.181 58.102 58.200 0.138 0.000 1.167 535 S CB 1.065 64.417 63.200 0.254 0.000 1.068 535 S HN 0.330 nan 8.310 nan 0.000 0.470 536 G N 3.480 112.316 108.800 0.060 0.000 2.631 536 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 536 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 536 G C 1.422 176.323 174.900 0.001 0.000 1.214 536 G CA 1.170 46.278 45.100 0.013 0.000 0.785 536 G HN 0.561 nan 8.290 nan 0.000 0.596 537 N N 1.547 120.232 118.700 -0.025 0.000 2.272 537 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 537 N C 2.296 177.826 175.510 0.034 0.000 1.014 537 N CA 1.498 54.542 53.050 -0.010 0.000 0.870 537 N CB -0.420 38.056 38.487 -0.018 0.000 0.975 537 N HN 0.318 nan 8.380 nan 0.000 0.433 538 G N 0.394 109.239 108.800 0.075 0.000 2.464 538 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.214 538 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.214 538 G C 1.324 176.066 174.900 -0.262 0.000 1.218 538 G CA 0.198 45.359 45.100 0.102 0.000 0.794 538 G HN 0.218 nan 8.290 nan 0.000 0.542 539 F N 1.326 120.890 119.950 -0.643 0.000 2.063 539 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 539 F C 2.965 178.505 175.800 -0.432 0.000 1.109 539 F CA 1.049 58.530 58.000 -0.865 0.000 1.212 539 F CB -0.784 37.919 39.000 -0.494 0.000 0.973 539 F HN -0.005 nan 8.300 nan 0.000 0.480 540 V N 0.233 120.141 119.914 -0.009 0.000 2.233 540 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 540 V C 2.578 178.674 176.094 0.004 0.000 1.050 540 V CA 2.304 64.593 62.300 -0.017 0.000 1.010 540 V CB -0.647 31.207 31.823 0.053 0.000 0.637 540 V HN 0.242 nan 8.190 nan 0.000 0.444 541 R N -1.163 119.356 120.500 0.032 0.000 2.105 541 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 541 R C 2.320 178.689 176.300 0.115 0.000 1.135 541 R CA 1.925 58.065 56.100 0.067 0.000 0.967 541 R CB -0.594 29.754 30.300 0.080 0.000 0.861 541 R HN 0.759 nan 8.270 nan 0.000 0.442 542 H N 0.488 119.517 119.070 -0.067 0.000 2.270 542 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 542 H C 1.434 176.795 175.328 0.056 0.000 1.077 542 H CA 1.262 57.300 56.048 -0.015 0.000 1.294 542 H CB 0.131 29.732 29.762 -0.269 0.000 1.371 542 H HN 0.094 nan 8.280 nan 0.000 0.491 543 N N 0.650 119.348 118.700 -0.004 0.000 2.588 543 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 543 N C 1.717 177.222 175.510 -0.008 0.000 1.094 543 N CA 0.550 53.541 53.050 -0.097 0.000 0.921 543 N CB -0.012 38.366 38.487 -0.181 0.000 0.959 543 N HN 0.250 nan 8.380 nan 0.000 0.448 544 V N -0.063 119.871 119.914 0.034 0.000 2.548 544 V HA -0.101 4.019 4.120 -0.000 0.000 0.249 544 V C 1.573 177.725 176.094 0.097 0.000 1.055 544 V CA 1.869 64.163 62.300 -0.011 0.000 1.065 544 V CB -0.156 31.665 31.823 -0.003 0.000 0.681 544 V HN 0.389 nan 8.190 nan 0.000 0.462 545 S N -3.817 111.996 115.700 0.188 0.000 2.787 545 S HA 0.253 4.723 4.470 -0.000 0.000 0.255 545 S C 0.093 174.864 174.600 0.286 0.000 1.051 545 S CA -0.492 57.860 58.200 0.254 0.000 1.124 545 S CB 0.046 63.392 63.200 0.243 0.000 1.104 545 S HN 0.361 nan 8.310 nan 0.000 0.623 546 C N 1.762 121.219 119.300 0.261 0.000 2.614 546 C HA 0.664 5.124 4.460 -0.000 0.000 0.320 546 C C -0.245 174.843 174.990 0.164 0.000 1.200 546 C CA -0.976 58.202 59.018 0.266 0.000 1.700 546 C CB 1.260 29.243 27.740 0.405 0.000 2.275 546 C HN 0.549 nan 8.230 nan 0.000 0.492 547 L N 2.499 123.844 121.223 0.203 0.000 2.289 547 L HA 0.468 4.808 4.340 -0.000 0.000 0.285 547 L C 0.076 177.056 176.870 0.184 0.000 1.049 547 L CA 0.354 55.303 54.840 0.181 0.000 0.804 547 L CB 1.256 43.447 42.059 0.220 0.000 1.195 547 L HN 0.704 nan 8.230 nan 0.000 0.428 548 S N 2.788 118.580 115.700 0.153 0.000 2.537 548 S HA 0.636 5.106 4.470 -0.000 0.000 0.301 548 S C -0.546 174.218 174.600 0.273 0.000 1.092 548 S CA -0.754 57.608 58.200 0.269 0.000 1.048 548 S CB 2.145 65.456 63.200 0.185 0.000 1.053 548 S HN 0.553 nan 8.310 nan 0.000 0.501 549 R N 1.903 122.629 120.500 0.375 0.000 2.599 549 R HA 0.629 4.969 4.340 -0.000 0.000 0.295 549 R C -1.481 175.059 176.300 0.400 0.000 0.963 549 R CA -0.533 55.765 56.100 0.330 0.000 0.883 549 R CB 0.476 30.957 30.300 0.302 0.000 1.171 549 R HN 0.460 nan 8.270 nan 0.000 0.450 550 I N 4.451 125.200 120.570 0.298 0.000 2.740 550 I HA 0.479 4.649 4.170 -0.000 0.000 0.303 550 I C -0.752 175.480 176.117 0.192 0.000 1.044 550 I CA -1.186 60.211 61.300 0.162 0.000 1.064 550 I CB 1.401 39.423 38.000 0.035 0.000 1.249 550 I HN 0.724 nan 8.210 nan 0.000 0.433 551 Y N 2.640 122.950 120.300 0.016 0.000 2.544 551 Y HA 0.736 5.286 4.550 -0.000 0.000 0.342 551 Y C -3.046 172.715 175.900 -0.232 0.000 1.062 551 Y CA -3.001 55.060 58.100 -0.065 0.000 1.023 551 Y CB 0.917 39.360 38.460 -0.029 0.000 1.308 551 Y HN 0.350 nan 8.280 nan 0.000 0.457 552 P HA 0.037 nan 4.420 nan 0.000 0.264 552 P C -0.034 177.119 177.300 -0.245 0.000 1.179 552 P CA 0.567 63.550 63.100 -0.195 0.000 0.763 552 P CB 0.506 32.072 31.700 -0.222 0.000 0.806 553 A N 3.390 125.999 122.820 -0.352 0.000 2.531 553 A HA 0.319 4.639 4.320 -0.000 0.000 0.236 553 A C 1.988 179.399 177.584 -0.288 0.000 1.062 553 A CA 0.394 52.257 52.037 -0.290 0.000 0.760 553 A CB -0.799 18.031 19.000 -0.282 0.000 0.995 553 A HN 0.685 nan 8.150 nan 0.000 0.501 554 G N 1.637 110.424 108.800 -0.022 0.000 2.475 554 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 554 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 554 G C 1.230 176.170 174.900 0.067 0.000 1.125 554 G CA 1.249 46.396 45.100 0.078 0.000 0.755 554 G HN 1.044 nan 8.290 nan 0.000 0.565 555 W N 0.677 122.011 121.300 0.058 0.000 2.699 555 W HA 0.214 4.874 4.660 -0.000 0.000 0.249 555 W C 0.715 177.262 176.519 0.047 0.000 1.280 555 W CA -0.150 57.222 57.345 0.045 0.000 1.345 555 W CB -0.353 29.123 29.460 0.025 0.000 1.128 555 W HN 0.084 nan 8.180 nan 0.000 0.642 556 R N 2.457 122.588 120.500 -0.614 0.000 4.902 556 R HA 0.004 4.344 4.340 -0.000 0.000 0.201 556 R C 1.755 177.963 176.300 -0.154 0.000 2.020 556 R CA 0.820 56.590 56.100 -0.551 0.000 1.674 556 R CB -0.559 29.307 30.300 -0.723 0.000 1.349 556 R HN 0.128 nan 8.270 nan 0.000 0.813 557 T N -2.685 111.868 114.554 -0.002 0.000 3.139 557 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 557 T C 0.930 175.647 174.700 0.029 0.000 1.164 557 T CA 1.011 63.140 62.100 0.048 0.000 1.075 557 T CB -0.091 68.830 68.868 0.088 0.000 0.904 557 T HN 0.342 nan 8.240 nan 0.000 0.540 558 D N -0.207 120.196 120.400 0.005 0.000 2.363 558 D HA 0.190 4.830 4.640 -0.000 0.000 0.214 558 D C 0.635 176.916 176.300 -0.032 0.000 1.093 558 D CA -0.081 53.921 54.000 0.003 0.000 0.837 558 D CB -0.352 40.464 40.800 0.027 0.000 0.948 558 D HN 0.298 nan 8.370 nan 0.000 0.507 559 S N -0.821 114.845 115.700 -0.056 0.000 3.382 559 S HA -0.218 4.252 4.470 -0.000 0.000 0.293 559 S C 0.560 175.105 174.600 -0.091 0.000 1.262 559 S CA 0.702 58.863 58.200 -0.065 0.000 0.969 559 S CB -2.421 60.745 63.200 -0.055 0.000 1.136 559 S HN 0.769 nan 8.310 nan 0.000 0.635 560 S N 1.586 117.220 115.700 -0.110 0.000 2.580 560 S HA 0.479 4.949 4.470 -0.000 0.000 0.266 560 S C 0.057 174.563 174.600 -0.156 0.000 1.354 560 S CA -0.444 57.688 58.200 -0.113 0.000 1.008 560 S CB 0.585 63.728 63.200 -0.096 0.000 0.898 560 S HN 0.417 nan 8.310 nan 0.000 0.555 561 N N 0.212 118.820 118.700 -0.153 0.000 2.381 561 N HA 0.459 5.199 4.740 -0.000 0.000 0.294 561 N C -0.951 174.469 175.510 -0.150 0.000 1.216 561 N CA -0.483 52.436 53.050 -0.219 0.000 0.803 561 N CB 1.512 39.796 38.487 -0.339 0.000 1.372 561 N HN 0.825 nan 8.380 nan 0.000 0.500 562 Y N -1.308 118.890 120.300 -0.170 0.000 2.565 562 Y HA 0.589 5.139 4.550 -0.000 0.000 0.325 562 Y C 0.712 176.529 175.900 -0.138 0.000 1.221 562 Y CA -1.228 56.796 58.100 -0.127 0.000 1.316 562 Y CB 0.110 38.487 38.460 -0.137 0.000 1.404 562 Y HN 0.344 nan 8.280 nan 0.000 0.527 563 S N 1.870 117.595 115.700 0.042 0.000 2.513 563 S HA 0.319 4.788 4.470 -0.000 0.000 0.276 563 S C -1.799 172.695 174.600 -0.176 0.000 1.254 563 S CA -1.385 56.747 58.200 -0.114 0.000 1.053 563 S CB 0.885 64.070 63.200 -0.025 0.000 0.958 563 S HN 0.652 nan 8.310 nan 0.000 0.491 564 P HA -0.001 nan 4.420 nan 0.000 0.221 564 P C 1.647 178.372 177.300 -0.958 0.000 1.155 564 P CA 0.417 63.043 63.100 -0.790 0.000 0.812 564 P CB -0.145 30.842 31.700 -1.188 0.000 0.801 565 V N 1.786 121.316 119.914 -0.640 0.000 2.250 565 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 565 V C 2.636 178.686 176.094 -0.073 0.000 1.060 565 V CA 2.065 64.256 62.300 -0.182 0.000 1.030 565 V CB -1.278 30.560 31.823 0.026 0.000 0.643 565 V HN 0.173 nan 8.190 nan 0.000 0.445 566 E N -0.518 119.632 120.200 -0.083 0.000 2.114 566 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 566 E C 2.168 178.720 176.600 -0.079 0.000 1.008 566 E CA 1.751 58.122 56.400 -0.048 0.000 0.810 566 E CB -0.216 29.460 29.700 -0.041 0.000 0.739 566 E HN 0.523 nan 8.360 nan 0.000 0.456 567 M N -1.020 118.494 119.600 -0.143 0.000 2.287 567 M HA -0.073 4.407 4.480 -0.000 0.000 0.266 567 M C 1.977 178.234 176.300 -0.072 0.000 1.079 567 M CA 0.823 56.023 55.300 -0.167 0.000 1.146 567 M CB -0.938 31.566 32.600 -0.160 0.000 1.374 567 M HN 0.205 nan 8.290 nan 0.000 0.435 568 W N 2.192 123.455 121.300 -0.061 0.000 2.363 568 W HA -0.110 4.550 4.660 -0.000 0.000 0.296 568 W C 1.896 178.361 176.519 -0.090 0.000 1.212 568 W CA 0.857 58.149 57.345 -0.088 0.000 1.260 568 W CB -1.653 27.753 29.460 -0.090 0.000 1.131 568 W HN 0.360 nan 8.180 nan 0.000 0.530 569 N N -0.510 118.295 118.700 0.174 0.000 2.430 569 N HA -0.090 4.650 4.740 -0.000 0.000 0.186 569 N C 1.799 177.385 175.510 0.127 0.000 1.032 569 N CA 1.557 54.703 53.050 0.161 0.000 0.893 569 N CB -0.762 37.805 38.487 0.134 0.000 0.957 569 N HN 0.161 nan 8.380 nan 0.000 0.442 570 G N -1.584 107.197 108.800 -0.032 0.000 3.277 570 G HA2 0.373 4.333 3.960 -0.000 0.000 0.243 570 G HA3 0.373 4.333 3.960 -0.000 0.000 0.243 570 G C 0.931 175.690 174.900 -0.235 0.000 1.107 570 G CA 0.201 45.201 45.100 -0.167 0.000 0.771 570 G HN 0.357 nan 8.290 nan 0.000 0.544 571 G N -0.802 107.926 108.800 -0.120 0.000 2.179 571 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 571 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 571 G C 0.563 175.367 174.900 -0.159 0.000 0.977 571 G CA 0.128 45.147 45.100 -0.135 0.000 0.641 571 G HN 0.608 nan 8.290 nan 0.000 0.533 572 C N 2.127 121.294 119.300 -0.222 0.000 2.634 572 C HA 0.399 4.859 4.460 -0.000 0.000 0.418 572 C C 1.855 176.894 174.990 0.082 0.000 1.373 572 C CA 0.490 59.402 59.018 -0.178 0.000 1.756 572 C CB 1.031 28.607 27.740 -0.273 0.000 2.589 572 C HN 0.670 nan 8.230 nan 0.000 0.602 573 Q N 2.583 122.445 119.800 0.103 0.000 2.394 573 Q HA 0.167 4.507 4.340 -0.000 0.000 0.218 573 Q C 0.500 176.655 176.000 0.258 0.000 0.907 573 Q CA 1.153 57.072 55.803 0.193 0.000 0.919 573 Q CB 0.014 28.846 28.738 0.156 0.000 1.051 573 Q HN 0.844 nan 8.270 nan 0.000 0.538 574 I N 3.112 123.818 120.570 0.226 0.000 2.541 574 I HA 0.167 4.337 4.170 -0.000 0.000 0.295 574 I C -0.537 175.745 176.117 0.276 0.000 1.137 574 I CA -0.637 60.804 61.300 0.235 0.000 1.256 574 I CB 0.984 39.102 38.000 0.195 0.000 1.648 574 I HN -0.207 nan 8.210 nan 0.000 0.570 575 V N 3.798 123.931 119.914 0.365 0.000 2.364 575 V HA 0.200 4.320 4.120 -0.000 0.000 0.252 575 V C 1.088 177.377 176.094 0.324 0.000 1.075 575 V CA -0.371 62.138 62.300 0.349 0.000 1.033 575 V CB 0.200 32.230 31.823 0.344 0.000 1.116 575 V HN 0.631 nan 8.190 nan 0.000 0.488 576 A N 7.353 130.325 122.820 0.253 0.000 2.409 576 A HA 0.686 5.006 4.320 -0.000 0.000 0.267 576 A C -0.271 177.334 177.584 0.034 0.000 1.127 576 A CA -0.137 51.997 52.037 0.161 0.000 0.795 576 A CB 0.159 19.295 19.000 0.226 0.000 1.061 576 A HN 0.771 nan 8.150 nan 0.000 0.502 577 L N 1.942 123.105 121.223 -0.100 0.000 2.301 577 L HA 0.381 4.721 4.340 -0.000 0.000 0.264 577 L C -0.257 176.614 176.870 0.003 0.000 1.016 577 L CA -1.171 53.540 54.840 -0.214 0.000 0.821 577 L CB 1.687 43.426 42.059 -0.533 0.000 1.346 577 L HN 0.610 nan 8.230 nan 0.000 0.429 578 N N 1.502 120.178 118.700 -0.041 0.000 2.671 578 N HA 0.048 4.788 4.740 -0.000 0.000 0.274 578 N C 0.664 176.187 175.510 0.022 0.000 1.188 578 N CA 0.041 53.099 53.050 0.013 0.000 1.065 578 N CB 0.184 38.655 38.487 -0.026 0.000 1.415 578 N HN 0.440 nan 8.380 nan 0.000 0.511 579 F N 1.356 121.185 119.950 -0.201 0.000 2.380 579 F HA -0.195 4.332 4.527 0.000 0.000 0.299 579 F C 2.421 178.137 175.800 -0.140 0.000 1.064 579 F CA 1.094 58.989 58.000 -0.175 0.000 1.432 579 F CB -0.021 38.882 39.000 -0.163 0.000 1.089 579 F HN 0.502 nan 8.300 nan 0.000 0.562 580 Q N -0.823 118.985 119.800 0.013 0.000 2.403 580 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 580 Q C -0.060 175.903 176.000 -0.062 0.000 0.932 580 Q CA 0.577 56.361 55.803 -0.031 0.000 0.945 580 Q CB -0.512 28.197 28.738 -0.048 0.000 1.045 580 Q HN 0.178 nan 8.270 nan 0.000 0.511 581 T N 4.524 119.025 114.554 -0.088 0.000 2.801 581 T HA 0.429 4.779 4.350 -0.000 0.000 0.306 581 T C -2.589 172.030 174.700 -0.134 0.000 1.020 581 T CA -1.370 60.669 62.100 -0.102 0.000 0.948 581 T CB 1.576 70.383 68.868 -0.100 0.000 0.962 581 T HN 0.122 nan 8.240 nan 0.000 0.465 582 P HA 0.464 nan 4.420 nan 0.000 0.266 582 P C 0.198 177.391 177.300 -0.178 0.000 1.195 582 P CA 0.381 63.383 63.100 -0.164 0.000 0.768 582 P CB 0.582 32.183 31.700 -0.165 0.000 0.838 583 G N 2.615 111.294 108.800 -0.202 0.000 2.347 583 G HA2 0.158 4.118 3.960 -0.000 0.000 0.303 583 G HA3 0.158 4.118 3.960 -0.000 0.000 0.303 583 G C -2.763 172.056 174.900 -0.135 0.000 1.481 583 G CA -0.850 44.145 45.100 -0.174 0.000 0.914 583 G HN 0.116 nan 8.290 nan 0.000 0.638 584 P HA -0.086 nan 4.420 nan 0.000 0.217 584 P C 1.389 178.642 177.300 -0.078 0.000 1.148 584 P CA 1.583 64.660 63.100 -0.038 0.000 0.834 584 P CB 0.301 32.012 31.700 0.019 0.000 0.783 585 E N -1.485 118.652 120.200 -0.106 0.000 2.072 585 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 585 E C 1.982 178.500 176.600 -0.136 0.000 0.985 585 E CA 1.178 57.487 56.400 -0.152 0.000 0.801 585 E CB -0.737 28.834 29.700 -0.215 0.000 0.750 585 E HN 0.133 nan 8.360 nan 0.000 0.452 586 M N 0.704 120.209 119.600 -0.158 0.000 2.254 586 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 586 M C 1.113 177.386 176.300 -0.046 0.000 1.066 586 M CA 1.135 56.338 55.300 -0.162 0.000 1.123 586 M CB -0.595 31.855 32.600 -0.251 0.000 1.388 586 M HN 0.033 nan 8.290 nan 0.000 0.425 587 D N 0.128 120.501 120.400 -0.046 0.000 2.092 587 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 587 D C 2.215 178.535 176.300 0.034 0.000 0.994 587 D CA 1.246 55.250 54.000 0.007 0.000 0.828 587 D CB -0.303 40.508 40.800 0.018 0.000 0.963 587 D HN 0.127 nan 8.370 nan 0.000 0.450 588 V N 0.303 120.208 119.914 -0.014 0.000 2.343 588 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 588 V C 2.153 178.361 176.094 0.189 0.000 1.051 588 V CA 1.330 63.631 62.300 0.001 0.000 1.036 588 V CB -0.585 31.152 31.823 -0.144 0.000 0.654 588 V HN 0.176 nan 8.190 nan 0.000 0.451 589 Y N 0.312 120.667 120.300 0.091 0.000 2.070 589 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 589 Y C 2.280 178.347 175.900 0.279 0.000 1.148 589 Y CA 1.887 60.157 58.100 0.284 0.000 1.125 589 Y CB -0.195 38.324 38.460 0.098 0.000 0.975 589 Y HN 0.105 nan 8.280 nan 0.000 0.492 590 L N -1.102 120.292 121.223 0.284 0.000 2.291 590 L HA -0.118 4.222 4.340 -0.000 0.000 0.214 590 L C 2.514 179.471 176.870 0.145 0.000 1.120 590 L CA 0.935 55.895 54.840 0.200 0.000 0.799 590 L CB -1.109 41.002 42.059 0.086 0.000 0.925 590 L HN 0.391 nan 8.230 nan 0.000 0.446 591 G N -0.594 108.282 108.800 0.127 0.000 2.404 591 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 591 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 591 G C 1.834 176.804 174.900 0.115 0.000 1.174 591 G CA 0.735 45.928 45.100 0.155 0.000 0.780 591 G HN 0.447 nan 8.290 nan 0.000 0.537 592 C N 0.237 119.505 119.300 -0.053 0.000 2.393 592 C HA -0.061 4.399 4.460 -0.000 0.000 0.276 592 C C 2.513 177.238 174.990 -0.441 0.000 1.215 592 C CA 1.056 59.838 59.018 -0.394 0.000 1.743 592 C CB -1.258 25.945 27.740 -0.894 0.000 2.044 592 C HN 0.340 nan 8.230 nan 0.000 0.464 593 F N 0.923 120.795 119.950 -0.131 0.000 2.802 593 F HA 0.088 4.615 4.527 -0.000 0.000 0.300 593 F C 2.273 178.076 175.800 0.005 0.000 1.168 593 F CA 1.119 59.063 58.000 -0.094 0.000 1.433 593 F CB -0.716 38.222 39.000 -0.104 0.000 1.115 593 F HN 0.363 nan 8.300 nan 0.000 0.582 594 Q N 0.710 120.613 119.800 0.172 0.000 2.224 594 Q HA -0.116 4.224 4.340 -0.000 0.000 0.203 594 Q C 0.774 176.900 176.000 0.211 0.000 0.970 594 Q CA 0.782 56.639 55.803 0.090 0.000 0.865 594 Q CB -0.308 28.339 28.738 -0.152 0.000 0.922 594 Q HN 0.196 nan 8.270 nan 0.000 0.445 595 D N 0.378 120.980 120.400 0.337 0.000 2.346 595 D HA -0.103 4.537 4.640 -0.000 0.000 0.236 595 D C -0.051 176.361 176.300 0.186 0.000 1.259 595 D CA 0.548 54.743 54.000 0.325 0.000 0.898 595 D CB 0.266 41.124 40.800 0.097 0.000 1.178 595 D HN 0.335 nan 8.370 nan 0.000 0.457 596 N N 0.333 119.125 118.700 0.152 0.000 2.714 596 N HA -0.205 4.535 4.740 -0.000 0.000 0.252 596 N C 0.571 176.144 175.510 0.104 0.000 1.014 596 N CA 1.742 54.753 53.050 -0.064 0.000 0.735 596 N CB -1.308 37.025 38.487 -0.257 0.000 0.924 596 N HN 0.703 nan 8.380 nan 0.000 0.540 597 G N -0.947 107.979 108.800 0.210 0.000 2.258 597 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.274 597 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.274 597 G C 1.282 176.267 174.900 0.143 0.000 1.021 597 G CA 1.036 46.240 45.100 0.173 0.000 0.798 597 G HN 1.804 nan 8.290 nan 0.000 0.507 598 G N -1.605 107.282 108.800 0.145 0.000 2.379 598 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.297 598 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.297 598 G C 1.835 176.828 174.900 0.156 0.000 1.004 598 G CA 1.601 46.789 45.100 0.147 0.000 0.921 598 G HN 2.288 nan 8.290 nan 0.000 0.511 599 C N -2.342 117.066 119.300 0.180 0.000 2.472 599 C HA 0.521 4.981 4.460 -0.000 0.000 0.278 599 C C 2.436 177.573 174.990 0.245 0.000 1.447 599 C CA 0.703 59.876 59.018 0.258 0.000 1.773 599 C CB -0.858 27.089 27.740 0.344 0.000 1.793 599 C HN 2.293 nan 8.230 nan 0.000 0.544 600 G N -1.224 107.652 108.800 0.127 0.000 2.213 600 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.226 600 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.226 600 G C -0.363 174.396 174.900 -0.236 0.000 0.992 600 G CA 0.333 45.362 45.100 -0.118 0.000 0.632 600 G HN 0.618 nan 8.290 nan 0.000 0.511 601 Y N -0.210 120.070 120.300 -0.033 0.000 2.350 601 Y HA 0.638 5.188 4.550 -0.000 0.000 0.338 601 Y C -0.063 175.856 175.900 0.032 0.000 0.961 601 Y CA -0.976 57.094 58.100 -0.050 0.000 1.100 601 Y CB 2.547 40.760 38.460 -0.411 0.000 1.179 601 Y HN 0.119 nan 8.280 nan 0.000 0.454 602 V N 4.992 125.063 119.914 0.261 0.000 2.483 602 V HA 0.234 4.354 4.120 -0.000 0.000 0.297 602 V C -0.613 175.508 176.094 0.043 0.000 1.027 602 V CA -0.957 61.376 62.300 0.054 0.000 0.855 602 V CB 1.708 33.419 31.823 -0.186 0.000 0.995 602 V HN 0.539 nan 8.190 nan 0.000 0.424 603 L N 5.740 126.955 121.223 -0.014 0.000 2.559 603 L HA 0.177 4.517 4.340 -0.000 0.000 0.274 603 L C 0.578 177.267 176.870 -0.302 0.000 1.205 603 L CA 0.523 55.198 54.840 -0.276 0.000 0.907 603 L CB -0.081 41.820 42.059 -0.262 0.000 1.153 603 L HN 0.596 nan 8.230 nan 0.000 0.490 604 K N 6.165 126.353 120.400 -0.354 0.000 2.219 604 K HA 0.266 4.586 4.320 -0.000 0.000 0.258 604 K C -2.179 174.180 176.600 -0.402 0.000 1.008 604 K CA -1.260 54.808 56.287 -0.365 0.000 0.928 604 K CB -0.004 32.280 32.500 -0.360 0.000 0.983 604 K HN 0.495 nan 8.250 nan 0.000 0.484 605 P HA -0.067 nan 4.420 nan 0.000 0.270 605 P C -0.245 176.698 177.300 -0.595 0.000 1.223 605 P CA 0.078 62.841 63.100 -0.563 0.000 0.785 605 P CB 0.656 31.817 31.700 -0.898 0.000 0.923 606 A N 2.554 125.136 122.820 -0.397 0.000 1.883 606 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 606 A C 1.718 179.166 177.584 -0.227 0.000 1.186 606 A CA 1.945 53.837 52.037 -0.242 0.000 0.624 606 A CB -1.883 17.065 19.000 -0.086 0.000 0.822 606 A HN 0.697 nan 8.150 nan 0.000 0.444 607 F N -1.020 118.894 119.950 -0.059 0.000 2.664 607 F HA 0.120 4.647 4.527 -0.000 0.000 0.297 607 F C 1.050 176.779 175.800 -0.119 0.000 1.164 607 F CA 0.557 58.550 58.000 -0.011 0.000 1.472 607 F CB -0.508 38.584 39.000 0.153 0.000 1.108 607 F HN 0.088 nan 8.300 nan 0.000 0.596 608 L N -0.063 120.841 121.223 -0.530 0.000 2.693 608 L HA 0.303 4.643 4.340 -0.000 0.000 0.235 608 L C 1.271 177.959 176.870 -0.304 0.000 1.127 608 L CA 0.044 54.677 54.840 -0.346 0.000 0.914 608 L CB -0.020 41.761 42.059 -0.464 0.000 1.193 608 L HN 0.078 nan 8.230 nan 0.000 0.502 609 R N -0.252 120.053 120.500 -0.324 0.000 2.577 609 R HA 0.098 4.438 4.340 -0.000 0.000 0.344 609 R C -0.433 175.735 176.300 -0.220 0.000 1.037 609 R CA -0.141 55.700 56.100 -0.431 0.000 1.102 609 R CB 0.472 30.451 30.300 -0.536 0.000 1.313 609 R HN 0.028 nan 8.270 nan 0.000 0.561 610 D N 0.676 121.029 120.400 -0.078 0.000 2.453 610 D HA 0.185 4.825 4.640 -0.000 0.000 0.238 610 D C -1.783 174.542 176.300 0.042 0.000 1.088 610 D CA -2.569 51.439 54.000 0.013 0.000 0.854 610 D CB 1.822 42.666 40.800 0.075 0.000 1.076 610 D HN -0.206 nan 8.370 nan 0.000 0.533 611 P HA -0.148 nan 4.420 nan 0.000 0.217 611 P C -0.278 177.071 177.300 0.081 0.000 1.148 611 P CA 1.032 64.172 63.100 0.068 0.000 0.834 611 P CB 0.067 31.814 31.700 0.078 0.000 0.783 612 N N -0.249 118.503 118.700 0.085 0.000 3.301 612 N HA 0.127 4.867 4.740 -0.000 0.000 0.289 612 N C -0.475 175.107 175.510 0.121 0.000 1.343 612 N CA 0.186 53.292 53.050 0.093 0.000 1.136 612 N CB 0.003 38.540 38.487 0.084 0.000 1.402 612 N HN 0.018 nan 8.380 nan 0.000 0.516 613 T N -0.261 114.370 114.554 0.128 0.000 2.823 613 T HA 0.259 4.609 4.350 -0.000 0.000 0.279 613 T C 1.406 176.191 174.700 0.142 0.000 0.998 613 T CA -0.569 61.636 62.100 0.176 0.000 0.994 613 T CB 1.804 70.791 68.868 0.199 0.000 0.960 613 T HN 0.364 nan 8.240 nan 0.000 0.448 614 T N 0.083 114.745 114.554 0.181 0.000 3.122 614 T HA 0.248 4.598 4.350 -0.000 0.000 0.250 614 T C 0.436 175.109 174.700 -0.044 0.000 1.067 614 T CA -0.497 61.671 62.100 0.113 0.000 0.966 614 T CB -0.523 68.460 68.868 0.193 0.000 1.002 614 T HN 0.404 nan 8.240 nan 0.000 0.542 615 F N 3.053 122.769 119.950 -0.390 0.000 2.545 615 F HA 0.474 5.001 4.527 -0.000 0.000 0.348 615 F C 0.245 175.782 175.800 -0.440 0.000 1.163 615 F CA -0.445 57.022 58.000 -0.887 0.000 1.331 615 F CB 0.477 38.837 39.000 -1.066 0.000 1.138 615 F HN 0.235 nan 8.300 nan 0.000 0.602 616 N N 2.530 120.306 118.700 -1.540 0.000 3.193 616 N HA -0.039 4.701 4.740 -0.000 0.000 0.234 616 N C 0.179 174.976 175.510 -1.189 0.000 1.267 616 N CA 0.454 52.885 53.050 -1.032 0.000 0.875 616 N CB 0.896 39.106 38.487 -0.463 0.000 1.592 616 N HN 0.676 nan 8.380 nan 0.000 0.648 617 S N 2.741 117.666 115.700 -1.292 0.000 2.461 617 S HA -0.134 4.336 4.470 -0.000 0.000 0.246 617 S C 1.279 175.693 174.600 -0.310 0.000 1.007 617 S CA 0.941 58.764 58.200 -0.629 0.000 0.976 617 S CB -0.017 63.097 63.200 -0.143 0.000 0.763 617 S HN 0.581 nan 8.310 nan 0.000 0.508 618 R N 0.619 120.941 120.500 -0.297 0.000 2.223 618 R HA 0.332 4.672 4.340 -0.000 0.000 0.198 618 R C 0.565 176.779 176.300 -0.143 0.000 0.984 618 R CA 0.840 56.842 56.100 -0.163 0.000 1.018 618 R CB 0.029 30.254 30.300 -0.124 0.000 0.945 618 R HN 0.448 nan 8.270 nan 0.000 0.479 619 A N 1.657 124.357 122.820 -0.201 0.000 3.030 619 A HA 0.365 4.685 4.320 -0.000 0.000 0.335 619 A C -0.302 177.189 177.584 -0.156 0.000 1.089 619 A CA -0.539 51.415 52.037 -0.138 0.000 0.807 619 A CB 0.245 19.171 19.000 -0.124 0.000 1.099 619 A HN 0.064 nan 8.150 nan 0.000 0.474 620 L N 2.092 123.260 121.223 -0.092 0.000 2.410 620 L HA 0.380 4.720 4.340 -0.000 0.000 0.273 620 L C 1.106 178.003 176.870 0.045 0.000 1.152 620 L CA 0.265 55.105 54.840 -0.001 0.000 0.855 620 L CB 1.115 43.271 42.059 0.163 0.000 1.129 620 L HN 0.753 nan 8.230 nan 0.000 0.463 621 T N 0.508 115.161 114.554 0.164 0.000 2.888 621 T HA 0.352 4.702 4.350 -0.000 0.000 0.288 621 T C -0.481 174.318 174.700 0.164 0.000 1.063 621 T CA -0.864 61.298 62.100 0.104 0.000 1.010 621 T CB 1.807 70.766 68.868 0.152 0.000 1.214 621 T HN 0.489 nan 8.240 nan 0.000 0.533 622 Q N -0.206 119.533 119.800 -0.102 0.000 2.352 622 Q HA 0.576 4.916 4.340 -0.000 0.000 0.260 622 Q C 0.021 175.804 176.000 -0.362 0.000 0.976 622 Q CA 0.700 56.331 55.803 -0.288 0.000 0.881 622 Q CB 0.232 28.767 28.738 -0.338 0.000 1.235 622 Q HN 1.163 nan 8.270 nan 0.000 0.419 623 G N 2.671 110.919 108.800 -0.919 0.000 2.506 623 G HA2 0.315 4.275 3.960 -0.000 0.000 0.292 623 G HA3 0.315 4.275 3.960 -0.000 0.000 0.292 623 G C -2.549 171.517 174.900 -1.391 0.000 1.425 623 G CA -0.823 43.190 45.100 -1.812 0.000 0.788 623 G HN 0.464 nan 8.290 nan 0.000 0.490 624 P HA -0.091 nan 4.420 nan 0.000 0.217 624 P C 1.525 178.624 177.300 -0.334 0.000 1.148 624 P CA 1.913 64.775 63.100 -0.396 0.000 0.828 624 P CB -0.099 31.543 31.700 -0.095 0.000 0.783 625 W N -1.655 119.496 121.300 -0.247 0.000 2.525 625 W HA 0.003 4.663 4.660 -0.000 0.000 0.259 625 W C 0.801 177.223 176.519 -0.163 0.000 1.253 625 W CA -0.638 56.415 57.345 -0.487 0.000 1.262 625 W CB -1.598 26.930 29.460 -1.553 0.000 1.122 625 W HN -0.079 nan 8.180 nan 0.000 0.607 626 W N 4.226 125.190 121.300 -0.559 0.000 2.416 626 W HA 0.417 5.077 4.660 -0.000 0.000 0.318 626 W C -0.595 175.826 176.519 -0.164 0.000 1.150 626 W CA -0.697 56.523 57.345 -0.207 0.000 1.392 626 W CB 0.220 29.528 29.460 -0.253 0.000 1.311 626 W HN -0.041 nan 8.180 nan 0.000 0.436 627 R N 6.159 126.292 120.500 -0.612 0.000 2.837 627 R HA 0.168 4.508 4.340 -0.000 0.000 0.245 627 R C -2.598 173.430 176.300 -0.454 0.000 1.712 627 R CA -1.574 54.283 56.100 -0.404 0.000 1.539 627 R CB 0.897 31.083 30.300 -0.189 0.000 1.490 627 R HN 0.134 nan 8.270 nan 0.000 0.667 628 P HA -0.091 nan 4.420 nan 0.000 0.264 628 P C -0.391 176.783 177.300 -0.209 0.000 1.179 628 P CA 0.675 63.514 63.100 -0.436 0.000 0.763 628 P CB 0.706 32.202 31.700 -0.340 0.000 0.806 629 E N 1.760 121.868 120.200 -0.154 0.000 2.416 629 E HA 0.404 4.754 4.350 -0.000 0.000 0.273 629 E C -0.673 175.966 176.600 0.066 0.000 0.935 629 E CA -0.937 55.469 56.400 0.011 0.000 0.784 629 E CB 2.448 32.243 29.700 0.159 0.000 1.301 629 E HN 0.349 nan 8.360 nan 0.000 0.454 630 R N 1.856 122.427 120.500 0.118 0.000 2.337 630 R HA 0.355 4.695 4.340 -0.000 0.000 0.319 630 R C -1.250 175.151 176.300 0.167 0.000 0.954 630 R CA -0.701 55.469 56.100 0.116 0.000 0.840 630 R CB 0.612 30.945 30.300 0.055 0.000 1.164 630 R HN 0.380 nan 8.270 nan 0.000 0.472 631 L N 4.459 125.832 121.223 0.250 0.000 2.295 631 L HA 0.512 4.852 4.340 -0.000 0.000 0.285 631 L C -0.831 176.150 176.870 0.186 0.000 1.035 631 L CA -0.112 54.874 54.840 0.242 0.000 0.806 631 L CB 1.150 43.443 42.059 0.390 0.000 1.214 631 L HN 0.573 nan 8.230 nan 0.000 0.426 632 R N 4.694 125.243 120.500 0.082 0.000 2.451 632 R HA 0.637 4.977 4.340 -0.000 0.000 0.307 632 R C -1.582 174.731 176.300 0.021 0.000 0.965 632 R CA -0.793 55.328 56.100 0.036 0.000 0.865 632 R CB 2.044 32.325 30.300 -0.032 0.000 1.174 632 R HN 0.489 nan 8.270 nan 0.000 0.455 633 V N 3.458 123.416 119.914 0.074 0.000 2.495 633 V HA 0.460 4.580 4.120 -0.000 0.000 0.298 633 V C 0.079 176.144 176.094 -0.048 0.000 1.031 633 V CA -0.851 61.481 62.300 0.054 0.000 0.871 633 V CB 2.114 34.042 31.823 0.175 0.000 0.988 633 V HN 0.581 nan 8.190 nan 0.000 0.432 634 R N 4.507 124.947 120.500 -0.099 0.000 2.310 634 R HA 0.502 4.842 4.340 -0.000 0.000 0.324 634 R C -1.152 175.084 176.300 -0.107 0.000 0.955 634 R CA -0.728 55.281 56.100 -0.152 0.000 0.830 634 R CB 1.018 31.232 30.300 -0.143 0.000 1.154 634 R HN 0.549 nan 8.270 nan 0.000 0.458 635 I N 7.461 127.947 120.570 -0.140 0.000 2.294 635 I HA 0.055 4.225 4.170 -0.000 0.000 0.295 635 I C 1.290 177.453 176.117 0.077 0.000 1.098 635 I CA 0.127 61.408 61.300 -0.032 0.000 1.277 635 I CB 0.613 38.539 38.000 -0.122 0.000 1.434 635 I HN 0.749 nan 8.210 nan 0.000 0.498 636 I N 3.929 124.575 120.570 0.126 0.000 2.368 636 I HA -0.067 4.103 4.170 -0.000 0.000 0.238 636 I C 0.984 177.311 176.117 0.350 0.000 1.076 636 I CA 0.829 62.260 61.300 0.218 0.000 1.397 636 I CB 0.127 38.260 38.000 0.222 0.000 1.141 636 I HN 0.692 nan 8.210 nan 0.000 0.430 637 S N -0.770 115.179 115.700 0.415 0.000 2.625 637 S HA 0.729 5.199 4.470 -0.000 0.000 0.271 637 S C -0.551 174.290 174.600 0.402 0.000 1.161 637 S CA -0.584 57.823 58.200 0.346 0.000 0.820 637 S CB 1.610 64.920 63.200 0.183 0.000 1.137 637 S HN 0.221 nan 8.310 nan 0.000 0.470 638 G N -0.214 108.740 108.800 0.257 0.000 2.482 638 G HA2 0.635 4.595 3.960 -0.000 0.000 0.317 638 G HA3 0.635 4.595 3.960 -0.000 0.000 0.317 638 G C -1.833 173.058 174.900 -0.016 0.000 1.241 638 G CA -0.744 44.496 45.100 0.234 0.000 0.967 638 G HN 0.554 nan 8.290 nan 0.000 0.482 639 Q N 0.263 120.028 119.800 -0.059 0.000 2.321 639 Q HA 0.434 4.774 4.340 -0.000 0.000 0.270 639 Q C -0.212 175.688 176.000 -0.168 0.000 1.032 639 Q CA -0.583 55.090 55.803 -0.216 0.000 0.784 639 Q CB 2.127 30.721 28.738 -0.241 0.000 1.264 639 Q HN 0.680 nan 8.270 nan 0.000 0.448 640 Q N 1.522 121.203 119.800 -0.199 0.000 2.423 640 Q HA -0.225 4.115 4.340 -0.000 0.000 0.332 640 Q C -0.806 175.198 176.000 0.007 0.000 1.355 640 Q CA 0.211 56.004 55.803 -0.018 0.000 0.947 640 Q CB -1.244 27.500 28.738 0.010 0.000 1.189 640 Q HN 0.590 nan 8.270 nan 0.000 0.418 641 L N 1.776 123.000 121.223 0.003 0.000 2.499 641 L HA 0.128 4.468 4.340 -0.000 0.000 0.273 641 L C -1.303 175.576 176.870 0.015 0.000 1.195 641 L CA -1.412 53.424 54.840 -0.006 0.000 0.882 641 L CB -0.371 41.703 42.059 0.025 0.000 1.133 641 L HN 0.098 nan 8.230 nan 0.000 0.483 642 P HA 0.018 nan 4.420 nan 0.000 0.271 642 P C -0.716 176.616 177.300 0.053 0.000 1.218 642 P CA -0.546 62.588 63.100 0.056 0.000 0.780 642 P CB 0.629 32.370 31.700 0.069 0.000 0.901 643 K N 3.050 123.496 120.400 0.077 0.000 2.294 643 K HA 0.111 4.431 4.320 -0.000 0.000 0.288 643 K C -0.231 176.416 176.600 0.078 0.000 1.072 643 K CA -0.365 55.962 56.287 0.066 0.000 0.960 643 K CB -1.257 31.278 32.500 0.059 0.000 1.043 643 K HN 0.146 nan 8.250 nan 0.000 0.455 644 V N 6.793 126.749 119.914 0.070 0.000 2.032 644 V HA -0.138 3.982 4.120 -0.000 0.000 0.233 644 V C 0.939 177.083 176.094 0.083 0.000 1.578 644 V CA 0.900 63.253 62.300 0.088 0.000 1.560 644 V CB -2.210 29.672 31.823 0.099 0.000 1.556 644 V HN 1.031 nan 8.190 nan 0.000 0.496 645 N N 1.140 119.889 118.700 0.081 0.000 2.635 645 N HA -0.296 4.444 4.740 -0.000 0.000 0.174 645 N C 0.087 175.628 175.510 0.052 0.000 0.435 645 N CA 1.409 54.498 53.050 0.066 0.000 1.657 645 N CB -0.457 38.069 38.487 0.065 0.000 1.371 645 N HN 0.445 nan 8.380 nan 0.000 0.396 646 K N 0.870 121.298 120.400 0.047 0.000 7.323 646 K HA -0.133 4.187 4.320 -0.000 0.000 0.689 646 K C -1.000 175.619 176.600 0.032 0.000 2.565 646 K CA 0.436 56.746 56.287 0.038 0.000 1.883 646 K CB -0.679 31.843 32.500 0.038 0.000 1.982 646 K HN 0.509 nan 8.250 nan 0.000 0.295 647 N N 3.268 121.985 118.700 0.027 0.000 2.581 647 N HA -0.031 4.709 4.740 -0.000 0.000 0.230 647 N C -0.197 175.326 175.510 0.021 0.000 1.310 647 N CA 0.544 53.608 53.050 0.024 0.000 0.886 647 N CB -0.036 38.464 38.487 0.020 0.000 1.205 647 N HN 0.521 nan 8.380 nan 0.000 0.488 648 K N -2.154 118.260 120.400 0.023 0.000 2.680 648 K HA 0.266 4.586 4.320 -0.000 0.000 0.295 648 K C -1.402 175.211 176.600 0.022 0.000 1.052 648 K CA -0.899 55.400 56.287 0.021 0.000 0.863 648 K CB 0.183 32.694 32.500 0.019 0.000 1.549 648 K HN -0.308 nan 8.250 nan 0.000 0.391 649 N N 0.691 119.403 118.700 0.019 0.000 2.678 649 N HA 0.260 5.000 4.740 -0.000 0.000 0.231 649 N C -1.599 173.922 175.510 0.019 0.000 1.038 649 N CA 0.062 53.123 53.050 0.018 0.000 0.932 649 N CB 0.985 39.480 38.487 0.014 0.000 1.176 649 N HN 0.602 nan 8.380 nan 0.000 0.511 650 S N 1.762 117.476 115.700 0.023 0.000 2.709 650 S HA 0.728 5.197 4.470 -0.000 0.000 0.302 650 S C -0.673 173.944 174.600 0.028 0.000 1.127 650 S CA -0.578 57.637 58.200 0.026 0.000 0.905 650 S CB 0.700 63.918 63.200 0.029 0.000 1.151 650 S HN 0.218 nan 8.310 nan 0.000 0.510 651 I N 1.795 122.384 120.570 0.031 0.000 2.750 651 I HA 0.441 4.611 4.170 -0.000 0.000 0.308 651 I C -0.127 176.017 176.117 0.046 0.000 1.016 651 I CA -0.706 60.614 61.300 0.034 0.000 1.098 651 I CB 1.571 39.587 38.000 0.027 0.000 1.279 651 I HN 0.409 nan 8.210 nan 0.000 0.454 652 V N 1.366 121.311 119.914 0.051 0.000 3.185 652 V HA 0.270 4.390 4.120 -0.000 0.000 0.305 652 V C -0.596 175.543 176.094 0.076 0.000 1.090 652 V CA -0.284 62.056 62.300 0.066 0.000 1.107 652 V CB 0.577 32.440 31.823 0.066 0.000 1.061 652 V HN 0.652 nan 8.190 nan 0.000 0.480 653 D N 1.816 122.283 120.400 0.111 0.000 2.552 653 D HA 0.328 4.968 4.640 -0.000 0.000 0.285 653 D C -2.722 173.693 176.300 0.191 0.000 1.206 653 D CA -0.933 53.148 54.000 0.136 0.000 0.826 653 D CB 1.049 41.959 40.800 0.183 0.000 1.179 653 D HN 0.406 nan 8.370 nan 0.000 0.508 654 P HA 0.182 nan 4.420 nan 0.000 0.274 654 P C -0.374 177.230 177.300 0.506 0.000 1.231 654 P CA -0.385 62.917 63.100 0.337 0.000 0.790 654 P CB 1.331 33.277 31.700 0.411 0.000 0.951 655 K N 0.367 120.973 120.400 0.343 0.000 2.536 655 K HA 0.612 4.932 4.320 -0.000 0.000 0.269 655 K C -1.893 174.631 176.600 -0.127 0.000 0.965 655 K CA -1.008 55.377 56.287 0.162 0.000 0.860 655 K CB 1.702 34.276 32.500 0.124 0.000 1.423 655 K HN 0.141 nan 8.250 nan 0.000 0.438 656 V N 2.730 122.409 119.914 -0.391 0.000 2.680 656 V HA 0.515 4.635 4.120 -0.000 0.000 0.309 656 V C -0.477 175.497 176.094 -0.201 0.000 1.052 656 V CA -0.934 61.153 62.300 -0.355 0.000 0.908 656 V CB 1.695 33.162 31.823 -0.594 0.000 1.001 656 V HN 0.653 nan 8.190 nan 0.000 0.431 657 I N 4.000 124.476 120.570 -0.156 0.000 2.509 657 I HA 0.605 4.775 4.170 -0.000 0.000 0.293 657 I C -0.671 175.313 176.117 -0.222 0.000 1.020 657 I CA -0.722 60.474 61.300 -0.174 0.000 1.088 657 I CB 2.045 39.986 38.000 -0.098 0.000 1.267 657 I HN 0.252 nan 8.210 nan 0.000 0.430 658 V N 5.399 125.122 119.914 -0.319 0.000 2.656 658 V HA 0.478 4.598 4.120 -0.000 0.000 0.307 658 V C -0.455 175.428 176.094 -0.352 0.000 1.051 658 V CA -0.608 61.456 62.300 -0.393 0.000 0.893 658 V CB 2.407 34.002 31.823 -0.379 0.000 0.999 658 V HN 0.790 nan 8.190 nan 0.000 0.426 659 E N 4.623 124.614 120.200 -0.348 0.000 2.340 659 E HA 0.616 4.966 4.350 -0.000 0.000 0.273 659 E C -1.667 174.700 176.600 -0.387 0.000 0.891 659 E CA -0.937 55.251 56.400 -0.352 0.000 0.757 659 E CB 2.850 32.414 29.700 -0.226 0.000 1.231 659 E HN 0.306 nan 8.360 nan 0.000 0.439 660 I N 2.319 122.603 120.570 -0.477 0.000 2.378 660 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 660 I C -0.397 175.536 176.117 -0.306 0.000 0.992 660 I CA -0.532 60.566 61.300 -0.337 0.000 1.154 660 I CB 0.861 38.640 38.000 -0.368 0.000 1.315 660 I HN 0.513 nan 8.210 nan 0.000 0.448 661 H N 4.043 123.079 119.070 -0.058 0.000 2.489 661 H HA 0.756 5.312 4.556 -0.000 0.000 0.343 661 H C 0.295 175.627 175.328 0.006 0.000 1.086 661 H CA -0.382 55.658 56.048 -0.014 0.000 1.198 661 H CB 2.585 32.361 29.762 0.023 0.000 1.490 661 H HN 0.857 nan 8.280 nan 0.000 0.504 662 G N 1.062 109.923 108.800 0.102 0.000 2.441 662 G HA2 0.152 4.112 3.960 -0.000 0.000 0.225 662 G HA3 0.152 4.112 3.960 -0.000 0.000 0.225 662 G C -0.465 174.470 174.900 0.059 0.000 1.200 662 G CA -0.155 44.991 45.100 0.077 0.000 0.947 662 G HN 0.549 nan 8.290 nan 0.000 0.484 663 V N 0.625 120.570 119.914 0.052 0.000 3.178 663 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 663 V C 1.847 177.952 176.094 0.017 0.000 1.107 663 V CA 1.295 63.626 62.300 0.052 0.000 1.195 663 V CB 0.552 32.417 31.823 0.071 0.000 0.993 663 V HN 1.877 nan 8.190 nan 0.000 0.493 664 G N 1.759 110.565 108.800 0.009 0.000 2.440 664 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 664 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 664 G C 1.507 176.406 174.900 -0.003 0.000 1.154 664 G CA 0.942 46.041 45.100 -0.002 0.000 0.767 664 G HN 1.001 nan 8.290 nan 0.000 0.552 665 R N 0.428 120.934 120.500 0.010 0.000 2.127 665 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 665 R C 1.366 177.668 176.300 0.003 0.000 1.134 665 R CA 1.797 57.908 56.100 0.020 0.000 0.975 665 R CB -0.225 30.107 30.300 0.053 0.000 0.865 665 R HN 0.194 nan 8.270 nan 0.000 0.447 666 D N 0.432 120.821 120.400 -0.017 0.000 2.347 666 D HA -0.048 4.592 4.640 -0.000 0.000 0.213 666 D C 0.283 176.556 176.300 -0.046 0.000 0.985 666 D CA 0.832 54.807 54.000 -0.043 0.000 0.879 666 D CB 0.124 40.872 40.800 -0.088 0.000 0.919 666 D HN 0.352 nan 8.370 nan 0.000 0.526 667 T N -0.842 113.684 114.554 -0.048 0.000 2.834 667 T HA 0.497 4.847 4.350 -0.000 0.000 0.298 667 T C 0.437 175.094 174.700 -0.073 0.000 0.966 667 T CA -0.427 61.618 62.100 -0.091 0.000 1.141 667 T CB 1.563 70.366 68.868 -0.109 0.000 0.905 667 T HN 0.030 nan 8.240 nan 0.000 0.535 668 G N 0.967 109.702 108.800 -0.107 0.000 2.695 668 G HA2 0.634 4.594 3.960 -0.000 0.000 0.290 668 G HA3 0.634 4.594 3.960 -0.000 0.000 0.290 668 G C -1.307 173.539 174.900 -0.090 0.000 1.410 668 G CA -0.707 44.386 45.100 -0.011 0.000 0.844 668 G HN 1.064 nan 8.290 nan 0.000 0.478 669 S N -0.639 115.054 115.700 -0.013 0.000 2.537 669 S HA 0.835 5.305 4.470 -0.000 0.000 0.270 669 S C -1.354 173.197 174.600 -0.082 0.000 1.142 669 S CA -0.836 57.309 58.200 -0.091 0.000 0.870 669 S CB 1.623 64.754 63.200 -0.116 0.000 1.112 669 S HN 0.731 nan 8.310 nan 0.000 0.466 670 R N 1.966 122.320 120.500 -0.244 0.000 2.680 670 R HA 0.475 4.815 4.340 -0.000 0.000 0.269 670 R C -1.402 174.520 176.300 -0.629 0.000 1.026 670 R CA -0.706 55.088 56.100 -0.510 0.000 0.889 670 R CB 1.708 31.416 30.300 -0.987 0.000 1.241 670 R HN 0.910 nan 8.270 nan 0.000 0.463 671 Q N -0.169 119.355 119.800 -0.459 0.000 2.456 671 Q HA 0.533 4.873 4.340 -0.000 0.000 0.283 671 Q C -0.718 175.317 176.000 0.058 0.000 1.084 671 Q CA -0.737 54.931 55.803 -0.225 0.000 0.801 671 Q CB 2.399 31.072 28.738 -0.110 0.000 1.434 671 Q HN 0.667 nan 8.270 nan 0.000 0.419 672 T N -1.046 113.578 114.554 0.116 0.000 2.867 672 T HA 0.783 5.133 4.350 -0.000 0.000 0.286 672 T C 0.433 175.183 174.700 0.083 0.000 1.022 672 T CA -0.038 62.139 62.100 0.128 0.000 0.933 672 T CB 0.847 69.601 68.868 -0.191 0.000 1.280 672 T HN 0.802 nan 8.240 nan 0.000 0.566 673 A N 0.062 122.982 122.820 0.166 0.000 2.246 673 A HA 0.654 4.974 4.320 -0.000 0.000 0.291 673 A C 0.002 177.751 177.584 0.276 0.000 1.103 673 A CA -0.811 51.326 52.037 0.165 0.000 0.844 673 A CB 0.253 19.352 19.000 0.165 0.000 1.136 673 A HN 0.800 nan 8.150 nan 0.000 0.500 674 V N 0.682 120.675 119.914 0.133 0.000 2.539 674 V HA 0.306 4.426 4.120 -0.000 0.000 0.292 674 V C -0.548 175.620 176.094 0.123 0.000 1.045 674 V CA -0.253 62.140 62.300 0.156 0.000 0.945 674 V CB 1.202 32.981 31.823 -0.073 0.000 0.993 674 V HN 0.607 nan 8.190 nan 0.000 0.464 675 I N 3.716 124.350 120.570 0.107 0.000 2.354 675 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 675 I C 0.651 176.757 176.117 -0.019 0.000 0.989 675 I CA 0.156 61.408 61.300 -0.080 0.000 1.188 675 I CB 1.832 39.624 38.000 -0.347 0.000 1.342 675 I HN 0.820 nan 8.210 nan 0.000 0.457 676 T N 2.667 117.211 114.554 -0.018 0.000 2.889 676 T HA 0.313 4.663 4.350 -0.000 0.000 0.291 676 T C 0.608 175.311 174.700 0.005 0.000 0.995 676 T CA -0.297 61.813 62.100 0.017 0.000 1.092 676 T CB 0.259 69.143 68.868 0.027 0.000 0.954 676 T HN 0.588 nan 8.240 nan 0.000 0.506 677 N N 1.311 120.028 118.700 0.028 0.000 2.740 677 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 677 N C -1.195 174.317 175.510 0.002 0.000 1.062 677 N CA 0.895 53.957 53.050 0.019 0.000 0.704 677 N CB -1.225 37.271 38.487 0.015 0.000 0.968 677 N HN 0.844 nan 8.380 nan 0.000 0.547 678 N N -1.130 117.565 118.700 -0.008 0.000 2.478 678 N HA 0.577 5.317 4.740 -0.000 0.000 0.291 678 N C 0.507 176.009 175.510 -0.013 0.000 1.090 678 N CA 0.196 53.234 53.050 -0.019 0.000 0.911 678 N CB 1.264 39.707 38.487 -0.074 0.000 1.546 678 N HN 0.110 nan 8.380 nan 0.000 0.500 679 G N 1.325 110.148 108.800 0.038 0.000 2.815 679 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.215 679 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.215 679 G C 0.694 175.632 174.900 0.064 0.000 1.054 679 G CA -0.075 45.053 45.100 0.046 0.000 0.832 679 G HN 0.477 nan 8.290 nan 0.000 0.557 680 F N 3.071 122.978 119.950 -0.072 0.000 2.206 680 F HA 0.121 4.648 4.527 -0.000 0.000 0.298 680 F C 0.846 176.589 175.800 -0.097 0.000 1.090 680 F CA 1.259 59.208 58.000 -0.085 0.000 1.323 680 F CB 0.459 39.397 39.000 -0.103 0.000 1.028 680 F HN 0.287 nan 8.300 nan 0.000 0.492 681 N N -1.094 117.453 118.700 -0.255 0.000 2.658 681 N HA 0.134 4.874 4.740 -0.000 0.000 0.238 681 N C -3.330 172.031 175.510 -0.249 0.000 1.495 681 N CA -1.227 51.608 53.050 -0.358 0.000 0.883 681 N CB -0.794 37.421 38.487 -0.453 0.000 1.463 681 N HN 0.033 nan 8.380 nan 0.000 0.531 682 P HA 0.155 nan 4.420 nan 0.000 0.268 682 P C -0.501 176.454 177.300 -0.576 0.000 1.205 682 P CA 0.027 62.807 63.100 -0.535 0.000 0.771 682 P CB 1.185 32.401 31.700 -0.808 0.000 0.858 683 R N 2.955 123.137 120.500 -0.529 0.000 2.513 683 R HA 0.342 4.682 4.340 -0.000 0.000 0.301 683 R C 0.098 176.220 176.300 -0.296 0.000 0.968 683 R CA -0.568 55.368 56.100 -0.274 0.000 0.872 683 R CB 0.926 31.156 30.300 -0.118 0.000 1.177 683 R HN 0.488 nan 8.270 nan 0.000 0.444 684 W N 1.590 122.897 121.300 0.011 0.000 2.952 684 W HA 0.158 4.818 4.660 0.000 0.000 0.251 684 W C -0.184 176.318 176.519 -0.028 0.000 1.144 684 W CA 0.122 57.463 57.345 -0.007 0.000 1.551 684 W CB 0.376 29.832 29.460 -0.007 0.000 0.978 684 W HN 0.616 nan 8.180 nan 0.000 0.648 685 D N 1.111 121.654 120.400 0.238 0.000 2.737 685 D HA -0.205 4.435 4.640 -0.000 0.000 0.238 685 D C -0.429 175.878 176.300 0.011 0.000 1.157 685 D CA 1.149 55.209 54.000 0.100 0.000 0.694 685 D CB -1.086 39.758 40.800 0.074 0.000 1.021 685 D HN 0.064 nan 8.370 nan 0.000 0.420 686 M N 1.035 120.590 119.600 -0.075 0.000 2.465 686 M HA 0.426 4.906 4.480 -0.000 0.000 0.316 686 M C -0.794 175.190 176.300 -0.527 0.000 1.121 686 M CA -0.422 54.708 55.300 -0.283 0.000 0.934 686 M CB 2.063 34.454 32.600 -0.348 0.000 1.692 686 M HN 0.070 nan 8.290 nan 0.000 0.444 687 E N 3.042 122.906 120.200 -0.560 0.000 2.288 687 E HA 0.646 4.996 4.350 -0.000 0.000 0.268 687 E C -1.941 174.312 176.600 -0.579 0.000 0.885 687 E CA -0.609 55.468 56.400 -0.537 0.000 0.767 687 E CB 1.362 30.911 29.700 -0.251 0.000 1.220 687 E HN 0.593 nan 8.360 nan 0.000 0.427 688 F N 0.972 120.841 119.950 -0.134 0.000 2.593 688 F HA 0.489 5.016 4.527 0.000 0.000 0.320 688 F C -0.224 175.363 175.800 -0.356 0.000 1.060 688 F CA -0.932 56.898 58.000 -0.283 0.000 0.940 688 F CB 2.086 40.911 39.000 -0.290 0.000 1.268 688 F HN 0.539 nan 8.300 nan 0.000 0.475 689 E N 1.105 121.055 120.200 -0.417 0.000 2.292 689 E HA 0.665 5.015 4.350 -0.000 0.000 0.272 689 E C -2.156 174.078 176.600 -0.609 0.000 0.881 689 E CA -0.455 55.746 56.400 -0.333 0.000 0.754 689 E CB 1.556 31.161 29.700 -0.157 0.000 1.201 689 E HN 0.414 nan 8.360 nan 0.000 0.425 690 F N 1.357 121.334 119.950 0.046 0.000 2.576 690 F HA 0.378 4.906 4.527 0.000 0.000 0.313 690 F C -0.006 175.810 175.800 0.027 0.000 1.078 690 F CA -0.905 57.112 58.000 0.027 0.000 0.921 690 F CB 2.068 41.089 39.000 0.035 0.000 1.232 690 F HN 0.363 nan 8.300 nan 0.000 0.459 691 E N 1.815 122.112 120.200 0.161 0.000 2.175 691 E HA 0.640 4.990 4.350 -0.000 0.000 0.278 691 E C -1.737 174.862 176.600 -0.002 0.000 0.969 691 E CA -0.497 55.939 56.400 0.060 0.000 0.796 691 E CB 1.913 31.623 29.700 0.016 0.000 1.104 691 E HN 0.488 nan 8.360 nan 0.000 0.395 692 V N 4.047 123.890 119.914 -0.117 0.000 2.482 692 V HA 0.085 4.205 4.120 -0.000 0.000 0.295 692 V C 1.081 176.935 176.094 -0.400 0.000 1.026 692 V CA -0.363 61.774 62.300 -0.272 0.000 0.856 692 V CB 1.441 32.971 31.823 -0.489 0.000 1.001 692 V HN 0.932 nan 8.190 nan 0.000 0.424 693 T N 1.419 115.721 114.554 -0.420 0.000 3.014 693 T HA 0.040 4.390 4.350 -0.000 0.000 0.263 693 T C 0.535 174.897 174.700 -0.564 0.000 1.078 693 T CA 0.618 62.302 62.100 -0.693 0.000 1.135 693 T CB 0.178 68.567 68.868 -0.799 0.000 0.895 693 T HN 0.384 nan 8.240 nan 0.000 0.480 694 V N 2.961 122.656 119.914 -0.366 0.000 2.468 694 V HA 0.309 4.429 4.120 -0.000 0.000 0.256 694 V C -1.770 174.124 176.094 -0.333 0.000 0.998 694 V CA -1.594 60.566 62.300 -0.234 0.000 1.114 694 V CB 1.020 32.833 31.823 -0.018 0.000 1.378 694 V HN 0.132 nan 8.190 nan 0.000 0.573 695 P HA -0.213 nan 4.420 nan 0.000 0.216 695 P C 1.075 178.046 177.300 -0.548 0.000 1.154 695 P CA 1.523 63.972 63.100 -1.085 0.000 0.865 695 P CB 0.304 31.235 31.700 -1.282 0.000 0.789 696 D N -0.833 119.421 120.400 -0.243 0.000 2.384 696 D HA -0.061 4.579 4.640 -0.000 0.000 0.222 696 D C 1.471 177.733 176.300 -0.063 0.000 0.976 696 D CA 0.808 54.763 54.000 -0.075 0.000 0.915 696 D CB 0.112 40.926 40.800 0.023 0.000 0.896 696 D HN 0.320 nan 8.370 nan 0.000 0.523 697 L N -0.248 120.942 121.223 -0.056 0.000 2.966 697 L HA 0.278 4.618 4.340 -0.000 0.000 0.262 697 L C 0.758 177.636 176.870 0.013 0.000 1.165 697 L CA -0.255 54.584 54.840 -0.003 0.000 0.978 697 L CB 0.656 42.758 42.059 0.073 0.000 1.337 697 L HN -0.177 nan 8.230 nan 0.000 0.563 698 A N 0.712 123.507 122.820 -0.042 0.000 2.271 698 A HA 0.783 5.103 4.320 -0.000 0.000 0.288 698 A C -0.680 176.998 177.584 0.157 0.000 1.094 698 A CA -0.058 51.996 52.037 0.029 0.000 0.828 698 A CB 0.868 19.805 19.000 -0.104 0.000 1.091 698 A HN 0.138 nan 8.150 nan 0.000 0.493 699 L N -0.322 121.018 121.223 0.194 0.000 2.506 699 L HA 0.523 4.863 4.340 -0.000 0.000 0.257 699 L C -0.980 176.012 176.870 0.204 0.000 0.964 699 L CA -0.346 54.605 54.840 0.185 0.000 0.836 699 L CB 2.366 44.505 42.059 0.133 0.000 1.384 699 L HN 0.425 nan 8.230 nan 0.000 0.410 700 V N 1.896 121.913 119.914 0.172 0.000 2.540 700 V HA 0.636 4.756 4.120 -0.000 0.000 0.302 700 V C -0.481 175.742 176.094 0.214 0.000 1.035 700 V CA -0.636 61.746 62.300 0.137 0.000 0.873 700 V CB 1.957 33.849 31.823 0.115 0.000 0.992 700 V HN 0.689 nan 8.190 nan 0.000 0.428 701 R N 3.234 123.831 120.500 0.161 0.000 2.561 701 R HA 0.632 4.972 4.340 -0.000 0.000 0.297 701 R C -1.928 174.451 176.300 0.132 0.000 0.969 701 R CA -0.529 55.710 56.100 0.231 0.000 0.879 701 R CB 1.389 31.823 30.300 0.225 0.000 1.178 701 R HN 0.520 nan 8.270 nan 0.000 0.445 702 F N 4.569 124.539 119.950 0.033 0.000 2.411 702 F HA 0.470 4.997 4.527 -0.000 0.000 0.352 702 F C 0.270 176.072 175.800 0.003 0.000 1.123 702 F CA -0.651 57.352 58.000 0.004 0.000 1.044 702 F CB 1.808 40.807 39.000 -0.002 0.000 1.135 702 F HN 0.356 nan 8.300 nan 0.000 0.461 703 M N 4.103 123.750 119.600 0.079 0.000 2.457 703 M HA 0.782 5.262 4.480 -0.000 0.000 0.300 703 M C -2.072 174.187 176.300 -0.068 0.000 1.141 703 M CA -0.633 54.683 55.300 0.027 0.000 0.901 703 M CB 1.926 34.582 32.600 0.093 0.000 1.687 703 M HN 0.233 nan 8.290 nan 0.000 0.449 704 V N 3.641 123.450 119.914 -0.175 0.000 2.378 704 V HA 0.485 4.605 4.120 -0.000 0.000 0.288 704 V C -0.602 175.384 176.094 -0.179 0.000 1.016 704 V CA -0.617 61.590 62.300 -0.155 0.000 0.840 704 V CB 1.417 33.161 31.823 -0.131 0.000 0.994 704 V HN 0.888 nan 8.190 nan 0.000 0.431 705 E N 2.282 122.457 120.200 -0.041 0.000 2.202 705 E HA 0.367 4.717 4.350 -0.000 0.000 0.272 705 E C -1.129 175.521 176.600 0.083 0.000 0.951 705 E CA -0.777 55.640 56.400 0.028 0.000 0.813 705 E CB 2.073 31.826 29.700 0.088 0.000 1.151 705 E HN 0.677 nan 8.360 nan 0.000 0.398 706 D N 1.861 122.315 120.400 0.090 0.000 2.280 706 D HA 0.037 4.677 4.640 -0.000 0.000 0.243 706 D C -1.286 175.106 176.300 0.153 0.000 1.129 706 D CA -0.352 53.720 54.000 0.121 0.000 0.848 706 D CB 0.257 41.108 40.800 0.084 0.000 1.107 706 D HN 0.315 nan 8.370 nan 0.000 0.471 707 Y N 3.429 123.771 120.300 0.069 0.000 2.425 707 Y HA 0.210 4.760 4.550 0.000 0.000 0.331 707 Y C -0.418 175.514 175.900 0.053 0.000 1.157 707 Y CA 0.334 58.472 58.100 0.063 0.000 1.372 707 Y CB 0.615 39.118 38.460 0.071 0.000 1.253 707 Y HN 0.281 nan 8.280 nan 0.000 0.536 708 D N 4.471 124.413 120.400 -0.763 0.000 2.620 708 D HA 0.095 4.735 4.640 -0.000 0.000 0.252 708 D C 0.424 176.148 176.300 -0.958 0.000 1.207 708 D CA -0.063 53.571 54.000 -0.609 0.000 0.884 708 D CB 1.936 42.583 40.800 -0.254 0.000 1.262 708 D HN 0.714 nan 8.370 nan 0.000 0.552 709 S N 1.702 117.030 115.700 -0.620 0.000 2.348 709 S HA -0.202 4.268 4.470 -0.000 0.000 0.221 709 S C 1.849 176.356 174.600 -0.154 0.000 1.033 709 S CA 1.363 59.424 58.200 -0.233 0.000 1.010 709 S CB -0.287 62.956 63.200 0.072 0.000 0.891 709 S HN 0.429 nan 8.310 nan 0.000 0.442 710 S N 2.747 118.379 115.700 -0.114 0.000 2.361 710 S HA -0.035 4.435 4.470 -0.000 0.000 0.214 710 S C 1.740 176.291 174.600 -0.082 0.000 1.034 710 S CA 0.880 59.040 58.200 -0.067 0.000 1.025 710 S CB -1.214 61.960 63.200 -0.043 0.000 0.996 710 S HN 0.848 nan 8.310 nan 0.000 0.422 711 S N 1.464 117.105 115.700 -0.098 0.000 2.484 711 S HA 0.300 4.770 4.470 -0.000 0.000 0.256 711 S C 0.914 175.451 174.600 -0.105 0.000 1.223 711 S CA -0.502 57.650 58.200 -0.080 0.000 1.002 711 S CB 0.281 63.448 63.200 -0.055 0.000 1.043 711 S HN 0.423 nan 8.310 nan 0.000 0.517 712 K N 0.107 120.468 120.400 -0.064 0.000 1.992 712 K HA 0.094 4.414 4.320 -0.000 0.000 0.207 712 K C -0.358 176.198 176.600 -0.073 0.000 1.021 712 K CA 0.781 57.041 56.287 -0.044 0.000 1.018 712 K CB -0.333 32.164 32.500 -0.005 0.000 1.129 712 K HN 0.651 nan 8.250 nan 0.000 0.471 713 N N 1.212 119.902 118.700 -0.018 0.000 3.570 713 N HA 0.058 4.798 4.740 -0.000 0.000 0.193 713 N C -2.215 173.336 175.510 0.069 0.000 1.465 713 N CA -0.250 52.805 53.050 0.009 0.000 0.791 713 N CB 0.559 39.074 38.487 0.046 0.000 1.677 713 N HN 0.261 nan 8.380 nan 0.000 0.678 714 D N 1.229 121.668 120.400 0.066 0.000 2.662 714 D HA -0.110 4.530 4.640 -0.000 0.000 0.233 714 D C 0.280 176.674 176.300 0.157 0.000 1.129 714 D CA 0.570 54.635 54.000 0.110 0.000 0.851 714 D CB 0.159 41.010 40.800 0.086 0.000 1.152 714 D HN 0.305 nan 8.370 nan 0.000 0.507 715 F N 2.662 122.632 119.950 0.033 0.000 2.484 715 F HA 0.163 4.690 4.527 0.000 0.000 0.360 715 F C 0.690 176.508 175.800 0.030 0.000 1.101 715 F CA -0.135 57.885 58.000 0.033 0.000 1.251 715 F CB 0.417 39.434 39.000 0.029 0.000 1.132 715 F HN 0.319 nan 8.300 nan 0.000 0.570 716 I N 3.344 123.576 120.570 -0.563 0.000 3.300 716 I HA 0.396 4.566 4.170 -0.000 0.000 0.279 716 I C 1.061 176.742 176.117 -0.727 0.000 1.172 716 I CA 0.525 61.578 61.300 -0.411 0.000 1.431 716 I CB 0.195 38.044 38.000 -0.253 0.000 1.240 716 I HN 0.769 nan 8.210 nan 0.000 0.453 717 G N -0.313 107.748 108.800 -1.232 0.000 2.506 717 G HA2 0.509 4.469 3.960 -0.000 0.000 0.292 717 G HA3 0.509 4.469 3.960 -0.000 0.000 0.292 717 G C -2.085 172.435 174.900 -0.633 0.000 1.425 717 G CA -0.239 44.361 45.100 -0.832 0.000 0.788 717 G HN -0.093 nan 8.290 nan 0.000 0.490 718 Q N -0.828 118.922 119.800 -0.083 0.000 2.630 718 Q HA 0.710 5.050 4.340 -0.000 0.000 0.295 718 Q C -1.975 174.115 176.000 0.150 0.000 0.944 718 Q CA -0.668 55.202 55.803 0.111 0.000 0.766 718 Q CB 1.887 30.877 28.738 0.419 0.000 1.471 718 Q HN 1.136 nan 8.270 nan 0.000 0.416 719 S N 0.325 116.131 115.700 0.177 0.000 2.584 719 S HA 0.589 5.059 4.470 -0.000 0.000 0.280 719 S C -1.791 172.930 174.600 0.203 0.000 1.162 719 S CA -0.176 58.117 58.200 0.156 0.000 0.951 719 S CB 1.502 64.746 63.200 0.072 0.000 1.108 719 S HN 0.513 nan 8.310 nan 0.000 0.464 720 T N 4.934 119.600 114.554 0.188 0.000 2.786 720 T HA 0.611 4.961 4.350 -0.000 0.000 0.283 720 T C -0.664 174.168 174.700 0.220 0.000 0.992 720 T CA -0.258 61.953 62.100 0.186 0.000 0.954 720 T CB 0.587 69.525 68.868 0.116 0.000 0.934 720 T HN 0.510 nan 8.240 nan 0.000 0.440 721 I N 5.389 126.053 120.570 0.156 0.000 2.433 721 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 721 I C -2.331 173.756 176.117 -0.050 0.000 1.001 721 I CA -2.663 58.643 61.300 0.010 0.000 1.119 721 I CB 2.302 40.244 38.000 -0.096 0.000 1.289 721 I HN 0.299 nan 8.210 nan 0.000 0.438 722 P HA -0.073 nan 4.420 nan 0.000 0.271 722 P C 0.483 177.764 177.300 -0.032 0.000 1.216 722 P CA -0.168 62.894 63.100 -0.064 0.000 0.776 722 P CB 0.696 32.320 31.700 -0.127 0.000 0.881 723 W N 4.108 125.344 121.300 -0.106 0.000 2.304 723 W HA -0.253 4.407 4.660 -0.000 0.000 0.315 723 W C 0.763 177.230 176.519 -0.086 0.000 1.233 723 W CA 1.786 59.080 57.345 -0.085 0.000 1.261 723 W CB -0.668 28.755 29.460 -0.063 0.000 1.150 723 W HN 0.356 nan 8.180 nan 0.000 0.494 724 N N 0.069 118.873 118.700 0.172 0.000 2.550 724 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 724 N C 1.257 176.792 175.510 0.042 0.000 1.110 724 N CA 1.310 54.424 53.050 0.106 0.000 0.912 724 N CB -0.206 38.380 38.487 0.166 0.000 0.968 724 N HN 0.041 nan 8.380 nan 0.000 0.448 725 S N -0.035 115.604 115.700 -0.101 0.000 2.539 725 S HA 0.154 4.624 4.470 -0.000 0.000 0.221 725 S C 0.397 174.751 174.600 -0.409 0.000 0.987 725 S CA -0.536 57.538 58.200 -0.211 0.000 0.929 725 S CB 0.594 63.535 63.200 -0.432 0.000 0.832 725 S HN 0.099 nan 8.310 nan 0.000 0.492 726 L N 3.642 124.625 121.223 -0.400 0.000 2.477 726 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 726 L C 0.144 176.804 176.870 -0.351 0.000 1.157 726 L CA 0.562 55.161 54.840 -0.402 0.000 0.889 726 L CB -0.013 41.721 42.059 -0.541 0.000 1.158 726 L HN -0.039 nan 8.230 nan 0.000 0.473 727 K N 4.633 124.868 120.400 -0.274 0.000 2.098 727 K HA 0.374 4.694 4.320 -0.000 0.000 0.258 727 K C -0.520 175.945 176.600 -0.226 0.000 0.973 727 K CA -0.690 55.459 56.287 -0.228 0.000 0.898 727 K CB 1.464 33.863 32.500 -0.168 0.000 1.057 727 K HN 0.628 nan 8.250 nan 0.000 0.447 728 Q N 0.039 119.712 119.800 -0.212 0.000 2.193 728 Q HA 0.511 4.851 4.340 -0.000 0.000 0.246 728 Q C 0.457 176.313 176.000 -0.240 0.000 0.959 728 Q CA -0.646 55.019 55.803 -0.230 0.000 0.904 728 Q CB 1.475 30.079 28.738 -0.224 0.000 1.238 728 Q HN 0.871 nan 8.270 nan 0.000 0.469 729 G N 0.049 108.658 108.800 -0.318 0.000 2.484 729 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.225 729 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.225 729 G C -1.409 173.225 174.900 -0.444 0.000 1.250 729 G CA -0.724 44.128 45.100 -0.413 0.000 0.926 729 G HN 0.479 nan 8.290 nan 0.000 0.581 730 Y N 2.380 122.577 120.300 -0.172 0.000 2.336 730 Y HA 0.716 5.266 4.550 -0.000 0.000 0.335 730 Y C 1.306 177.058 175.900 -0.245 0.000 1.046 730 Y CA -0.064 57.892 58.100 -0.239 0.000 1.198 730 Y CB 1.131 39.598 38.460 0.013 0.000 1.182 730 Y HN 0.525 nan 8.280 nan 0.000 0.502 731 R N 1.357 121.707 120.500 -0.250 0.000 2.764 731 R HA 0.405 4.745 4.340 -0.000 0.000 0.270 731 R C -1.563 174.584 176.300 -0.255 0.000 1.014 731 R CA -1.325 54.654 56.100 -0.202 0.000 0.904 731 R CB 1.673 31.875 30.300 -0.165 0.000 1.236 731 R HN 0.730 nan 8.270 nan 0.000 0.466 732 H N -0.640 118.438 119.070 0.015 0.000 2.472 732 H HA 0.433 4.989 4.556 -0.000 0.000 0.338 732 H C -0.503 174.767 175.328 -0.096 0.000 1.133 732 H CA -0.624 55.421 56.048 -0.006 0.000 1.216 732 H CB 2.073 31.791 29.762 -0.074 0.000 1.497 732 H HN 0.029 nan 8.280 nan 0.000 0.500 733 V N 3.746 123.639 119.914 -0.035 0.000 2.350 733 V HA 0.076 4.196 4.120 -0.000 0.000 0.276 733 V C -0.430 175.592 176.094 -0.120 0.000 1.028 733 V CA -0.620 61.604 62.300 -0.127 0.000 0.860 733 V CB 0.397 32.024 31.823 -0.326 0.000 0.990 733 V HN 0.804 nan 8.190 nan 0.000 0.453 734 H N 4.859 123.916 119.070 -0.022 0.000 2.782 734 H HA 0.414 4.970 4.556 -0.000 0.000 0.285 734 H C 0.052 175.384 175.328 0.006 0.000 1.093 734 H CA -0.205 55.841 56.048 -0.004 0.000 1.410 734 H CB 0.392 30.152 29.762 -0.003 0.000 1.439 734 H HN 0.511 nan 8.280 nan 0.000 0.469 735 L N 4.264 125.518 121.223 0.053 0.000 2.461 735 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 735 L C -0.016 176.928 176.870 0.124 0.000 1.197 735 L CA 0.025 54.885 54.840 0.033 0.000 0.836 735 L CB 0.398 42.405 42.059 -0.087 0.000 1.105 735 L HN 0.419 nan 8.230 nan 0.000 0.477 736 L N 1.330 122.642 121.223 0.147 0.000 2.354 736 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 736 L C 0.406 177.498 176.870 0.369 0.000 1.005 736 L CA -0.624 54.376 54.840 0.268 0.000 0.819 736 L CB 2.074 44.254 42.059 0.202 0.000 1.311 736 L HN 0.747 nan 8.230 nan 0.000 0.423 737 S N 0.905 116.911 115.700 0.511 0.000 2.617 737 S HA 0.082 4.552 4.470 -0.000 0.000 0.255 737 S C 1.008 175.839 174.600 0.385 0.000 1.318 737 S CA -0.268 58.255 58.200 0.538 0.000 0.978 737 S CB 0.665 64.090 63.200 0.376 0.000 0.961 737 S HN 0.813 nan 8.310 nan 0.000 0.582 738 K N 0.724 121.290 120.400 0.275 0.000 2.209 738 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 738 K C 0.641 177.205 176.600 -0.060 0.000 1.048 738 K CA 1.416 57.639 56.287 -0.107 0.000 0.940 738 K CB -0.626 31.715 32.500 -0.265 0.000 0.729 738 K HN 0.600 nan 8.250 nan 0.000 0.451 739 N N 0.733 119.445 118.700 0.020 0.000 2.322 739 N HA 0.030 4.770 4.740 -0.000 0.000 0.194 739 N C 0.630 176.145 175.510 0.009 0.000 1.126 739 N CA 0.835 53.882 53.050 -0.004 0.000 0.845 739 N CB 0.963 39.454 38.487 0.006 0.000 0.976 739 N HN 0.560 nan 8.380 nan 0.000 0.475 740 G N 1.240 110.067 108.800 0.045 0.000 2.143 740 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.249 740 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.249 740 G C -0.456 174.480 174.900 0.060 0.000 0.981 740 G CA -0.157 44.972 45.100 0.049 0.000 0.665 740 G HN 0.309 nan 8.290 nan 0.000 0.528 741 D N 0.502 120.943 120.400 0.069 0.000 2.283 741 D HA 0.336 4.976 4.640 -0.000 0.000 0.248 741 D C 0.399 176.743 176.300 0.072 0.000 1.072 741 D CA -0.162 53.862 54.000 0.041 0.000 0.929 741 D CB 0.765 41.562 40.800 -0.004 0.000 1.182 741 D HN 0.092 nan 8.370 nan 0.000 0.433 742 Q N 0.808 120.633 119.800 0.041 0.000 2.314 742 Q HA 0.085 4.425 4.340 -0.000 0.000 0.258 742 Q C -0.734 175.301 176.000 0.060 0.000 0.954 742 Q CA 0.146 55.994 55.803 0.074 0.000 0.890 742 Q CB 0.600 29.362 28.738 0.040 0.000 1.210 742 Q HN 0.364 nan 8.270 nan 0.000 0.410 743 H N 4.701 123.809 119.070 0.064 0.000 2.690 743 H HA 0.116 4.672 4.556 -0.000 0.000 0.280 743 H C -1.309 174.055 175.328 0.059 0.000 1.138 743 H CA -1.553 54.528 56.048 0.056 0.000 1.241 743 H CB 0.935 30.727 29.762 0.050 0.000 1.394 743 H HN 0.486 nan 8.280 nan 0.000 0.489 744 P HA -0.302 nan 4.420 nan 0.000 0.224 744 P C 0.484 177.845 177.300 0.103 0.000 1.130 744 P CA 1.789 64.944 63.100 0.092 0.000 0.976 744 P CB 0.283 32.014 31.700 0.052 0.000 0.781 745 S N -2.036 113.715 115.700 0.084 0.000 2.593 745 S HA 0.528 4.998 4.470 -0.000 0.000 0.236 745 S C 0.713 175.306 174.600 -0.013 0.000 0.991 745 S CA -0.094 58.121 58.200 0.025 0.000 0.963 745 S CB 0.303 63.514 63.200 0.018 0.000 0.865 745 S HN 0.396 nan 8.310 nan 0.000 0.488 746 A N 2.436 125.273 122.820 0.030 0.000 2.274 746 A HA 0.703 5.023 4.320 -0.000 0.000 0.309 746 A C 0.398 177.922 177.584 -0.100 0.000 1.226 746 A CA -0.385 51.633 52.037 -0.032 0.000 0.853 746 A CB 0.327 19.301 19.000 -0.044 0.000 1.146 746 A HN 0.327 nan 8.150 nan 0.000 0.518 747 T N -0.087 114.383 114.554 -0.139 0.000 2.821 747 T HA 0.687 5.037 4.350 -0.000 0.000 0.306 747 T C -0.839 173.852 174.700 -0.015 0.000 1.313 747 T CA -0.713 61.276 62.100 -0.183 0.000 1.012 747 T CB 0.882 69.524 68.868 -0.376 0.000 1.298 747 T HN 0.470 nan 8.240 nan 0.000 0.502 748 L N 1.332 122.588 121.223 0.056 0.000 2.354 748 L HA 0.737 5.077 4.340 -0.000 0.000 0.269 748 L C -1.328 175.722 176.870 0.299 0.000 1.005 748 L CA -1.109 53.836 54.840 0.176 0.000 0.819 748 L CB 2.129 44.262 42.059 0.124 0.000 1.311 748 L HN 0.735 nan 8.230 nan 0.000 0.423 749 F N 3.860 123.899 119.950 0.148 0.000 2.426 749 F HA 0.657 5.183 4.527 -0.000 0.000 0.348 749 F C -0.418 175.393 175.800 0.019 0.000 1.124 749 F CA -0.719 57.294 58.000 0.022 0.000 1.008 749 F CB 1.342 40.366 39.000 0.040 0.000 1.139 749 F HN 0.114 nan 8.300 nan 0.000 0.452 750 V N 2.721 122.297 119.914 -0.563 0.000 3.160 750 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 750 V C -1.608 174.161 176.094 -0.542 0.000 1.181 750 V CA -1.196 60.853 62.300 -0.418 0.000 1.047 750 V CB 1.956 33.707 31.823 -0.120 0.000 1.068 750 V HN 0.742 nan 8.190 nan 0.000 0.441 751 K N 1.732 121.901 120.400 -0.385 0.000 2.559 751 K HA 0.721 5.041 4.320 -0.000 0.000 0.249 751 K C -1.528 174.882 176.600 -0.318 0.000 0.958 751 K CA -0.376 55.621 56.287 -0.483 0.000 0.901 751 K CB 1.087 33.240 32.500 -0.578 0.000 1.124 751 K HN 0.792 nan 8.250 nan 0.000 0.437 752 I N 2.915 123.305 120.570 -0.299 0.000 2.359 752 I HA 0.347 4.517 4.170 -0.000 0.000 0.294 752 I C -0.452 175.523 176.117 -0.237 0.000 0.987 752 I CA -0.300 60.873 61.300 -0.211 0.000 1.225 752 I CB 1.921 39.805 38.000 -0.194 0.000 1.366 752 I HN 0.672 nan 8.210 nan 0.000 0.466 753 S N 7.594 123.186 115.700 -0.181 0.000 2.571 753 S HA 0.715 5.185 4.470 -0.000 0.000 0.284 753 S C -1.029 173.505 174.600 -0.111 0.000 1.128 753 S CA -0.618 57.481 58.200 -0.168 0.000 0.970 753 S CB 1.030 64.132 63.200 -0.165 0.000 1.039 753 S HN 0.468 nan 8.310 nan 0.000 0.485 754 I N 3.988 124.492 120.570 -0.109 0.000 2.447 754 I HA 0.471 4.641 4.170 -0.000 0.000 0.287 754 I C -0.474 175.640 176.117 -0.006 0.000 1.023 754 I CA -0.392 60.883 61.300 -0.042 0.000 1.083 754 I CB 1.896 39.837 38.000 -0.099 0.000 1.245 754 I HN 0.717 nan 8.210 nan 0.000 0.434 755 Q N 5.715 125.534 119.800 0.032 0.000 2.347 755 Q HA 0.386 4.726 4.340 -0.000 0.000 0.271 755 Q C -1.719 174.305 176.000 0.041 0.000 1.064 755 Q CA -0.708 55.108 55.803 0.023 0.000 0.800 755 Q CB 2.794 31.533 28.738 0.002 0.000 1.304 755 Q HN 0.625 nan 8.270 nan 0.000 0.438 756 D N 0.000 120.419 120.400 0.032 0.000 6.856 756 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 756 D CA 0.000 54.013 54.000 0.022 0.000 0.868 756 D CB 0.000 40.810 40.800 0.017 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683