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 1zdt_1_B DATA FIRST_RESID 221 DATA SEQUENCE PNVPELILQL LQLEPDEDQV RARILGSLQE PTKSRPDQPA AFGLLCRMAD DATA SEQUENCE QTFISIVDWA RRCMVFKELE VADQMTLLQN CWSELLVFDH IYRQVQHGKE DATA SEQUENCE GSILLVTGQE VELTTVATQA GSLLHSLVLR AQELVLQLLA LQLDRQEFVC DATA SEQUENCE LKFIILFSLD LKFLNNHILV KDAQEKANAA LLDYTLCHYP HSGDKFQQLL DATA SEQUENCE LCLVEVRALS MQAKEYLYHK HLGNEMPRNN LLIEMLQAK 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 221 P HA 0.000 nan 4.420 nan 0.000 0.216 221 P C 0.000 177.382 177.300 0.136 0.000 1.155 221 P CA 0.000 63.155 63.100 0.091 0.000 0.800 221 P CB 0.000 31.719 31.700 0.031 0.000 0.726 222 N N -1.369 117.391 118.700 0.100 0.000 2.708 222 N HA 0.020 4.760 4.740 -0.000 0.000 0.255 222 N C -0.805 174.887 175.510 0.302 0.000 1.046 222 N CA 0.263 53.386 53.050 0.121 0.000 0.715 222 N CB -1.743 36.739 38.487 -0.008 0.000 0.895 222 N HN 0.179 nan 8.380 nan 0.000 0.545 223 V N -0.354 119.697 119.914 0.227 0.000 2.483 223 V HA 0.500 4.620 4.120 -0.000 0.000 0.297 223 V C -1.926 174.238 176.094 0.116 0.000 1.027 223 V CA -1.648 60.789 62.300 0.228 0.000 0.855 223 V CB 1.794 33.713 31.823 0.160 0.000 0.995 223 V HN 0.042 nan 8.190 nan 0.000 0.424 224 P HA 0.087 nan 4.420 nan 0.000 0.265 224 P C 0.812 178.104 177.300 -0.014 0.000 1.193 224 P CA 0.061 63.181 63.100 0.034 0.000 0.765 224 P CB 0.884 32.602 31.700 0.029 0.000 0.823 225 E N 3.712 123.899 120.200 -0.023 0.000 2.114 225 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 225 E C 1.559 178.111 176.600 -0.081 0.000 1.008 225 E CA 1.413 57.788 56.400 -0.041 0.000 0.810 225 E CB -0.767 28.911 29.700 -0.037 0.000 0.739 225 E HN 0.408 nan 8.360 nan 0.000 0.456 226 L N 0.154 121.309 121.223 -0.113 0.000 1.990 226 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 226 L C 2.453 179.201 176.870 -0.203 0.000 1.072 226 L CA 2.030 56.751 54.840 -0.200 0.000 0.755 226 L CB -0.472 41.444 42.059 -0.239 0.000 0.889 226 L HN 0.324 nan 8.230 nan 0.000 0.432 227 I N -0.344 120.130 120.570 -0.161 0.000 2.226 227 I HA -0.369 3.801 4.170 -0.000 0.000 0.245 227 I C 2.535 178.581 176.117 -0.119 0.000 1.100 227 I CA 1.176 62.377 61.300 -0.166 0.000 1.374 227 I CB -0.210 37.663 38.000 -0.212 0.000 1.057 227 I HN 0.298 nan 8.210 nan 0.000 0.413 228 L N 0.031 121.204 121.223 -0.083 0.000 2.083 228 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 228 L C 2.647 179.494 176.870 -0.039 0.000 1.083 228 L CA 1.451 56.263 54.840 -0.047 0.000 0.752 228 L CB -0.583 41.462 42.059 -0.024 0.000 0.899 228 L HN 0.326 nan 8.230 nan 0.000 0.433 229 Q N -0.230 119.535 119.800 -0.059 0.000 2.119 229 Q HA -0.160 4.180 4.340 -0.000 0.000 0.201 229 Q C 2.363 178.347 176.000 -0.028 0.000 0.972 229 Q CA 1.172 56.945 55.803 -0.049 0.000 0.847 229 Q CB -0.135 28.554 28.738 -0.082 0.000 0.903 229 Q HN 0.515 nan 8.270 nan 0.000 0.433 230 L N 0.326 121.518 121.223 -0.051 0.000 2.141 230 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 230 L C 2.202 179.111 176.870 0.066 0.000 1.094 230 L CA 0.754 55.613 54.840 0.032 0.000 0.763 230 L CB -0.287 41.765 42.059 -0.012 0.000 0.908 230 L HN 0.238 nan 8.230 nan 0.000 0.437 231 L N -0.848 120.383 121.223 0.012 0.000 2.141 231 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 231 L C 2.557 179.456 176.870 0.049 0.000 1.094 231 L CA 1.134 55.990 54.840 0.027 0.000 0.763 231 L CB -0.370 41.690 42.059 0.002 0.000 0.908 231 L HN 0.328 nan 8.230 nan 0.000 0.437 232 Q N -0.377 119.448 119.800 0.042 0.000 2.230 232 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 232 Q C 1.996 178.040 176.000 0.073 0.000 0.963 232 Q CA 0.963 56.794 55.803 0.046 0.000 0.866 232 Q CB 0.145 28.899 28.738 0.027 0.000 0.931 232 Q HN 0.539 nan 8.270 nan 0.000 0.452 233 L N 0.069 121.358 121.223 0.110 0.000 2.585 233 L HA 0.126 4.466 4.340 -0.000 0.000 0.226 233 L C 0.419 177.456 176.870 0.279 0.000 1.113 233 L CA -0.260 54.683 54.840 0.172 0.000 0.876 233 L CB 0.374 42.530 42.059 0.161 0.000 1.072 233 L HN 0.042 nan 8.230 nan 0.000 0.468 234 E N 2.337 122.655 120.200 0.197 0.000 2.351 234 E HA 0.131 4.481 4.350 -0.000 0.000 0.266 234 E C -2.152 174.512 176.600 0.105 0.000 1.031 234 E CA -2.030 54.448 56.400 0.129 0.000 0.911 234 E CB 0.470 30.217 29.700 0.079 0.000 0.986 234 E HN -0.074 nan 8.360 nan 0.000 0.446 235 P HA -0.017 nan 4.420 nan 0.000 0.264 235 P C -0.832 176.501 177.300 0.055 0.000 1.183 235 P CA -0.002 63.141 63.100 0.071 0.000 0.763 235 P CB 0.424 32.156 31.700 0.054 0.000 0.807 236 D N 1.639 122.068 120.400 0.048 0.000 2.383 236 D HA -0.036 4.604 4.640 -0.000 0.000 0.252 236 D C 1.150 177.466 176.300 0.027 0.000 1.166 236 D CA 0.063 54.086 54.000 0.038 0.000 0.879 236 D CB 0.679 41.498 40.800 0.032 0.000 1.164 236 D HN 0.308 nan 8.370 nan 0.000 0.462 237 E N 2.660 122.872 120.200 0.020 0.000 2.110 237 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 237 E C 0.829 177.429 176.600 0.001 0.000 0.988 237 E CA 1.566 57.970 56.400 0.006 0.000 0.804 237 E CB 0.117 29.810 29.700 -0.011 0.000 0.745 237 E HN 0.514 nan 8.360 nan 0.000 0.458 238 D N 0.033 120.434 120.400 0.003 0.000 2.144 238 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 238 D C 1.890 178.194 176.300 0.007 0.000 0.978 238 D CA 0.931 54.932 54.000 0.002 0.000 0.833 238 D CB -0.179 40.623 40.800 0.003 0.000 0.961 238 D HN 0.400 nan 8.370 nan 0.000 0.470 239 Q N 0.275 120.083 119.800 0.013 0.000 2.083 239 Q HA -0.070 4.270 4.340 -0.000 0.000 0.198 239 Q C 2.375 178.385 176.000 0.017 0.000 0.969 239 Q CA 0.756 56.569 55.803 0.016 0.000 0.838 239 Q CB -0.100 28.651 28.738 0.022 0.000 0.900 239 Q HN 0.169 nan 8.270 nan 0.000 0.436 240 V N 0.958 120.883 119.914 0.018 0.000 2.490 240 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 240 V C 2.303 178.406 176.094 0.014 0.000 1.061 240 V CA 1.919 64.231 62.300 0.019 0.000 1.064 240 V CB -0.397 31.440 31.823 0.023 0.000 0.670 240 V HN 0.294 nan 8.190 nan 0.000 0.461 241 R N -0.021 120.483 120.500 0.007 0.000 2.062 241 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 241 R C 2.348 178.651 176.300 0.005 0.000 1.136 241 R CA 1.776 57.878 56.100 0.002 0.000 0.948 241 R CB -0.698 29.599 30.300 -0.005 0.000 0.845 241 R HN 0.583 nan 8.270 nan 0.000 0.430 242 A N 1.072 123.896 122.820 0.006 0.000 1.902 242 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 242 A C 2.225 179.814 177.584 0.009 0.000 1.181 242 A CA 1.497 53.539 52.037 0.007 0.000 0.623 242 A CB -0.570 18.435 19.000 0.007 0.000 0.818 242 A HN 0.409 nan 8.150 nan 0.000 0.443 243 R N -0.346 120.161 120.500 0.012 0.000 2.080 243 R HA -0.105 4.235 4.340 -0.000 0.000 0.236 243 R C 1.985 178.293 176.300 0.014 0.000 1.137 243 R CA 1.990 58.098 56.100 0.014 0.000 0.943 243 R CB -0.399 29.911 30.300 0.017 0.000 0.846 243 R HN 0.567 nan 8.270 nan 0.000 0.431 244 I N 0.341 120.920 120.570 0.015 0.000 2.202 244 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 244 I C 2.013 178.136 176.117 0.011 0.000 1.091 244 I CA 0.631 61.940 61.300 0.015 0.000 1.368 244 I CB -0.235 37.776 38.000 0.017 0.000 1.058 244 I HN 0.207 nan 8.210 nan 0.000 0.410 245 L N 0.990 122.217 121.223 0.008 0.000 2.043 245 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 245 L C 2.509 179.383 176.870 0.006 0.000 1.075 245 L CA 2.255 57.098 54.840 0.005 0.000 0.752 245 L CB -1.626 40.435 42.059 0.003 0.000 0.891 245 L HN 0.259 nan 8.230 nan 0.000 0.432 246 G N -2.715 106.089 108.800 0.008 0.000 2.408 246 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 246 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 246 G C 1.823 176.728 174.900 0.009 0.000 1.150 246 G CA 0.920 46.025 45.100 0.008 0.000 0.776 246 G HN 0.426 nan 8.290 nan 0.000 0.542 247 S N -0.075 115.632 115.700 0.011 0.000 2.402 247 S HA 0.067 4.537 4.470 -0.000 0.000 0.229 247 S C 2.205 176.811 174.600 0.010 0.000 1.021 247 S CA 0.484 58.691 58.200 0.011 0.000 0.974 247 S CB -0.218 62.991 63.200 0.015 0.000 0.800 247 S HN 0.307 nan 8.310 nan 0.000 0.484 248 L N 0.987 122.215 121.223 0.008 0.000 2.610 248 L HA 0.113 4.453 4.340 -0.000 0.000 0.232 248 L C 2.176 179.049 176.870 0.007 0.000 1.149 248 L CA 0.295 55.139 54.840 0.006 0.000 0.872 248 L CB -0.199 41.862 42.059 0.004 0.000 0.992 248 L HN 0.271 nan 8.230 nan 0.000 0.447 249 Q N 0.076 119.880 119.800 0.007 0.000 2.402 249 Q HA 0.090 4.430 4.340 -0.000 0.000 0.206 249 Q C 0.254 176.258 176.000 0.008 0.000 0.919 249 Q CA 0.265 56.072 55.803 0.007 0.000 0.923 249 Q CB 0.283 29.025 28.738 0.007 0.000 1.048 249 Q HN 0.517 nan 8.270 nan 0.000 0.515 250 E N 2.167 122.371 120.200 0.008 0.000 2.413 250 E HA 0.061 4.411 4.350 -0.000 0.000 0.263 250 E C -2.202 174.404 176.600 0.008 0.000 1.015 250 E CA -1.350 55.055 56.400 0.008 0.000 0.916 250 E CB 0.183 29.888 29.700 0.009 0.000 0.947 250 E HN 0.020 nan 8.360 nan 0.000 0.440 251 P HA 0.035 nan 4.420 nan 0.000 0.276 251 P C -0.246 177.060 177.300 0.009 0.000 1.235 251 P CA -0.056 63.049 63.100 0.009 0.000 0.772 251 P CB 1.257 32.962 31.700 0.008 0.000 0.871 252 T N 1.267 115.827 114.554 0.011 0.000 3.246 252 T HA 0.153 4.503 4.350 -0.000 0.000 0.231 252 T C 0.423 175.130 174.700 0.012 0.000 0.986 252 T CA 0.696 62.804 62.100 0.012 0.000 1.340 252 T CB 0.089 68.966 68.868 0.015 0.000 1.063 252 T HN 0.338 nan 8.240 nan 0.000 0.427 253 K N -0.164 120.243 120.400 0.013 0.000 2.670 253 K HA 0.325 4.645 4.320 -0.000 0.000 0.289 253 K C -1.631 174.976 176.600 0.012 0.000 1.045 253 K CA -0.414 55.880 56.287 0.011 0.000 0.834 253 K CB 1.623 34.130 32.500 0.011 0.000 1.531 253 K HN 0.128 nan 8.250 nan 0.000 0.376 254 S N 1.251 116.957 115.700 0.010 0.000 2.921 254 S HA 0.315 4.785 4.470 -0.000 0.000 0.244 254 S C -0.656 173.949 174.600 0.009 0.000 1.291 254 S CA -0.426 57.780 58.200 0.009 0.000 1.010 254 S CB -0.142 63.062 63.200 0.007 0.000 1.255 254 S HN 0.361 nan 8.310 nan 0.000 0.492 255 R N 4.294 124.801 120.500 0.012 0.000 2.471 255 R HA 0.283 4.623 4.340 -0.000 0.000 0.292 255 R C -2.279 174.027 176.300 0.011 0.000 1.192 255 R CA -1.805 54.301 56.100 0.010 0.000 1.257 255 R CB 0.820 31.128 30.300 0.013 0.000 1.130 255 R HN 0.472 nan 8.270 nan 0.000 0.558 256 P HA 0.044 nan 4.420 nan 0.000 0.237 256 P C -0.817 176.483 177.300 0.001 0.000 1.723 256 P CA 0.215 63.319 63.100 0.006 0.000 0.882 256 P CB 0.387 32.090 31.700 0.004 0.000 1.810 257 D N -2.241 118.159 120.400 0.000 0.000 2.760 257 D HA 0.012 4.652 4.640 -0.000 0.000 0.285 257 D C 0.564 176.856 176.300 -0.013 0.000 1.178 257 D CA 0.258 54.252 54.000 -0.010 0.000 1.031 257 D CB -0.255 40.535 40.800 -0.016 0.000 1.544 257 D HN 0.083 nan 8.370 nan 0.000 0.468 258 Q N 1.545 121.343 119.800 -0.004 0.000 2.259 258 Q HA 0.402 4.742 4.340 -0.000 0.000 0.246 258 Q C -2.301 173.719 176.000 0.034 0.000 0.920 258 Q CA -1.527 54.277 55.803 0.001 0.000 0.895 258 Q CB 0.930 29.679 28.738 0.018 0.000 1.220 258 Q HN 0.061 nan 8.270 nan 0.000 0.439 259 P HA 0.037 nan 4.420 nan 0.000 0.267 259 P C -0.026 177.344 177.300 0.117 0.000 1.209 259 P CA 0.177 63.323 63.100 0.076 0.000 0.763 259 P CB 0.611 32.365 31.700 0.090 0.000 0.816 260 A N 4.431 127.299 122.820 0.080 0.000 1.908 260 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 260 A C 2.105 179.739 177.584 0.083 0.000 1.181 260 A CA 2.132 54.212 52.037 0.072 0.000 0.627 260 A CB -1.440 17.587 19.000 0.045 0.000 0.818 260 A HN 0.542 nan 8.150 nan 0.000 0.445 261 A N -1.758 121.116 122.820 0.090 0.000 2.015 261 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 261 A C 1.962 179.609 177.584 0.105 0.000 1.163 261 A CA 1.391 53.476 52.037 0.080 0.000 0.646 261 A CB -0.628 18.417 19.000 0.074 0.000 0.806 261 A HN 0.652 nan 8.150 nan 0.000 0.448 262 F N 1.063 121.032 119.950 0.032 0.000 2.113 262 F HA 0.014 4.541 4.527 -0.000 0.000 0.297 262 F C 2.294 178.118 175.800 0.041 0.000 1.103 262 F CA 1.515 59.541 58.000 0.044 0.000 1.248 262 F CB -0.656 38.370 39.000 0.043 0.000 0.999 262 F HN 0.209 nan 8.300 nan 0.000 0.475 263 G N 1.160 110.005 108.800 0.076 0.000 2.418 263 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 263 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 263 G C 1.751 176.604 174.900 -0.079 0.000 1.158 263 G CA 0.772 45.862 45.100 -0.017 0.000 0.771 263 G HN 0.424 nan 8.290 nan 0.000 0.545 264 L N 0.178 121.377 121.223 -0.040 0.000 2.012 264 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 264 L C 2.806 179.636 176.870 -0.068 0.000 1.073 264 L CA 1.682 56.501 54.840 -0.035 0.000 0.748 264 L CB -0.553 41.502 42.059 -0.007 0.000 0.891 264 L HN 0.253 nan 8.230 nan 0.000 0.431 265 L N -1.177 119.979 121.223 -0.111 0.000 2.156 265 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 265 L C 2.801 179.573 176.870 -0.164 0.000 1.095 265 L CA 0.803 55.570 54.840 -0.121 0.000 0.770 265 L CB -0.604 41.379 42.059 -0.126 0.000 0.914 265 L HN 0.342 nan 8.230 nan 0.000 0.439 266 C N -0.144 118.986 119.300 -0.285 0.000 2.413 266 C HA -0.153 4.307 4.460 -0.000 0.000 0.276 266 C C 2.968 177.900 174.990 -0.097 0.000 1.248 266 C CA 0.795 59.671 59.018 -0.237 0.000 1.742 266 C CB -0.928 26.614 27.740 -0.330 0.000 2.017 266 C HN 0.434 nan 8.230 nan 0.000 0.481 267 R N 0.051 120.507 120.500 -0.074 0.000 2.092 267 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 267 R C 2.327 178.625 176.300 -0.003 0.000 1.119 267 R CA 1.385 57.470 56.100 -0.024 0.000 0.970 267 R CB -0.416 29.875 30.300 -0.015 0.000 0.864 267 R HN 0.615 nan 8.270 nan 0.000 0.440 268 M N 0.248 119.840 119.600 -0.014 0.000 2.159 268 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 268 M C 2.036 178.354 176.300 0.030 0.000 1.063 268 M CA 2.017 57.320 55.300 0.005 0.000 1.110 268 M CB -0.063 32.532 32.600 -0.008 0.000 1.374 268 M HN 0.180 nan 8.290 nan 0.000 0.411 269 A N -0.155 122.681 122.820 0.026 0.000 1.970 269 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 269 A C 1.573 179.229 177.584 0.120 0.000 1.170 269 A CA 1.701 53.779 52.037 0.068 0.000 0.645 269 A CB -0.683 18.346 19.000 0.047 0.000 0.816 269 A HN 0.523 nan 8.150 nan 0.000 0.447 270 D N -0.313 120.139 120.400 0.087 0.000 2.097 270 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 270 D C 2.073 178.464 176.300 0.152 0.000 0.989 270 D CA 1.185 55.258 54.000 0.121 0.000 0.827 270 D CB -0.138 40.699 40.800 0.062 0.000 0.966 270 D HN 0.278 nan 8.370 nan 0.000 0.456 271 Q N -0.255 119.602 119.800 0.095 0.000 2.230 271 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 271 Q C 2.096 178.148 176.000 0.086 0.000 0.963 271 Q CA 0.809 56.658 55.803 0.076 0.000 0.866 271 Q CB -0.429 28.337 28.738 0.046 0.000 0.931 271 Q HN 0.312 nan 8.270 nan 0.000 0.452 272 T N 0.729 115.352 114.554 0.114 0.000 2.812 272 T HA -0.086 4.264 4.350 -0.000 0.000 0.264 272 T C 1.438 176.233 174.700 0.159 0.000 1.042 272 T CA 0.793 62.965 62.100 0.120 0.000 1.140 272 T CB -0.319 68.627 68.868 0.130 0.000 0.870 272 T HN 0.208 nan 8.240 nan 0.000 0.445 273 F N 1.643 121.639 119.950 0.077 0.000 2.146 273 F HA 0.065 4.592 4.527 -0.000 0.000 0.298 273 F C 1.921 177.770 175.800 0.082 0.000 1.096 273 F CA 0.470 58.529 58.000 0.098 0.000 1.275 273 F CB -0.543 38.526 39.000 0.116 0.000 1.008 273 F HN 0.060 nan 8.300 nan 0.000 0.480 274 I N -0.534 120.023 120.570 -0.021 0.000 2.194 274 I HA -0.373 3.797 4.170 -0.000 0.000 0.246 274 I C 2.750 178.807 176.117 -0.101 0.000 1.093 274 I CA 1.767 63.009 61.300 -0.096 0.000 1.355 274 I CB -0.691 37.314 38.000 0.008 0.000 1.046 274 I HN 0.250 nan 8.210 nan 0.000 0.413 275 S N 0.744 116.423 115.700 -0.035 0.000 2.402 275 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 275 S C 2.028 176.634 174.600 0.010 0.000 1.021 275 S CA 1.032 59.232 58.200 0.001 0.000 0.974 275 S CB -0.303 62.912 63.200 0.026 0.000 0.800 275 S HN 0.366 nan 8.310 nan 0.000 0.484 276 I N 0.962 121.506 120.570 -0.043 0.000 2.252 276 I HA -0.096 4.074 4.170 -0.000 0.000 0.245 276 I C 2.295 178.411 176.117 -0.002 0.000 1.102 276 I CA 0.806 62.109 61.300 0.006 0.000 1.385 276 I CB -0.260 37.730 38.000 -0.018 0.000 1.064 276 I HN 0.196 nan 8.210 nan 0.000 0.414 277 V N 0.763 120.509 119.914 -0.280 0.000 2.343 277 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 277 V C 2.148 178.169 176.094 -0.122 0.000 1.051 277 V CA 2.391 64.533 62.300 -0.264 0.000 1.036 277 V CB -0.656 30.959 31.823 -0.346 0.000 0.654 277 V HN 0.489 nan 8.190 nan 0.000 0.451 278 D N -1.227 119.141 120.400 -0.055 0.000 2.144 278 D HA -0.269 4.371 4.640 -0.000 0.000 0.199 278 D C 1.891 178.209 176.300 0.031 0.000 0.984 278 D CA 1.537 55.533 54.000 -0.007 0.000 0.834 278 D CB -0.237 40.573 40.800 0.016 0.000 0.955 278 D HN 0.579 nan 8.370 nan 0.000 0.465 279 W N 1.313 122.548 121.300 -0.108 0.000 2.335 279 W HA -0.150 4.510 4.660 0.000 0.000 0.311 279 W C 2.170 178.608 176.519 -0.134 0.000 1.213 279 W CA 2.461 59.752 57.345 -0.090 0.000 1.274 279 W CB -0.710 28.704 29.460 -0.077 0.000 1.148 279 W HN 0.022 nan 8.180 nan 0.000 0.498 280 A N 1.655 124.143 122.820 -0.553 0.000 1.877 280 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 280 A C 2.014 179.105 177.584 -0.822 0.000 1.186 280 A CA 2.381 53.715 52.037 -1.171 0.000 0.620 280 A CB -1.086 17.222 19.000 -1.153 0.000 0.822 280 A HN 0.564 nan 8.150 nan 0.000 0.443 281 R N -0.430 119.855 120.500 -0.359 0.000 2.193 281 R HA -0.038 4.302 4.340 -0.000 0.000 0.229 281 R C 1.820 178.119 176.300 -0.000 0.000 1.110 281 R CA 1.596 57.698 56.100 0.003 0.000 0.988 281 R CB -0.363 29.966 30.300 0.049 0.000 0.871 281 R HN 0.460 nan 8.270 nan 0.000 0.458 282 R N -0.018 120.414 120.500 -0.114 0.000 2.246 282 R HA 0.171 4.511 4.340 -0.000 0.000 0.199 282 R C 0.297 176.544 176.300 -0.090 0.000 0.984 282 R CA 0.108 56.164 56.100 -0.074 0.000 1.015 282 R CB 0.058 30.319 30.300 -0.064 0.000 0.930 282 R HN 0.113 nan 8.270 nan 0.000 0.475 283 C N 1.934 121.112 119.300 -0.204 0.000 2.689 283 C HA 0.100 4.559 4.460 -0.000 0.000 0.409 283 C C 0.737 175.788 174.990 0.101 0.000 1.293 283 C CA -0.704 58.247 59.018 -0.111 0.000 2.136 283 C CB -0.075 27.527 27.740 -0.231 0.000 2.719 283 C HN 0.322 nan 8.230 nan 0.000 0.644 284 M N 2.804 122.484 119.600 0.134 0.000 2.252 284 M HA 0.147 4.627 4.480 -0.000 0.000 0.329 284 M C 1.147 177.610 176.300 0.272 0.000 1.101 284 M CA 1.067 56.450 55.300 0.138 0.000 1.117 284 M CB -0.186 32.436 32.600 0.036 0.000 1.563 284 M HN 0.659 nan 8.290 nan 0.000 0.445 285 V N 0.211 120.230 119.914 0.175 0.000 0.550 285 V HA -0.424 3.696 4.120 -0.000 0.000 0.092 285 V C 1.398 177.656 176.094 0.274 0.000 2.065 285 V CA 2.268 64.672 62.300 0.174 0.000 3.496 285 V CB -2.117 29.743 31.823 0.063 0.000 0.788 285 V HN 0.914 nan 8.190 nan 0.000 0.820 286 F N 2.735 122.882 119.950 0.328 0.000 2.111 286 F HA -0.300 4.227 4.527 0.000 0.000 0.300 286 F C 2.506 178.316 175.800 0.017 0.000 1.088 286 F CA 2.955 61.039 58.000 0.141 0.000 1.243 286 F CB -0.164 38.805 39.000 -0.053 0.000 0.996 286 F HN 0.575 nan 8.300 nan 0.000 0.483 287 K N -0.598 119.929 120.400 0.212 0.000 2.362 287 K HA -0.114 4.206 4.320 -0.000 0.000 0.200 287 K C 1.198 177.805 176.600 0.011 0.000 1.046 287 K CA 1.498 57.845 56.287 0.099 0.000 0.952 287 K CB -0.345 32.207 32.500 0.087 0.000 0.753 287 K HN 0.289 nan 8.250 nan 0.000 0.466 288 E N 0.748 120.951 120.200 0.005 0.000 2.447 288 E HA 0.067 4.417 4.350 -0.000 0.000 0.195 288 E C 0.061 176.622 176.600 -0.065 0.000 1.028 288 E CA -0.049 56.339 56.400 -0.021 0.000 0.876 288 E CB 0.061 29.759 29.700 -0.003 0.000 0.885 288 E HN 0.166 nan 8.360 nan 0.000 0.500 289 L N 3.144 124.293 121.223 -0.124 0.000 2.426 289 L HA 0.003 4.343 4.340 -0.000 0.000 0.271 289 L C 1.092 177.844 176.870 -0.196 0.000 1.169 289 L CA 0.141 54.864 54.840 -0.194 0.000 0.836 289 L CB 0.378 42.224 42.059 -0.355 0.000 1.112 289 L HN 0.055 nan 8.230 nan 0.000 0.465 290 E N 2.202 122.310 120.200 -0.154 0.000 2.371 290 E HA 0.096 4.446 4.350 -0.000 0.000 0.257 290 E C 0.684 177.192 176.600 -0.154 0.000 1.134 290 E CA -0.651 55.674 56.400 -0.125 0.000 0.919 290 E CB 0.737 30.386 29.700 -0.086 0.000 1.025 290 E HN 0.287 nan 8.360 nan 0.000 0.438 291 V N 1.729 121.578 119.914 -0.108 0.000 2.469 291 V HA -0.325 3.795 4.120 -0.000 0.000 0.251 291 V C 2.385 178.423 176.094 -0.093 0.000 1.064 291 V CA 2.519 64.762 62.300 -0.095 0.000 1.066 291 V CB -1.128 30.667 31.823 -0.046 0.000 0.667 291 V HN 0.836 nan 8.190 nan 0.000 0.461 292 A N -0.206 122.567 122.820 -0.080 0.000 1.883 292 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 292 A C 2.073 179.607 177.584 -0.083 0.000 1.186 292 A CA 2.175 54.176 52.037 -0.061 0.000 0.624 292 A CB -0.632 18.340 19.000 -0.048 0.000 0.822 292 A HN 0.523 nan 8.150 nan 0.000 0.444 293 D N -0.721 119.599 120.400 -0.134 0.000 2.144 293 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 293 D C 2.226 178.380 176.300 -0.244 0.000 0.978 293 D CA 1.153 55.052 54.000 -0.168 0.000 0.833 293 D CB -0.368 40.317 40.800 -0.193 0.000 0.961 293 D HN 0.596 nan 8.370 nan 0.000 0.470 294 Q N -0.291 119.286 119.800 -0.372 0.000 2.096 294 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 294 Q C 2.273 178.258 176.000 -0.026 0.000 0.982 294 Q CA 1.118 56.623 55.803 -0.496 0.000 0.850 294 Q CB -0.083 28.348 28.738 -0.512 0.000 0.901 294 Q HN 0.359 nan 8.270 nan 0.000 0.422 295 M N -0.615 118.976 119.600 -0.015 0.000 2.200 295 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 295 M C 2.150 178.492 176.300 0.069 0.000 1.066 295 M CA 1.205 56.539 55.300 0.056 0.000 1.127 295 M CB -0.155 32.463 32.600 0.031 0.000 1.379 295 M HN 0.125 nan 8.290 nan 0.000 0.420 296 T N 1.375 115.946 114.554 0.028 0.000 2.708 296 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 296 T C 1.843 176.574 174.700 0.051 0.000 1.037 296 T CA 1.130 63.259 62.100 0.048 0.000 1.146 296 T CB -0.299 68.582 68.868 0.022 0.000 0.865 296 T HN 0.283 nan 8.240 nan 0.000 0.435 297 L N 0.399 121.625 121.223 0.006 0.000 1.994 297 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 297 L C 2.532 179.449 176.870 0.077 0.000 1.071 297 L CA 1.311 56.143 54.840 -0.013 0.000 0.745 297 L CB -0.625 41.386 42.059 -0.081 0.000 0.892 297 L HN 0.242 nan 8.230 nan 0.000 0.431 298 L N -0.780 120.539 121.223 0.160 0.000 2.127 298 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 298 L C 2.635 179.704 176.870 0.333 0.000 1.089 298 L CA 1.194 56.182 54.840 0.247 0.000 0.757 298 L CB -0.410 41.808 42.059 0.265 0.000 0.899 298 L HN 0.358 nan 8.230 nan 0.000 0.434 299 Q N -0.484 119.468 119.800 0.254 0.000 2.224 299 Q HA -0.211 4.129 4.340 -0.000 0.000 0.203 299 Q C 1.866 178.083 176.000 0.362 0.000 0.970 299 Q CA 1.596 57.576 55.803 0.295 0.000 0.865 299 Q CB -0.050 28.791 28.738 0.173 0.000 0.922 299 Q HN 0.468 nan 8.270 nan 0.000 0.445 300 N N -0.591 118.241 118.700 0.220 0.000 2.354 300 N HA -0.099 4.641 4.740 -0.000 0.000 0.179 300 N C 1.230 176.771 175.510 0.053 0.000 1.021 300 N CA 1.268 54.399 53.050 0.135 0.000 0.887 300 N CB 0.233 38.764 38.487 0.074 0.000 0.974 300 N HN 0.382 nan 8.380 nan 0.000 0.437 301 C N -0.635 118.714 119.300 0.081 0.000 3.525 301 C HA 0.436 4.896 4.460 -0.000 0.000 0.289 301 C C 2.217 177.222 174.990 0.026 0.000 1.496 301 C CA -1.059 57.956 59.018 -0.004 0.000 1.804 301 C CB -1.669 26.079 27.740 0.013 0.000 2.708 301 C HN 0.555 nan 8.230 nan 0.000 0.642 302 W N 3.235 124.588 121.300 0.090 0.000 2.335 302 W HA -0.126 4.534 4.660 -0.000 0.000 0.311 302 W C 1.926 178.455 176.519 0.017 0.000 1.213 302 W CA 1.872 59.282 57.345 0.108 0.000 1.274 302 W CB -1.779 27.579 29.460 -0.170 0.000 1.148 302 W HN 0.553 nan 8.180 nan 0.000 0.498 303 S N 1.066 116.146 115.700 -1.033 0.000 2.406 303 S HA -0.190 4.280 4.470 -0.000 0.000 0.228 303 S C 1.507 175.914 174.600 -0.321 0.000 1.020 303 S CA 1.425 59.105 58.200 -0.868 0.000 0.965 303 S CB -0.591 61.822 63.200 -1.311 0.000 0.798 303 S HN 0.221 nan 8.310 nan 0.000 0.488 304 E N 1.248 121.297 120.200 -0.253 0.000 2.077 304 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 304 E C 1.884 178.503 176.600 0.031 0.000 0.989 304 E CA 0.736 57.076 56.400 -0.101 0.000 0.800 304 E CB -0.365 29.263 29.700 -0.120 0.000 0.746 304 E HN 0.274 nan 8.360 nan 0.000 0.452 305 L N 0.067 121.335 121.223 0.074 0.000 2.056 305 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 305 L C 2.051 179.046 176.870 0.208 0.000 1.078 305 L CA 1.417 56.354 54.840 0.161 0.000 0.749 305 L CB -0.768 41.409 42.059 0.197 0.000 0.901 305 L HN 0.198 nan 8.230 nan 0.000 0.433 306 L N -1.908 119.436 121.223 0.201 0.000 2.046 306 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 306 L C 2.451 179.424 176.870 0.171 0.000 1.077 306 L CA 0.688 55.645 54.840 0.196 0.000 0.747 306 L CB -0.509 41.659 42.059 0.181 0.000 0.896 306 L HN 0.036 nan 8.230 nan 0.000 0.432 307 V N -0.542 119.453 119.914 0.135 0.000 2.255 307 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 307 V C 2.182 178.440 176.094 0.273 0.000 1.051 307 V CA 2.178 64.576 62.300 0.163 0.000 1.018 307 V CB -0.577 31.301 31.823 0.092 0.000 0.641 307 V HN 0.354 nan 8.190 nan 0.000 0.445 308 F N 0.979 120.990 119.950 0.101 0.000 2.171 308 F HA -0.220 4.307 4.527 0.000 0.000 0.300 308 F C 2.277 178.205 175.800 0.214 0.000 1.090 308 F CA 1.904 59.988 58.000 0.140 0.000 1.293 308 F CB -0.064 38.997 39.000 0.102 0.000 1.013 308 F HN 0.299 nan 8.300 nan 0.000 0.486 309 D N -0.770 119.766 120.400 0.226 0.000 2.104 309 D HA -0.327 4.313 4.640 -0.000 0.000 0.194 309 D C 2.100 178.435 176.300 0.059 0.000 0.994 309 D CA 1.890 55.971 54.000 0.136 0.000 0.830 309 D CB -0.256 40.634 40.800 0.149 0.000 0.959 309 D HN 0.458 nan 8.370 nan 0.000 0.452 310 H N -0.267 118.814 119.070 0.018 0.000 2.319 310 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 310 H C 1.984 177.278 175.328 -0.057 0.000 1.092 310 H CA 1.819 57.855 56.048 -0.021 0.000 1.302 310 H CB -0.228 29.535 29.762 0.002 0.000 1.373 310 H HN 0.166 nan 8.280 nan 0.000 0.497 311 I N -0.067 120.440 120.570 -0.104 0.000 2.179 311 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 311 I C 2.067 178.028 176.117 -0.260 0.000 1.088 311 I CA 1.446 62.647 61.300 -0.165 0.000 1.357 311 I CB -1.177 36.842 38.000 0.030 0.000 1.051 311 I HN 0.379 nan 8.210 nan 0.000 0.409 312 Y N 1.804 121.820 120.300 -0.473 0.000 2.314 312 Y HA -0.169 4.381 4.550 0.000 0.000 0.293 312 Y C 2.805 178.408 175.900 -0.495 0.000 1.129 312 Y CA 1.504 59.225 58.100 -0.633 0.000 1.201 312 Y CB -0.410 37.330 38.460 -1.201 0.000 0.999 312 Y HN 0.043 nan 8.280 nan 0.000 0.541 313 R N -0.255 119.983 120.500 -0.437 0.000 2.127 313 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 313 R C 1.862 177.940 176.300 -0.369 0.000 1.134 313 R CA 1.680 57.544 56.100 -0.394 0.000 0.975 313 R CB 0.018 30.164 30.300 -0.258 0.000 0.865 313 R HN 0.285 nan 8.270 nan 0.000 0.447 314 Q N -0.253 119.323 119.800 -0.374 0.000 2.187 314 Q HA -0.033 4.307 4.340 -0.000 0.000 0.199 314 Q C 2.183 178.058 176.000 -0.207 0.000 0.957 314 Q CA 1.004 56.660 55.803 -0.246 0.000 0.857 314 Q CB -0.170 28.400 28.738 -0.280 0.000 0.929 314 Q HN 0.223 nan 8.270 nan 0.000 0.453 315 V N 1.363 121.085 119.914 -0.321 0.000 2.295 315 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 315 V C 2.320 178.203 176.094 -0.353 0.000 1.049 315 V CA 1.820 63.932 62.300 -0.314 0.000 1.024 315 V CB -0.556 31.052 31.823 -0.359 0.000 0.648 315 V HN 0.392 nan 8.190 nan 0.000 0.447 316 Q N -0.853 118.633 119.800 -0.524 0.000 2.124 316 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 316 Q C 2.284 178.177 176.000 -0.178 0.000 0.977 316 Q CA 2.049 57.617 55.803 -0.392 0.000 0.850 316 Q CB -0.299 28.149 28.738 -0.485 0.000 0.901 316 Q HN 0.762 nan 8.270 nan 0.000 0.429 317 H N -0.085 118.834 119.070 -0.251 0.000 2.353 317 H HA -0.026 4.530 4.556 -0.000 0.000 0.300 317 H C 0.875 176.123 175.328 -0.134 0.000 1.090 317 H CA 1.606 57.552 56.048 -0.170 0.000 1.327 317 H CB -0.468 29.195 29.762 -0.166 0.000 1.383 317 H HN 0.378 nan 8.280 nan 0.000 0.508 318 G N 1.096 109.781 108.800 -0.192 0.000 2.338 318 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.296 318 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.296 318 G C -0.537 174.183 174.900 -0.299 0.000 1.040 318 G CA 0.721 45.695 45.100 -0.210 0.000 1.004 318 G HN 0.546 nan 8.290 nan 0.000 0.509 319 K N -0.652 119.502 120.400 -0.410 0.000 2.578 319 K HA 0.281 4.601 4.320 -0.000 0.000 0.250 319 K C 0.697 177.203 176.600 -0.156 0.000 0.955 319 K CA -0.738 55.340 56.287 -0.349 0.000 0.825 319 K CB 1.960 34.114 32.500 -0.576 0.000 1.151 319 K HN 0.213 nan 8.250 nan 0.000 0.432 320 E N 1.180 121.328 120.200 -0.086 0.000 2.204 320 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 320 E C 1.648 178.249 176.600 0.001 0.000 0.989 320 E CA 0.936 57.318 56.400 -0.031 0.000 0.824 320 E CB 0.189 29.872 29.700 -0.028 0.000 0.756 320 E HN 0.845 nan 8.360 nan 0.000 0.477 321 G N 0.771 109.569 108.800 -0.003 0.000 2.650 321 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.214 321 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.214 321 G C 0.535 175.466 174.900 0.052 0.000 1.136 321 G CA 0.630 45.742 45.100 0.020 0.000 0.789 321 G HN 0.259 nan 8.290 nan 0.000 0.536 322 S N -0.758 114.999 115.700 0.096 0.000 2.579 322 S HA 0.674 5.144 4.470 -0.000 0.000 0.272 322 S C -0.687 174.018 174.600 0.175 0.000 1.141 322 S CA -1.073 57.208 58.200 0.134 0.000 0.843 322 S CB 1.961 65.252 63.200 0.152 0.000 1.122 322 S HN 0.571 nan 8.310 nan 0.000 0.468 323 I N -0.351 120.261 120.570 0.070 0.000 2.498 323 I HA 0.798 4.968 4.170 -0.000 0.000 0.301 323 I C -1.058 174.946 176.117 -0.189 0.000 0.984 323 I CA -1.130 60.162 61.300 -0.014 0.000 1.204 323 I CB 1.301 39.350 38.000 0.081 0.000 1.362 323 I HN 0.598 nan 8.210 nan 0.000 0.471 324 L N 6.593 127.584 121.223 -0.387 0.000 2.296 324 L HA 0.588 4.928 4.340 -0.000 0.000 0.286 324 L C -0.700 176.058 176.870 -0.187 0.000 1.023 324 L CA -0.293 54.283 54.840 -0.440 0.000 0.812 324 L CB 1.259 42.847 42.059 -0.786 0.000 1.223 324 L HN 0.638 nan 8.230 nan 0.000 0.421 325 L N 4.722 125.880 121.223 -0.108 0.000 2.416 325 L HA 0.374 4.714 4.340 -0.000 0.000 0.262 325 L C 1.230 178.071 176.870 -0.048 0.000 1.093 325 L CA -0.718 54.101 54.840 -0.035 0.000 0.801 325 L CB 1.239 43.287 42.059 -0.017 0.000 1.191 325 L HN 0.473 nan 8.230 nan 0.000 0.459 326 V N 0.602 120.507 119.914 -0.016 0.000 2.759 326 V HA -0.201 3.919 4.120 -0.000 0.000 0.256 326 V C 2.264 178.347 176.094 -0.018 0.000 1.080 326 V CA 2.303 64.592 62.300 -0.017 0.000 1.101 326 V CB -0.375 31.453 31.823 0.008 0.000 0.698 326 V HN 1.095 nan 8.190 nan 0.000 0.477 327 T N -2.753 111.791 114.554 -0.017 0.000 3.035 327 T HA 0.161 4.511 4.350 -0.000 0.000 0.268 327 T C 1.658 176.344 174.700 -0.023 0.000 1.109 327 T CA 1.178 63.269 62.100 -0.015 0.000 1.119 327 T CB 0.132 68.994 68.868 -0.011 0.000 0.900 327 T HN 1.227 nan 8.240 nan 0.000 0.503 328 G N 1.303 110.079 108.800 -0.039 0.000 2.195 328 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.224 328 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.224 328 G C -0.010 174.860 174.900 -0.049 0.000 0.990 328 G CA -0.040 45.032 45.100 -0.046 0.000 0.639 328 G HN 0.989 nan 8.290 nan 0.000 0.514 329 Q N 0.743 120.517 119.800 -0.042 0.000 2.327 329 Q HA 0.631 4.971 4.340 -0.000 0.000 0.254 329 Q C -0.537 175.429 176.000 -0.056 0.000 0.952 329 Q CA -0.127 55.655 55.803 -0.035 0.000 0.884 329 Q CB 1.523 30.250 28.738 -0.018 0.000 1.224 329 Q HN 0.441 nan 8.270 nan 0.000 0.422 330 E N 1.570 121.745 120.200 -0.042 0.000 2.204 330 E HA 0.446 4.796 4.350 -0.000 0.000 0.276 330 E C -1.343 175.250 176.600 -0.013 0.000 0.974 330 E CA -0.784 55.590 56.400 -0.045 0.000 0.815 330 E CB 1.966 31.666 29.700 -0.001 0.000 1.119 330 E HN 0.472 nan 8.360 nan 0.000 0.393 331 V N 3.242 123.152 119.914 -0.006 0.000 2.483 331 V HA 0.206 4.326 4.120 -0.000 0.000 0.297 331 V C -0.310 175.801 176.094 0.029 0.000 1.027 331 V CA -0.895 61.413 62.300 0.013 0.000 0.855 331 V CB 1.642 33.473 31.823 0.014 0.000 0.995 331 V HN 0.693 nan 8.190 nan 0.000 0.424 332 E N 2.512 122.729 120.200 0.029 0.000 2.398 332 E HA 0.179 4.529 4.350 -0.000 0.000 0.263 332 E C 0.711 177.333 176.600 0.035 0.000 1.046 332 E CA -0.319 56.102 56.400 0.035 0.000 0.908 332 E CB 0.723 30.438 29.700 0.025 0.000 0.963 332 E HN 0.443 nan 8.360 nan 0.000 0.431 333 L N 2.638 123.888 121.223 0.045 0.000 2.275 333 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 333 L C 2.124 179.018 176.870 0.040 0.000 1.119 333 L CA 1.806 56.680 54.840 0.058 0.000 0.790 333 L CB -1.746 40.355 42.059 0.070 0.000 0.919 333 L HN 0.763 nan 8.230 nan 0.000 0.443 334 T N -4.837 109.730 114.554 0.022 0.000 2.788 334 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 334 T C 1.843 176.532 174.700 -0.019 0.000 1.044 334 T CA 1.714 63.815 62.100 0.002 0.000 1.139 334 T CB -0.631 68.239 68.868 0.004 0.000 0.867 334 T HN 0.166 nan 8.240 nan 0.000 0.454 335 T N 1.951 116.500 114.554 -0.008 0.000 2.821 335 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 335 T C 2.193 176.874 174.700 -0.031 0.000 1.046 335 T CA 1.360 63.452 62.100 -0.013 0.000 1.139 335 T CB -0.521 68.349 68.868 0.002 0.000 0.871 335 T HN 0.422 nan 8.240 nan 0.000 0.454 336 V N 1.223 121.122 119.914 -0.026 0.000 2.548 336 V HA 0.115 4.235 4.120 -0.000 0.000 0.249 336 V C 2.536 178.504 176.094 -0.209 0.000 1.055 336 V CA 1.595 63.867 62.300 -0.047 0.000 1.065 336 V CB -1.120 30.721 31.823 0.029 0.000 0.681 336 V HN 0.415 nan 8.190 nan 0.000 0.462 337 A N -0.578 122.086 122.820 -0.260 0.000 2.024 337 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 337 A C 2.343 179.708 177.584 -0.366 0.000 1.164 337 A CA 2.568 54.276 52.037 -0.548 0.000 0.643 337 A CB -0.922 17.961 19.000 -0.195 0.000 0.806 337 A HN 0.578 nan 8.150 nan 0.000 0.451 338 T N -2.178 112.264 114.554 -0.187 0.000 3.018 338 T HA 0.053 4.403 4.350 -0.000 0.000 0.246 338 T C 1.845 176.498 174.700 -0.078 0.000 1.026 338 T CA 0.758 62.793 62.100 -0.108 0.000 1.081 338 T CB 0.036 68.866 68.868 -0.063 0.000 0.970 338 T HN 0.377 nan 8.240 nan 0.000 0.475 339 Q N 0.419 120.178 119.800 -0.068 0.000 2.392 339 Q HA 0.457 4.797 4.340 -0.000 0.000 0.219 339 Q C 0.811 176.803 176.000 -0.013 0.000 0.895 339 Q CA 0.057 55.844 55.803 -0.027 0.000 0.929 339 Q CB 0.269 29.003 28.738 -0.006 0.000 1.077 339 Q HN 0.464 nan 8.270 nan 0.000 0.532 340 A N 0.514 123.313 122.820 -0.035 0.000 2.286 340 A HA 0.666 4.986 4.320 -0.000 0.000 0.286 340 A C 0.589 178.180 177.584 0.012 0.000 1.097 340 A CA 0.136 52.179 52.037 0.010 0.000 0.821 340 A CB 0.423 19.430 19.000 0.013 0.000 1.076 340 A HN 0.179 nan 8.150 nan 0.000 0.490 341 G N -0.491 108.349 108.800 0.067 0.000 2.588 341 G HA2 0.404 4.364 3.960 -0.000 0.000 0.281 341 G HA3 0.404 4.364 3.960 -0.000 0.000 0.281 341 G C 1.009 175.963 174.900 0.089 0.000 1.236 341 G CA 0.415 45.554 45.100 0.066 0.000 0.969 341 G HN 0.696 nan 8.290 nan 0.000 0.504 342 S N -0.687 115.055 115.700 0.070 0.000 2.369 342 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 342 S C 2.508 177.148 174.600 0.067 0.000 1.043 342 S CA 1.112 59.358 58.200 0.076 0.000 1.074 342 S CB -0.341 62.878 63.200 0.031 0.000 0.962 342 S HN 0.331 nan 8.310 nan 0.000 0.433 343 L N 0.705 121.957 121.223 0.048 0.000 1.970 343 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 343 L C 2.369 179.251 176.870 0.019 0.000 1.071 343 L CA 1.541 56.414 54.840 0.056 0.000 0.751 343 L CB -1.706 40.425 42.059 0.118 0.000 0.889 343 L HN 0.313 nan 8.230 nan 0.000 0.432 344 L N -0.764 120.458 121.223 -0.001 0.000 2.046 344 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 344 L C 2.711 179.560 176.870 -0.033 0.000 1.077 344 L CA 1.737 56.467 54.840 -0.184 0.000 0.747 344 L CB -0.912 41.014 42.059 -0.221 0.000 0.896 344 L HN 0.400 nan 8.230 nan 0.000 0.432 345 H N -1.521 117.513 119.070 -0.061 0.000 2.289 345 H HA -0.212 4.344 4.556 0.000 0.000 0.296 345 H C 2.349 177.656 175.328 -0.035 0.000 1.091 345 H CA 1.637 57.663 56.048 -0.037 0.000 1.274 345 H CB 0.139 29.892 29.762 -0.014 0.000 1.364 345 H HN 0.536 nan 8.280 nan 0.000 0.490 346 S N 0.001 115.641 115.700 -0.099 0.000 2.382 346 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 346 S C 2.228 176.764 174.600 -0.107 0.000 1.027 346 S CA 1.132 59.237 58.200 -0.158 0.000 0.991 346 S CB -0.421 62.730 63.200 -0.081 0.000 0.823 346 S HN 0.354 nan 8.310 nan 0.000 0.469 347 L N 1.732 122.908 121.223 -0.079 0.000 2.017 347 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 347 L C 2.534 179.367 176.870 -0.062 0.000 1.073 347 L CA 1.625 56.420 54.840 -0.075 0.000 0.745 347 L CB -0.999 40.991 42.059 -0.115 0.000 0.894 347 L HN 0.263 nan 8.230 nan 0.000 0.432 348 V N -0.857 119.022 119.914 -0.060 0.000 2.295 348 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 348 V C 2.501 178.599 176.094 0.007 0.000 1.049 348 V CA 1.384 63.678 62.300 -0.009 0.000 1.024 348 V CB -0.588 31.248 31.823 0.022 0.000 0.648 348 V HN 0.316 nan 8.190 nan 0.000 0.447 349 L N -0.357 120.836 121.223 -0.049 0.000 2.083 349 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 349 L C 2.491 179.338 176.870 -0.038 0.000 1.083 349 L CA 1.813 56.615 54.840 -0.063 0.000 0.752 349 L CB -1.154 40.806 42.059 -0.165 0.000 0.899 349 L HN 0.259 nan 8.230 nan 0.000 0.433 350 R N -0.830 119.646 120.500 -0.040 0.000 2.075 350 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 350 R C 2.270 178.575 176.300 0.008 0.000 1.126 350 R CA 1.275 57.363 56.100 -0.020 0.000 0.963 350 R CB -0.237 30.048 30.300 -0.024 0.000 0.858 350 R HN 0.342 nan 8.270 nan 0.000 0.435 351 A N 0.423 123.259 122.820 0.028 0.000 1.908 351 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 351 A C 2.002 179.620 177.584 0.056 0.000 1.181 351 A CA 1.298 53.378 52.037 0.072 0.000 0.627 351 A CB -0.477 18.608 19.000 0.142 0.000 0.818 351 A HN 0.313 nan 8.150 nan 0.000 0.445 352 Q N -0.120 119.706 119.800 0.044 0.000 2.170 352 Q HA -0.178 4.162 4.340 -0.000 0.000 0.203 352 Q C 1.848 177.853 176.000 0.007 0.000 0.976 352 Q CA 1.714 57.529 55.803 0.021 0.000 0.858 352 Q CB -0.410 28.342 28.738 0.023 0.000 0.907 352 Q HN 0.828 nan 8.270 nan 0.000 0.433 353 E N 0.124 120.327 120.200 0.006 0.000 2.106 353 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 353 E C 1.926 178.532 176.600 0.010 0.000 0.984 353 E CA 0.625 57.027 56.400 0.003 0.000 0.806 353 E CB -0.089 29.610 29.700 -0.002 0.000 0.750 353 E HN 0.122 nan 8.360 nan 0.000 0.458 354 L N 0.666 121.901 121.223 0.021 0.000 2.156 354 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 354 L C 2.094 178.984 176.870 0.033 0.000 1.095 354 L CA 1.080 55.941 54.840 0.036 0.000 0.770 354 L CB -0.060 42.034 42.059 0.058 0.000 0.914 354 L HN -0.089 nan 8.230 nan 0.000 0.439 355 V N -0.612 119.309 119.914 0.012 0.000 2.407 355 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 355 V C 2.503 178.587 176.094 -0.016 0.000 1.055 355 V CA 1.585 63.875 62.300 -0.018 0.000 1.049 355 V CB -0.605 31.188 31.823 -0.051 0.000 0.662 355 V HN 0.378 nan 8.190 nan 0.000 0.455 356 L N -0.418 120.799 121.223 -0.009 0.000 2.056 356 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 356 L C 2.532 179.401 176.870 -0.001 0.000 1.078 356 L CA 1.780 56.614 54.840 -0.010 0.000 0.749 356 L CB -0.893 41.161 42.059 -0.008 0.000 0.901 356 L HN 0.368 nan 8.230 nan 0.000 0.433 357 Q N -0.903 118.902 119.800 0.008 0.000 2.045 357 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 357 Q C 2.279 178.291 176.000 0.020 0.000 0.991 357 Q CA 1.875 57.686 55.803 0.014 0.000 0.851 357 Q CB -0.387 28.364 28.738 0.022 0.000 0.911 357 Q HN 0.453 nan 8.270 nan 0.000 0.418 358 L N 0.276 121.518 121.223 0.031 0.000 2.083 358 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 358 L C 2.307 179.190 176.870 0.021 0.000 1.083 358 L CA 0.828 55.695 54.840 0.045 0.000 0.752 358 L CB -0.348 41.758 42.059 0.078 0.000 0.899 358 L HN 0.249 nan 8.230 nan 0.000 0.433 359 L N -0.649 120.574 121.223 -0.000 0.000 2.093 359 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 359 L C 2.820 179.690 176.870 -0.001 0.000 1.085 359 L CA 1.058 55.891 54.840 -0.011 0.000 0.755 359 L CB -0.643 41.399 42.059 -0.028 0.000 0.904 359 L HN 0.225 nan 8.230 nan 0.000 0.435 360 A N -0.128 122.693 122.820 0.002 0.000 1.969 360 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 360 A C 2.100 179.688 177.584 0.008 0.000 1.169 360 A CA 1.143 53.184 52.037 0.006 0.000 0.635 360 A CB -0.523 18.480 19.000 0.006 0.000 0.810 360 A HN 0.392 nan 8.150 nan 0.000 0.445 361 L N -1.385 119.840 121.223 0.003 0.000 2.599 361 L HA 0.027 4.367 4.340 -0.000 0.000 0.230 361 L C 0.353 177.193 176.870 -0.050 0.000 1.141 361 L CA 0.212 55.044 54.840 -0.015 0.000 0.877 361 L CB -0.363 41.691 42.059 -0.009 0.000 1.009 361 L HN 0.474 nan 8.230 nan 0.000 0.447 362 Q N 0.394 120.182 119.800 -0.020 0.000 2.470 362 Q HA -0.201 4.139 4.340 -0.000 0.000 0.294 362 Q C -0.130 175.845 176.000 -0.041 0.000 1.356 362 Q CA 0.145 55.939 55.803 -0.014 0.000 0.805 362 Q CB -1.441 27.302 28.738 0.008 0.000 1.157 362 Q HN 0.286 nan 8.270 nan 0.000 0.431 363 L N 1.854 123.083 121.223 0.011 0.000 2.559 363 L HA 0.091 4.431 4.340 -0.000 0.000 0.274 363 L C 0.431 177.386 176.870 0.141 0.000 1.205 363 L CA 0.906 55.789 54.840 0.073 0.000 0.907 363 L CB 0.431 42.574 42.059 0.140 0.000 1.153 363 L HN 0.258 nan 8.230 nan 0.000 0.490 364 D N 2.980 123.479 120.400 0.166 0.000 2.467 364 D HA 0.264 4.904 4.640 -0.000 0.000 0.245 364 D C 0.714 177.129 176.300 0.192 0.000 1.038 364 D CA -0.688 53.443 54.000 0.218 0.000 1.038 364 D CB 0.720 41.692 40.800 0.288 0.000 1.278 364 D HN 0.464 nan 8.370 nan 0.000 0.564 365 R N -0.885 119.723 120.500 0.180 0.000 2.115 365 R HA -0.148 4.192 4.340 -0.000 0.000 0.230 365 R C 1.617 177.936 176.300 0.031 0.000 1.111 365 R CA 1.452 57.633 56.100 0.136 0.000 0.976 365 R CB 0.010 30.398 30.300 0.148 0.000 0.870 365 R HN 0.414 nan 8.270 nan 0.000 0.445 366 Q N 0.399 120.157 119.800 -0.071 0.000 2.050 366 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 366 Q C 1.765 177.580 176.000 -0.308 0.000 0.980 366 Q CA 2.053 57.660 55.803 -0.327 0.000 0.840 366 Q CB 0.021 28.283 28.738 -0.793 0.000 0.898 366 Q HN 0.431 nan 8.270 nan 0.000 0.424 367 E N -0.483 119.631 120.200 -0.144 0.000 2.072 367 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 367 E C 1.591 178.216 176.600 0.042 0.000 0.985 367 E CA 0.859 57.258 56.400 -0.001 0.000 0.801 367 E CB -0.241 29.530 29.700 0.119 0.000 0.750 367 E HN 0.268 nan 8.360 nan 0.000 0.452 368 F N 1.779 121.646 119.950 -0.138 0.000 2.065 368 F HA -0.265 4.262 4.527 0.000 0.000 0.298 368 F C 2.208 177.936 175.800 -0.119 0.000 1.112 368 F CA 1.784 59.626 58.000 -0.263 0.000 1.212 368 F CB -0.708 37.715 39.000 -0.960 0.000 0.975 368 F HN -0.040 nan 8.300 nan 0.000 0.476 369 V N -1.393 118.248 119.914 -0.455 0.000 2.515 369 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 369 V C 2.474 178.457 176.094 -0.184 0.000 1.058 369 V CA 1.711 63.733 62.300 -0.462 0.000 1.064 369 V CB -1.774 29.934 31.823 -0.193 0.000 0.675 369 V HN 0.640 nan 8.190 nan 0.000 0.461 370 C N -0.006 119.225 119.300 -0.114 0.000 2.466 370 C HA 0.079 4.539 4.460 -0.000 0.000 0.278 370 C C 2.599 177.631 174.990 0.071 0.000 1.288 370 C CA 1.073 60.086 59.018 -0.007 0.000 1.722 370 C CB -1.200 26.523 27.740 -0.029 0.000 2.017 370 C HN 0.646 nan 8.230 nan 0.000 0.488 371 L N 0.600 121.828 121.223 0.008 0.000 2.079 371 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 371 L C 2.731 179.527 176.870 -0.123 0.000 1.081 371 L CA 1.666 56.474 54.840 -0.052 0.000 0.752 371 L CB -0.640 41.391 42.059 -0.046 0.000 0.896 371 L HN 0.353 nan 8.230 nan 0.000 0.433 372 K N -0.632 119.705 120.400 -0.105 0.000 2.063 372 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 372 K C 2.077 178.796 176.600 0.197 0.000 1.048 372 K CA 1.681 57.905 56.287 -0.105 0.000 0.928 372 K CB -0.196 32.018 32.500 -0.477 0.000 0.713 372 K HN 0.110 nan 8.250 nan 0.000 0.442 373 F N 1.265 121.324 119.950 0.181 0.000 2.146 373 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 373 F C 1.810 177.759 175.800 0.248 0.000 1.096 373 F CA 1.095 59.281 58.000 0.311 0.000 1.275 373 F CB -0.008 39.131 39.000 0.231 0.000 1.008 373 F HN -0.077 nan 8.300 nan 0.000 0.480 374 I N 0.060 120.806 120.570 0.293 0.000 2.208 374 I HA -0.351 3.819 4.170 -0.000 0.000 0.245 374 I C 2.319 178.464 176.117 0.047 0.000 1.097 374 I CA 1.534 62.928 61.300 0.156 0.000 1.363 374 I CB -0.458 37.598 38.000 0.094 0.000 1.051 374 I HN 0.138 nan 8.210 nan 0.000 0.413 375 I N -0.098 120.460 120.570 -0.021 0.000 2.226 375 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 375 I C 2.488 178.580 176.117 -0.041 0.000 1.100 375 I CA 1.039 62.297 61.300 -0.069 0.000 1.374 375 I CB -0.298 37.621 38.000 -0.134 0.000 1.057 375 I HN 0.239 nan 8.210 nan 0.000 0.413 376 L N 0.576 121.783 121.223 -0.026 0.000 2.013 376 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 376 L C 1.703 178.392 176.870 -0.301 0.000 1.073 376 L CA 2.134 56.881 54.840 -0.155 0.000 0.753 376 L CB -0.680 41.240 42.059 -0.232 0.000 0.890 376 L HN 0.097 nan 8.230 nan 0.000 0.432 377 F N -0.689 119.142 119.950 -0.199 0.000 2.660 377 F HA 0.200 4.727 4.527 -0.000 0.000 0.302 377 F C 1.318 177.058 175.800 -0.100 0.000 1.103 377 F CA 0.116 58.020 58.000 -0.161 0.000 1.340 377 F CB -0.358 38.504 39.000 -0.229 0.000 1.048 377 F HN 0.121 nan 8.300 nan 0.000 0.551 378 S N 1.524 117.240 115.700 0.026 0.000 3.919 378 S HA 0.451 4.921 4.470 -0.000 0.000 0.245 378 S C -0.634 173.939 174.600 -0.045 0.000 1.344 378 S CA -0.374 57.824 58.200 -0.002 0.000 0.896 378 S CB -0.116 63.068 63.200 -0.026 0.000 1.557 378 S HN 0.192 nan 8.310 nan 0.000 0.468 379 L N 1.787 122.968 121.223 -0.071 0.000 2.470 379 L HA 0.540 4.880 4.340 -0.000 0.000 0.268 379 L C -0.869 175.856 176.870 -0.242 0.000 0.964 379 L CA -0.395 54.334 54.840 -0.185 0.000 0.839 379 L CB 1.987 43.899 42.059 -0.245 0.000 1.276 379 L HN 0.408 nan 8.230 nan 0.000 0.403 380 D N 2.475 122.697 120.400 -0.298 0.000 2.525 380 D HA -0.000 4.640 4.640 -0.000 0.000 0.235 380 D C 1.076 177.188 176.300 -0.313 0.000 1.137 380 D CA 0.342 54.211 54.000 -0.218 0.000 0.868 380 D CB 0.947 41.724 40.800 -0.039 0.000 1.180 380 D HN 0.554 nan 8.370 nan 0.000 0.465 381 L N 3.939 125.103 121.223 -0.100 0.000 2.141 381 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 381 L C 2.294 179.220 176.870 0.092 0.000 1.094 381 L CA 1.368 56.217 54.840 0.016 0.000 0.763 381 L CB -0.642 41.434 42.059 0.029 0.000 0.908 381 L HN 0.600 nan 8.230 nan 0.000 0.437 382 K N 0.673 121.109 120.400 0.060 0.000 2.293 382 K HA -0.224 4.096 4.320 -0.000 0.000 0.204 382 K C 0.617 177.474 176.600 0.427 0.000 1.045 382 K CA 1.717 58.128 56.287 0.206 0.000 0.933 382 K CB -0.284 32.367 32.500 0.250 0.000 0.736 382 K HN 0.487 nan 8.250 nan 0.000 0.463 383 F N -0.185 119.832 119.950 0.112 0.000 2.879 383 F HA 0.435 4.962 4.527 -0.000 0.000 0.354 383 F C -0.724 175.117 175.800 0.069 0.000 1.291 383 F CA -1.416 56.637 58.000 0.088 0.000 1.238 383 F CB 0.283 39.312 39.000 0.049 0.000 1.005 383 F HN -0.272 nan 8.300 nan 0.000 0.508 384 L N 0.464 121.742 121.223 0.093 0.000 2.301 384 L HA 0.510 4.850 4.340 -0.000 0.000 0.264 384 L C 0.811 177.573 176.870 -0.181 0.000 1.016 384 L CA -0.849 53.970 54.840 -0.035 0.000 0.821 384 L CB 1.367 43.380 42.059 -0.077 0.000 1.346 384 L HN -0.045 nan 8.230 nan 0.000 0.429 385 N N 0.087 118.663 118.700 -0.207 0.000 2.092 385 N HA -0.086 4.654 4.740 -0.000 0.000 0.189 385 N C 0.472 175.694 175.510 -0.480 0.000 1.040 385 N CA 1.074 53.959 53.050 -0.275 0.000 0.845 385 N CB -0.147 38.252 38.487 -0.146 0.000 1.017 385 N HN 0.465 nan 8.380 nan 0.000 0.426 386 N N 1.692 120.199 118.700 -0.320 0.000 3.034 386 N HA 0.001 4.741 4.740 -0.000 0.000 0.265 386 N C 0.468 175.866 175.510 -0.186 0.000 1.166 386 N CA -0.076 52.833 53.050 -0.235 0.000 1.081 386 N CB -0.206 38.210 38.487 -0.118 0.000 1.378 386 N HN 0.219 nan 8.380 nan 0.000 0.520 387 H N 1.268 120.338 119.070 -0.000 0.000 2.426 387 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 387 H C 1.829 177.157 175.328 0.001 0.000 1.107 387 H CA 0.891 56.939 56.048 0.001 0.000 1.298 387 H CB 0.493 30.257 29.762 0.003 0.000 1.377 387 H HN 0.522 nan 8.280 nan 0.000 0.519 388 I N 0.112 120.734 120.570 0.086 0.000 2.233 388 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 388 I C 1.925 178.053 176.117 0.019 0.000 1.093 388 I CA 0.709 62.039 61.300 0.050 0.000 1.380 388 I CB 0.022 38.042 38.000 0.033 0.000 1.067 388 I HN 0.018 nan 8.210 nan 0.000 0.413 389 L N 0.090 121.316 121.223 0.006 0.000 2.093 389 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 389 L C 2.328 179.184 176.870 -0.023 0.000 1.085 389 L CA 1.435 56.270 54.840 -0.008 0.000 0.755 389 L CB -0.736 41.325 42.059 0.002 0.000 0.904 389 L HN 0.104 nan 8.230 nan 0.000 0.435 390 V N -0.768 119.166 119.914 0.033 0.000 2.323 390 V HA -0.268 3.852 4.120 -0.000 0.000 0.244 390 V C 2.560 178.653 176.094 -0.002 0.000 1.041 390 V CA 1.595 63.941 62.300 0.076 0.000 1.025 390 V CB -0.471 31.451 31.823 0.163 0.000 0.656 390 V HN 0.436 nan 8.190 nan 0.000 0.451 391 K N 0.273 120.687 120.400 0.024 0.000 2.009 391 K HA -0.298 4.022 4.320 -0.000 0.000 0.210 391 K C 1.986 178.574 176.600 -0.020 0.000 1.049 391 K CA 2.342 58.637 56.287 0.014 0.000 0.929 391 K CB -0.381 32.138 32.500 0.031 0.000 0.714 391 K HN 0.575 nan 8.250 nan 0.000 0.440 392 D N -0.191 120.189 120.400 -0.032 0.000 2.116 392 D HA -0.209 4.431 4.640 -0.000 0.000 0.193 392 D C 1.658 177.908 176.300 -0.084 0.000 0.998 392 D CA 1.915 55.887 54.000 -0.047 0.000 0.836 392 D CB -0.091 40.684 40.800 -0.042 0.000 0.951 392 D HN 0.334 nan 8.370 nan 0.000 0.449 393 A N -0.267 122.443 122.820 -0.183 0.000 1.902 393 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 393 A C 2.250 179.740 177.584 -0.157 0.000 1.181 393 A CA 1.716 53.568 52.037 -0.308 0.000 0.623 393 A CB -0.729 17.635 19.000 -1.059 0.000 0.818 393 A HN 0.394 nan 8.150 nan 0.000 0.443 394 Q N -0.589 119.136 119.800 -0.125 0.000 2.050 394 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 394 Q C 2.070 178.096 176.000 0.044 0.000 0.980 394 Q CA 1.779 57.587 55.803 0.009 0.000 0.840 394 Q CB -0.194 28.564 28.738 0.034 0.000 0.898 394 Q HN 0.781 nan 8.270 nan 0.000 0.424 395 E N 0.676 120.886 120.200 0.017 0.000 2.077 395 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 395 E C 1.957 178.569 176.600 0.020 0.000 0.989 395 E CA 0.986 57.400 56.400 0.023 0.000 0.800 395 E CB 0.040 29.743 29.700 0.006 0.000 0.746 395 E HN 0.182 nan 8.360 nan 0.000 0.452 396 K N 0.391 120.793 120.400 0.003 0.000 2.057 396 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 396 K C 2.124 178.727 176.600 0.005 0.000 1.049 396 K CA 1.197 57.476 56.287 -0.012 0.000 0.931 396 K CB -0.102 32.371 32.500 -0.045 0.000 0.714 396 K HN 0.063 nan 8.250 nan 0.000 0.440 397 A N 1.525 124.386 122.820 0.068 0.000 1.929 397 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 397 A C 1.968 179.638 177.584 0.144 0.000 1.176 397 A CA 1.403 53.512 52.037 0.119 0.000 0.628 397 A CB -0.537 18.673 19.000 0.350 0.000 0.816 397 A HN 0.295 nan 8.150 nan 0.000 0.444 398 N N 0.617 119.410 118.700 0.155 0.000 2.188 398 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 398 N C 1.845 177.408 175.510 0.088 0.000 1.018 398 N CA 1.509 54.692 53.050 0.221 0.000 0.858 398 N CB -0.220 38.393 38.487 0.209 0.000 0.989 398 N HN 0.353 nan 8.380 nan 0.000 0.426 399 A N 0.731 123.562 122.820 0.018 0.000 1.929 399 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 399 A C 2.405 179.968 177.584 -0.036 0.000 1.176 399 A CA 1.548 53.555 52.037 -0.049 0.000 0.628 399 A CB -0.786 18.194 19.000 -0.033 0.000 0.816 399 A HN 0.417 nan 8.150 nan 0.000 0.444 400 A N -0.415 122.407 122.820 0.004 0.000 1.902 400 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 400 A C 2.139 179.774 177.584 0.085 0.000 1.181 400 A CA 1.715 53.766 52.037 0.022 0.000 0.623 400 A CB -0.616 18.372 19.000 -0.021 0.000 0.818 400 A HN 0.597 nan 8.150 nan 0.000 0.443 401 L N -0.835 120.459 121.223 0.119 0.000 2.027 401 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 401 L C 2.299 179.279 176.870 0.185 0.000 1.074 401 L CA 1.921 56.901 54.840 0.233 0.000 0.745 401 L CB -0.518 41.757 42.059 0.360 0.000 0.898 401 L HN 0.394 nan 8.230 nan 0.000 0.433 402 L N -0.277 120.850 121.223 -0.159 0.000 1.989 402 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 402 L C 2.140 178.928 176.870 -0.138 0.000 1.071 402 L CA 2.430 56.963 54.840 -0.511 0.000 0.749 402 L CB -0.927 40.572 42.059 -0.934 0.000 0.890 402 L HN 0.506 nan 8.230 nan 0.000 0.431 403 D N -2.194 118.167 120.400 -0.064 0.000 2.104 403 D HA -0.332 4.308 4.640 -0.000 0.000 0.194 403 D C 2.143 178.496 176.300 0.088 0.000 0.994 403 D CA 1.745 55.749 54.000 0.006 0.000 0.830 403 D CB -0.341 40.474 40.800 0.024 0.000 0.959 403 D HN 0.516 nan 8.370 nan 0.000 0.452 404 Y N 0.726 121.061 120.300 0.059 0.000 2.145 404 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 404 Y C 2.508 178.535 175.900 0.212 0.000 1.145 404 Y CA 2.595 60.767 58.100 0.121 0.000 1.148 404 Y CB -0.914 37.578 38.460 0.052 0.000 0.981 404 Y HN 0.146 nan 8.280 nan 0.000 0.507 405 T N -0.226 114.450 114.554 0.203 0.000 2.821 405 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 405 T C 1.878 176.668 174.700 0.150 0.000 1.046 405 T CA 1.652 63.886 62.100 0.224 0.000 1.139 405 T CB -1.046 67.988 68.868 0.275 0.000 0.871 405 T HN 0.548 nan 8.240 nan 0.000 0.454 406 L N -1.129 120.135 121.223 0.069 0.000 2.418 406 L HA 0.308 4.648 4.340 -0.000 0.000 0.218 406 L C 2.173 179.019 176.870 -0.040 0.000 1.125 406 L CA 0.527 55.381 54.840 0.024 0.000 0.835 406 L CB -1.325 40.737 42.059 0.005 0.000 0.953 406 L HN 0.276 nan 8.230 nan 0.000 0.454 407 C N -0.036 119.228 119.300 -0.060 0.000 2.492 407 C HA 0.037 4.497 4.460 -0.000 0.000 0.279 407 C C 2.576 177.398 174.990 -0.279 0.000 1.335 407 C CA 0.282 59.218 59.018 -0.137 0.000 1.734 407 C CB -0.879 26.812 27.740 -0.082 0.000 2.027 407 C HN 0.609 nan 8.230 nan 0.000 0.496 408 H N -2.507 116.337 119.070 -0.376 0.000 2.595 408 H HA 0.110 4.666 4.556 -0.000 0.000 0.265 408 H C -0.257 174.625 175.328 -0.745 0.000 0.953 408 H CA 0.918 56.609 56.048 -0.595 0.000 1.197 408 H CB 0.480 29.697 29.762 -0.908 0.000 1.438 408 H HN 0.498 nan 8.280 nan 0.000 0.531 409 Y N 0.461 120.710 120.300 -0.084 0.000 2.477 409 Y HA 0.215 4.765 4.550 -0.000 0.000 0.340 409 Y C -1.915 173.946 175.900 -0.065 0.000 0.987 409 Y CA -1.895 56.180 58.100 -0.041 0.000 1.127 409 Y CB 0.979 39.452 38.460 0.021 0.000 1.139 409 Y HN 0.065 nan 8.280 nan 0.000 0.637 410 P HA -0.140 nan 4.420 nan 0.000 0.225 410 P C 0.467 177.712 177.300 -0.091 0.000 1.148 410 P CA 1.669 64.679 63.100 -0.151 0.000 0.779 410 P CB 0.241 31.749 31.700 -0.321 0.000 0.780 411 H N -0.948 118.160 119.070 0.063 0.000 2.551 411 H HA 0.179 4.735 4.556 -0.000 0.000 0.271 411 H C 0.166 175.538 175.328 0.075 0.000 0.984 411 H CA -0.203 55.880 56.048 0.057 0.000 1.164 411 H CB 0.280 30.069 29.762 0.046 0.000 1.437 411 H HN 0.097 nan 8.280 nan 0.000 0.550 412 S N 0.427 116.248 115.700 0.200 0.000 2.567 412 S HA 0.212 4.682 4.470 -0.000 0.000 0.262 412 S C 1.398 176.071 174.600 0.122 0.000 1.237 412 S CA -0.526 57.760 58.200 0.144 0.000 1.093 412 S CB 1.221 64.494 63.200 0.123 0.000 1.095 412 S HN 0.434 nan 8.310 nan 0.000 0.489 413 G N 0.874 109.737 108.800 0.106 0.000 2.776 413 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.209 413 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.209 413 G C 0.629 175.588 174.900 0.099 0.000 1.145 413 G CA 0.193 45.348 45.100 0.092 0.000 0.791 413 G HN 0.595 nan 8.290 nan 0.000 0.530 414 D N -0.700 119.760 120.400 0.100 0.000 2.469 414 D HA 0.098 4.738 4.640 -0.000 0.000 0.215 414 D C 1.981 178.346 176.300 0.109 0.000 1.154 414 D CA -0.120 53.941 54.000 0.102 0.000 0.832 414 D CB 0.518 41.360 40.800 0.070 0.000 1.008 414 D HN 0.240 nan 8.370 nan 0.000 0.506 415 K N -0.069 120.402 120.400 0.119 0.000 2.063 415 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 415 K C 1.878 178.553 176.600 0.126 0.000 1.048 415 K CA 1.047 57.389 56.287 0.092 0.000 0.928 415 K CB -0.309 32.233 32.500 0.069 0.000 0.713 415 K HN 0.012 nan 8.250 nan 0.000 0.442 416 F N 1.596 121.571 119.950 0.041 0.000 2.069 416 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 416 F C 2.176 177.996 175.800 0.033 0.000 1.113 416 F CA 1.947 59.975 58.000 0.046 0.000 1.214 416 F CB -0.600 38.431 39.000 0.051 0.000 0.978 416 F HN 0.135 nan 8.300 nan 0.000 0.474 417 Q N -0.005 119.767 119.800 -0.046 0.000 2.079 417 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 417 Q C 2.215 178.132 176.000 -0.138 0.000 0.974 417 Q CA 1.602 57.308 55.803 -0.162 0.000 0.840 417 Q CB -0.340 28.404 28.738 0.009 0.000 0.898 417 Q HN 0.403 nan 8.270 nan 0.000 0.430 418 Q N -0.338 119.428 119.800 -0.057 0.000 2.170 418 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 418 Q C 2.071 178.036 176.000 -0.059 0.000 0.976 418 Q CA 1.002 56.781 55.803 -0.039 0.000 0.858 418 Q CB -0.160 28.576 28.738 -0.004 0.000 0.907 418 Q HN 0.421 nan 8.270 nan 0.000 0.433 419 L N -0.222 120.952 121.223 -0.082 0.000 2.109 419 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 419 L C 2.323 179.110 176.870 -0.139 0.000 1.086 419 L CA 0.596 55.394 54.840 -0.071 0.000 0.760 419 L CB -0.374 41.665 42.059 -0.034 0.000 0.910 419 L HN 0.182 nan 8.230 nan 0.000 0.437 420 L N -0.566 120.502 121.223 -0.260 0.000 2.083 420 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 420 L C 2.555 179.326 176.870 -0.164 0.000 1.083 420 L CA 0.754 55.434 54.840 -0.266 0.000 0.752 420 L CB -0.398 41.419 42.059 -0.404 0.000 0.899 420 L HN 0.292 nan 8.230 nan 0.000 0.433 421 L N -0.486 120.661 121.223 -0.127 0.000 2.093 421 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 421 L C 2.504 179.339 176.870 -0.058 0.000 1.085 421 L CA 1.658 56.451 54.840 -0.078 0.000 0.755 421 L CB -0.600 41.426 42.059 -0.055 0.000 0.904 421 L HN 0.215 nan 8.230 nan 0.000 0.435 422 C N -0.903 118.368 119.300 -0.048 0.000 2.422 422 C HA -0.110 4.350 4.460 -0.000 0.000 0.279 422 C C 2.629 177.593 174.990 -0.043 0.000 1.305 422 C CA 0.392 59.402 59.018 -0.013 0.000 1.757 422 C CB -1.119 26.643 27.740 0.035 0.000 1.962 422 C HN 0.541 nan 8.230 nan 0.000 0.499 423 L N 0.434 121.592 121.223 -0.108 0.000 2.141 423 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 423 L C 2.532 179.336 176.870 -0.111 0.000 1.094 423 L CA 1.559 56.301 54.840 -0.164 0.000 0.763 423 L CB -1.056 40.881 42.059 -0.203 0.000 0.908 423 L HN 0.175 nan 8.230 nan 0.000 0.437 424 V N -0.582 119.283 119.914 -0.083 0.000 2.343 424 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 424 V C 2.571 178.638 176.094 -0.046 0.000 1.051 424 V CA 1.738 64.002 62.300 -0.060 0.000 1.036 424 V CB -0.450 31.344 31.823 -0.049 0.000 0.654 424 V HN 0.430 nan 8.190 nan 0.000 0.451 425 E N 0.206 120.386 120.200 -0.034 0.000 2.150 425 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 425 E C 1.952 178.546 176.600 -0.009 0.000 0.985 425 E CA 1.125 57.516 56.400 -0.015 0.000 0.814 425 E CB -0.246 29.455 29.700 0.001 0.000 0.752 425 E HN 0.364 nan 8.360 nan 0.000 0.466 426 V N 0.755 120.659 119.914 -0.016 0.000 2.427 426 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 426 V C 2.581 178.649 176.094 -0.043 0.000 1.051 426 V CA 1.901 64.198 62.300 -0.006 0.000 1.048 426 V CB -0.525 31.281 31.823 -0.028 0.000 0.666 426 V HN 0.281 nan 8.190 nan 0.000 0.456 427 R N 0.165 120.626 120.500 -0.065 0.000 2.081 427 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 427 R C 2.326 178.590 176.300 -0.061 0.000 1.131 427 R CA 1.642 57.698 56.100 -0.074 0.000 0.960 427 R CB -0.392 29.866 30.300 -0.070 0.000 0.856 427 R HN 0.495 nan 8.270 nan 0.000 0.436 428 A N 1.105 123.900 122.820 -0.042 0.000 1.902 428 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 428 A C 2.228 179.794 177.584 -0.030 0.000 1.181 428 A CA 1.091 53.109 52.037 -0.032 0.000 0.623 428 A CB -0.549 18.437 19.000 -0.022 0.000 0.818 428 A HN 0.331 nan 8.150 nan 0.000 0.443 429 L N -0.448 120.761 121.223 -0.024 0.000 2.046 429 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 429 L C 2.837 179.685 176.870 -0.038 0.000 1.077 429 L CA 1.519 56.348 54.840 -0.018 0.000 0.747 429 L CB -0.310 41.752 42.059 0.006 0.000 0.896 429 L HN 0.343 nan 8.230 nan 0.000 0.432 430 S N -0.824 114.836 115.700 -0.066 0.000 2.399 430 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 430 S C 1.937 176.460 174.600 -0.128 0.000 1.022 430 S CA 1.112 59.235 58.200 -0.129 0.000 0.983 430 S CB -0.059 63.031 63.200 -0.184 0.000 0.803 430 S HN 0.279 nan 8.310 nan 0.000 0.480 431 M N 1.159 120.709 119.600 -0.085 0.000 2.156 431 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 431 M C 2.187 178.478 176.300 -0.015 0.000 1.067 431 M CA 1.265 56.530 55.300 -0.058 0.000 1.131 431 M CB -1.438 31.135 32.600 -0.045 0.000 1.368 431 M HN 0.323 nan 8.290 nan 0.000 0.416 432 Q N -0.098 119.699 119.800 -0.005 0.000 2.135 432 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 432 Q C 2.171 178.214 176.000 0.070 0.000 0.981 432 Q CA 1.767 57.587 55.803 0.028 0.000 0.856 432 Q CB -0.183 28.562 28.738 0.011 0.000 0.902 432 Q HN 0.565 nan 8.270 nan 0.000 0.425 433 A N 1.169 124.014 122.820 0.041 0.000 1.898 433 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 433 A C 1.875 179.556 177.584 0.160 0.000 1.181 433 A CA 1.409 53.498 52.037 0.087 0.000 0.620 433 A CB -0.286 18.716 19.000 0.004 0.000 0.819 433 A HN 0.178 nan 8.150 nan 0.000 0.442 434 K N -0.210 120.235 120.400 0.075 0.000 2.063 434 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 434 K C 1.920 178.631 176.600 0.184 0.000 1.048 434 K CA 1.751 58.111 56.287 0.123 0.000 0.928 434 K CB -0.189 32.333 32.500 0.037 0.000 0.713 434 K HN 0.640 nan 8.250 nan 0.000 0.442 435 E N -0.394 119.902 120.200 0.159 0.000 2.150 435 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 435 E C 1.815 178.583 176.600 0.279 0.000 0.985 435 E CA 0.918 57.437 56.400 0.198 0.000 0.814 435 E CB -0.134 29.645 29.700 0.132 0.000 0.752 435 E HN 0.340 nan 8.360 nan 0.000 0.466 436 Y N 1.673 122.066 120.300 0.155 0.000 2.145 436 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 436 Y C 1.961 178.009 175.900 0.248 0.000 1.145 436 Y CA 1.378 59.584 58.100 0.177 0.000 1.148 436 Y CB -0.315 38.220 38.460 0.125 0.000 0.981 436 Y HN -0.075 nan 8.280 nan 0.000 0.507 437 L N -1.057 120.268 121.223 0.171 0.000 2.042 437 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 437 L C 2.349 179.304 176.870 0.142 0.000 1.076 437 L CA 1.878 56.788 54.840 0.116 0.000 0.749 437 L CB -0.840 41.362 42.059 0.239 0.000 0.893 437 L HN 0.332 nan 8.230 nan 0.000 0.432 438 Y N -0.028 120.323 120.300 0.084 0.000 2.200 438 Y HA -0.317 4.233 4.550 0.000 0.000 0.290 438 Y C 2.792 178.759 175.900 0.112 0.000 1.137 438 Y CA 1.969 60.126 58.100 0.095 0.000 1.163 438 Y CB -0.367 38.143 38.460 0.083 0.000 0.988 438 Y HN 0.247 nan 8.280 nan 0.000 0.518 439 H N 0.076 119.148 119.070 0.003 0.000 2.319 439 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 439 H C 2.057 177.274 175.328 -0.186 0.000 1.092 439 H CA 2.294 58.278 56.048 -0.107 0.000 1.302 439 H CB -0.024 29.710 29.762 -0.046 0.000 1.373 439 H HN -0.001 nan 8.280 nan 0.000 0.497 440 K N -0.215 120.008 120.400 -0.295 0.000 2.026 440 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 440 K C 2.367 178.828 176.600 -0.230 0.000 1.048 440 K CA 1.768 57.861 56.287 -0.323 0.000 0.929 440 K CB -1.014 31.360 32.500 -0.209 0.000 0.713 440 K HN 0.585 nan 8.250 nan 0.000 0.439 441 H N 0.235 119.175 119.070 -0.217 0.000 2.352 441 H HA -0.012 4.544 4.556 0.000 0.000 0.299 441 H C 1.766 176.937 175.328 -0.262 0.000 1.097 441 H CA 1.848 57.784 56.048 -0.187 0.000 1.311 441 H CB -0.115 29.566 29.762 -0.135 0.000 1.377 441 H HN 0.068 nan 8.280 nan 0.000 0.504 442 L N -0.741 120.215 121.223 -0.445 0.000 2.156 442 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 442 L C 2.529 179.164 176.870 -0.390 0.000 1.095 442 L CA 0.856 55.417 54.840 -0.464 0.000 0.770 442 L CB -0.313 41.486 42.059 -0.434 0.000 0.914 442 L HN 0.488 nan 8.230 nan 0.000 0.439 443 G N -1.293 107.261 108.800 -0.411 0.000 2.848 443 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.208 443 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.208 443 G C 0.612 175.343 174.900 -0.282 0.000 1.152 443 G CA -0.117 44.775 45.100 -0.346 0.000 0.789 443 G HN 0.438 nan 8.290 nan 0.000 0.531 444 N N 0.002 118.522 118.700 -0.299 0.000 2.725 444 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 444 N C 1.072 176.480 175.510 -0.170 0.000 1.103 444 N CA 1.168 54.078 53.050 -0.234 0.000 0.707 444 N CB -0.884 37.491 38.487 -0.188 0.000 1.043 444 N HN 0.677 nan 8.380 nan 0.000 0.553 445 E N -1.194 118.893 120.200 -0.188 0.000 2.415 445 E HA 0.087 4.437 4.350 -0.000 0.000 0.197 445 E C 0.535 177.147 176.600 0.020 0.000 1.007 445 E CA 0.108 56.394 56.400 -0.190 0.000 0.890 445 E CB 0.225 29.688 29.700 -0.395 0.000 0.891 445 E HN 0.268 nan 8.360 nan 0.000 0.496 446 M N 1.914 121.571 119.600 0.095 0.000 2.242 446 M HA 0.246 4.726 4.480 -0.000 0.000 0.344 446 M C -2.217 174.167 176.300 0.139 0.000 1.140 446 M CA -2.506 52.933 55.300 0.230 0.000 1.160 446 M CB -0.614 32.086 32.600 0.167 0.000 1.491 446 M HN -0.238 nan 8.290 nan 0.000 0.459 447 P HA 0.083 nan 4.420 nan 0.000 0.267 447 P C 0.630 177.958 177.300 0.048 0.000 1.200 447 P CA -0.198 62.945 63.100 0.072 0.000 0.772 447 P CB 0.558 32.286 31.700 0.048 0.000 0.855 448 R N 2.067 122.585 120.500 0.031 0.000 2.148 448 R HA -0.017 4.323 4.340 -0.000 0.000 0.223 448 R C 0.648 176.959 176.300 0.019 0.000 1.088 448 R CA 1.207 57.321 56.100 0.022 0.000 0.985 448 R CB -1.013 29.294 30.300 0.011 0.000 0.880 448 R HN 0.441 nan 8.270 nan 0.000 0.451 449 N N 0.518 119.228 118.700 0.017 0.000 2.362 449 N HA -0.011 4.729 4.740 -0.000 0.000 0.204 449 N C -0.275 175.238 175.510 0.005 0.000 1.166 449 N CA -0.042 53.015 53.050 0.010 0.000 0.831 449 N CB -0.056 38.438 38.487 0.010 0.000 1.008 449 N HN 0.117 nan 8.380 nan 0.000 0.472 450 N N 1.393 120.097 118.700 0.007 0.000 2.452 450 N HA -0.013 4.727 4.740 -0.000 0.000 0.266 450 N C 1.019 176.505 175.510 -0.039 0.000 1.175 450 N CA -0.023 53.024 53.050 -0.006 0.000 0.945 450 N CB 0.757 39.250 38.487 0.010 0.000 1.063 450 N HN 0.258 nan 8.380 nan 0.000 0.472 451 L N 2.692 123.887 121.223 -0.047 0.000 2.341 451 L HA 0.103 4.443 4.340 -0.000 0.000 0.214 451 L C 1.819 178.539 176.870 -0.249 0.000 1.115 451 L CA 0.429 55.212 54.840 -0.094 0.000 0.820 451 L CB -0.103 41.950 42.059 -0.010 0.000 0.944 451 L HN 0.451 nan 8.230 nan 0.000 0.452 452 L N 0.069 121.146 121.223 -0.244 0.000 2.131 452 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 452 L C 2.643 179.234 176.870 -0.465 0.000 1.092 452 L CA 0.895 55.474 54.840 -0.434 0.000 0.759 452 L CB -0.491 41.496 42.059 -0.120 0.000 0.903 452 L HN 0.342 nan 8.230 nan 0.000 0.435 453 I N -0.304 120.132 120.570 -0.224 0.000 2.353 453 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 453 I C 2.572 178.559 176.117 -0.217 0.000 1.119 453 I CA 1.119 62.319 61.300 -0.166 0.000 1.417 453 I CB -0.961 37.013 38.000 -0.044 0.000 1.078 453 I HN 0.290 nan 8.210 nan 0.000 0.421 454 E N 0.371 120.443 120.200 -0.215 0.000 2.058 454 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 454 E C 2.207 178.622 176.600 -0.308 0.000 0.997 454 E CA 1.203 57.484 56.400 -0.200 0.000 0.801 454 E CB -0.192 29.419 29.700 -0.149 0.000 0.746 454 E HN 0.339 nan 8.360 nan 0.000 0.450 455 M N 0.233 119.493 119.600 -0.566 0.000 2.117 455 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 455 M C 2.499 178.400 176.300 -0.665 0.000 1.065 455 M CA 0.936 55.683 55.300 -0.921 0.000 1.114 455 M CB -1.110 30.269 32.600 -2.034 0.000 1.361 455 M HN 0.094 nan 8.290 nan 0.000 0.408 456 L N 0.448 121.370 121.223 -0.502 0.000 2.093 456 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 456 L C 1.783 178.638 176.870 -0.025 0.000 1.085 456 L CA 1.638 56.467 54.840 -0.019 0.000 0.755 456 L CB -0.285 41.803 42.059 0.049 0.000 0.904 456 L HN 0.344 nan 8.230 nan 0.000 0.435 457 Q N -0.101 119.635 119.800 -0.108 0.000 2.242 457 Q HA 0.344 4.684 4.340 -0.000 0.000 0.246 457 Q C -0.045 175.923 176.000 -0.053 0.000 0.883 457 Q CA 0.033 55.791 55.803 -0.075 0.000 0.984 457 Q CB 0.371 29.049 28.738 -0.101 0.000 1.096 457 Q HN 0.524 nan 8.270 nan 0.000 0.452 458 A N 1.022 123.816 122.820 -0.044 0.000 2.282 458 A HA 0.776 5.096 4.320 -0.000 0.000 0.324 458 A C 0.096 177.690 177.584 0.017 0.000 1.119 458 A CA -0.217 51.810 52.037 -0.017 0.000 0.880 458 A CB 1.278 20.262 19.000 -0.026 0.000 1.294 458 A HN 0.160 nan 8.150 nan 0.000 0.493 459 K N 0.000 120.414 120.400 0.023 0.000 2.780 459 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 459 K CA 0.000 56.306 56.287 0.032 0.000 0.838 459 K CB 0.000 32.529 32.500 0.049 0.000 1.064 459 K HN 0.000 nan 8.250 nan 0.000 0.543