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 3pjw_1_A DATA FIRST_RESID 219 DATA SEQUENCE AALFQEQAER SEKLRTESYQ DNLTGLANRR YFEMQLNARV SNPEQASSGY DATA SEQUENCE LLLLRVKDLA GLNQRLGGQR TDELLKAVGE QLSRECAKYP ETQNLVTRIR DATA SEQUENCE GGEFAVLAPG MTREEALQLA QSLDSALSSL YATGATDVAA VASIGLAPFA DATA SEQUENCE HGDSPQAVLS LGDQALAQAE GQGEQNWACL DXXXXXXXGD DHHAWHRLLD DATA SEQUENCE QALNQRRFEL FFQPVVAAQD TQLVLHYKVL SRLLDEQGQT IPAGRFLPWL DATA SEQUENCE ERFGWTARLD RLMLERVLEQ MAGHEESLAL NLSSATLADP QALNKVFEIL DATA SEQUENCE RAHSNLGARL TLEIGEEQLP EQAVLEQLTR RLRELGFSLS LQRFGGRFSM DATA SEQUENCE IGNLARLGLA YLKIDGSYIR AIDQESDKRL FIEAIQRAAH SIDLPLIAER DATA SEQUENCE VETEGELSVI REMGLYGVQG QLFGEPKPWG 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 219 A HA 0.000 nan 4.320 nan 0.000 0.244 219 A C 0.000 177.634 177.584 0.084 0.000 1.274 219 A CA 0.000 52.080 52.037 0.071 0.000 0.836 219 A CB 0.000 19.045 19.000 0.075 0.000 0.831 220 A N 1.656 124.500 122.820 0.040 0.000 2.084 220 A HA 0.047 4.367 4.320 0.001 0.000 0.221 220 A C 1.838 179.431 177.584 0.016 0.000 1.161 220 A CA 2.166 54.215 52.037 0.020 0.000 0.653 220 A CB -0.289 18.716 19.000 0.008 0.000 0.802 220 A HN 1.621 nan 8.150 nan 0.000 0.457 221 L N -1.536 119.708 121.223 0.035 0.000 1.982 221 L HA 0.023 4.364 4.340 0.001 0.000 0.206 221 L C 2.103 178.998 176.870 0.041 0.000 1.078 221 L CA 2.179 57.038 54.840 0.031 0.000 0.749 221 L CB -1.492 40.587 42.059 0.034 0.000 0.894 221 L HN 0.416 nan 8.230 nan 0.000 0.436 222 F N 0.951 120.855 119.950 -0.077 0.000 2.079 222 F HA -0.397 4.131 4.527 0.001 0.000 0.296 222 F C 2.549 178.268 175.800 -0.134 0.000 1.084 222 F CA 2.540 60.469 58.000 -0.118 0.000 1.236 222 F CB -0.612 38.316 39.000 -0.121 0.000 0.984 222 F HN 0.371 nan 8.300 nan 0.000 0.488 223 Q N -0.714 118.959 119.800 -0.212 0.000 2.124 223 Q HA -0.241 4.100 4.340 0.001 0.000 0.202 223 Q C 2.164 178.000 176.000 -0.274 0.000 0.977 223 Q CA 1.810 57.424 55.803 -0.316 0.000 0.850 223 Q CB -0.256 28.415 28.738 -0.112 0.000 0.901 223 Q HN 0.477 nan 8.270 nan 0.000 0.429 224 E N 0.319 120.418 120.200 -0.168 0.000 2.047 224 E HA -0.156 4.194 4.350 0.001 0.000 0.191 224 E C 1.799 178.308 176.600 -0.153 0.000 0.987 224 E CA 1.040 57.366 56.400 -0.124 0.000 0.799 224 E CB 0.170 29.830 29.700 -0.066 0.000 0.752 224 E HN 0.230 nan 8.360 nan 0.000 0.449 225 Q N -0.830 118.863 119.800 -0.179 0.000 2.500 225 Q HA 0.023 4.364 4.340 0.001 0.000 0.213 225 Q C 1.243 177.079 176.000 -0.275 0.000 0.974 225 Q CA 1.034 56.742 55.803 -0.159 0.000 0.918 225 Q CB 0.400 29.085 28.738 -0.088 0.000 0.980 225 Q HN 0.267 nan 8.270 nan 0.000 0.505 226 A N 0.013 122.537 122.820 -0.495 0.000 2.343 226 A HA 0.075 4.396 4.320 0.001 0.000 0.223 226 A C 1.569 179.013 177.584 -0.235 0.000 1.214 226 A CA -0.040 51.626 52.037 -0.618 0.000 0.900 226 A CB 0.360 18.562 19.000 -1.331 0.000 0.942 226 A HN 0.207 nan 8.150 nan 0.000 0.507 227 E N -0.165 119.934 120.200 -0.170 0.000 2.127 227 E HA 0.033 4.383 4.350 0.001 0.000 0.191 227 E C 1.898 178.492 176.600 -0.010 0.000 0.964 227 E CA 0.133 56.496 56.400 -0.061 0.000 0.832 227 E CB -0.028 29.633 29.700 -0.066 0.000 0.790 227 E HN 0.415 nan 8.360 nan 0.000 0.465 228 R N 0.827 121.312 120.500 -0.025 0.000 2.152 228 R HA -0.080 4.261 4.340 0.001 0.000 0.232 228 R C 2.536 178.878 176.300 0.070 0.000 1.117 228 R CA 1.429 57.537 56.100 0.013 0.000 0.981 228 R CB -0.157 30.143 30.300 -0.001 0.000 0.870 228 R HN 0.092 nan 8.270 nan 0.000 0.451 229 S N 0.430 116.191 115.700 0.101 0.000 2.406 229 S HA -0.031 4.440 4.470 0.001 0.000 0.224 229 S C 1.730 176.522 174.600 0.320 0.000 1.030 229 S CA 0.439 58.775 58.200 0.228 0.000 0.958 229 S CB 0.205 63.567 63.200 0.271 0.000 0.811 229 S HN 0.198 nan 8.310 nan 0.000 0.489 230 E N 1.283 121.625 120.200 0.238 0.000 2.152 230 E HA -0.103 4.248 4.350 0.001 0.000 0.192 230 E C 2.012 178.663 176.600 0.085 0.000 0.983 230 E CA 1.129 57.637 56.400 0.180 0.000 0.818 230 E CB -0.154 29.635 29.700 0.149 0.000 0.758 230 E HN 0.688 nan 8.360 nan 0.000 0.467 231 K N 1.436 121.874 120.400 0.063 0.000 2.103 231 K HA -0.173 4.148 4.320 0.001 0.000 0.207 231 K C 1.916 178.521 176.600 0.008 0.000 1.048 231 K CA 1.010 57.311 56.287 0.023 0.000 0.930 231 K CB -0.318 32.192 32.500 0.017 0.000 0.716 231 K HN 0.063 nan 8.250 nan 0.000 0.444 232 L N 0.683 121.940 121.223 0.057 0.000 2.418 232 L HA 0.192 4.533 4.340 0.001 0.000 0.218 232 L C 2.149 178.957 176.870 -0.102 0.000 1.125 232 L CA 1.162 56.025 54.840 0.039 0.000 0.835 232 L CB -0.471 41.684 42.059 0.160 0.000 0.953 232 L HN 0.245 nan 8.230 nan 0.000 0.454 233 R N -1.090 119.338 120.500 -0.120 0.000 2.065 233 R HA -0.114 4.227 4.340 0.001 0.000 0.224 233 R C 2.031 178.172 176.300 -0.266 0.000 1.161 233 R CA 1.942 57.807 56.100 -0.392 0.000 0.923 233 R CB -0.655 29.510 30.300 -0.226 0.000 0.822 233 R HN 0.264 nan 8.270 nan 0.000 0.437 234 T N 1.445 115.911 114.554 -0.146 0.000 2.680 234 T HA -0.181 4.170 4.350 0.001 0.000 0.268 234 T C 1.460 176.079 174.700 -0.135 0.000 1.033 234 T CA 1.728 63.758 62.100 -0.116 0.000 1.152 234 T CB -0.236 68.593 68.868 -0.065 0.000 0.859 234 T HN 0.291 nan 8.240 nan 0.000 0.452 235 E N 0.570 120.684 120.200 -0.143 0.000 2.274 235 E HA 0.022 4.373 4.350 0.001 0.000 0.194 235 E C 2.423 178.892 176.600 -0.218 0.000 0.996 235 E CA 0.628 56.946 56.400 -0.137 0.000 0.840 235 E CB -0.160 29.483 29.700 -0.095 0.000 0.772 235 E HN 0.467 nan 8.360 nan 0.000 0.491 236 S N -0.640 114.827 115.700 -0.388 0.000 2.468 236 S HA 0.051 4.521 4.470 0.001 0.000 0.226 236 S C 0.857 175.002 174.600 -0.758 0.000 1.051 236 S CA 0.230 58.014 58.200 -0.694 0.000 0.943 236 S CB 0.101 62.612 63.200 -1.149 0.000 0.810 236 S HN 0.229 nan 8.310 nan 0.000 0.509 237 Y N 0.743 120.957 120.300 -0.144 0.000 2.563 237 Y HA 0.501 5.052 4.550 0.001 0.000 0.250 237 Y C 0.331 176.134 175.900 -0.161 0.000 1.126 237 Y CA -0.861 57.161 58.100 -0.130 0.000 1.231 237 Y CB 0.219 38.500 38.460 -0.299 0.000 1.288 237 Y HN 0.125 nan 8.280 nan 0.000 0.537 238 Q N 1.467 121.237 119.800 -0.050 0.000 2.333 238 Q HA 0.273 4.614 4.340 0.001 0.000 0.265 238 Q C -1.286 174.705 176.000 -0.015 0.000 0.989 238 Q CA -0.652 55.125 55.803 -0.044 0.000 0.842 238 Q CB 1.158 29.854 28.738 -0.071 0.000 1.262 238 Q HN 0.191 nan 8.270 nan 0.000 0.451 239 D N 2.577 122.988 120.400 0.018 0.000 2.358 239 D HA 0.030 4.671 4.640 0.001 0.000 0.258 239 D C 0.256 176.564 176.300 0.014 0.000 1.223 239 D CA 0.165 54.181 54.000 0.026 0.000 0.886 239 D CB 0.828 41.663 40.800 0.058 0.000 1.120 239 D HN 0.578 nan 8.370 nan 0.000 0.482 240 N N 3.677 122.379 118.700 0.004 0.000 2.104 240 N HA -0.131 4.610 4.740 0.001 0.000 0.190 240 N C 1.355 176.870 175.510 0.008 0.000 1.024 240 N CA 0.849 53.898 53.050 -0.002 0.000 0.853 240 N CB -0.089 38.393 38.487 -0.008 0.000 1.008 240 N HN 0.474 nan 8.380 nan 0.000 0.424 241 L N 0.218 121.453 121.223 0.020 0.000 1.955 241 L HA -0.144 4.196 4.340 0.001 0.000 0.213 241 L C 2.217 179.105 176.870 0.031 0.000 1.072 241 L CA 2.327 57.184 54.840 0.029 0.000 0.755 241 L CB -2.062 40.024 42.059 0.045 0.000 0.888 241 L HN 0.424 nan 8.230 nan 0.000 0.432 242 T N -4.174 110.409 114.554 0.047 0.000 3.051 242 T HA 0.277 4.628 4.350 0.001 0.000 0.255 242 T C 1.542 176.247 174.700 0.009 0.000 1.085 242 T CA 0.773 62.893 62.100 0.033 0.000 1.109 242 T CB 0.620 69.529 68.868 0.068 0.000 0.921 242 T HN 0.504 nan 8.240 nan 0.000 0.488 243 G N 1.014 109.822 108.800 0.012 0.000 2.225 243 G HA2 -0.214 3.747 3.960 0.001 0.000 0.254 243 G HA3 -0.214 3.747 3.960 0.001 0.000 0.254 243 G C -0.041 174.859 174.900 0.000 0.000 0.988 243 G CA 0.168 45.266 45.100 -0.002 0.000 0.625 243 G HN 0.540 nan 8.290 nan 0.000 0.527 244 L N 1.451 122.684 121.223 0.018 0.000 2.461 244 L HA 0.652 4.993 4.340 0.001 0.000 0.259 244 L C 1.531 178.436 176.870 0.058 0.000 1.248 244 L CA 0.566 55.428 54.840 0.036 0.000 0.823 244 L CB -0.080 42.010 42.059 0.050 0.000 1.111 244 L HN 0.698 nan 8.230 nan 0.000 0.516 245 A N 1.056 123.938 122.820 0.103 0.000 2.445 245 A HA 0.366 4.687 4.320 0.001 0.000 0.242 245 A C 0.040 177.730 177.584 0.176 0.000 1.075 245 A CA -0.443 51.689 52.037 0.158 0.000 0.777 245 A CB -0.406 18.828 19.000 0.389 0.000 1.013 245 A HN 0.839 nan 8.150 nan 0.000 0.493 246 N N 0.631 119.444 118.700 0.188 0.000 2.445 246 N HA 0.100 4.840 4.740 0.001 0.000 0.264 246 N C 0.901 176.544 175.510 0.221 0.000 1.227 246 N CA -0.175 52.972 53.050 0.162 0.000 0.963 246 N CB 0.366 38.923 38.487 0.118 0.000 1.188 246 N HN 0.722 nan 8.380 nan 0.000 0.491 247 R N 0.092 120.678 120.500 0.144 0.000 2.139 247 R HA -0.223 4.118 4.340 0.001 0.000 0.243 247 R C 1.773 178.204 176.300 0.218 0.000 1.145 247 R CA 1.469 57.666 56.100 0.163 0.000 0.976 247 R CB -0.157 30.190 30.300 0.078 0.000 0.866 247 R HN 0.703 nan 8.270 nan 0.000 0.449 248 R N -0.159 120.460 120.500 0.198 0.000 2.083 248 R HA -0.224 4.117 4.340 0.001 0.000 0.237 248 R C 2.114 178.567 176.300 0.255 0.000 1.137 248 R CA 2.052 58.276 56.100 0.207 0.000 0.951 248 R CB -1.083 29.346 30.300 0.216 0.000 0.851 248 R HN 0.410 nan 8.270 nan 0.000 0.434 249 Y N 0.131 120.558 120.300 0.213 0.000 2.109 249 Y HA -0.170 4.380 4.550 0.001 0.000 0.285 249 Y C 1.894 177.812 175.900 0.031 0.000 1.131 249 Y CA 1.881 60.045 58.100 0.105 0.000 1.121 249 Y CB -1.001 37.547 38.460 0.147 0.000 0.987 249 Y HN 0.148 nan 8.280 nan 0.000 0.495 250 F N 1.520 121.473 119.950 0.006 0.000 2.032 250 F HA -0.360 4.168 4.527 0.001 0.000 0.297 250 F C 2.295 177.981 175.800 -0.190 0.000 1.125 250 F CA 2.684 60.614 58.000 -0.117 0.000 1.202 250 F CB -0.777 38.228 39.000 0.008 0.000 0.958 250 F HN 0.222 nan 8.300 nan 0.000 0.491 251 E N -0.223 119.961 120.200 -0.026 0.000 2.147 251 E HA -0.306 4.045 4.350 0.001 0.000 0.199 251 E C 2.207 178.646 176.600 -0.267 0.000 1.005 251 E CA 1.924 58.233 56.400 -0.151 0.000 0.810 251 E CB -0.356 29.349 29.700 0.008 0.000 0.736 251 E HN 0.558 nan 8.360 nan 0.000 0.460 252 M N 0.285 119.723 119.600 -0.270 0.000 2.213 252 M HA -0.196 4.284 4.480 0.001 0.000 0.263 252 M C 2.219 178.250 176.300 -0.449 0.000 1.062 252 M CA 1.173 56.281 55.300 -0.320 0.000 1.105 252 M CB -0.036 32.356 32.600 -0.346 0.000 1.385 252 M HN 0.014 nan 8.290 nan 0.000 0.417 253 Q N 0.219 119.651 119.800 -0.613 0.000 2.020 253 Q HA -0.093 4.248 4.340 0.001 0.000 0.198 253 Q C 2.193 177.897 176.000 -0.492 0.000 0.974 253 Q CA 1.279 56.721 55.803 -0.603 0.000 0.829 253 Q CB -0.828 27.491 28.738 -0.699 0.000 0.894 253 Q HN 0.406 nan 8.270 nan 0.000 0.433 254 L N 1.935 122.804 121.223 -0.591 0.000 1.989 254 L HA -0.185 4.155 4.340 0.001 0.000 0.211 254 L C 1.738 178.417 176.870 -0.319 0.000 1.071 254 L CA 1.814 56.362 54.840 -0.487 0.000 0.749 254 L CB -0.842 40.897 42.059 -0.533 0.000 0.890 254 L HN 0.250 nan 8.230 nan 0.000 0.431 255 N N -0.787 117.747 118.700 -0.277 0.000 2.289 255 N HA -0.124 4.617 4.740 0.001 0.000 0.184 255 N C 1.402 176.810 175.510 -0.170 0.000 1.016 255 N CA 1.169 54.106 53.050 -0.188 0.000 0.872 255 N CB -0.038 38.358 38.487 -0.151 0.000 0.973 255 N HN 0.494 nan 8.380 nan 0.000 0.433 256 A N 0.167 122.860 122.820 -0.212 0.000 2.275 256 A HA 0.158 4.478 4.320 0.001 0.000 0.212 256 A C 2.029 179.518 177.584 -0.159 0.000 1.201 256 A CA 0.141 52.069 52.037 -0.182 0.000 0.843 256 A CB 0.220 19.081 19.000 -0.232 0.000 0.873 256 A HN 0.100 nan 8.150 nan 0.000 0.492 257 R N -1.536 118.863 120.500 -0.169 0.000 2.144 257 R HA 0.126 4.467 4.340 0.001 0.000 0.195 257 R C 1.724 177.967 176.300 -0.094 0.000 1.077 257 R CA 0.903 56.919 56.100 -0.140 0.000 1.120 257 R CB 0.022 30.219 30.300 -0.171 0.000 1.060 257 R HN 0.193 nan 8.270 nan 0.000 0.520 258 V N 1.223 121.080 119.914 -0.096 0.000 2.363 258 V HA -0.318 3.802 4.120 0.001 0.000 0.254 258 V C 1.829 177.902 176.094 -0.035 0.000 1.074 258 V CA 2.384 64.654 62.300 -0.049 0.000 1.069 258 V CB -0.491 31.291 31.823 -0.067 0.000 0.659 258 V HN 0.359 nan 8.190 nan 0.000 0.455 259 S N -0.819 114.849 115.700 -0.054 0.000 2.428 259 S HA -0.078 4.392 4.470 0.001 0.000 0.230 259 S C 1.141 175.723 174.600 -0.031 0.000 1.014 259 S CA 0.427 58.605 58.200 -0.036 0.000 0.957 259 S CB -0.381 62.794 63.200 -0.043 0.000 0.784 259 S HN 0.705 nan 8.310 nan 0.000 0.499 260 N N 2.574 121.247 118.700 -0.045 0.000 2.500 260 N HA 0.137 4.878 4.740 0.001 0.000 0.236 260 N C -2.074 173.404 175.510 -0.054 0.000 1.022 260 N CA -1.939 51.086 53.050 -0.042 0.000 0.935 260 N CB 1.282 39.740 38.487 -0.050 0.000 1.147 260 N HN -0.029 nan 8.380 nan 0.000 0.512 261 P HA -0.213 nan 4.420 nan 0.000 0.219 261 P C 0.373 177.610 177.300 -0.104 0.000 1.153 261 P CA 1.576 64.636 63.100 -0.067 0.000 0.865 261 P CB 0.348 32.027 31.700 -0.035 0.000 0.788 262 E N -0.710 119.435 120.200 -0.091 0.000 2.478 262 E HA -0.023 4.328 4.350 0.001 0.000 0.194 262 E C 1.592 178.107 176.600 -0.141 0.000 1.045 262 E CA 0.460 56.783 56.400 -0.128 0.000 0.868 262 E CB -0.112 29.537 29.700 -0.085 0.000 0.885 262 E HN 0.533 nan 8.360 nan 0.000 0.505 263 Q N 0.011 119.742 119.800 -0.115 0.000 2.189 263 Q HA 0.358 4.699 4.340 0.001 0.000 0.223 263 Q C 0.208 176.148 176.000 -0.099 0.000 0.828 263 Q CA -0.112 55.625 55.803 -0.109 0.000 0.967 263 Q CB 1.619 30.302 28.738 -0.091 0.000 1.139 263 Q HN 0.065 nan 8.270 nan 0.000 0.497 264 A N -0.111 122.646 122.820 -0.104 0.000 2.430 264 A HA 0.666 4.987 4.320 0.001 0.000 0.300 264 A C -0.002 177.524 177.584 -0.097 0.000 1.124 264 A CA -0.451 51.553 52.037 -0.056 0.000 0.766 264 A CB 1.997 20.988 19.000 -0.016 0.000 1.328 264 A HN -0.077 nan 8.150 nan 0.000 0.424 265 S N -0.502 115.214 115.700 0.026 0.000 3.051 265 S HA 0.222 4.692 4.470 0.001 0.000 0.250 265 S C 0.183 174.839 174.600 0.093 0.000 0.906 265 S CA 0.133 58.429 58.200 0.160 0.000 1.234 265 S CB -0.155 63.206 63.200 0.269 0.000 1.175 265 S HN 0.841 nan 8.310 nan 0.000 0.635 266 S N 1.209 116.855 115.700 -0.090 0.000 2.549 266 S HA 0.638 5.109 4.470 0.001 0.000 0.286 266 S C 0.532 174.765 174.600 -0.611 0.000 1.314 266 S CA 0.943 58.926 58.200 -0.361 0.000 1.062 266 S CB 0.637 63.684 63.200 -0.255 0.000 0.865 266 S HN 0.814 nan 8.310 nan 0.000 0.498 267 G N 2.347 110.500 108.800 -1.079 0.000 2.325 267 G HA2 0.402 4.363 3.960 0.001 0.000 0.295 267 G HA3 0.402 4.363 3.960 0.001 0.000 0.295 267 G C -2.362 171.964 174.900 -0.958 0.000 1.274 267 G CA -0.611 43.968 45.100 -0.868 0.000 0.857 267 G HN 0.543 nan 8.290 nan 0.000 0.499 268 Y N -1.287 118.884 120.300 -0.214 0.000 2.545 268 Y HA 0.785 5.336 4.550 0.001 0.000 0.348 268 Y C -0.709 175.363 175.900 0.287 0.000 1.002 268 Y CA -0.854 57.274 58.100 0.048 0.000 1.039 268 Y CB 2.441 40.854 38.460 -0.079 0.000 1.271 268 Y HN 0.598 nan 8.280 nan 0.000 0.467 269 L N 3.753 125.292 121.223 0.526 0.000 2.385 269 L HA 0.611 4.952 4.340 0.001 0.000 0.273 269 L C -1.805 175.194 176.870 0.214 0.000 0.990 269 L CA -0.635 54.396 54.840 0.317 0.000 0.821 269 L CB 1.583 43.781 42.059 0.232 0.000 1.279 269 L HN 0.641 nan 8.230 nan 0.000 0.412 270 L N 5.676 126.969 121.223 0.116 0.000 2.280 270 L HA 0.559 4.899 4.340 0.001 0.000 0.287 270 L C -1.341 175.551 176.870 0.036 0.000 1.023 270 L CA -0.266 54.604 54.840 0.049 0.000 0.819 270 L CB 0.866 42.922 42.059 -0.006 0.000 1.212 270 L HN 0.571 nan 8.230 nan 0.000 0.420 271 L N 6.512 127.761 121.223 0.044 0.000 2.325 271 L HA 0.508 4.848 4.340 0.001 0.000 0.281 271 L C -0.838 176.060 176.870 0.046 0.000 1.004 271 L CA -0.525 54.331 54.840 0.027 0.000 0.823 271 L CB 1.960 44.033 42.059 0.024 0.000 1.236 271 L HN 0.565 nan 8.230 nan 0.000 0.415 272 L N 5.396 126.658 121.223 0.064 0.000 2.333 272 L HA 0.607 4.947 4.340 0.001 0.000 0.280 272 L C -0.491 176.419 176.870 0.067 0.000 1.004 272 L CA -0.529 54.370 54.840 0.099 0.000 0.820 272 L CB 1.571 43.733 42.059 0.172 0.000 1.247 272 L HN 0.689 nan 8.230 nan 0.000 0.416 273 R N 4.549 125.073 120.500 0.040 0.000 2.562 273 R HA 0.683 5.024 4.340 0.001 0.000 0.298 273 R C -1.718 174.600 176.300 0.031 0.000 0.961 273 R CA -0.676 55.423 56.100 -0.002 0.000 0.881 273 R CB 1.899 32.185 30.300 -0.024 0.000 1.159 273 R HN 0.447 nan 8.270 nan 0.000 0.450 274 V N 3.797 123.724 119.914 0.022 0.000 2.583 274 V HA 0.167 4.287 4.120 0.001 0.000 0.287 274 V C 0.350 176.458 176.094 0.024 0.000 1.051 274 V CA -0.498 61.831 62.300 0.048 0.000 1.010 274 V CB 1.101 32.961 31.823 0.062 0.000 0.988 274 V HN 0.746 nan 8.190 nan 0.000 0.478 275 K N 3.144 123.562 120.400 0.030 0.000 2.383 275 K HA 0.161 4.482 4.320 0.001 0.000 0.286 275 K C 0.000 176.611 176.600 0.018 0.000 1.051 275 K CA 0.090 56.388 56.287 0.018 0.000 0.974 275 K CB 0.049 32.558 32.500 0.015 0.000 0.968 275 K HN 0.805 nan 8.250 nan 0.000 0.475 276 D N 2.842 123.247 120.400 0.008 0.000 2.872 276 D HA -0.184 4.457 4.640 0.001 0.000 0.248 276 D C 0.462 176.767 176.300 0.009 0.000 1.104 276 D CA 0.177 54.182 54.000 0.008 0.000 0.784 276 D CB -0.758 40.051 40.800 0.014 0.000 1.036 276 D HN 0.550 nan 8.370 nan 0.000 0.426 277 L N 0.556 121.779 121.223 0.000 0.000 1.994 277 L HA -0.178 4.163 4.340 0.001 0.000 0.208 277 L C 2.444 179.314 176.870 0.000 0.000 1.071 277 L CA 2.092 56.931 54.840 -0.002 0.000 0.745 277 L CB -0.736 41.313 42.059 -0.018 0.000 0.892 277 L HN 0.485 nan 8.230 nan 0.000 0.431 278 A N -0.099 122.719 122.820 -0.004 0.000 1.865 278 A HA -0.191 4.129 4.320 0.001 0.000 0.217 278 A C 2.314 179.900 177.584 0.003 0.000 1.191 278 A CA 1.873 53.909 52.037 -0.003 0.000 0.623 278 A CB -1.464 17.534 19.000 -0.005 0.000 0.826 278 A HN 0.514 nan 8.150 nan 0.000 0.444 279 G N -0.333 108.470 108.800 0.005 0.000 2.513 279 G HA2 -0.222 3.739 3.960 0.001 0.000 0.219 279 G HA3 -0.222 3.739 3.960 0.001 0.000 0.219 279 G C 1.375 176.284 174.900 0.014 0.000 1.160 279 G CA 1.362 46.468 45.100 0.010 0.000 0.767 279 G HN 0.340 nan 8.290 nan 0.000 0.571 280 L N 0.841 122.074 121.223 0.017 0.000 2.046 280 L HA -0.007 4.334 4.340 0.001 0.000 0.208 280 L C 2.438 179.317 176.870 0.015 0.000 1.077 280 L CA 1.567 56.419 54.840 0.021 0.000 0.747 280 L CB -1.325 40.749 42.059 0.026 0.000 0.896 280 L HN 0.184 nan 8.230 nan 0.000 0.432 281 N N -1.247 117.459 118.700 0.010 0.000 2.188 281 N HA -0.181 4.560 4.740 0.001 0.000 0.184 281 N C 1.845 177.358 175.510 0.005 0.000 1.018 281 N CA 0.893 53.947 53.050 0.006 0.000 0.858 281 N CB 0.071 38.559 38.487 0.002 0.000 0.989 281 N HN 0.382 nan 8.380 nan 0.000 0.426 282 Q N 0.147 119.950 119.800 0.006 0.000 1.961 282 Q HA 0.026 4.367 4.340 0.001 0.000 0.197 282 Q C 1.938 177.941 176.000 0.006 0.000 0.977 282 Q CA 0.986 56.792 55.803 0.005 0.000 0.830 282 Q CB -0.036 28.705 28.738 0.004 0.000 0.896 282 Q HN 0.165 nan 8.270 nan 0.000 0.437 283 R N -0.340 120.165 120.500 0.009 0.000 2.303 283 R HA -0.073 4.267 4.340 0.001 0.000 0.225 283 R C 1.230 177.535 176.300 0.009 0.000 1.114 283 R CA 0.926 57.032 56.100 0.011 0.000 1.007 283 R CB 0.118 30.427 30.300 0.016 0.000 0.861 283 R HN 0.349 nan 8.270 nan 0.000 0.471 284 L N -1.501 119.728 121.223 0.009 0.000 3.500 284 L HA 0.266 4.607 4.340 0.001 0.000 0.320 284 L C -0.105 176.768 176.870 0.006 0.000 1.205 284 L CA 0.315 55.160 54.840 0.007 0.000 1.117 284 L CB 0.964 43.029 42.059 0.011 0.000 1.542 284 L HN 0.390 nan 8.230 nan 0.000 0.622 285 G N -0.440 108.363 108.800 0.006 0.000 2.750 285 G HA2 -0.218 3.743 3.960 0.001 0.000 0.686 285 G HA3 -0.218 3.743 3.960 0.001 0.000 0.686 285 G C 0.788 175.691 174.900 0.005 0.000 1.395 285 G CA -0.197 44.906 45.100 0.004 0.000 0.918 285 G HN 0.360 nan 8.290 nan 0.000 0.594 286 G N -0.243 108.559 108.800 0.003 0.000 2.513 286 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 286 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 286 G C 1.541 176.444 174.900 0.006 0.000 1.160 286 G CA 1.884 46.986 45.100 0.004 0.000 0.767 286 G HN 0.856 nan 8.290 nan 0.000 0.571 287 Q N -0.255 119.547 119.800 0.004 0.000 2.002 287 Q HA -0.109 4.231 4.340 0.001 0.000 0.204 287 Q C 2.688 178.692 176.000 0.007 0.000 0.988 287 Q CA 1.560 57.366 55.803 0.005 0.000 0.843 287 Q CB -0.192 28.547 28.738 0.002 0.000 0.908 287 Q HN 0.477 nan 8.270 nan 0.000 0.420 288 R N -0.351 120.153 120.500 0.006 0.000 2.285 288 R HA -0.060 4.280 4.340 0.001 0.000 0.213 288 R C 1.974 178.282 176.300 0.013 0.000 1.068 288 R CA 1.290 57.394 56.100 0.007 0.000 1.004 288 R CB 0.057 30.360 30.300 0.003 0.000 0.873 288 R HN 0.146 nan 8.270 nan 0.000 0.467 289 T N 0.341 114.904 114.554 0.015 0.000 2.770 289 T HA -0.068 4.283 4.350 0.001 0.000 0.258 289 T C 0.937 175.655 174.700 0.029 0.000 1.039 289 T CA 1.260 63.373 62.100 0.022 0.000 1.143 289 T CB -0.208 68.670 68.868 0.017 0.000 0.866 289 T HN 0.238 nan 8.240 nan 0.000 0.428 290 D N 1.242 121.656 120.400 0.023 0.000 2.126 290 D HA -0.119 4.522 4.640 0.001 0.000 0.190 290 D C 2.186 178.506 176.300 0.033 0.000 1.001 290 D CA 1.276 55.294 54.000 0.029 0.000 0.841 290 D CB -0.251 40.560 40.800 0.019 0.000 0.949 290 D HN 0.517 nan 8.370 nan 0.000 0.446 291 E N -0.257 119.956 120.200 0.022 0.000 2.130 291 E HA -0.200 4.150 4.350 0.001 0.000 0.196 291 E C 2.045 178.660 176.600 0.025 0.000 0.998 291 E CA 0.441 56.852 56.400 0.018 0.000 0.806 291 E CB -0.133 29.573 29.700 0.010 0.000 0.738 291 E HN 0.147 nan 8.360 nan 0.000 0.459 292 L N 0.992 122.235 121.223 0.033 0.000 2.046 292 L HA -0.176 4.165 4.340 0.001 0.000 0.208 292 L C 1.969 178.877 176.870 0.063 0.000 1.077 292 L CA 1.646 56.512 54.840 0.043 0.000 0.747 292 L CB -0.338 41.751 42.059 0.050 0.000 0.896 292 L HN 0.132 nan 8.230 nan 0.000 0.432 293 L N -1.285 119.996 121.223 0.097 0.000 2.141 293 L HA -0.175 4.166 4.340 0.001 0.000 0.209 293 L C 2.519 179.444 176.870 0.092 0.000 1.094 293 L CA 1.146 56.094 54.840 0.179 0.000 0.763 293 L CB -0.865 41.345 42.059 0.251 0.000 0.908 293 L HN 0.225 nan 8.230 nan 0.000 0.437 294 K N 0.884 121.315 120.400 0.051 0.000 2.063 294 K HA -0.156 4.164 4.320 0.001 0.000 0.208 294 K C 2.181 178.764 176.600 -0.028 0.000 1.048 294 K CA 1.554 57.845 56.287 0.006 0.000 0.928 294 K CB -0.206 32.299 32.500 0.009 0.000 0.713 294 K HN 0.320 nan 8.250 nan 0.000 0.442 295 A N -0.010 122.802 122.820 -0.013 0.000 2.121 295 A HA -0.057 4.264 4.320 0.001 0.000 0.218 295 A C 1.941 179.493 177.584 -0.053 0.000 1.154 295 A CA 1.159 53.182 52.037 -0.023 0.000 0.679 295 A CB 0.022 19.021 19.000 -0.001 0.000 0.795 295 A HN 0.115 nan 8.150 nan 0.000 0.458 296 V N -1.466 118.394 119.914 -0.090 0.000 3.048 296 V HA 0.079 4.200 4.120 0.001 0.000 0.241 296 V C 2.689 178.572 176.094 -0.351 0.000 1.129 296 V CA 0.837 63.034 62.300 -0.171 0.000 1.128 296 V CB -1.083 30.663 31.823 -0.128 0.000 0.849 296 V HN 0.486 nan 8.190 nan 0.000 0.475 297 G N 0.600 109.140 108.800 -0.434 0.000 2.631 297 G HA2 -0.408 3.553 3.960 0.001 0.000 0.219 297 G HA3 -0.408 3.553 3.960 0.001 0.000 0.219 297 G C 1.381 176.132 174.900 -0.249 0.000 1.214 297 G CA 1.660 46.500 45.100 -0.433 0.000 0.785 297 G HN 0.575 nan 8.290 nan 0.000 0.596 298 E N -0.582 119.526 120.200 -0.153 0.000 2.035 298 E HA -0.276 4.075 4.350 0.001 0.000 0.204 298 E C 2.532 179.072 176.600 -0.100 0.000 1.025 298 E CA 1.646 57.986 56.400 -0.100 0.000 0.835 298 E CB -0.244 29.415 29.700 -0.068 0.000 0.764 298 E HN 0.388 nan 8.360 nan 0.000 0.457 299 Q N -0.014 119.726 119.800 -0.101 0.000 2.234 299 Q HA -0.171 4.170 4.340 0.001 0.000 0.206 299 Q C 2.208 178.152 176.000 -0.092 0.000 0.980 299 Q CA 0.838 56.593 55.803 -0.080 0.000 0.869 299 Q CB -0.218 28.482 28.738 -0.063 0.000 0.912 299 Q HN 0.326 nan 8.270 nan 0.000 0.436 300 L N 0.195 121.331 121.223 -0.145 0.000 1.988 300 L HA -0.111 4.229 4.340 0.001 0.000 0.207 300 L C 2.208 179.026 176.870 -0.087 0.000 1.071 300 L CA 1.817 56.573 54.840 -0.140 0.000 0.744 300 L CB -0.964 40.952 42.059 -0.239 0.000 0.893 300 L HN -0.004 nan 8.230 nan 0.000 0.433 301 S N -0.174 115.470 115.700 -0.092 0.000 2.372 301 S HA -0.250 4.221 4.470 0.001 0.000 0.227 301 S C 2.004 176.587 174.600 -0.027 0.000 1.044 301 S CA 1.550 59.720 58.200 -0.049 0.000 1.050 301 S CB -0.457 62.712 63.200 -0.051 0.000 0.901 301 S HN 0.400 nan 8.310 nan 0.000 0.447 302 R N 0.864 121.341 120.500 -0.037 0.000 2.096 302 R HA -0.090 4.250 4.340 0.001 0.000 0.240 302 R C 2.120 178.413 176.300 -0.012 0.000 1.139 302 R CA 1.279 57.363 56.100 -0.027 0.000 0.952 302 R CB -0.421 29.859 30.300 -0.033 0.000 0.854 302 R HN 0.446 nan 8.270 nan 0.000 0.436 303 E N -0.197 119.998 120.200 -0.008 0.000 2.274 303 E HA -0.092 4.259 4.350 0.001 0.000 0.194 303 E C 1.767 178.433 176.600 0.112 0.000 0.996 303 E CA 0.662 57.078 56.400 0.026 0.000 0.840 303 E CB -0.050 29.649 29.700 -0.001 0.000 0.772 303 E HN 0.335 nan 8.360 nan 0.000 0.491 304 C N 0.530 119.881 119.300 0.085 0.000 2.697 304 C HA 0.320 4.781 4.460 0.001 0.000 0.267 304 C C 2.472 177.548 174.990 0.143 0.000 1.278 304 C CA -0.001 59.110 59.018 0.155 0.000 1.708 304 C CB -0.865 26.909 27.740 0.058 0.000 1.860 304 C HN 0.403 nan 8.230 nan 0.000 0.589 305 A N 2.305 125.159 122.820 0.056 0.000 1.858 305 A HA -0.198 4.123 4.320 0.001 0.000 0.216 305 A C 2.113 179.666 177.584 -0.052 0.000 1.190 305 A CA 1.596 53.635 52.037 0.003 0.000 0.617 305 A CB -0.440 18.547 19.000 -0.023 0.000 0.827 305 A HN 0.689 nan 8.150 nan 0.000 0.443 306 K N -1.339 118.971 120.400 -0.149 0.000 2.228 306 K HA -0.186 4.134 4.320 0.001 0.000 0.205 306 K C -0.529 175.730 176.600 -0.569 0.000 1.045 306 K CA 1.274 57.307 56.287 -0.423 0.000 0.931 306 K CB -0.474 31.614 32.500 -0.686 0.000 0.727 306 K HN 0.653 nan 8.250 nan 0.000 0.458 307 Y N -0.132 120.136 120.300 -0.054 0.000 2.402 307 Y HA 0.221 4.772 4.550 0.001 0.000 0.332 307 Y C -1.990 173.885 175.900 -0.043 0.000 0.960 307 Y CA -2.931 55.135 58.100 -0.057 0.000 1.228 307 Y CB 1.482 39.905 38.460 -0.062 0.000 1.120 307 Y HN -0.143 nan 8.280 nan 0.000 0.491 308 P HA -0.127 nan 4.420 nan 0.000 0.219 308 P C 0.731 178.050 177.300 0.032 0.000 1.150 308 P CA 1.370 64.485 63.100 0.025 0.000 0.814 308 P CB 0.442 32.136 31.700 -0.009 0.000 0.787 309 E N -0.623 119.596 120.200 0.032 0.000 2.118 309 E HA -0.187 4.164 4.350 0.001 0.000 0.195 309 E C 1.977 178.598 176.600 0.034 0.000 0.992 309 E CA 1.861 58.267 56.400 0.011 0.000 0.804 309 E CB -1.956 27.737 29.700 -0.012 0.000 0.741 309 E HN 0.300 nan 8.360 nan 0.000 0.458 310 T N -0.410 114.181 114.554 0.062 0.000 2.929 310 T HA -0.232 4.119 4.350 0.001 0.000 0.271 310 T C 1.007 175.750 174.700 0.073 0.000 1.085 310 T CA 0.603 62.746 62.100 0.072 0.000 1.125 310 T CB -0.414 68.501 68.868 0.079 0.000 0.874 310 T HN 0.337 nan 8.240 nan 0.000 0.494 311 Q N 0.985 120.821 119.800 0.059 0.000 2.283 311 Q HA -0.000 4.340 4.340 0.001 0.000 0.301 311 Q C 0.380 176.422 176.000 0.070 0.000 1.063 311 Q CA 0.775 56.611 55.803 0.055 0.000 0.952 311 Q CB -0.034 28.726 28.738 0.037 0.000 1.166 311 Q HN 0.465 nan 8.270 nan 0.000 0.381 312 N N 1.699 120.451 118.700 0.087 0.000 2.984 312 N HA -0.196 4.544 4.740 0.001 0.000 0.227 312 N C -0.387 175.248 175.510 0.209 0.000 0.903 312 N CA 1.506 54.636 53.050 0.132 0.000 0.995 312 N CB -1.149 37.416 38.487 0.130 0.000 1.065 312 N HN 0.700 nan 8.380 nan 0.000 0.585 313 L N -0.179 121.146 121.223 0.170 0.000 2.769 313 L HA 0.350 4.691 4.340 0.001 0.000 0.240 313 L C -0.274 176.754 176.870 0.262 0.000 1.163 313 L CA -0.080 54.901 54.840 0.235 0.000 0.962 313 L CB 0.734 42.889 42.059 0.160 0.000 1.258 313 L HN -0.093 nan 8.230 nan 0.000 0.513 314 V N 0.219 120.231 119.914 0.163 0.000 2.406 314 V HA 0.428 4.549 4.120 0.001 0.000 0.272 314 V C 0.378 176.528 176.094 0.093 0.000 1.043 314 V CA -0.156 62.196 62.300 0.087 0.000 0.915 314 V CB 1.120 32.962 31.823 0.032 0.000 0.988 314 V HN 0.367 nan 8.190 nan 0.000 0.466 315 T N 3.227 117.803 114.554 0.037 0.000 2.864 315 T HA 0.638 4.989 4.350 0.001 0.000 0.299 315 T C -0.773 173.980 174.700 0.089 0.000 1.166 315 T CA -1.037 61.099 62.100 0.060 0.000 1.007 315 T CB 2.109 71.007 68.868 0.049 0.000 1.219 315 T HN 0.741 nan 8.240 nan 0.000 0.506 316 R N 3.131 123.731 120.500 0.167 0.000 2.337 316 R HA 0.435 4.776 4.340 0.001 0.000 0.319 316 R C 0.641 176.915 176.300 -0.043 0.000 0.954 316 R CA -0.928 55.292 56.100 0.200 0.000 0.840 316 R CB 0.441 30.999 30.300 0.430 0.000 1.164 316 R HN 0.608 nan 8.270 nan 0.000 0.472 317 I N 1.814 122.289 120.570 -0.157 0.000 2.202 317 I HA 0.023 4.194 4.170 0.001 0.000 0.242 317 I C 0.909 176.949 176.117 -0.127 0.000 1.091 317 I CA 1.036 62.256 61.300 -0.133 0.000 1.368 317 I CB -0.972 36.936 38.000 -0.153 0.000 1.058 317 I HN 0.676 nan 8.210 nan 0.000 0.410 318 R N -0.817 119.559 120.500 -0.207 0.000 2.710 318 R HA 0.507 4.847 4.340 0.001 0.000 0.270 318 R C -0.380 175.769 176.300 -0.251 0.000 1.021 318 R CA -0.476 55.521 56.100 -0.171 0.000 0.889 318 R CB 1.981 32.199 30.300 -0.136 0.000 1.243 318 R HN 0.181 nan 8.270 nan 0.000 0.464 319 G N -0.135 108.561 108.800 -0.173 0.000 2.305 319 G HA2 0.327 4.288 3.960 0.001 0.000 0.243 319 G HA3 0.327 4.288 3.960 0.001 0.000 0.243 319 G C 0.927 175.684 174.900 -0.238 0.000 1.288 319 G CA 0.863 45.856 45.100 -0.179 0.000 0.901 319 G HN 0.904 nan 8.290 nan 0.000 0.516 320 G N 1.144 109.749 108.800 -0.325 0.000 2.217 320 G HA2 -0.239 3.722 3.960 0.001 0.000 0.246 320 G HA3 -0.239 3.722 3.960 0.001 0.000 0.246 320 G C 0.257 174.893 174.900 -0.440 0.000 0.990 320 G CA 0.635 45.571 45.100 -0.273 0.000 0.627 320 G HN 0.908 nan 8.290 nan 0.000 0.522 321 E N -0.524 119.245 120.200 -0.718 0.000 2.246 321 E HA 0.676 5.027 4.350 0.001 0.000 0.266 321 E C -1.039 175.087 176.600 -0.789 0.000 0.880 321 E CA -0.820 55.244 56.400 -0.561 0.000 0.762 321 E CB 1.213 30.738 29.700 -0.292 0.000 1.180 321 E HN 0.115 nan 8.360 nan 0.000 0.416 322 F N 1.256 121.155 119.950 -0.086 0.000 2.620 322 F HA 0.848 5.376 4.527 0.001 0.000 0.320 322 F C -0.021 175.673 175.800 -0.177 0.000 1.069 322 F CA -0.828 57.096 58.000 -0.127 0.000 0.953 322 F CB 2.046 40.992 39.000 -0.090 0.000 1.322 322 F HN 0.448 nan 8.300 nan 0.000 0.479 323 A N 0.414 123.188 122.820 -0.077 0.000 2.572 323 A HA 0.874 5.195 4.320 0.001 0.000 0.295 323 A C -2.049 175.413 177.584 -0.204 0.000 1.072 323 A CA -0.773 51.129 52.037 -0.226 0.000 0.691 323 A CB 1.735 20.431 19.000 -0.506 0.000 1.291 323 A HN 0.556 nan 8.150 nan 0.000 0.404 324 V N 2.076 121.961 119.914 -0.047 0.000 2.525 324 V HA 0.396 4.517 4.120 0.001 0.000 0.299 324 V C -0.489 175.723 176.094 0.196 0.000 1.034 324 V CA -0.463 61.883 62.300 0.077 0.000 0.863 324 V CB 1.674 33.514 31.823 0.029 0.000 0.999 324 V HN 0.817 nan 8.190 nan 0.000 0.423 325 L N 4.476 125.903 121.223 0.340 0.000 2.260 325 L HA 0.641 4.982 4.340 0.001 0.000 0.289 325 L C 0.518 177.492 176.870 0.173 0.000 1.057 325 L CA -0.250 54.742 54.840 0.254 0.000 0.811 325 L CB 1.326 43.464 42.059 0.131 0.000 1.184 325 L HN 0.853 nan 8.230 nan 0.000 0.429 326 A N 7.470 130.403 122.820 0.187 0.000 2.969 326 A HA 0.528 4.849 4.320 0.001 0.000 0.328 326 A C -2.431 175.209 177.584 0.094 0.000 1.355 326 A CA -1.464 50.631 52.037 0.096 0.000 1.018 326 A CB -0.208 18.791 19.000 -0.001 0.000 1.159 326 A HN 0.465 nan 8.150 nan 0.000 0.505 327 P HA 0.235 nan 4.420 nan 0.000 0.266 327 P C 1.014 178.244 177.300 -0.117 0.000 1.195 327 P CA 1.497 64.626 63.100 0.047 0.000 0.768 327 P CB 0.660 32.381 31.700 0.035 0.000 0.838 328 G N 2.022 110.671 108.800 -0.251 0.000 2.323 328 G HA2 -0.280 3.681 3.960 0.001 0.000 0.292 328 G HA3 -0.280 3.681 3.960 0.001 0.000 0.292 328 G C -0.105 174.589 174.900 -0.342 0.000 1.040 328 G CA 0.181 45.055 45.100 -0.377 0.000 0.942 328 G HN 0.615 nan 8.290 nan 0.000 0.506 329 M N 1.482 120.938 119.600 -0.241 0.000 2.336 329 M HA 0.595 5.076 4.480 0.001 0.000 0.342 329 M C 0.883 177.138 176.300 -0.076 0.000 1.128 329 M CA -0.345 54.875 55.300 -0.133 0.000 1.016 329 M CB 1.167 33.740 32.600 -0.045 0.000 1.665 329 M HN 0.383 nan 8.290 nan 0.000 0.445 330 T N 1.635 116.126 114.554 -0.105 0.000 2.901 330 T HA 0.197 4.548 4.350 0.001 0.000 0.301 330 T C 1.022 175.744 174.700 0.037 0.000 1.012 330 T CA -0.529 61.542 62.100 -0.049 0.000 1.135 330 T CB 0.924 69.754 68.868 -0.062 0.000 0.936 330 T HN 0.954 nan 8.240 nan 0.000 0.539 331 R N 2.107 122.696 120.500 0.149 0.000 2.091 331 R HA -0.153 4.188 4.340 0.001 0.000 0.238 331 R C 1.634 177.904 176.300 -0.050 0.000 1.136 331 R CA 1.570 57.767 56.100 0.162 0.000 0.959 331 R CB -0.380 30.052 30.300 0.220 0.000 0.856 331 R HN 0.728 nan 8.270 nan 0.000 0.437 332 E N 0.979 121.168 120.200 -0.018 0.000 2.110 332 E HA -0.186 4.165 4.350 0.001 0.000 0.193 332 E C 1.908 178.457 176.600 -0.085 0.000 0.988 332 E CA 1.089 57.463 56.400 -0.042 0.000 0.804 332 E CB -0.163 29.526 29.700 -0.020 0.000 0.745 332 E HN 0.541 nan 8.360 nan 0.000 0.458 333 E N 0.882 121.033 120.200 -0.081 0.000 2.077 333 E HA -0.127 4.223 4.350 0.001 0.000 0.193 333 E C 2.083 178.542 176.600 -0.235 0.000 0.989 333 E CA 1.010 57.371 56.400 -0.066 0.000 0.800 333 E CB -0.175 29.528 29.700 0.006 0.000 0.746 333 E HN 0.228 nan 8.360 nan 0.000 0.452 334 A N 1.471 124.056 122.820 -0.392 0.000 1.877 334 A HA -0.142 4.178 4.320 0.001 0.000 0.216 334 A C 2.383 179.690 177.584 -0.461 0.000 1.186 334 A CA 1.061 52.724 52.037 -0.624 0.000 0.620 334 A CB -0.727 17.523 19.000 -1.250 0.000 0.822 334 A HN 0.147 nan 8.150 nan 0.000 0.443 335 L N -0.568 120.452 121.223 -0.338 0.000 2.046 335 L HA -0.266 4.075 4.340 0.001 0.000 0.208 335 L C 2.960 179.591 176.870 -0.398 0.000 1.077 335 L CA 1.954 56.597 54.840 -0.327 0.000 0.747 335 L CB -0.676 41.292 42.059 -0.152 0.000 0.896 335 L HN 0.689 nan 8.230 nan 0.000 0.432 336 Q N 0.452 120.100 119.800 -0.254 0.000 2.124 336 Q HA -0.251 4.090 4.340 0.001 0.000 0.202 336 Q C 2.291 178.161 176.000 -0.217 0.000 0.977 336 Q CA 1.601 57.285 55.803 -0.198 0.000 0.850 336 Q CB -0.184 28.504 28.738 -0.084 0.000 0.901 336 Q HN 0.402 nan 8.270 nan 0.000 0.429 337 L N 0.965 122.052 121.223 -0.227 0.000 2.046 337 L HA -0.031 4.310 4.340 0.001 0.000 0.208 337 L C 2.253 178.947 176.870 -0.294 0.000 1.077 337 L CA 2.317 57.026 54.840 -0.219 0.000 0.747 337 L CB -1.299 40.518 42.059 -0.403 0.000 0.896 337 L HN 0.266 nan 8.230 nan 0.000 0.432 338 A N -0.677 121.885 122.820 -0.429 0.000 1.877 338 A HA -0.238 4.083 4.320 0.001 0.000 0.216 338 A C 2.145 179.354 177.584 -0.626 0.000 1.186 338 A CA 1.783 53.516 52.037 -0.507 0.000 0.620 338 A CB -0.584 18.025 19.000 -0.651 0.000 0.822 338 A HN 0.691 nan 8.150 nan 0.000 0.443 339 Q N -0.216 119.116 119.800 -0.779 0.000 2.084 339 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 339 Q C 2.474 178.312 176.000 -0.271 0.000 0.978 339 Q CA 1.811 57.259 55.803 -0.592 0.000 0.844 339 Q CB -0.382 28.076 28.738 -0.466 0.000 0.898 339 Q HN 0.773 nan 8.270 nan 0.000 0.426 340 S N 1.041 116.613 115.700 -0.214 0.000 2.368 340 S HA -0.155 4.315 4.470 0.001 0.000 0.225 340 S C 1.970 176.511 174.600 -0.098 0.000 1.030 340 S CA 0.972 59.103 58.200 -0.115 0.000 0.999 340 S CB -0.245 62.908 63.200 -0.077 0.000 0.844 340 S HN 0.329 nan 8.310 nan 0.000 0.459 341 L N 2.544 123.692 121.223 -0.125 0.000 2.046 341 L HA 0.007 4.347 4.340 0.001 0.000 0.208 341 L C 2.131 178.961 176.870 -0.066 0.000 1.077 341 L CA 2.633 57.419 54.840 -0.090 0.000 0.747 341 L CB -1.617 40.379 42.059 -0.105 0.000 0.896 341 L HN 0.459 nan 8.230 nan 0.000 0.432 342 D N -1.039 119.306 120.400 -0.090 0.000 2.117 342 D HA -0.159 4.481 4.640 0.001 0.000 0.197 342 D C 1.899 178.204 176.300 0.008 0.000 0.987 342 D CA 1.640 55.633 54.000 -0.011 0.000 0.829 342 D CB 0.015 40.837 40.800 0.037 0.000 0.961 342 D HN 0.431 nan 8.370 nan 0.000 0.460 343 S N 0.021 115.711 115.700 -0.016 0.000 2.382 343 S HA -0.060 4.410 4.470 0.001 0.000 0.228 343 S C 2.166 176.768 174.600 0.004 0.000 1.027 343 S CA 1.101 59.303 58.200 0.003 0.000 0.991 343 S CB -0.450 62.744 63.200 -0.010 0.000 0.823 343 S HN 0.492 nan 8.310 nan 0.000 0.469 344 A N 1.179 123.992 122.820 -0.011 0.000 1.968 344 A HA 0.184 4.505 4.320 0.001 0.000 0.217 344 A C 2.054 179.640 177.584 0.003 0.000 1.169 344 A CA 0.688 52.721 52.037 -0.008 0.000 0.638 344 A CB -0.547 18.439 19.000 -0.022 0.000 0.812 344 A HN 0.436 nan 8.150 nan 0.000 0.446 345 L N 0.466 121.693 121.223 0.006 0.000 2.141 345 L HA -0.139 4.202 4.340 0.001 0.000 0.209 345 L C 2.880 179.776 176.870 0.044 0.000 1.094 345 L CA 1.505 56.356 54.840 0.018 0.000 0.763 345 L CB -0.291 41.781 42.059 0.021 0.000 0.908 345 L HN 0.634 nan 8.230 nan 0.000 0.437 346 S N -1.201 114.529 115.700 0.050 0.000 2.447 346 S HA -0.158 4.313 4.470 0.001 0.000 0.233 346 S C 2.144 176.809 174.600 0.109 0.000 1.006 346 S CA 0.916 59.164 58.200 0.079 0.000 0.957 346 S CB -0.432 62.803 63.200 0.059 0.000 0.773 346 S HN 0.548 nan 8.310 nan 0.000 0.507 347 S N 2.720 118.461 115.700 0.069 0.000 2.402 347 S HA -0.101 4.369 4.470 0.001 0.000 0.233 347 S C 1.813 176.450 174.600 0.062 0.000 1.030 347 S CA 1.264 59.499 58.200 0.058 0.000 1.003 347 S CB -1.027 62.189 63.200 0.028 0.000 0.813 347 S HN 0.581 nan 8.310 nan 0.000 0.477 348 L N -0.472 120.791 121.223 0.067 0.000 2.083 348 L HA -0.074 4.267 4.340 0.001 0.000 0.209 348 L C 2.625 179.541 176.870 0.077 0.000 1.083 348 L CA 1.964 56.839 54.840 0.057 0.000 0.752 348 L CB -0.788 41.306 42.059 0.058 0.000 0.899 348 L HN 0.388 nan 8.230 nan 0.000 0.433 349 Y N 0.929 121.235 120.300 0.009 0.000 2.089 349 Y HA -0.312 4.238 4.550 0.001 0.000 0.282 349 Y C 2.555 178.459 175.900 0.007 0.000 1.139 349 Y CA 1.480 59.586 58.100 0.010 0.000 1.123 349 Y CB -0.531 37.937 38.460 0.013 0.000 0.980 349 Y HN 0.078 nan 8.280 nan 0.000 0.493 350 A N -0.294 122.519 122.820 -0.012 0.000 1.903 350 A HA -0.291 4.030 4.320 0.001 0.000 0.219 350 A C 2.234 179.728 177.584 -0.150 0.000 1.191 350 A CA 2.653 54.624 52.037 -0.111 0.000 0.638 350 A CB -1.620 17.404 19.000 0.041 0.000 0.823 350 A HN 0.581 nan 8.150 nan 0.000 0.451 351 T N -1.274 113.233 114.554 -0.079 0.000 2.802 351 T HA 0.087 4.438 4.350 0.001 0.000 0.269 351 T C 1.520 176.162 174.700 -0.096 0.000 1.062 351 T CA 2.224 64.285 62.100 -0.065 0.000 1.133 351 T CB -0.479 68.370 68.868 -0.030 0.000 0.852 351 T HN 1.686 nan 8.240 nan 0.000 0.485 352 G N -0.408 108.296 108.800 -0.159 0.000 2.176 352 G HA2 -0.149 3.812 3.960 0.001 0.000 0.232 352 G HA3 -0.149 3.812 3.960 0.001 0.000 0.232 352 G C 0.957 175.801 174.900 -0.093 0.000 0.986 352 G CA 0.338 45.346 45.100 -0.153 0.000 0.643 352 G HN 0.701 nan 8.290 nan 0.000 0.522 353 A N -0.977 121.807 122.820 -0.060 0.000 1.929 353 A HA 0.528 4.849 4.320 0.001 0.000 0.216 353 A C 1.429 179.019 177.584 0.011 0.000 1.176 353 A CA 2.566 54.595 52.037 -0.014 0.000 0.628 353 A CB 0.001 19.004 19.000 0.005 0.000 0.816 353 A HN 1.402 nan 8.150 nan 0.000 0.444 354 T N -1.609 112.965 114.554 0.033 0.000 2.916 354 T HA 0.449 4.799 4.350 0.001 0.000 0.292 354 T C -0.414 174.360 174.700 0.124 0.000 1.064 354 T CA 0.120 62.273 62.100 0.088 0.000 1.011 354 T CB 1.647 70.596 68.868 0.135 0.000 1.152 354 T HN 0.289 nan 8.240 nan 0.000 0.510 355 D N 0.676 121.173 120.400 0.161 0.000 2.441 355 D HA 0.163 4.804 4.640 0.001 0.000 0.210 355 D C 0.277 176.774 176.300 0.329 0.000 1.102 355 D CA 0.009 54.149 54.000 0.233 0.000 0.840 355 D CB -0.035 40.830 40.800 0.109 0.000 0.990 355 D HN 0.301 nan 8.370 nan 0.000 0.505 356 V N 1.424 121.466 119.914 0.213 0.000 2.455 356 V HA 0.464 4.585 4.120 0.001 0.000 0.273 356 V C 1.592 177.665 176.094 -0.034 0.000 1.045 356 V CA -0.030 62.319 62.300 0.081 0.000 0.976 356 V CB 0.703 32.552 31.823 0.045 0.000 0.993 356 V HN 0.272 nan 8.190 nan 0.000 0.475 357 A N 4.910 127.519 122.820 -0.351 0.000 1.930 357 A HA -0.014 4.306 4.320 0.001 0.000 0.217 357 A C 2.208 179.584 177.584 -0.347 0.000 1.175 357 A CA 1.675 53.218 52.037 -0.824 0.000 0.627 357 A CB -0.375 18.175 19.000 -0.750 0.000 0.815 357 A HN 1.088 nan 8.150 nan 0.000 0.443 358 A N -1.061 121.655 122.820 -0.174 0.000 2.209 358 A HA 0.295 4.616 4.320 0.001 0.000 0.212 358 A C 1.697 179.268 177.584 -0.022 0.000 1.158 358 A CA 1.321 53.311 52.037 -0.078 0.000 0.742 358 A CB -0.760 18.209 19.000 -0.051 0.000 0.790 358 A HN 1.086 nan 8.150 nan 0.000 0.472 359 V N -2.496 117.412 119.914 -0.009 0.000 0.629 359 V HA -0.392 3.728 4.120 0.001 0.000 0.092 359 V C 1.060 177.184 176.094 0.050 0.000 1.516 359 V CA 2.007 64.334 62.300 0.046 0.000 3.288 359 V CB -1.966 29.897 31.823 0.066 0.000 0.553 359 V HN 1.842 nan 8.190 nan 0.000 0.561 360 A N -0.911 121.940 122.820 0.052 0.000 2.556 360 A HA 0.806 5.127 4.320 0.001 0.000 0.294 360 A C -0.506 177.115 177.584 0.061 0.000 1.091 360 A CA 0.372 52.446 52.037 0.062 0.000 0.704 360 A CB 2.048 21.100 19.000 0.087 0.000 1.300 360 A HN 0.761 nan 8.150 nan 0.000 0.406 361 S N 0.024 115.758 115.700 0.058 0.000 2.541 361 S HA 0.663 5.134 4.470 0.001 0.000 0.283 361 S C -0.598 174.052 174.600 0.084 0.000 1.196 361 S CA -0.142 58.097 58.200 0.064 0.000 1.062 361 S CB 0.587 63.810 63.200 0.039 0.000 1.009 361 S HN 0.449 nan 8.310 nan 0.000 0.502 362 I N 2.145 122.788 120.570 0.121 0.000 2.418 362 I HA 0.511 4.682 4.170 0.001 0.000 0.287 362 I C 0.443 176.647 176.117 0.146 0.000 1.008 362 I CA -0.158 61.218 61.300 0.127 0.000 1.104 362 I CB 1.781 39.865 38.000 0.141 0.000 1.264 362 I HN 0.699 nan 8.210 nan 0.000 0.438 363 G N 6.654 115.516 108.800 0.103 0.000 2.544 363 G HA2 0.729 4.689 3.960 0.001 0.000 0.313 363 G HA3 0.729 4.689 3.960 0.001 0.000 0.313 363 G C -1.273 173.691 174.900 0.106 0.000 1.316 363 G CA -0.418 44.748 45.100 0.109 0.000 0.944 363 G HN 0.360 nan 8.290 nan 0.000 0.489 364 L N 2.284 123.586 121.223 0.131 0.000 2.316 364 L HA 0.640 4.981 4.340 0.001 0.000 0.280 364 L C 0.520 177.579 176.870 0.314 0.000 1.006 364 L CA -0.405 54.528 54.840 0.156 0.000 0.836 364 L CB 1.880 43.918 42.059 -0.034 0.000 1.221 364 L HN 0.642 nan 8.230 nan 0.000 0.418 365 A N 6.035 129.054 122.820 0.332 0.000 2.292 365 A HA 0.844 5.164 4.320 0.001 0.000 0.319 365 A C -2.542 175.137 177.584 0.158 0.000 1.206 365 A CA -1.484 50.706 52.037 0.256 0.000 0.835 365 A CB 0.389 19.483 19.000 0.157 0.000 1.164 365 A HN 0.344 nan 8.150 nan 0.000 0.505 366 P HA 0.447 nan 4.420 nan 0.000 0.292 366 P C -1.137 175.984 177.300 -0.300 0.000 1.287 366 P CA -0.052 62.514 63.100 -0.890 0.000 0.800 366 P CB 0.684 31.901 31.700 -0.805 0.000 0.945 367 F N 0.963 120.696 119.950 -0.363 0.000 2.493 367 F HA 0.797 5.325 4.527 0.001 0.000 0.329 367 F C -0.458 175.247 175.800 -0.159 0.000 1.126 367 F CA -1.617 56.270 58.000 -0.189 0.000 0.937 367 F CB 1.018 39.946 39.000 -0.119 0.000 1.146 367 F HN 0.358 nan 8.300 nan 0.000 0.442 368 A N 2.574 125.362 122.820 -0.053 0.000 2.386 368 A HA 0.404 4.725 4.320 0.001 0.000 0.248 368 A C -0.269 177.339 177.584 0.040 0.000 1.082 368 A CA -0.285 51.690 52.037 -0.103 0.000 0.789 368 A CB -0.271 18.662 19.000 -0.112 0.000 1.025 368 A HN 1.055 nan 8.150 nan 0.000 0.490 369 H N -0.824 118.265 119.070 0.032 0.000 2.690 369 H HA 0.437 4.994 4.556 0.001 0.000 0.365 369 H C 1.045 176.421 175.328 0.081 0.000 1.142 369 H CA -0.098 56.003 56.048 0.087 0.000 1.417 369 H CB 0.461 30.250 29.762 0.045 0.000 1.446 369 H HN 1.681 nan 8.280 nan 0.000 0.599 370 G N 1.728 110.737 108.800 0.349 0.000 2.179 370 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 370 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 370 G C -0.337 174.607 174.900 0.073 0.000 0.977 370 G CA 0.197 45.420 45.100 0.206 0.000 0.641 370 G HN 0.815 nan 8.290 nan 0.000 0.533 371 D N 0.899 121.347 120.400 0.080 0.000 2.277 371 D HA 0.512 5.153 4.640 0.001 0.000 0.249 371 D C 0.839 177.144 176.300 0.009 0.000 1.134 371 D CA 0.622 54.649 54.000 0.045 0.000 0.863 371 D CB 1.454 42.307 40.800 0.089 0.000 1.143 371 D HN 0.319 nan 8.370 nan 0.000 0.458 372 S N 3.506 119.199 115.700 -0.011 0.000 2.573 372 S HA 0.125 4.595 4.470 0.001 0.000 0.277 372 S C -1.593 172.964 174.600 -0.073 0.000 1.346 372 S CA -0.849 57.330 58.200 -0.036 0.000 1.034 372 S CB 1.207 64.391 63.200 -0.027 0.000 0.879 372 S HN 0.155 nan 8.310 nan 0.000 0.528 373 P HA -0.106 nan 4.420 nan 0.000 0.216 373 P C 1.568 178.810 177.300 -0.098 0.000 1.153 373 P CA 1.144 64.157 63.100 -0.144 0.000 0.848 373 P CB -0.025 31.587 31.700 -0.147 0.000 0.787 374 Q N -0.444 119.318 119.800 -0.063 0.000 2.135 374 Q HA -0.194 4.147 4.340 0.001 0.000 0.204 374 Q C 2.027 178.007 176.000 -0.033 0.000 0.981 374 Q CA 1.854 57.634 55.803 -0.039 0.000 0.856 374 Q CB -0.626 28.096 28.738 -0.028 0.000 0.902 374 Q HN 0.098 nan 8.270 nan 0.000 0.425 375 A N -0.282 122.517 122.820 -0.035 0.000 1.902 375 A HA -0.140 4.180 4.320 0.001 0.000 0.217 375 A C 2.167 179.735 177.584 -0.026 0.000 1.181 375 A CA 1.548 53.572 52.037 -0.022 0.000 0.623 375 A CB -0.658 18.334 19.000 -0.014 0.000 0.818 375 A HN 0.303 nan 8.150 nan 0.000 0.443 376 V N 0.282 120.156 119.914 -0.067 0.000 2.343 376 V HA -0.254 3.867 4.120 0.001 0.000 0.247 376 V C 2.523 178.581 176.094 -0.061 0.000 1.051 376 V CA 1.842 64.079 62.300 -0.106 0.000 1.036 376 V CB -0.884 30.751 31.823 -0.315 0.000 0.654 376 V HN 0.557 nan 8.190 nan 0.000 0.451 377 L N 0.111 121.306 121.223 -0.046 0.000 2.083 377 L HA -0.137 4.204 4.340 0.001 0.000 0.209 377 L C 2.639 179.513 176.870 0.008 0.000 1.083 377 L CA 1.650 56.488 54.840 -0.003 0.000 0.752 377 L CB -0.722 41.342 42.059 0.008 0.000 0.899 377 L HN 0.343 nan 8.230 nan 0.000 0.433 378 S N 0.304 116.005 115.700 0.002 0.000 2.382 378 S HA -0.122 4.349 4.470 0.001 0.000 0.228 378 S C 1.992 176.603 174.600 0.019 0.000 1.027 378 S CA 1.094 59.299 58.200 0.008 0.000 0.991 378 S CB -0.307 62.895 63.200 0.003 0.000 0.823 378 S HN 0.314 nan 8.310 nan 0.000 0.469 379 L N 1.096 122.334 121.223 0.025 0.000 2.083 379 L HA -0.084 4.257 4.340 0.001 0.000 0.209 379 L C 2.808 179.711 176.870 0.055 0.000 1.083 379 L CA 1.347 56.211 54.840 0.041 0.000 0.752 379 L CB -1.379 40.712 42.059 0.054 0.000 0.899 379 L HN 0.443 nan 8.230 nan 0.000 0.433 380 G N -0.159 108.674 108.800 0.055 0.000 2.418 380 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 380 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 380 G C 1.112 176.040 174.900 0.047 0.000 1.158 380 G CA 0.783 45.922 45.100 0.065 0.000 0.771 380 G HN 0.308 nan 8.290 nan 0.000 0.545 381 D N 0.697 121.115 120.400 0.030 0.000 2.144 381 D HA -0.099 4.542 4.640 0.001 0.000 0.199 381 D C 2.778 179.091 176.300 0.023 0.000 0.984 381 D CA 1.006 55.018 54.000 0.019 0.000 0.834 381 D CB -0.314 40.492 40.800 0.010 0.000 0.955 381 D HN 0.491 nan 8.370 nan 0.000 0.465 382 Q N 0.612 120.429 119.800 0.028 0.000 2.084 382 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 382 Q C 2.278 178.300 176.000 0.036 0.000 0.978 382 Q CA 1.438 57.257 55.803 0.027 0.000 0.844 382 Q CB -0.224 28.531 28.738 0.029 0.000 0.898 382 Q HN 0.229 nan 8.270 nan 0.000 0.426 383 A N 1.337 124.190 122.820 0.054 0.000 1.902 383 A HA -0.172 4.149 4.320 0.001 0.000 0.217 383 A C 2.113 179.731 177.584 0.058 0.000 1.181 383 A CA 1.213 53.292 52.037 0.070 0.000 0.623 383 A CB -0.614 18.449 19.000 0.105 0.000 0.818 383 A HN 0.310 nan 8.150 nan 0.000 0.443 384 L N -0.243 121.010 121.223 0.049 0.000 2.046 384 L HA -0.065 4.276 4.340 0.001 0.000 0.208 384 L C 2.716 179.601 176.870 0.024 0.000 1.077 384 L CA 2.150 57.014 54.840 0.039 0.000 0.747 384 L CB -0.865 41.211 42.059 0.027 0.000 0.896 384 L HN 0.357 nan 8.230 nan 0.000 0.432 385 A N -0.936 121.894 122.820 0.017 0.000 1.902 385 A HA -0.291 4.030 4.320 0.001 0.000 0.217 385 A C 2.279 179.864 177.584 0.002 0.000 1.181 385 A CA 1.740 53.781 52.037 0.006 0.000 0.623 385 A CB -0.713 18.290 19.000 0.005 0.000 0.818 385 A HN 0.675 nan 8.150 nan 0.000 0.443 386 Q N -0.226 119.579 119.800 0.007 0.000 2.084 386 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 386 Q C 2.020 178.008 176.000 -0.020 0.000 0.978 386 Q CA 2.000 57.800 55.803 -0.004 0.000 0.844 386 Q CB -0.449 28.294 28.738 0.007 0.000 0.898 386 Q HN 0.521 nan 8.270 nan 0.000 0.426 387 A N 0.635 123.452 122.820 -0.004 0.000 1.902 387 A HA -0.219 4.102 4.320 0.001 0.000 0.217 387 A C 1.873 179.442 177.584 -0.026 0.000 1.181 387 A CA 1.619 53.646 52.037 -0.017 0.000 0.623 387 A CB -0.584 18.436 19.000 0.034 0.000 0.818 387 A HN 0.602 nan 8.150 nan 0.000 0.443 388 E N -0.592 119.602 120.200 -0.011 0.000 2.077 388 E HA -0.081 4.270 4.350 0.001 0.000 0.193 388 E C 1.373 177.957 176.600 -0.026 0.000 0.989 388 E CA 0.688 57.080 56.400 -0.015 0.000 0.800 388 E CB -0.268 29.427 29.700 -0.008 0.000 0.746 388 E HN 0.533 nan 8.360 nan 0.000 0.452 389 G N 0.999 109.782 108.800 -0.028 0.000 3.316 389 G HA2 0.047 4.007 3.960 0.001 0.000 0.255 389 G HA3 0.047 4.007 3.960 0.001 0.000 0.255 389 G C -0.595 174.276 174.900 -0.049 0.000 0.880 389 G CA -0.024 45.056 45.100 -0.033 0.000 1.956 389 G HN 0.049 nan 8.290 nan 0.000 0.634 390 Q N 0.143 119.909 119.800 -0.057 0.000 2.418 390 Q HA 0.288 4.629 4.340 0.001 0.000 0.240 390 Q C 0.345 176.300 176.000 -0.075 0.000 0.859 390 Q CA -0.683 55.071 55.803 -0.080 0.000 0.916 390 Q CB 1.870 30.536 28.738 -0.120 0.000 1.448 390 Q HN 0.305 nan 8.270 nan 0.000 0.439 391 G N 1.447 110.207 108.800 -0.066 0.000 3.284 391 G HA2 0.049 4.010 3.960 0.001 0.000 0.236 391 G HA3 0.049 4.010 3.960 0.001 0.000 0.236 391 G C 0.460 175.322 174.900 -0.064 0.000 1.158 391 G CA 0.082 45.148 45.100 -0.057 0.000 0.774 391 G HN 0.395 nan 8.290 nan 0.000 0.545 392 E N -0.042 120.107 120.200 -0.084 0.000 2.134 392 E HA 0.129 4.480 4.350 0.001 0.000 0.194 392 E C 1.368 177.907 176.600 -0.102 0.000 0.937 392 E CA 0.336 56.684 56.400 -0.087 0.000 0.874 392 E CB -0.008 29.631 29.700 -0.101 0.000 0.853 392 E HN 0.583 nan 8.360 nan 0.000 0.471 393 Q N -0.295 119.408 119.800 -0.161 0.000 2.378 393 Q HA 0.422 4.763 4.340 0.001 0.000 0.276 393 Q C -0.177 175.722 176.000 -0.168 0.000 1.083 393 Q CA -0.744 54.934 55.803 -0.208 0.000 0.856 393 Q CB 1.118 29.570 28.738 -0.476 0.000 1.383 393 Q HN -0.114 nan 8.270 nan 0.000 0.458 394 N N -0.256 118.398 118.700 -0.077 0.000 2.250 394 N HA 0.120 4.861 4.740 0.001 0.000 0.190 394 N C -0.528 175.047 175.510 0.109 0.000 1.116 394 N CA 0.175 53.243 53.050 0.031 0.000 0.881 394 N CB 0.643 39.188 38.487 0.096 0.000 1.006 394 N HN 0.674 nan 8.380 nan 0.000 0.491 395 W N 0.741 122.031 121.300 -0.015 0.000 2.869 395 W HA 0.817 5.477 4.660 0.001 0.000 0.345 395 W C -0.948 175.564 176.519 -0.011 0.000 1.191 395 W CA -1.063 56.273 57.345 -0.015 0.000 1.104 395 W CB 0.672 30.118 29.460 -0.024 0.000 1.471 395 W HN -0.169 nan 8.180 nan 0.000 0.612 396 A N 0.488 123.535 122.820 0.378 0.000 2.544 396 A HA 0.628 4.949 4.320 0.001 0.000 0.291 396 A C -1.505 176.259 177.584 0.300 0.000 1.055 396 A CA -0.171 51.980 52.037 0.190 0.000 0.651 396 A CB 0.655 19.674 19.000 0.031 0.000 1.296 396 A HN 1.570 nan 8.150 nan 0.000 0.431 397 C N 1.135 120.570 119.300 0.226 0.000 2.891 397 C HA 0.745 5.206 4.460 0.001 0.000 0.342 397 C C -0.219 174.872 174.990 0.168 0.000 1.126 397 C CA -0.748 58.398 59.018 0.213 0.000 1.322 397 C CB -0.400 27.468 27.740 0.214 0.000 1.763 397 C HN 1.063 nan 8.230 nan 0.000 0.491 398 L N 2.885 124.208 121.223 0.165 0.000 2.506 398 L HA 0.524 4.865 4.340 0.001 0.000 0.199 398 L C 0.478 177.413 176.870 0.107 0.000 1.178 398 L CA 0.251 55.158 54.840 0.112 0.000 0.868 398 L CB 0.359 42.472 42.059 0.091 0.000 1.451 398 L HN 0.967 nan 8.230 nan 0.000 0.526 408 D N -0.485 120.125 120.400 0.351 0.000 2.629 408 D HA 0.508 5.148 4.640 0.001 0.000 0.250 408 D C -1.224 175.261 176.300 0.308 0.000 1.126 408 D CA -0.655 53.517 54.000 0.288 0.000 0.852 408 D CB 2.639 43.552 40.800 0.188 0.000 1.335 408 D HN 0.250 nan 8.370 nan 0.000 0.518 409 D N 0.697 121.243 120.400 0.244 0.000 2.193 409 D HA 0.011 4.652 4.640 0.001 0.000 0.244 409 D C 0.875 177.303 176.300 0.214 0.000 1.064 409 D CA -0.377 53.755 54.000 0.220 0.000 0.845 409 D CB 0.938 41.834 40.800 0.159 0.000 1.148 409 D HN 0.673 nan 8.370 nan 0.000 0.464 410 H N 4.762 123.875 119.070 0.071 0.000 2.390 410 H HA -0.186 4.370 4.556 0.001 0.000 0.298 410 H C 0.590 175.858 175.328 -0.100 0.000 1.106 410 H CA 1.768 57.783 56.048 -0.055 0.000 1.297 410 H CB 0.451 30.120 29.762 -0.156 0.000 1.375 410 H HN 0.569 nan 8.280 nan 0.000 0.509 411 H N -0.787 118.377 119.070 0.157 0.000 2.520 411 H HA 0.192 4.749 4.556 0.001 0.000 0.279 411 H C 2.406 177.769 175.328 0.059 0.000 0.990 411 H CA 0.651 56.748 56.048 0.080 0.000 1.288 411 H CB -0.032 29.816 29.762 0.143 0.000 1.446 411 H HN 0.445 nan 8.280 nan 0.000 0.538 412 A N 1.116 124.011 122.820 0.126 0.000 1.902 412 A HA -0.164 4.156 4.320 0.001 0.000 0.217 412 A C 2.105 179.631 177.584 -0.097 0.000 1.181 412 A CA 1.100 53.129 52.037 -0.014 0.000 0.623 412 A CB -1.028 17.920 19.000 -0.086 0.000 0.818 412 A HN 0.377 nan 8.150 nan 0.000 0.443 413 W N -0.917 120.246 121.300 -0.228 0.000 2.355 413 W HA -0.150 4.511 4.660 0.001 0.000 0.309 413 W C 2.449 178.939 176.519 -0.047 0.000 1.206 413 W CA 1.580 58.722 57.345 -0.337 0.000 1.284 413 W CB -0.470 28.334 29.460 -1.095 0.000 1.145 413 W HN 0.577 nan 8.180 nan 0.000 0.502 414 H N 0.693 119.837 119.070 0.124 0.000 2.251 414 H HA -0.201 4.355 4.556 0.001 0.000 0.294 414 H C 2.276 177.675 175.328 0.119 0.000 1.078 414 H CA 2.396 58.387 56.048 -0.095 0.000 1.246 414 H CB -0.131 29.358 29.762 -0.454 0.000 1.358 414 H HN 0.098 nan 8.280 nan 0.000 0.488 415 R N -0.063 120.481 120.500 0.073 0.000 2.073 415 R HA -0.138 4.202 4.340 0.001 0.000 0.234 415 R C 2.666 178.926 176.300 -0.067 0.000 1.134 415 R CA 1.271 57.363 56.100 -0.014 0.000 0.952 415 R CB -0.411 29.909 30.300 0.032 0.000 0.850 415 R HN 0.275 nan 8.270 nan 0.000 0.433 416 L N 0.907 122.096 121.223 -0.058 0.000 2.127 416 L HA -0.145 4.196 4.340 0.001 0.000 0.211 416 L C 1.772 178.601 176.870 -0.067 0.000 1.089 416 L CA 1.688 56.462 54.840 -0.110 0.000 0.757 416 L CB -0.154 41.778 42.059 -0.211 0.000 0.899 416 L HN 0.123 nan 8.230 nan 0.000 0.434 417 L N -1.117 120.151 121.223 0.076 0.000 2.168 417 L HA -0.031 4.310 4.340 0.001 0.000 0.203 417 L C 2.205 179.059 176.870 -0.027 0.000 1.078 417 L CA 0.986 55.940 54.840 0.190 0.000 0.780 417 L CB -0.486 41.916 42.059 0.573 0.000 0.939 417 L HN 0.227 nan 8.230 nan 0.000 0.451 418 D N -0.254 119.969 120.400 -0.296 0.000 2.123 418 D HA -0.259 4.381 4.640 0.001 0.000 0.196 418 D C 2.080 178.138 176.300 -0.404 0.000 0.992 418 D CA 1.386 54.907 54.000 -0.798 0.000 0.833 418 D CB 0.204 40.492 40.800 -0.855 0.000 0.954 418 D HN 0.207 nan 8.370 nan 0.000 0.455 419 Q N -0.063 119.583 119.800 -0.256 0.000 1.948 419 Q HA -0.126 4.215 4.340 0.001 0.000 0.205 419 Q C 2.137 178.029 176.000 -0.179 0.000 0.992 419 Q CA 2.382 58.071 55.803 -0.190 0.000 0.849 419 Q CB -0.556 28.088 28.738 -0.156 0.000 0.918 419 Q HN 0.261 nan 8.270 nan 0.000 0.421 420 A N 0.092 122.790 122.820 -0.204 0.000 1.986 420 A HA -0.205 4.116 4.320 0.001 0.000 0.220 420 A C 2.079 179.566 177.584 -0.162 0.000 1.171 420 A CA 1.593 53.454 52.037 -0.293 0.000 0.640 420 A CB -0.859 17.802 19.000 -0.565 0.000 0.811 420 A HN 0.478 nan 8.150 nan 0.000 0.451 421 L N -0.332 120.885 121.223 -0.010 0.000 2.017 421 L HA -0.204 4.137 4.340 0.001 0.000 0.208 421 L C 2.369 179.230 176.870 -0.014 0.000 1.073 421 L CA 1.346 56.250 54.840 0.106 0.000 0.745 421 L CB -0.614 41.449 42.059 0.005 0.000 0.894 421 L HN 0.365 nan 8.230 nan 0.000 0.432 422 N N 0.084 118.724 118.700 -0.100 0.000 2.120 422 N HA -0.192 4.549 4.740 0.001 0.000 0.188 422 N C 1.519 176.990 175.510 -0.064 0.000 1.024 422 N CA 1.193 54.185 53.050 -0.096 0.000 0.852 422 N CB -0.258 38.152 38.487 -0.128 0.000 1.003 422 N HN 0.527 nan 8.380 nan 0.000 0.424 423 Q N 0.677 120.432 119.800 -0.075 0.000 2.373 423 Q HA 0.143 4.484 4.340 0.001 0.000 0.206 423 Q C -0.096 175.878 176.000 -0.043 0.000 0.942 423 Q CA -0.231 55.532 55.803 -0.066 0.000 0.953 423 Q CB 0.315 28.998 28.738 -0.092 0.000 1.022 423 Q HN 0.138 nan 8.270 nan 0.000 0.502 424 R N 1.819 122.314 120.500 -0.007 0.000 3.416 424 R HA -0.185 4.156 4.340 0.001 0.000 0.263 424 R C -0.991 175.327 176.300 0.029 0.000 1.053 424 R CA 0.553 56.681 56.100 0.046 0.000 0.705 424 R CB -1.182 29.140 30.300 0.036 0.000 1.124 424 R HN 0.373 nan 8.270 nan 0.000 0.444 425 R N 0.493 120.946 120.500 -0.078 0.000 3.863 425 R HA 0.203 4.544 4.340 0.001 0.000 0.304 425 R C -0.591 175.471 176.300 -0.396 0.000 1.485 425 R CA 0.124 56.105 56.100 -0.199 0.000 1.355 425 R CB 0.089 30.236 30.300 -0.255 0.000 1.457 425 R HN -0.033 nan 8.270 nan 0.000 0.669 426 F N 0.265 120.195 119.950 -0.033 0.000 2.495 426 F HA 0.303 4.831 4.527 0.001 0.000 0.327 426 F C 0.874 176.702 175.800 0.048 0.000 1.103 426 F CA -0.894 57.089 58.000 -0.029 0.000 0.949 426 F CB 1.651 40.619 39.000 -0.053 0.000 1.142 426 F HN -0.111 nan 8.300 nan 0.000 0.457 427 E N 2.604 122.963 120.200 0.265 0.000 2.283 427 E HA 0.385 4.736 4.350 0.001 0.000 0.267 427 E C -0.684 176.145 176.600 0.383 0.000 1.045 427 E CA -0.571 56.019 56.400 0.317 0.000 0.884 427 E CB 1.799 31.747 29.700 0.414 0.000 1.106 427 E HN 0.501 nan 8.360 nan 0.000 0.408 428 L N 3.207 124.651 121.223 0.368 0.000 2.259 428 L HA 0.331 4.672 4.340 0.001 0.000 0.288 428 L C -0.082 177.045 176.870 0.428 0.000 1.051 428 L CA -0.232 54.782 54.840 0.290 0.000 0.824 428 L CB -0.099 42.084 42.059 0.207 0.000 1.206 428 L HN 0.290 nan 8.230 nan 0.000 0.429 429 F N 2.555 122.539 119.950 0.058 0.000 2.377 429 F HA 0.478 5.005 4.527 0.001 0.000 0.328 429 F C 0.055 175.861 175.800 0.010 0.000 1.094 429 F CA -0.440 57.657 58.000 0.161 0.000 1.093 429 F CB 1.449 40.530 39.000 0.135 0.000 1.214 429 F HN 0.193 nan 8.300 nan 0.000 0.518 430 F N 1.094 121.147 119.950 0.172 0.000 2.540 430 F HA 0.397 4.925 4.527 0.001 0.000 0.317 430 F C -0.407 175.525 175.800 0.219 0.000 1.104 430 F CA -0.857 57.249 58.000 0.176 0.000 0.913 430 F CB 2.051 41.084 39.000 0.054 0.000 1.170 430 F HN 0.304 nan 8.300 nan 0.000 0.450 431 Q N 4.767 124.811 119.800 0.407 0.000 2.340 431 Q HA 0.513 4.854 4.340 0.001 0.000 0.268 431 Q C -2.852 173.351 176.000 0.338 0.000 1.031 431 Q CA -2.340 53.661 55.803 0.330 0.000 0.804 431 Q CB 2.678 31.552 28.738 0.226 0.000 1.286 431 Q HN 0.180 nan 8.270 nan 0.000 0.448 432 P HA 0.112 nan 4.420 nan 0.000 0.275 432 P C -1.269 175.947 177.300 -0.141 0.000 1.228 432 P CA -0.254 62.895 63.100 0.081 0.000 0.786 432 P CB 0.951 32.731 31.700 0.133 0.000 0.927 433 V N 3.524 123.202 119.914 -0.393 0.000 2.525 433 V HA 0.467 4.587 4.120 0.001 0.000 0.299 433 V C 0.316 176.064 176.094 -0.576 0.000 1.034 433 V CA -0.660 61.312 62.300 -0.548 0.000 0.863 433 V CB 1.889 33.210 31.823 -0.836 0.000 0.999 433 V HN 0.495 nan 8.190 nan 0.000 0.423 434 V N 2.220 121.806 119.914 -0.546 0.000 3.113 434 V HA 1.029 5.149 4.120 0.001 0.000 0.316 434 V C 0.266 176.066 176.094 -0.490 0.000 1.125 434 V CA -0.802 61.223 62.300 -0.457 0.000 1.026 434 V CB 2.030 33.624 31.823 -0.382 0.000 1.080 434 V HN 1.136 nan 8.190 nan 0.000 0.444 435 A N 1.156 123.736 122.820 -0.401 0.000 2.440 435 A HA 0.730 5.051 4.320 0.001 0.000 0.251 435 A C 1.394 178.800 177.584 -0.297 0.000 1.089 435 A CA 0.191 51.982 52.037 -0.410 0.000 0.779 435 A CB 0.647 19.476 19.000 -0.285 0.000 1.022 435 A HN 2.079 nan 8.150 nan 0.000 0.492 436 A N 1.311 123.967 122.820 -0.273 0.000 1.930 436 A HA -0.155 4.166 4.320 0.001 0.000 0.217 436 A C 2.079 179.617 177.584 -0.077 0.000 1.175 436 A CA 1.644 53.585 52.037 -0.161 0.000 0.627 436 A CB -0.448 18.483 19.000 -0.116 0.000 0.815 436 A HN 0.975 nan 8.150 nan 0.000 0.443 437 Q N -0.057 119.701 119.800 -0.069 0.000 2.046 437 Q HA -0.175 4.166 4.340 0.001 0.000 0.200 437 Q C -0.365 175.619 176.000 -0.027 0.000 0.975 437 Q CA 1.845 57.630 55.803 -0.029 0.000 0.836 437 Q CB -0.332 28.400 28.738 -0.011 0.000 0.896 437 Q HN 0.414 nan 8.270 nan 0.000 0.428 438 D N 0.869 121.238 120.400 -0.052 0.000 2.458 438 D HA 0.163 4.803 4.640 0.001 0.000 0.258 438 D C 0.145 176.411 176.300 -0.056 0.000 1.134 438 D CA -0.115 53.861 54.000 -0.040 0.000 0.915 438 D CB 0.982 41.758 40.800 -0.039 0.000 1.028 438 D HN 0.197 nan 8.370 nan 0.000 0.508 439 T N 1.050 115.595 114.554 -0.015 0.000 2.822 439 T HA -0.204 4.146 4.350 0.001 0.000 0.270 439 T C 1.568 176.274 174.700 0.009 0.000 1.064 439 T CA 0.985 63.095 62.100 0.017 0.000 1.131 439 T CB 0.057 69.010 68.868 0.142 0.000 0.858 439 T HN 0.309 nan 8.240 nan 0.000 0.483 440 Q N 0.104 119.907 119.800 0.006 0.000 2.297 440 Q HA 0.220 4.560 4.340 0.001 0.000 0.204 440 Q C 0.888 176.870 176.000 -0.031 0.000 0.962 440 Q CA 0.248 56.055 55.803 0.006 0.000 0.879 440 Q CB -0.274 28.471 28.738 0.011 0.000 0.947 440 Q HN 0.474 nan 8.270 nan 0.000 0.462 441 L N 1.752 122.935 121.223 -0.068 0.000 2.278 441 L HA 0.207 4.547 4.340 0.001 0.000 0.287 441 L C -0.816 175.956 176.870 -0.163 0.000 1.072 441 L CA -0.245 54.539 54.840 -0.094 0.000 0.819 441 L CB 0.871 42.877 42.059 -0.089 0.000 1.176 441 L HN -0.200 nan 8.230 nan 0.000 0.435 442 V N 6.869 126.683 119.914 -0.168 0.000 2.364 442 V HA 0.109 4.230 4.120 0.001 0.000 0.272 442 V C 1.132 177.062 176.094 -0.273 0.000 1.036 442 V CA -0.290 61.842 62.300 -0.280 0.000 0.880 442 V CB 1.502 33.113 31.823 -0.353 0.000 0.991 442 V HN 0.785 nan 8.190 nan 0.000 0.460 443 L N 4.691 125.709 121.223 -0.342 0.000 2.023 443 L HA 0.146 4.486 4.340 0.001 0.000 0.205 443 L C 0.807 177.597 176.870 -0.133 0.000 1.073 443 L CA 1.096 55.787 54.840 -0.247 0.000 0.745 443 L CB -0.419 41.421 42.059 -0.366 0.000 0.900 443 L HN 0.959 nan 8.230 nan 0.000 0.435 444 H N -4.476 114.444 119.070 -0.251 0.000 2.987 444 H HA 0.446 5.002 4.556 0.001 0.000 0.316 444 H C -1.740 173.443 175.328 -0.240 0.000 1.380 444 H CA -1.496 54.459 56.048 -0.156 0.000 1.160 444 H CB 0.242 30.008 29.762 0.007 0.000 1.865 444 H HN -0.098 nan 8.280 nan 0.000 0.521 445 Y N 0.585 121.087 120.300 0.337 0.000 2.331 445 Y HA 0.346 4.897 4.550 0.001 0.000 0.338 445 Y C 0.372 176.489 175.900 0.362 0.000 0.976 445 Y CA -1.023 57.269 58.100 0.321 0.000 1.137 445 Y CB 1.530 40.233 38.460 0.405 0.000 1.172 445 Y HN 0.616 nan 8.280 nan 0.000 0.478 446 K N 2.151 122.807 120.400 0.427 0.000 2.401 446 K HA 0.307 4.627 4.320 0.001 0.000 0.278 446 K C -1.127 175.560 176.600 0.145 0.000 1.018 446 K CA -0.113 56.341 56.287 0.279 0.000 0.981 446 K CB 0.480 33.119 32.500 0.231 0.000 0.933 446 K HN 0.510 nan 8.250 nan 0.000 0.477 447 V N 6.626 126.542 119.914 0.003 0.000 2.348 447 V HA 0.212 4.332 4.120 0.001 0.000 0.270 447 V C -0.066 175.998 176.094 -0.051 0.000 1.037 447 V CA -0.841 61.346 62.300 -0.189 0.000 0.872 447 V CB 0.421 32.077 31.823 -0.279 0.000 1.002 447 V HN 0.588 nan 8.190 nan 0.000 0.464 448 L N 3.384 124.613 121.223 0.009 0.000 2.400 448 L HA 0.569 4.910 4.340 0.001 0.000 0.264 448 L C 0.510 177.429 176.870 0.081 0.000 1.061 448 L CA 0.256 55.132 54.840 0.059 0.000 0.799 448 L CB 1.605 43.724 42.059 0.099 0.000 1.240 448 L HN 0.637 nan 8.230 nan 0.000 0.461 449 S N 0.919 116.674 115.700 0.093 0.000 2.501 449 S HA 0.690 5.161 4.470 0.001 0.000 0.301 449 S C -0.634 174.091 174.600 0.209 0.000 1.096 449 S CA -0.670 57.632 58.200 0.170 0.000 1.063 449 S CB 0.787 64.120 63.200 0.220 0.000 1.042 449 S HN 0.427 nan 8.310 nan 0.000 0.494 450 R N 3.089 123.703 120.500 0.189 0.000 2.483 450 R HA 0.354 4.695 4.340 0.001 0.000 0.303 450 R C -1.155 175.275 176.300 0.216 0.000 0.987 450 R CA -0.747 55.402 56.100 0.081 0.000 0.881 450 R CB 1.025 31.040 30.300 -0.476 0.000 1.177 450 R HN 0.640 nan 8.270 nan 0.000 0.451 451 L N 3.549 124.883 121.223 0.186 0.000 2.416 451 L HA 0.333 4.673 4.340 0.001 0.000 0.272 451 L C -0.583 176.174 176.870 -0.189 0.000 1.161 451 L CA 0.160 54.881 54.840 -0.199 0.000 0.845 451 L CB 0.473 42.318 42.059 -0.356 0.000 1.119 451 L HN 0.529 nan 8.230 nan 0.000 0.464 452 L N 4.198 125.224 121.223 -0.328 0.000 2.399 452 L HA 0.428 4.768 4.340 0.001 0.000 0.266 452 L C -0.128 176.616 176.870 -0.209 0.000 1.114 452 L CA -0.509 54.211 54.840 -0.200 0.000 0.804 452 L CB 1.293 43.240 42.059 -0.187 0.000 1.146 452 L HN 0.851 nan 8.230 nan 0.000 0.451 453 D N -0.566 119.750 120.400 -0.139 0.000 2.712 453 D HA 0.085 4.726 4.640 0.001 0.000 0.252 453 D C 0.603 176.834 176.300 -0.116 0.000 1.123 453 D CA -0.582 53.331 54.000 -0.144 0.000 1.109 453 D CB 0.451 41.174 40.800 -0.128 0.000 1.313 453 D HN 0.454 nan 8.370 nan 0.000 0.629 454 E N -0.558 119.576 120.200 -0.110 0.000 2.108 454 E HA -0.289 4.062 4.350 0.001 0.000 0.203 454 E C 0.763 177.324 176.600 -0.066 0.000 1.022 454 E CA 1.732 58.080 56.400 -0.087 0.000 0.823 454 E CB 0.001 29.654 29.700 -0.078 0.000 0.744 454 E HN 0.447 nan 8.360 nan 0.000 0.456 455 Q N -1.285 118.482 119.800 -0.054 0.000 2.242 455 Q HA 0.226 4.566 4.340 0.001 0.000 0.246 455 Q C 0.593 176.578 176.000 -0.026 0.000 0.883 455 Q CA 0.380 56.161 55.803 -0.036 0.000 0.984 455 Q CB 0.696 29.419 28.738 -0.026 0.000 1.096 455 Q HN 0.457 nan 8.270 nan 0.000 0.452 456 G N 0.611 109.389 108.800 -0.036 0.000 2.225 456 G HA2 -0.391 3.570 3.960 0.001 0.000 0.272 456 G HA3 -0.391 3.570 3.960 0.001 0.000 0.272 456 G C 0.226 175.127 174.900 0.001 0.000 0.996 456 G CA 0.471 45.559 45.100 -0.020 0.000 0.710 456 G HN 0.416 nan 8.290 nan 0.000 0.522 457 Q N 0.602 120.397 119.800 -0.008 0.000 2.421 457 Q HA 0.507 4.848 4.340 0.001 0.000 0.255 457 Q C 1.161 177.163 176.000 0.004 0.000 1.013 457 Q CA 0.914 56.722 55.803 0.009 0.000 0.895 457 Q CB 0.525 29.263 28.738 0.000 0.000 1.271 457 Q HN 0.554 nan 8.270 nan 0.000 0.460 458 T N -0.428 114.139 114.554 0.022 0.000 2.945 458 T HA 0.750 5.101 4.350 0.001 0.000 0.286 458 T C -0.280 174.430 174.700 0.017 0.000 1.025 458 T CA -0.780 61.317 62.100 -0.004 0.000 1.039 458 T CB 0.793 69.628 68.868 -0.054 0.000 1.068 458 T HN 0.455 nan 8.240 nan 0.000 0.497 459 I N 2.181 122.788 120.570 0.062 0.000 2.619 459 I HA 0.460 4.630 4.170 0.001 0.000 0.292 459 I C -2.653 173.645 176.117 0.302 0.000 1.100 459 I CA -2.638 58.770 61.300 0.181 0.000 1.043 459 I CB 3.160 41.323 38.000 0.272 0.000 1.239 459 I HN 0.500 nan 8.210 nan 0.000 0.420 460 P HA 0.302 nan 4.420 nan 0.000 0.287 460 P C 0.239 177.441 177.300 -0.163 0.000 1.270 460 P CA -0.563 62.574 63.100 0.062 0.000 0.844 460 P CB 1.498 33.168 31.700 -0.050 0.000 1.068 461 A N 2.813 125.438 122.820 -0.326 0.000 2.023 461 A HA -0.233 4.088 4.320 0.001 0.000 0.223 461 A C 2.225 179.324 177.584 -0.808 0.000 1.180 461 A CA 2.656 54.147 52.037 -0.911 0.000 0.659 461 A CB -2.009 16.751 19.000 -0.400 0.000 0.817 461 A HN 0.662 nan 8.150 nan 0.000 0.466 462 G N -0.815 107.735 108.800 -0.416 0.000 2.480 462 G HA2 -0.255 3.706 3.960 0.001 0.000 0.216 462 G HA3 -0.255 3.706 3.960 0.001 0.000 0.216 462 G C 1.732 176.451 174.900 -0.301 0.000 1.200 462 G CA 1.052 45.970 45.100 -0.304 0.000 0.782 462 G HN 0.583 nan 8.290 nan 0.000 0.554 463 R N -0.145 120.225 120.500 -0.218 0.000 2.083 463 R HA -0.062 4.278 4.340 0.001 0.000 0.237 463 R C 2.438 178.726 176.300 -0.020 0.000 1.137 463 R CA 1.931 57.998 56.100 -0.056 0.000 0.951 463 R CB -0.494 29.890 30.300 0.140 0.000 0.851 463 R HN 0.618 nan 8.270 nan 0.000 0.434 464 F N -1.100 118.912 119.950 0.102 0.000 2.446 464 F HA 0.204 4.732 4.527 0.001 0.000 0.292 464 F C 1.719 177.574 175.800 0.092 0.000 1.096 464 F CA 0.085 58.186 58.000 0.168 0.000 1.438 464 F CB -0.815 38.458 39.000 0.456 0.000 1.107 464 F HN -0.158 nan 8.300 nan 0.000 0.546 465 L N 1.040 122.055 121.223 -0.347 0.000 1.997 465 L HA -0.170 4.170 4.340 0.001 0.000 0.216 465 L C -0.434 176.384 176.870 -0.087 0.000 1.074 465 L CA 2.071 56.821 54.840 -0.150 0.000 0.763 465 L CB -1.555 40.299 42.059 -0.341 0.000 0.890 465 L HN 0.115 nan 8.230 nan 0.000 0.434 466 P HA -0.175 nan 4.420 nan 0.000 0.222 466 P C 0.748 177.798 177.300 -0.417 0.000 1.147 466 P CA 1.380 64.281 63.100 -0.331 0.000 0.790 466 P CB -0.103 31.321 31.700 -0.461 0.000 0.780 467 W N -1.169 119.917 121.300 -0.357 0.000 2.584 467 W HA 0.080 4.741 4.660 0.001 0.000 0.264 467 W C 1.880 178.185 176.519 -0.357 0.000 1.264 467 W CA 0.069 57.103 57.345 -0.519 0.000 1.306 467 W CB -0.364 28.785 29.460 -0.519 0.000 1.110 467 W HN -0.127 nan 8.180 nan 0.000 0.606 468 L N -0.076 121.251 121.223 0.174 0.000 2.156 468 L HA -0.125 4.216 4.340 0.001 0.000 0.208 468 L C 2.305 179.211 176.870 0.059 0.000 1.095 468 L CA 0.931 55.920 54.840 0.249 0.000 0.770 468 L CB -0.483 41.772 42.059 0.326 0.000 0.914 468 L HN -0.053 nan 8.230 nan 0.000 0.439 469 E N 0.151 120.320 120.200 -0.052 0.000 2.076 469 E HA -0.155 4.195 4.350 0.001 0.000 0.190 469 E C 2.090 178.600 176.600 -0.149 0.000 0.979 469 E CA 0.620 56.970 56.400 -0.084 0.000 0.807 469 E CB -0.079 29.558 29.700 -0.105 0.000 0.761 469 E HN 0.296 nan 8.360 nan 0.000 0.454 470 R N -0.445 119.882 120.500 -0.287 0.000 2.341 470 R HA -0.084 4.257 4.340 0.001 0.000 0.213 470 R C 0.798 176.967 176.300 -0.218 0.000 1.082 470 R CA 0.676 56.584 56.100 -0.321 0.000 1.017 470 R CB 0.066 30.060 30.300 -0.509 0.000 0.860 470 R HN 0.034 nan 8.270 nan 0.000 0.473 471 F N -2.069 117.736 119.950 -0.242 0.000 2.789 471 F HA 0.360 4.888 4.527 0.001 0.000 0.320 471 F C 1.452 176.887 175.800 -0.608 0.000 1.079 471 F CA 0.158 57.816 58.000 -0.569 0.000 1.205 471 F CB 0.753 39.039 39.000 -1.190 0.000 1.046 471 F HN 0.109 nan 8.300 nan 0.000 0.586 472 G N -0.419 108.310 108.800 -0.119 0.000 2.136 472 G HA2 -0.273 3.688 3.960 0.001 0.000 0.242 472 G HA3 -0.273 3.688 3.960 0.001 0.000 0.242 472 G C 0.488 175.512 174.900 0.206 0.000 0.989 472 G CA 0.220 45.332 45.100 0.020 0.000 0.682 472 G HN 0.285 nan 8.290 nan 0.000 0.522 473 W N 0.332 121.736 121.300 0.174 0.000 3.239 473 W HA 0.373 5.034 4.660 0.001 0.000 0.368 473 W C 1.685 178.257 176.519 0.089 0.000 1.154 473 W CA 0.256 57.679 57.345 0.131 0.000 1.860 473 W CB -0.955 28.603 29.460 0.163 0.000 1.094 473 W HN 0.199 nan 8.180 nan 0.000 0.643 474 T N 1.015 115.720 114.554 0.252 0.000 2.746 474 T HA -0.152 4.199 4.350 0.001 0.000 0.267 474 T C 2.132 176.891 174.700 0.098 0.000 1.039 474 T CA 2.196 64.386 62.100 0.150 0.000 1.142 474 T CB -0.053 68.868 68.868 0.088 0.000 0.866 474 T HN 0.131 nan 8.240 nan 0.000 0.444 475 A N 1.595 124.473 122.820 0.097 0.000 1.933 475 A HA -0.119 4.202 4.320 0.001 0.000 0.218 475 A C 2.304 179.914 177.584 0.043 0.000 1.175 475 A CA 1.428 53.497 52.037 0.054 0.000 0.628 475 A CB -0.495 18.539 19.000 0.056 0.000 0.814 475 A HN 0.442 nan 8.150 nan 0.000 0.444 476 R N -1.287 119.260 120.500 0.079 0.000 2.119 476 R HA -0.188 4.153 4.340 0.001 0.000 0.246 476 R C 2.040 178.340 176.300 -0.000 0.000 1.146 476 R CA 1.616 57.740 56.100 0.040 0.000 0.962 476 R CB -0.534 29.792 30.300 0.044 0.000 0.863 476 R HN 0.491 nan 8.270 nan 0.000 0.442 477 L N 1.120 122.337 121.223 -0.009 0.000 2.044 477 L HA -0.105 4.235 4.340 0.001 0.000 0.205 477 L C 1.314 178.132 176.870 -0.087 0.000 1.075 477 L CA 1.863 56.642 54.840 -0.102 0.000 0.747 477 L CB -0.435 41.523 42.059 -0.167 0.000 0.903 477 L HN 0.053 nan 8.230 nan 0.000 0.435 478 D N -0.304 120.063 120.400 -0.054 0.000 2.116 478 D HA -0.280 4.361 4.640 0.001 0.000 0.193 478 D C 2.186 178.448 176.300 -0.064 0.000 0.998 478 D CA 1.691 55.654 54.000 -0.061 0.000 0.836 478 D CB -0.305 40.460 40.800 -0.059 0.000 0.951 478 D HN 0.407 nan 8.370 nan 0.000 0.449 479 R N 0.526 120.996 120.500 -0.050 0.000 2.091 479 R HA -0.158 4.183 4.340 0.001 0.000 0.238 479 R C 2.253 178.531 176.300 -0.036 0.000 1.136 479 R CA 1.116 57.189 56.100 -0.045 0.000 0.959 479 R CB -0.468 29.816 30.300 -0.026 0.000 0.856 479 R HN 0.198 nan 8.270 nan 0.000 0.437 480 L N 0.543 121.747 121.223 -0.031 0.000 2.005 480 L HA -0.031 4.310 4.340 0.001 0.000 0.207 480 L C 2.003 178.865 176.870 -0.013 0.000 1.072 480 L CA 1.825 56.658 54.840 -0.012 0.000 0.744 480 L CB -0.479 41.581 42.059 0.001 0.000 0.895 480 L HN 0.268 nan 8.230 nan 0.000 0.433 481 M N -0.765 118.812 119.600 -0.039 0.000 2.700 481 M HA -0.067 4.413 4.480 0.001 0.000 0.249 481 M C 1.796 178.077 176.300 -0.032 0.000 1.082 481 M CA 0.998 56.280 55.300 -0.031 0.000 1.077 481 M CB -0.662 31.903 32.600 -0.059 0.000 1.477 481 M HN 0.460 nan 8.290 nan 0.000 0.529 482 L N -0.731 120.464 121.223 -0.047 0.000 2.500 482 L HA 0.138 4.479 4.340 0.001 0.000 0.219 482 L C 1.795 178.618 176.870 -0.078 0.000 1.057 482 L CA 1.194 55.993 54.840 -0.069 0.000 0.854 482 L CB -0.093 41.907 42.059 -0.098 0.000 1.078 482 L HN 0.086 nan 8.230 nan 0.000 0.480 483 E N -0.448 119.722 120.200 -0.050 0.000 2.107 483 E HA -0.155 4.196 4.350 0.001 0.000 0.191 483 E C 1.982 178.577 176.600 -0.009 0.000 0.982 483 E CA 0.702 57.080 56.400 -0.036 0.000 0.809 483 E CB 0.116 29.816 29.700 0.000 0.000 0.756 483 E HN 0.240 nan 8.360 nan 0.000 0.459 484 R N 0.226 120.735 120.500 0.014 0.000 2.062 484 R HA -0.043 4.298 4.340 0.001 0.000 0.229 484 R C 2.308 178.643 176.300 0.058 0.000 1.128 484 R CA 0.580 56.709 56.100 0.048 0.000 0.960 484 R CB -0.988 29.354 30.300 0.070 0.000 0.855 484 R HN 0.052 nan 8.270 nan 0.000 0.432 485 V N 1.097 121.033 119.914 0.037 0.000 2.332 485 V HA -0.221 3.899 4.120 0.001 0.000 0.248 485 V C 2.318 178.439 176.094 0.044 0.000 1.055 485 V CA 1.652 63.986 62.300 0.057 0.000 1.038 485 V CB -0.490 31.347 31.823 0.024 0.000 0.651 485 V HN 0.215 nan 8.190 nan 0.000 0.450 486 L N -0.545 120.659 121.223 -0.032 0.000 2.083 486 L HA -0.196 4.145 4.340 0.001 0.000 0.209 486 L C 2.586 179.444 176.870 -0.020 0.000 1.083 486 L CA 1.618 56.395 54.840 -0.106 0.000 0.752 486 L CB -0.446 41.377 42.059 -0.395 0.000 0.899 486 L HN 0.431 nan 8.230 nan 0.000 0.433 487 E N -0.276 119.938 120.200 0.023 0.000 2.015 487 E HA -0.291 4.059 4.350 0.001 0.000 0.191 487 E C 2.043 178.689 176.600 0.076 0.000 0.991 487 E CA 1.330 57.773 56.400 0.072 0.000 0.802 487 E CB -0.110 29.635 29.700 0.075 0.000 0.759 487 E HN 0.460 nan 8.360 nan 0.000 0.447 488 Q N 1.051 120.911 119.800 0.100 0.000 2.181 488 Q HA -0.177 4.164 4.340 0.001 0.000 0.205 488 Q C 1.884 177.964 176.000 0.133 0.000 0.980 488 Q CA 1.777 57.666 55.803 0.144 0.000 0.862 488 Q CB -0.341 28.526 28.738 0.214 0.000 0.905 488 Q HN 0.262 nan 8.270 nan 0.000 0.429 489 M N -0.018 119.624 119.600 0.070 0.000 2.279 489 M HA -0.048 4.433 4.480 0.001 0.000 0.264 489 M C 1.700 177.865 176.300 -0.225 0.000 1.062 489 M CA 1.304 56.529 55.300 -0.125 0.000 1.099 489 M CB -0.259 32.306 32.600 -0.058 0.000 1.394 489 M HN 0.433 nan 8.290 nan 0.000 0.426 490 A N 0.017 122.803 122.820 -0.058 0.000 2.276 490 A HA 0.262 4.582 4.320 0.001 0.000 0.212 490 A C 1.884 179.459 177.584 -0.016 0.000 1.230 490 A CA 0.819 52.836 52.037 -0.034 0.000 0.844 490 A CB -0.944 18.070 19.000 0.023 0.000 0.860 490 A HN 0.541 nan 8.150 nan 0.000 0.486 491 G N -0.962 107.839 108.800 0.000 0.000 2.887 491 G HA2 0.338 4.299 3.960 0.001 0.000 0.211 491 G HA3 0.338 4.299 3.960 0.001 0.000 0.211 491 G C 0.622 175.586 174.900 0.107 0.000 1.152 491 G CA 0.667 45.809 45.100 0.069 0.000 0.769 491 G HN 0.778 nan 8.290 nan 0.000 0.541 492 H N -2.329 116.735 119.070 -0.009 0.000 3.590 492 H HA 0.444 5.001 4.556 0.001 0.000 0.318 492 H C -0.650 174.681 175.328 0.005 0.000 1.648 492 H CA -0.399 55.635 56.048 -0.022 0.000 1.174 492 H CB 0.618 30.346 29.762 -0.057 0.000 1.702 492 H HN -0.010 nan 8.280 nan 0.000 0.713 493 E N -0.389 119.880 120.200 0.115 0.000 2.676 493 E HA 0.101 4.451 4.350 0.001 0.000 0.225 493 E C -0.361 176.352 176.600 0.188 0.000 0.944 493 E CA -0.282 56.150 56.400 0.053 0.000 1.156 493 E CB 1.158 30.887 29.700 0.050 0.000 1.117 493 E HN 0.331 nan 8.360 nan 0.000 0.523 494 E N 0.975 121.503 120.200 0.546 0.000 2.435 494 E HA 0.091 4.442 4.350 0.001 0.000 0.256 494 E C -0.145 176.681 176.600 0.377 0.000 1.245 494 E CA 0.218 56.891 56.400 0.455 0.000 0.989 494 E CB 0.841 30.843 29.700 0.504 0.000 0.983 494 E HN -0.107 nan 8.360 nan 0.000 0.480 495 S N -0.046 115.862 115.700 0.347 0.000 2.454 495 S HA 0.578 5.049 4.470 0.001 0.000 0.306 495 S C -0.402 174.417 174.600 0.365 0.000 1.100 495 S CA -0.640 57.723 58.200 0.271 0.000 1.087 495 S CB 0.242 63.562 63.200 0.199 0.000 1.019 495 S HN 0.303 nan 8.310 nan 0.000 0.480 496 L N 2.706 124.103 121.223 0.289 0.000 2.299 496 L HA 0.988 5.329 4.340 0.001 0.000 0.268 496 L C -0.147 176.788 176.870 0.108 0.000 1.012 496 L CA -1.090 53.922 54.840 0.287 0.000 0.816 496 L CB 1.677 43.905 42.059 0.281 0.000 1.355 496 L HN 0.720 nan 8.230 nan 0.000 0.457 497 A N 1.225 124.093 122.820 0.081 0.000 2.547 497 A HA 0.827 5.148 4.320 0.001 0.000 0.297 497 A C -1.827 175.774 177.584 0.028 0.000 1.056 497 A CA -0.336 51.685 52.037 -0.026 0.000 0.688 497 A CB 1.945 20.831 19.000 -0.190 0.000 1.282 497 A HN 0.555 nan 8.150 nan 0.000 0.400 498 L N 1.669 122.898 121.223 0.010 0.000 2.565 498 L HA 0.514 4.854 4.340 0.001 0.000 0.261 498 L C -1.024 175.839 176.870 -0.011 0.000 0.932 498 L CA -0.462 54.377 54.840 -0.001 0.000 0.878 498 L CB 1.863 43.914 42.059 -0.013 0.000 1.333 498 L HN 0.728 nan 8.230 nan 0.000 0.409 499 N N 2.772 121.467 118.700 -0.008 0.000 2.273 499 N HA 0.390 5.131 4.740 0.001 0.000 0.227 499 N C -0.983 174.505 175.510 -0.036 0.000 1.292 499 N CA 0.203 53.244 53.050 -0.015 0.000 0.875 499 N CB 0.584 39.063 38.487 -0.013 0.000 1.105 499 N HN 0.593 nan 8.380 nan 0.000 0.434 500 L N -0.442 120.758 121.223 -0.038 0.000 2.596 500 L HA 0.338 4.679 4.340 0.001 0.000 0.265 500 L C -0.198 176.649 176.870 -0.038 0.000 0.962 500 L CA -0.400 54.407 54.840 -0.054 0.000 0.891 500 L CB 1.338 43.351 42.059 -0.076 0.000 1.248 500 L HN 0.487 nan 8.230 nan 0.000 0.410 501 S N 1.972 117.653 115.700 -0.032 0.000 2.589 501 S HA 0.272 4.742 4.470 0.001 0.000 0.265 501 S C 1.441 176.033 174.600 -0.013 0.000 1.342 501 S CA 0.368 58.557 58.200 -0.018 0.000 1.005 501 S CB 0.919 64.114 63.200 -0.008 0.000 0.909 501 S HN 1.122 nan 8.310 nan 0.000 0.555 502 S N 3.015 118.712 115.700 -0.005 0.000 2.383 502 S HA -0.057 4.414 4.470 0.001 0.000 0.227 502 S C 2.019 176.622 174.600 0.006 0.000 1.026 502 S CA 1.045 59.246 58.200 0.001 0.000 0.981 502 S CB -1.077 62.124 63.200 0.002 0.000 0.818 502 S HN 1.050 nan 8.310 nan 0.000 0.472 503 A N 0.692 123.516 122.820 0.008 0.000 2.125 503 A HA 0.041 4.362 4.320 0.001 0.000 0.219 503 A C 2.277 179.874 177.584 0.022 0.000 1.156 503 A CA 1.769 53.817 52.037 0.019 0.000 0.671 503 A CB -1.271 17.746 19.000 0.030 0.000 0.794 503 A HN 0.574 nan 8.150 nan 0.000 0.459 504 T N -0.384 114.175 114.554 0.007 0.000 2.978 504 T HA 0.090 4.441 4.350 0.001 0.000 0.262 504 T C 1.650 176.351 174.700 0.001 0.000 1.063 504 T CA 1.036 63.134 62.100 -0.003 0.000 1.140 504 T CB -0.237 68.610 68.868 -0.035 0.000 0.886 504 T HN 0.379 nan 8.240 nan 0.000 0.470 505 L N 0.786 122.011 121.223 0.003 0.000 2.131 505 L HA 0.150 4.491 4.340 0.001 0.000 0.206 505 L C 2.900 179.790 176.870 0.033 0.000 1.087 505 L CA 1.055 55.909 54.840 0.023 0.000 0.767 505 L CB -0.631 41.440 42.059 0.020 0.000 0.917 505 L HN 0.147 nan 8.230 nan 0.000 0.441 506 A N -0.288 122.547 122.820 0.025 0.000 1.851 506 A HA -0.223 4.098 4.320 0.001 0.000 0.216 506 A C 1.140 178.744 177.584 0.032 0.000 1.195 506 A CA 1.373 53.425 52.037 0.025 0.000 0.622 506 A CB -0.719 18.293 19.000 0.020 0.000 0.831 506 A HN 0.405 nan 8.150 nan 0.000 0.444 507 D N -0.591 119.830 120.400 0.035 0.000 2.455 507 D HA 0.193 4.834 4.640 0.001 0.000 0.241 507 D C -2.047 174.282 176.300 0.048 0.000 1.138 507 D CA -1.619 52.406 54.000 0.041 0.000 0.877 507 D CB 0.980 41.807 40.800 0.045 0.000 1.187 507 D HN 0.056 nan 8.370 nan 0.000 0.451 508 P HA 0.034 nan 4.420 nan 0.000 0.257 508 P C 0.780 178.120 177.300 0.066 0.000 1.241 508 P CA 0.335 63.471 63.100 0.061 0.000 0.816 508 P CB 0.381 32.108 31.700 0.046 0.000 1.150 509 Q N 0.589 120.422 119.800 0.054 0.000 2.089 509 Q HA 0.056 4.397 4.340 0.001 0.000 0.195 509 Q C 1.914 177.945 176.000 0.051 0.000 0.963 509 Q CA 1.632 57.465 55.803 0.051 0.000 0.834 509 Q CB -0.811 27.953 28.738 0.044 0.000 0.906 509 Q HN 0.067 nan 8.270 nan 0.000 0.452 510 A N 0.547 123.393 122.820 0.044 0.000 2.081 510 A HA 0.088 4.409 4.320 0.001 0.000 0.214 510 A C 1.940 179.533 177.584 0.014 0.000 1.158 510 A CA 0.222 52.276 52.037 0.028 0.000 0.724 510 A CB -0.519 18.494 19.000 0.023 0.000 0.826 510 A HN 0.529 nan 8.150 nan 0.000 0.463 511 L N -0.112 121.134 121.223 0.037 0.000 2.017 511 L HA -0.206 4.135 4.340 0.001 0.000 0.208 511 L C 2.095 179.035 176.870 0.117 0.000 1.073 511 L CA 1.864 56.727 54.840 0.038 0.000 0.745 511 L CB -0.462 41.664 42.059 0.112 0.000 0.894 511 L HN 0.496 nan 8.230 nan 0.000 0.432 512 N N -0.537 118.291 118.700 0.214 0.000 2.216 512 N HA -0.187 4.554 4.740 0.001 0.000 0.183 512 N C 1.694 177.337 175.510 0.223 0.000 1.017 512 N CA 0.449 53.707 53.050 0.348 0.000 0.861 512 N CB 0.081 38.678 38.487 0.184 0.000 0.986 512 N HN 0.158 nan 8.380 nan 0.000 0.428 513 K N 1.590 122.050 120.400 0.100 0.000 2.071 513 K HA -0.163 4.158 4.320 0.001 0.000 0.217 513 K C 1.965 178.575 176.600 0.017 0.000 1.054 513 K CA 1.029 57.346 56.287 0.050 0.000 0.937 513 K CB -0.924 31.588 32.500 0.020 0.000 0.719 513 K HN 0.006 nan 8.250 nan 0.000 0.454 514 V N 0.585 120.455 119.914 -0.073 0.000 2.332 514 V HA -0.248 3.872 4.120 0.001 0.000 0.248 514 V C 2.221 178.164 176.094 -0.251 0.000 1.055 514 V CA 1.943 64.111 62.300 -0.219 0.000 1.038 514 V CB -0.579 31.006 31.823 -0.396 0.000 0.651 514 V HN 0.143 nan 8.190 nan 0.000 0.450 515 F N 0.402 120.302 119.950 -0.084 0.000 2.171 515 F HA -0.165 4.363 4.527 0.001 0.000 0.300 515 F C 2.442 178.202 175.800 -0.066 0.000 1.090 515 F CA 1.853 59.793 58.000 -0.101 0.000 1.293 515 F CB -0.523 38.438 39.000 -0.065 0.000 1.013 515 F HN 0.151 nan 8.300 nan 0.000 0.486 516 E N 0.796 121.089 120.200 0.155 0.000 2.077 516 E HA -0.180 4.170 4.350 0.001 0.000 0.193 516 E C 2.219 178.872 176.600 0.089 0.000 0.989 516 E CA 1.279 57.741 56.400 0.104 0.000 0.800 516 E CB -0.310 29.440 29.700 0.083 0.000 0.746 516 E HN 0.359 nan 8.360 nan 0.000 0.452 517 I N 0.076 120.681 120.570 0.058 0.000 2.286 517 I HA -0.265 3.906 4.170 0.001 0.000 0.248 517 I C 1.983 178.187 176.117 0.144 0.000 1.115 517 I CA 0.787 62.146 61.300 0.098 0.000 1.392 517 I CB -0.271 37.727 38.000 -0.003 0.000 1.065 517 I HN 0.198 nan 8.210 nan 0.000 0.418 518 L N 0.362 121.558 121.223 -0.046 0.000 2.046 518 L HA -0.191 4.150 4.340 0.001 0.000 0.208 518 L C 2.667 179.606 176.870 0.115 0.000 1.077 518 L CA 1.551 56.275 54.840 -0.194 0.000 0.747 518 L CB -0.655 41.052 42.059 -0.587 0.000 0.896 518 L HN 0.109 nan 8.230 nan 0.000 0.432 519 R N -0.161 120.412 120.500 0.122 0.000 2.081 519 R HA -0.139 4.202 4.340 0.001 0.000 0.235 519 R C 2.258 178.647 176.300 0.149 0.000 1.131 519 R CA 1.429 57.622 56.100 0.154 0.000 0.960 519 R CB -0.418 29.947 30.300 0.108 0.000 0.856 519 R HN 0.341 nan 8.270 nan 0.000 0.436 520 A N -0.076 122.819 122.820 0.124 0.000 1.902 520 A HA -0.131 4.190 4.320 0.001 0.000 0.217 520 A C 0.536 178.059 177.584 -0.102 0.000 1.181 520 A CA 1.456 53.479 52.037 -0.024 0.000 0.623 520 A CB -0.619 18.308 19.000 -0.121 0.000 0.818 520 A HN 0.534 nan 8.150 nan 0.000 0.443 521 H N 0.572 119.721 119.070 0.132 0.000 2.680 521 H HA 0.340 4.897 4.556 0.001 0.000 0.224 521 H C 1.417 176.880 175.328 0.224 0.000 1.866 521 H CA 0.213 56.356 56.048 0.158 0.000 1.302 521 H CB -0.140 29.727 29.762 0.174 0.000 1.709 521 H HN 0.465 nan 8.280 nan 0.000 0.537 522 S N 0.441 116.266 115.700 0.209 0.000 2.382 522 S HA -0.260 4.211 4.470 0.001 0.000 0.228 522 S C 2.105 176.724 174.600 0.031 0.000 1.027 522 S CA 1.157 59.456 58.200 0.164 0.000 0.991 522 S CB 0.016 63.272 63.200 0.093 0.000 0.823 522 S HN 0.537 nan 8.310 nan 0.000 0.469 523 N N 2.181 120.900 118.700 0.031 0.000 2.166 523 N HA -0.036 4.705 4.740 0.001 0.000 0.186 523 N C 1.242 176.696 175.510 -0.093 0.000 1.019 523 N CA 1.182 54.217 53.050 -0.025 0.000 0.856 523 N CB -0.592 37.897 38.487 0.003 0.000 0.993 523 N HN 0.549 nan 8.380 nan 0.000 0.426 524 L N -0.868 120.300 121.223 -0.092 0.000 2.611 524 L HA 0.328 4.668 4.340 0.001 0.000 0.229 524 L C 2.098 178.708 176.870 -0.432 0.000 1.137 524 L CA 0.125 54.877 54.840 -0.148 0.000 0.901 524 L CB -0.249 41.806 42.059 -0.007 0.000 1.098 524 L HN 0.073 nan 8.230 nan 0.000 0.456 525 G N 0.684 108.915 108.800 -0.949 0.000 2.442 525 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 525 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 525 G C 1.773 176.274 174.900 -0.665 0.000 1.141 525 G CA 0.919 44.917 45.100 -1.836 0.000 0.763 525 G HN 0.462 nan 8.290 nan 0.000 0.554 526 A N 0.595 123.194 122.820 -0.368 0.000 1.933 526 A HA 0.009 4.330 4.320 0.001 0.000 0.218 526 A C 2.434 179.966 177.584 -0.087 0.000 1.175 526 A CA 1.497 53.434 52.037 -0.165 0.000 0.628 526 A CB -0.266 18.669 19.000 -0.109 0.000 0.814 526 A HN 0.379 nan 8.150 nan 0.000 0.444 527 R N -2.046 118.402 120.500 -0.087 0.000 2.254 527 R HA 0.241 4.582 4.340 0.001 0.000 0.195 527 R C -0.147 176.180 176.300 0.045 0.000 0.957 527 R CA -0.136 55.965 56.100 0.002 0.000 1.024 527 R CB -0.068 30.235 30.300 0.004 0.000 0.952 527 R HN 0.417 nan 8.270 nan 0.000 0.484 528 L N 0.315 121.552 121.223 0.022 0.000 2.344 528 L HA 0.377 4.718 4.340 0.001 0.000 0.272 528 L C -0.826 176.109 176.870 0.107 0.000 1.035 528 L CA 0.284 55.185 54.840 0.102 0.000 0.807 528 L CB 2.189 44.373 42.059 0.208 0.000 1.237 528 L HN -0.158 nan 8.230 nan 0.000 0.442 529 T N 4.724 119.323 114.554 0.075 0.000 3.109 529 T HA 0.497 4.848 4.350 0.001 0.000 0.311 529 T C -0.629 174.064 174.700 -0.012 0.000 1.011 529 T CA -0.484 61.629 62.100 0.021 0.000 1.026 529 T CB 0.901 69.760 68.868 -0.015 0.000 1.047 529 T HN 0.433 nan 8.240 nan 0.000 0.448 530 L N 2.316 123.522 121.223 -0.029 0.000 2.375 530 L HA 0.671 5.012 4.340 0.001 0.000 0.268 530 L C 0.370 177.192 176.870 -0.081 0.000 1.058 530 L CA -0.817 53.992 54.840 -0.052 0.000 0.803 530 L CB 1.009 43.028 42.059 -0.066 0.000 1.212 530 L HN 0.558 nan 8.230 nan 0.000 0.451 531 E N 2.444 122.611 120.200 -0.054 0.000 2.281 531 E HA 0.463 4.814 4.350 0.001 0.000 0.266 531 E C -1.322 175.267 176.600 -0.018 0.000 0.893 531 E CA -0.362 56.014 56.400 -0.040 0.000 0.798 531 E CB 2.433 32.139 29.700 0.009 0.000 1.245 531 E HN 0.400 nan 8.360 nan 0.000 0.410 532 I N 0.557 121.119 120.570 -0.013 0.000 2.577 532 I HA 0.487 4.658 4.170 0.001 0.000 0.305 532 I C 0.912 177.049 176.117 0.034 0.000 0.986 532 I CA -1.171 60.132 61.300 0.006 0.000 1.189 532 I CB 1.337 39.342 38.000 0.008 0.000 1.355 532 I HN 0.440 nan 8.210 nan 0.000 0.476 533 G N 1.626 110.446 108.800 0.034 0.000 2.403 533 G HA2 0.087 4.048 3.960 0.001 0.000 0.259 533 G HA3 0.087 4.048 3.960 0.001 0.000 0.259 533 G C 0.591 175.529 174.900 0.063 0.000 1.244 533 G CA -0.294 44.836 45.100 0.050 0.000 0.849 533 G HN 0.928 nan 8.290 nan 0.000 0.532 534 E N 1.065 121.320 120.200 0.093 0.000 2.219 534 E HA -0.229 4.122 4.350 0.001 0.000 0.198 534 E C 2.148 178.780 176.600 0.054 0.000 0.998 534 E CA 1.668 58.127 56.400 0.098 0.000 0.818 534 E CB 0.195 29.943 29.700 0.080 0.000 0.741 534 E HN 0.706 nan 8.360 nan 0.000 0.477 535 E N 0.368 120.591 120.200 0.038 0.000 2.158 535 E HA -0.202 4.149 4.350 0.001 0.000 0.191 535 E C 1.432 178.046 176.600 0.024 0.000 0.982 535 E CA 0.932 57.347 56.400 0.026 0.000 0.823 535 E CB -0.372 29.340 29.700 0.019 0.000 0.766 535 E HN 0.413 nan 8.360 nan 0.000 0.468 536 Q N 0.591 120.405 119.800 0.024 0.000 2.415 536 Q HA 0.222 4.563 4.340 0.001 0.000 0.206 536 Q C 0.198 176.211 176.000 0.023 0.000 0.946 536 Q CA -0.227 55.587 55.803 0.017 0.000 0.951 536 Q CB 0.086 28.831 28.738 0.011 0.000 1.026 536 Q HN 0.267 nan 8.270 nan 0.000 0.510 537 L N 3.153 124.396 121.223 0.033 0.000 2.499 537 L HA 0.083 4.424 4.340 0.001 0.000 0.273 537 L C -1.486 175.403 176.870 0.032 0.000 1.195 537 L CA -1.173 53.689 54.840 0.038 0.000 0.882 537 L CB -0.163 41.928 42.059 0.053 0.000 1.133 537 L HN 0.074 nan 8.230 nan 0.000 0.483 538 P HA 0.115 nan 4.420 nan 0.000 0.297 538 P C -0.987 176.333 177.300 0.034 0.000 1.303 538 P CA -0.707 62.411 63.100 0.030 0.000 0.753 538 P CB 0.365 32.084 31.700 0.032 0.000 1.281 539 E N -0.242 119.976 120.200 0.031 0.000 2.392 539 E HA 0.004 4.355 4.350 0.001 0.000 0.264 539 E C 1.023 177.645 176.600 0.037 0.000 1.024 539 E CA -0.270 56.150 56.400 0.032 0.000 0.903 539 E CB 0.226 29.942 29.700 0.026 0.000 0.963 539 E HN 0.286 nan 8.360 nan 0.000 0.432 540 Q N 1.521 121.347 119.800 0.044 0.000 2.242 540 Q HA -0.294 4.047 4.340 0.001 0.000 0.211 540 Q C 2.066 178.088 176.000 0.037 0.000 0.992 540 Q CA 1.940 57.771 55.803 0.047 0.000 0.889 540 Q CB -0.326 28.446 28.738 0.056 0.000 0.913 540 Q HN 0.764 nan 8.270 nan 0.000 0.422 541 A N 0.245 123.084 122.820 0.031 0.000 1.877 541 A HA -0.140 4.181 4.320 0.001 0.000 0.216 541 A C 2.323 179.920 177.584 0.023 0.000 1.186 541 A CA 1.406 53.458 52.037 0.024 0.000 0.620 541 A CB -0.694 18.318 19.000 0.020 0.000 0.822 541 A HN 0.235 nan 8.150 nan 0.000 0.443 542 V N -0.355 119.575 119.914 0.026 0.000 2.358 542 V HA -0.178 3.943 4.120 0.001 0.000 0.246 542 V C 2.464 178.579 176.094 0.035 0.000 1.047 542 V CA 1.813 64.130 62.300 0.029 0.000 1.035 542 V CB -0.529 31.313 31.823 0.032 0.000 0.658 542 V HN 0.566 nan 8.190 nan 0.000 0.452 543 L N 0.312 121.557 121.223 0.037 0.000 2.042 543 L HA -0.181 4.159 4.340 0.001 0.000 0.210 543 L C 2.309 179.200 176.870 0.034 0.000 1.076 543 L CA 2.160 57.023 54.840 0.038 0.000 0.749 543 L CB -0.888 41.195 42.059 0.040 0.000 0.893 543 L HN 0.402 nan 8.230 nan 0.000 0.432 544 E N -1.140 119.077 120.200 0.029 0.000 2.085 544 E HA -0.267 4.083 4.350 0.001 0.000 0.194 544 E C 2.236 178.848 176.600 0.020 0.000 0.994 544 E CA 1.423 57.836 56.400 0.021 0.000 0.801 544 E CB -0.053 29.657 29.700 0.018 0.000 0.743 544 E HN 0.594 nan 8.360 nan 0.000 0.453 545 Q N 0.006 119.818 119.800 0.020 0.000 2.050 545 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 545 Q C 2.323 178.342 176.000 0.031 0.000 0.980 545 Q CA 1.216 57.026 55.803 0.012 0.000 0.840 545 Q CB -0.114 28.627 28.738 0.004 0.000 0.898 545 Q HN 0.375 nan 8.270 nan 0.000 0.424 546 L N -0.003 121.257 121.223 0.061 0.000 2.056 546 L HA -0.185 4.155 4.340 0.001 0.000 0.207 546 L C 2.535 179.463 176.870 0.097 0.000 1.078 546 L CA 1.732 56.641 54.840 0.115 0.000 0.749 546 L CB -0.478 41.650 42.059 0.114 0.000 0.901 546 L HN 0.320 nan 8.230 nan 0.000 0.433 547 T N -0.329 114.259 114.554 0.056 0.000 2.788 547 T HA -0.225 4.126 4.350 0.001 0.000 0.268 547 T C 1.938 176.666 174.700 0.046 0.000 1.044 547 T CA 1.694 63.818 62.100 0.040 0.000 1.139 547 T CB -0.087 68.790 68.868 0.016 0.000 0.867 547 T HN 0.595 nan 8.240 nan 0.000 0.454 548 R N 0.019 120.542 120.500 0.037 0.000 2.051 548 R HA 0.163 4.504 4.340 0.001 0.000 0.225 548 R C 2.624 178.948 176.300 0.040 0.000 1.155 548 R CA 0.919 57.036 56.100 0.029 0.000 0.945 548 R CB -0.671 29.636 30.300 0.011 0.000 0.840 548 R HN 0.195 nan 8.270 nan 0.000 0.432 549 R N 0.644 121.160 120.500 0.027 0.000 2.153 549 R HA -0.096 4.245 4.340 0.001 0.000 0.252 549 R C 2.336 178.693 176.300 0.096 0.000 1.158 549 R CA 1.854 57.958 56.100 0.006 0.000 0.975 549 R CB -0.414 29.818 30.300 -0.112 0.000 0.871 549 R HN 0.304 nan 8.270 nan 0.000 0.450 550 L N -0.381 120.934 121.223 0.153 0.000 1.976 550 L HA -0.209 4.132 4.340 0.001 0.000 0.209 550 L C 2.546 179.522 176.870 0.176 0.000 1.071 550 L CA 1.779 56.727 54.840 0.181 0.000 0.746 550 L CB -0.706 41.440 42.059 0.145 0.000 0.890 550 L HN 0.262 nan 8.230 nan 0.000 0.432 551 R N 0.389 120.960 120.500 0.118 0.000 2.154 551 R HA -0.233 4.108 4.340 0.001 0.000 0.248 551 R C 2.050 178.407 176.300 0.095 0.000 1.155 551 R CA 1.776 57.932 56.100 0.094 0.000 0.979 551 R CB -0.048 30.283 30.300 0.051 0.000 0.869 551 R HN 0.442 nan 8.270 nan 0.000 0.452 552 E N 0.195 120.449 120.200 0.090 0.000 2.058 552 E HA -0.203 4.148 4.350 0.001 0.000 0.194 552 E C 1.779 178.450 176.600 0.118 0.000 0.997 552 E CA 1.497 57.944 56.400 0.077 0.000 0.801 552 E CB -0.158 29.572 29.700 0.050 0.000 0.746 552 E HN 0.374 nan 8.360 nan 0.000 0.450 553 L N 0.011 121.348 121.223 0.190 0.000 2.633 553 L HA -0.005 4.336 4.340 0.001 0.000 0.235 553 L C 1.481 178.566 176.870 0.359 0.000 1.163 553 L CA 0.493 55.522 54.840 0.316 0.000 0.859 553 L CB -0.509 41.789 42.059 0.399 0.000 0.973 553 L HN 0.384 nan 8.230 nan 0.000 0.451 554 G N -0.532 108.387 108.800 0.198 0.000 2.168 554 G HA2 -0.326 3.634 3.960 0.001 0.000 0.263 554 G HA3 -0.326 3.634 3.960 0.001 0.000 0.263 554 G C 0.205 175.098 174.900 -0.011 0.000 0.977 554 G CA -0.103 45.031 45.100 0.055 0.000 0.659 554 G HN 0.269 nan 8.290 nan 0.000 0.533 555 F N 1.542 121.510 119.950 0.030 0.000 2.371 555 F HA 0.598 5.126 4.527 0.001 0.000 0.329 555 F C 1.120 176.922 175.800 0.004 0.000 1.107 555 F CA -0.097 57.914 58.000 0.018 0.000 1.137 555 F CB 1.520 40.530 39.000 0.017 0.000 1.214 555 F HN 0.088 nan 8.300 nan 0.000 0.536 556 S N 2.342 118.142 115.700 0.167 0.000 2.690 556 S HA 0.756 5.227 4.470 0.001 0.000 0.291 556 S C -1.258 173.355 174.600 0.022 0.000 1.138 556 S CA -0.715 57.524 58.200 0.064 0.000 1.013 556 S CB 2.053 65.270 63.200 0.029 0.000 1.053 556 S HN 0.459 nan 8.310 nan 0.000 0.539 557 L N 0.897 122.087 121.223 -0.055 0.000 2.422 557 L HA 0.806 5.147 4.340 0.001 0.000 0.264 557 L C -0.867 175.856 176.870 -0.245 0.000 0.984 557 L CA 0.133 54.906 54.840 -0.112 0.000 0.819 557 L CB 1.951 43.975 42.059 -0.057 0.000 1.330 557 L HN 0.788 nan 8.230 nan 0.000 0.410 558 S N 2.977 118.479 115.700 -0.329 0.000 2.705 558 S HA 0.813 5.283 4.470 0.001 0.000 0.280 558 S C -1.621 172.826 174.600 -0.255 0.000 1.174 558 S CA -0.630 57.282 58.200 -0.481 0.000 0.823 558 S CB 1.655 64.088 63.200 -1.279 0.000 1.162 558 S HN 0.472 nan 8.310 nan 0.000 0.487 559 L N 1.899 123.010 121.223 -0.186 0.000 2.334 559 L HA 0.610 4.951 4.340 0.001 0.000 0.273 559 L C -0.181 176.734 176.870 0.075 0.000 1.013 559 L CA -0.126 54.700 54.840 -0.024 0.000 0.816 559 L CB 1.686 43.754 42.059 0.016 0.000 1.278 559 L HN 0.822 nan 8.230 nan 0.000 0.431 560 Q N 1.785 121.656 119.800 0.120 0.000 2.458 560 Q HA 0.674 5.015 4.340 0.001 0.000 0.282 560 Q C -0.725 175.378 176.000 0.171 0.000 1.106 560 Q CA -0.963 54.937 55.803 0.161 0.000 0.814 560 Q CB 1.574 30.391 28.738 0.131 0.000 1.425 560 Q HN 0.437 nan 8.270 nan 0.000 0.437 561 R N 0.037 120.641 120.500 0.172 0.000 3.333 561 R HA -0.198 4.143 4.340 0.001 0.000 0.256 561 R C -1.175 175.244 176.300 0.198 0.000 1.010 561 R CA 0.464 56.655 56.100 0.152 0.000 0.680 561 R CB -1.863 28.488 30.300 0.084 0.000 1.102 561 R HN 0.570 nan 8.270 nan 0.000 0.440 562 F N -0.065 119.941 119.950 0.095 0.000 2.427 562 F HA 0.412 4.939 4.527 0.001 0.000 0.352 562 F C 1.254 177.119 175.800 0.109 0.000 1.100 562 F CA 0.337 58.372 58.000 0.058 0.000 1.191 562 F CB 1.241 40.246 39.000 0.008 0.000 1.128 562 F HN 0.104 nan 8.300 nan 0.000 0.533 563 G N 2.637 111.068 108.800 -0.616 0.000 4.379 563 G HA2 0.404 4.364 3.960 0.001 0.000 0.290 563 G HA3 0.404 4.364 3.960 0.001 0.000 0.290 563 G C 0.707 175.279 174.900 -0.547 0.000 1.065 563 G CA -0.019 44.904 45.100 -0.295 0.000 0.833 563 G HN 1.481 nan 8.290 nan 0.000 0.512 564 G N 0.434 108.464 108.800 -1.283 0.000 2.159 564 G HA2 -0.296 3.665 3.960 0.001 0.000 0.256 564 G HA3 -0.296 3.665 3.960 0.001 0.000 0.256 564 G C 0.673 175.203 174.900 -0.617 0.000 0.977 564 G CA 0.019 44.620 45.100 -0.830 0.000 0.652 564 G HN 0.561 nan 8.290 nan 0.000 0.531 565 R N 0.243 120.382 120.500 -0.603 0.000 4.154 565 R HA 0.393 4.734 4.340 0.001 0.000 0.186 565 R C 1.355 177.605 176.300 -0.083 0.000 1.750 565 R CA -0.492 55.471 56.100 -0.229 0.000 1.431 565 R CB -0.548 29.660 30.300 -0.152 0.000 1.383 565 R HN 0.300 nan 8.270 nan 0.000 0.788 566 F N 0.028 120.049 119.950 0.118 0.000 2.095 566 F HA -0.298 4.229 4.527 0.001 0.000 0.298 566 F C 2.645 178.519 175.800 0.123 0.000 1.104 566 F CA 1.828 59.944 58.000 0.194 0.000 1.232 566 F CB -0.639 38.452 39.000 0.152 0.000 0.987 566 F HN 0.343 nan 8.300 nan 0.000 0.475 567 S N -0.400 115.459 115.700 0.265 0.000 2.407 567 S HA -0.276 4.195 4.470 0.001 0.000 0.235 567 S C 1.923 176.602 174.600 0.132 0.000 1.036 567 S CA 1.506 59.799 58.200 0.155 0.000 1.013 567 S CB -0.547 62.711 63.200 0.096 0.000 0.820 567 S HN 0.223 nan 8.310 nan 0.000 0.476 568 M N 0.789 120.465 119.600 0.126 0.000 2.319 568 M HA 0.192 4.673 4.480 0.001 0.000 0.265 568 M C 1.821 178.198 176.300 0.127 0.000 1.068 568 M CA 0.666 56.026 55.300 0.100 0.000 1.118 568 M CB -1.099 31.544 32.600 0.071 0.000 1.395 568 M HN 0.340 nan 8.290 nan 0.000 0.435 569 I N -1.113 119.570 120.570 0.189 0.000 2.628 569 I HA 0.117 4.287 4.170 0.001 0.000 0.255 569 I C 2.238 178.462 176.117 0.178 0.000 1.119 569 I CA 1.250 62.669 61.300 0.199 0.000 1.448 569 I CB -1.722 36.451 38.000 0.288 0.000 1.133 569 I HN 0.360 nan 8.210 nan 0.000 0.438 570 G N 2.998 111.921 108.800 0.206 0.000 4.674 570 G HA2 -0.453 3.507 3.960 0.001 0.000 0.322 570 G HA3 -0.453 3.507 3.960 0.001 0.000 0.322 570 G C 0.822 175.826 174.900 0.172 0.000 1.649 570 G CA 1.082 46.285 45.100 0.171 0.000 1.604 570 G HN 0.556 nan 8.290 nan 0.000 0.855 571 N N 2.181 120.954 118.700 0.121 0.000 2.523 571 N HA 0.281 5.021 4.740 0.001 0.000 0.208 571 N C 1.594 177.143 175.510 0.066 0.000 1.313 571 N CA 1.048 54.147 53.050 0.082 0.000 0.853 571 N CB 0.108 38.628 38.487 0.056 0.000 1.090 571 N HN 0.629 nan 8.380 nan 0.000 0.463 572 L N 0.766 122.054 121.223 0.108 0.000 1.961 572 L HA -0.006 4.334 4.340 0.001 0.000 0.210 572 L C 2.271 179.100 176.870 -0.069 0.000 1.072 572 L CA 2.025 56.901 54.840 0.061 0.000 0.749 572 L CB -1.223 40.941 42.059 0.176 0.000 0.889 572 L HN 0.259 nan 8.230 nan 0.000 0.432 573 A N -0.400 122.299 122.820 -0.202 0.000 2.032 573 A HA -0.246 4.075 4.320 0.001 0.000 0.221 573 A C 2.321 179.821 177.584 -0.140 0.000 1.165 573 A CA 1.935 53.805 52.037 -0.279 0.000 0.645 573 A CB -0.672 18.066 19.000 -0.437 0.000 0.807 573 A HN 0.609 nan 8.150 nan 0.000 0.453 574 R N -0.619 119.834 120.500 -0.078 0.000 2.148 574 R HA 0.050 4.391 4.340 0.001 0.000 0.223 574 R C 1.859 178.139 176.300 -0.034 0.000 1.088 574 R CA 1.083 57.158 56.100 -0.043 0.000 0.985 574 R CB -0.456 29.836 30.300 -0.013 0.000 0.880 574 R HN 0.526 nan 8.270 nan 0.000 0.451 575 L N -0.004 121.200 121.223 -0.032 0.000 2.056 575 L HA 0.018 4.358 4.340 0.001 0.000 0.207 575 L C 1.120 177.970 176.870 -0.033 0.000 1.078 575 L CA 1.073 55.900 54.840 -0.022 0.000 0.749 575 L CB -0.584 41.466 42.059 -0.014 0.000 0.901 575 L HN 0.425 nan 8.230 nan 0.000 0.433 576 G N 1.139 109.907 108.800 -0.054 0.000 2.470 576 G HA2 -0.222 3.739 3.960 0.001 0.000 0.286 576 G HA3 -0.222 3.739 3.960 0.001 0.000 0.286 576 G C -0.282 174.585 174.900 -0.056 0.000 1.115 576 G CA -0.393 44.675 45.100 -0.054 0.000 1.122 576 G HN 0.129 nan 8.290 nan 0.000 0.522 577 L N -0.074 121.103 121.223 -0.076 0.000 2.375 577 L HA 0.560 4.901 4.340 0.001 0.000 0.271 577 L C 1.942 178.753 176.870 -0.099 0.000 1.107 577 L CA -0.291 54.485 54.840 -0.106 0.000 0.806 577 L CB 1.213 43.193 42.059 -0.132 0.000 1.146 577 L HN 0.393 nan 8.230 nan 0.000 0.447 578 A N 3.153 125.886 122.820 -0.144 0.000 1.933 578 A HA -0.044 4.277 4.320 0.001 0.000 0.218 578 A C 0.285 177.945 177.584 0.126 0.000 1.175 578 A CA 1.556 53.579 52.037 -0.024 0.000 0.628 578 A CB -0.251 18.734 19.000 -0.024 0.000 0.814 578 A HN 0.783 nan 8.150 nan 0.000 0.444 579 Y N -5.245 115.053 120.300 -0.004 0.000 2.851 579 Y HA 0.599 5.150 4.550 0.002 0.000 0.359 579 Y C -1.433 174.441 175.900 -0.043 0.000 1.231 579 Y CA -1.951 56.148 58.100 -0.001 0.000 1.106 579 Y CB 0.314 38.825 38.460 0.085 0.000 1.409 579 Y HN -0.065 nan 8.280 nan 0.000 0.454 580 L N 2.185 123.510 121.223 0.169 0.000 2.341 580 L HA 0.587 4.928 4.340 0.001 0.000 0.278 580 L C -0.667 176.336 176.870 0.221 0.000 1.005 580 L CA -0.986 53.867 54.840 0.023 0.000 0.818 580 L CB 2.068 43.912 42.059 -0.358 0.000 1.259 580 L HN 0.547 nan 8.230 nan 0.000 0.418 581 K N 3.941 124.503 120.400 0.270 0.000 2.253 581 K HA 0.434 4.754 4.320 0.001 0.000 0.277 581 K C -0.520 176.222 176.600 0.237 0.000 1.053 581 K CA -0.733 55.703 56.287 0.248 0.000 0.892 581 K CB 1.396 34.059 32.500 0.271 0.000 1.102 581 K HN 0.402 nan 8.250 nan 0.000 0.469 582 I N 3.121 123.820 120.570 0.215 0.000 2.587 582 I HA -0.082 4.089 4.170 0.001 0.000 0.284 582 I C 1.016 177.289 176.117 0.259 0.000 1.134 582 I CA 0.182 61.642 61.300 0.266 0.000 1.410 582 I CB -0.072 38.052 38.000 0.205 0.000 1.392 582 I HN 0.675 nan 8.210 nan 0.000 0.545 583 D N 5.201 125.786 120.400 0.307 0.000 2.548 583 D HA -0.063 4.577 4.640 0.001 0.000 0.231 583 D C 1.046 177.463 176.300 0.195 0.000 1.142 583 D CA 0.414 54.542 54.000 0.214 0.000 0.866 583 D CB 1.223 42.130 40.800 0.179 0.000 1.190 583 D HN 0.792 nan 8.370 nan 0.000 0.469 584 G N 1.373 110.211 108.800 0.064 0.000 3.141 584 G HA2 -0.101 3.860 3.960 0.001 0.000 0.218 584 G HA3 -0.101 3.860 3.960 0.001 0.000 0.218 584 G C 1.422 176.298 174.900 -0.040 0.000 1.170 584 G CA 0.467 45.598 45.100 0.051 0.000 0.769 584 G HN 0.498 nan 8.290 nan 0.000 0.546 585 S N -0.325 115.259 115.700 -0.195 0.000 2.453 585 S HA -0.050 4.420 4.470 0.001 0.000 0.231 585 S C 1.847 176.240 174.600 -0.345 0.000 1.005 585 S CA 0.589 58.573 58.200 -0.360 0.000 0.949 585 S CB -0.429 62.415 63.200 -0.594 0.000 0.774 585 S HN 0.366 nan 8.310 nan 0.000 0.510 586 Y N 0.453 120.758 120.300 0.008 0.000 2.448 586 Y HA 0.356 4.906 4.550 0.001 0.000 0.289 586 Y C 1.957 177.906 175.900 0.081 0.000 1.114 586 Y CA -0.280 57.861 58.100 0.069 0.000 1.235 586 Y CB -0.392 38.157 38.460 0.148 0.000 1.045 586 Y HN 0.248 nan 8.280 nan 0.000 0.554 587 I N 0.080 120.760 120.570 0.183 0.000 2.277 587 I HA -0.133 4.038 4.170 0.001 0.000 0.243 587 I C 0.765 176.937 176.117 0.091 0.000 1.094 587 I CA 0.654 62.036 61.300 0.135 0.000 1.393 587 I CB -0.484 37.584 38.000 0.113 0.000 1.078 587 I HN -0.066 nan 8.210 nan 0.000 0.417 588 R N 1.608 122.138 120.500 0.050 0.000 2.488 588 R HA 0.246 4.587 4.340 0.001 0.000 0.317 588 R C 0.803 177.127 176.300 0.041 0.000 0.941 588 R CA 0.690 56.808 56.100 0.030 0.000 1.076 588 R CB -0.462 29.835 30.300 -0.006 0.000 0.917 588 R HN 0.332 nan 8.270 nan 0.000 0.407 589 A N 2.888 125.734 122.820 0.045 0.000 3.009 589 A HA -0.190 4.131 4.320 0.001 0.000 0.264 589 A C 1.008 178.634 177.584 0.069 0.000 1.408 589 A CA 0.585 52.651 52.037 0.047 0.000 0.789 589 A CB -1.980 17.041 19.000 0.036 0.000 1.040 589 A HN 0.925 nan 8.150 nan 0.000 0.576 590 I N 0.207 120.827 120.570 0.082 0.000 2.202 590 I HA -0.256 3.915 4.170 0.001 0.000 0.242 590 I C 2.341 178.506 176.117 0.080 0.000 1.091 590 I CA 2.290 63.649 61.300 0.100 0.000 1.368 590 I CB -0.179 37.885 38.000 0.108 0.000 1.058 590 I HN 0.757 nan 8.210 nan 0.000 0.410 591 D N 0.343 120.780 120.400 0.063 0.000 2.116 591 D HA -0.322 4.319 4.640 0.001 0.000 0.193 591 D C 1.874 178.203 176.300 0.048 0.000 0.998 591 D CA 1.707 55.737 54.000 0.051 0.000 0.836 591 D CB -0.766 40.059 40.800 0.040 0.000 0.951 591 D HN 0.483 nan 8.370 nan 0.000 0.449 592 Q N -0.217 119.612 119.800 0.047 0.000 2.398 592 Q HA 0.132 4.473 4.340 0.001 0.000 0.204 592 Q C 0.098 176.129 176.000 0.051 0.000 0.932 592 Q CA 0.480 56.309 55.803 0.042 0.000 0.916 592 Q CB 0.344 29.103 28.738 0.034 0.000 1.024 592 Q HN 0.416 nan 8.270 nan 0.000 0.504 593 E N 0.431 120.672 120.200 0.067 0.000 2.255 593 E HA 0.206 4.557 4.350 0.001 0.000 0.245 593 E C -0.073 176.586 176.600 0.099 0.000 0.909 593 E CA -0.209 56.240 56.400 0.082 0.000 0.747 593 E CB 1.456 31.214 29.700 0.095 0.000 1.215 593 E HN 0.057 nan 8.360 nan 0.000 0.424 594 S N 2.790 118.537 115.700 0.079 0.000 2.380 594 S HA -0.284 4.186 4.470 0.001 0.000 0.229 594 S C 1.670 176.333 174.600 0.105 0.000 1.050 594 S CA 2.110 60.358 58.200 0.079 0.000 1.100 594 S CB -0.263 62.970 63.200 0.055 0.000 0.984 594 S HN 0.752 nan 8.310 nan 0.000 0.434 595 D N 1.833 122.295 120.400 0.103 0.000 2.158 595 D HA -0.206 4.435 4.640 0.001 0.000 0.197 595 D C 1.576 178.017 176.300 0.236 0.000 0.995 595 D CA 1.326 55.391 54.000 0.108 0.000 0.846 595 D CB -0.417 40.403 40.800 0.032 0.000 0.941 595 D HN 0.421 nan 8.370 nan 0.000 0.456 596 K N 0.286 120.863 120.400 0.295 0.000 1.973 596 K HA -0.088 4.233 4.320 0.001 0.000 0.210 596 K C 2.528 179.302 176.600 0.290 0.000 1.045 596 K CA 0.948 57.468 56.287 0.388 0.000 0.937 596 K CB -0.196 32.502 32.500 0.331 0.000 0.721 596 K HN 0.027 nan 8.250 nan 0.000 0.438 597 R N 1.127 121.743 120.500 0.192 0.000 2.119 597 R HA -0.182 4.158 4.340 0.001 0.000 0.246 597 R C 2.248 178.625 176.300 0.129 0.000 1.146 597 R CA 1.328 57.509 56.100 0.136 0.000 0.962 597 R CB -0.196 30.164 30.300 0.100 0.000 0.863 597 R HN 0.147 nan 8.270 nan 0.000 0.442 598 L N -0.136 121.176 121.223 0.148 0.000 2.005 598 L HA -0.184 4.156 4.340 0.001 0.000 0.207 598 L C 2.348 179.332 176.870 0.190 0.000 1.072 598 L CA 1.597 56.520 54.840 0.139 0.000 0.744 598 L CB -0.994 41.138 42.059 0.121 0.000 0.895 598 L HN 0.259 nan 8.230 nan 0.000 0.433 599 F N 0.694 120.694 119.950 0.084 0.000 2.202 599 F HA -0.235 4.293 4.527 0.001 0.000 0.301 599 F C 2.322 178.159 175.800 0.062 0.000 1.082 599 F CA 1.182 59.230 58.000 0.081 0.000 1.313 599 F CB -0.112 38.977 39.000 0.148 0.000 1.024 599 F HN -0.029 nan 8.300 nan 0.000 0.495 600 I N 0.238 120.776 120.570 -0.053 0.000 2.333 600 I HA -0.164 4.006 4.170 0.001 0.000 0.246 600 I C 2.279 178.347 176.117 -0.082 0.000 1.106 600 I CA 0.959 62.157 61.300 -0.169 0.000 1.411 600 I CB -1.483 36.500 38.000 -0.028 0.000 1.082 600 I HN 0.171 nan 8.210 nan 0.000 0.420 601 E N 1.216 121.414 120.200 -0.003 0.000 2.086 601 E HA -0.256 4.095 4.350 0.001 0.000 0.200 601 E C 2.306 178.912 176.600 0.011 0.000 1.012 601 E CA 1.770 58.178 56.400 0.013 0.000 0.812 601 E CB -0.181 29.540 29.700 0.035 0.000 0.743 601 E HN 0.481 nan 8.360 nan 0.000 0.453 602 A N 0.618 123.447 122.820 0.015 0.000 1.986 602 A HA -0.223 4.097 4.320 0.001 0.000 0.220 602 A C 2.097 179.698 177.584 0.027 0.000 1.171 602 A CA 1.405 53.461 52.037 0.032 0.000 0.640 602 A CB -0.526 18.525 19.000 0.084 0.000 0.811 602 A HN 0.204 nan 8.150 nan 0.000 0.451 603 I N -1.656 118.889 120.570 -0.041 0.000 2.429 603 I HA -0.159 4.011 4.170 0.001 0.000 0.247 603 I C 2.635 178.825 176.117 0.121 0.000 1.099 603 I CA 1.274 62.612 61.300 0.062 0.000 1.422 603 I CB -0.348 37.597 38.000 -0.091 0.000 1.112 603 I HN 0.412 nan 8.210 nan 0.000 0.430 604 Q N 1.760 121.593 119.800 0.054 0.000 2.112 604 Q HA -0.256 4.085 4.340 0.001 0.000 0.206 604 Q C 2.118 178.176 176.000 0.097 0.000 0.987 604 Q CA 1.922 57.761 55.803 0.060 0.000 0.858 604 Q CB -0.245 28.495 28.738 0.004 0.000 0.905 604 Q HN 0.244 nan 8.270 nan 0.000 0.420 605 R N -0.678 119.873 120.500 0.084 0.000 2.105 605 R HA -0.024 4.317 4.340 0.001 0.000 0.239 605 R C 1.958 178.344 176.300 0.143 0.000 1.135 605 R CA 1.430 57.596 56.100 0.111 0.000 0.967 605 R CB -0.407 29.935 30.300 0.071 0.000 0.861 605 R HN 0.371 nan 8.270 nan 0.000 0.442 606 A N -0.810 122.091 122.820 0.135 0.000 2.251 606 A HA 0.311 4.631 4.320 0.001 0.000 0.209 606 A C 1.375 179.117 177.584 0.264 0.000 1.187 606 A CA 0.843 52.963 52.037 0.138 0.000 0.823 606 A CB 0.237 19.215 19.000 -0.036 0.000 0.846 606 A HN 0.330 nan 8.150 nan 0.000 0.486 607 A N -2.208 120.744 122.820 0.220 0.000 2.600 607 A HA 0.353 4.674 4.320 0.001 0.000 0.252 607 A C 1.329 178.993 177.584 0.133 0.000 1.200 607 A CA 0.545 52.677 52.037 0.159 0.000 0.981 607 A CB -0.319 18.785 19.000 0.173 0.000 1.207 607 A HN 0.462 nan 8.150 nan 0.000 0.577 608 H N 1.324 120.415 119.070 0.035 0.000 2.384 608 H HA -0.055 4.502 4.556 0.001 0.000 0.300 608 H C 2.386 177.708 175.328 -0.010 0.000 1.057 608 H CA 2.193 58.245 56.048 0.006 0.000 1.370 608 H CB -0.036 29.736 29.762 0.017 0.000 1.417 608 H HN 0.443 nan 8.280 nan 0.000 0.527 609 S N 0.672 116.375 115.700 0.005 0.000 2.387 609 S HA -0.155 4.315 4.470 0.001 0.000 0.230 609 S C 1.886 176.410 174.600 -0.126 0.000 1.035 609 S CA 1.400 59.555 58.200 -0.075 0.000 1.014 609 S CB -0.585 62.640 63.200 0.043 0.000 0.836 609 S HN 0.540 nan 8.310 nan 0.000 0.466 610 I N 0.869 121.357 120.570 -0.136 0.000 3.884 610 I HA 0.184 4.355 4.170 0.001 0.000 0.330 610 I C -0.376 175.647 176.117 -0.158 0.000 1.451 610 I CA 0.454 61.630 61.300 -0.207 0.000 1.165 610 I CB -1.331 36.426 38.000 -0.404 0.000 1.097 610 I HN 0.074 nan 8.210 nan 0.000 0.404 611 D N 2.060 122.380 120.400 -0.133 0.000 2.706 611 D HA -0.239 4.402 4.640 0.001 0.000 0.230 611 D C -0.251 175.997 176.300 -0.087 0.000 1.184 611 D CA 0.638 54.575 54.000 -0.106 0.000 0.628 611 D CB -0.927 39.800 40.800 -0.122 0.000 1.019 611 D HN 0.374 nan 8.370 nan 0.000 0.415 612 L N 1.478 122.663 121.223 -0.063 0.000 2.287 612 L HA 0.432 4.773 4.340 0.001 0.000 0.280 612 L C -2.064 174.805 176.870 -0.001 0.000 1.055 612 L CA -1.664 53.148 54.840 -0.047 0.000 0.863 612 L CB 0.970 42.989 42.059 -0.067 0.000 1.245 612 L HN -0.170 nan 8.230 nan 0.000 0.432 613 P HA -0.026 nan 4.420 nan 0.000 0.266 613 P C -1.018 176.364 177.300 0.136 0.000 1.186 613 P CA 0.019 63.126 63.100 0.012 0.000 0.767 613 P CB 0.590 32.243 31.700 -0.079 0.000 0.820 614 L N 3.671 124.991 121.223 0.162 0.000 2.356 614 L HA 0.480 4.821 4.340 0.001 0.000 0.277 614 L C -0.068 176.865 176.870 0.105 0.000 0.996 614 L CA -0.218 54.697 54.840 0.123 0.000 0.822 614 L CB 1.344 43.451 42.059 0.080 0.000 1.256 614 L HN 0.277 nan 8.230 nan 0.000 0.413 615 I N 2.915 123.529 120.570 0.074 0.000 2.465 615 I HA 0.660 4.830 4.170 0.001 0.000 0.291 615 I C -0.191 175.938 176.117 0.021 0.000 1.014 615 I CA -0.618 60.672 61.300 -0.017 0.000 1.093 615 I CB 2.064 39.982 38.000 -0.137 0.000 1.267 615 I HN 0.680 nan 8.210 nan 0.000 0.431 616 A N 5.896 128.709 122.820 -0.012 0.000 2.274 616 A HA 0.555 4.876 4.320 0.001 0.000 0.309 616 A C -0.311 177.288 177.584 0.026 0.000 1.226 616 A CA -0.435 51.623 52.037 0.034 0.000 0.853 616 A CB 0.425 19.449 19.000 0.041 0.000 1.146 616 A HN 0.744 nan 8.150 nan 0.000 0.518 617 E N 0.676 120.916 120.200 0.068 0.000 2.283 617 E HA 0.467 4.818 4.350 0.001 0.000 0.267 617 E C -0.179 176.468 176.600 0.077 0.000 1.045 617 E CA -0.752 55.688 56.400 0.067 0.000 0.884 617 E CB 0.662 30.409 29.700 0.079 0.000 1.106 617 E HN 0.639 nan 8.360 nan 0.000 0.408 618 R N -0.488 120.061 120.500 0.082 0.000 3.651 618 R HA -0.155 4.186 4.340 0.001 0.000 0.292 618 R C -0.786 175.570 176.300 0.093 0.000 1.161 618 R CA -0.019 56.126 56.100 0.076 0.000 0.787 618 R CB -2.010 28.313 30.300 0.039 0.000 1.249 618 R HN 0.239 nan 8.270 nan 0.000 0.476 619 V N 1.310 121.313 119.914 0.149 0.000 2.446 619 V HA -0.028 4.092 4.120 0.001 0.000 0.276 619 V C 1.473 177.650 176.094 0.140 0.000 1.030 619 V CA 0.945 63.358 62.300 0.187 0.000 1.033 619 V CB 1.170 33.208 31.823 0.358 0.000 0.993 619 V HN 0.300 nan 8.190 nan 0.000 0.477 620 E N 1.856 122.084 120.200 0.046 0.000 2.441 620 E HA 0.116 4.466 4.350 0.001 0.000 0.212 620 E C 0.465 177.023 176.600 -0.070 0.000 0.840 620 E CA 0.062 56.449 56.400 -0.022 0.000 1.143 620 E CB 0.875 30.572 29.700 -0.005 0.000 1.153 620 E HN 0.626 nan 8.360 nan 0.000 0.539 621 T N 1.041 115.574 114.554 -0.034 0.000 2.867 621 T HA 0.100 4.451 4.350 0.001 0.000 0.282 621 T C 0.753 175.429 174.700 -0.040 0.000 1.000 621 T CA -0.455 61.623 62.100 -0.037 0.000 1.042 621 T CB 1.681 70.545 68.868 -0.007 0.000 0.973 621 T HN -0.080 nan 8.240 nan 0.000 0.465 622 E N 2.375 122.546 120.200 -0.048 0.000 2.153 622 E HA -0.090 4.260 4.350 0.001 0.000 0.194 622 E C 2.115 178.714 176.600 -0.001 0.000 0.988 622 E CA 1.216 57.595 56.400 -0.036 0.000 0.811 622 E CB -0.399 29.280 29.700 -0.036 0.000 0.746 622 E HN 0.858 nan 8.360 nan 0.000 0.466 623 G N 1.209 110.011 108.800 0.004 0.000 2.484 623 G HA2 -0.290 3.671 3.960 0.001 0.000 0.215 623 G HA3 -0.290 3.671 3.960 0.001 0.000 0.215 623 G C 1.425 176.344 174.900 0.032 0.000 1.219 623 G CA 0.807 45.917 45.100 0.017 0.000 0.791 623 G HN 0.279 nan 8.290 nan 0.000 0.550 624 E N -0.260 119.963 120.200 0.038 0.000 2.208 624 E HA -0.193 4.158 4.350 0.001 0.000 0.202 624 E C 2.293 178.935 176.600 0.070 0.000 1.014 624 E CA 0.968 57.402 56.400 0.056 0.000 0.819 624 E CB -0.176 29.561 29.700 0.063 0.000 0.735 624 E HN 0.353 nan 8.360 nan 0.000 0.469 625 L N 0.464 121.733 121.223 0.076 0.000 2.005 625 L HA -0.118 4.223 4.340 0.001 0.000 0.207 625 L C 1.988 178.898 176.870 0.067 0.000 1.072 625 L CA 1.915 56.815 54.840 0.101 0.000 0.744 625 L CB -0.676 41.461 42.059 0.130 0.000 0.895 625 L HN -0.081 nan 8.230 nan 0.000 0.433 626 S N -0.798 114.932 115.700 0.049 0.000 2.419 626 S HA -0.141 4.330 4.470 0.001 0.000 0.235 626 S C 1.925 176.546 174.600 0.035 0.000 1.019 626 S CA 1.332 59.554 58.200 0.037 0.000 0.982 626 S CB -0.575 62.642 63.200 0.028 0.000 0.789 626 S HN 0.363 nan 8.310 nan 0.000 0.490 627 V N 1.783 121.722 119.914 0.040 0.000 2.970 627 V HA -0.001 4.120 4.120 0.001 0.000 0.260 627 V C 1.781 177.899 176.094 0.039 0.000 1.100 627 V CA 0.973 63.297 62.300 0.040 0.000 1.122 627 V CB -0.633 31.219 31.823 0.049 0.000 0.721 627 V HN 0.516 nan 8.190 nan 0.000 0.483 628 I N -0.546 120.048 120.570 0.040 0.000 2.731 628 I HA -0.007 4.163 4.170 0.001 0.000 0.260 628 I C 2.538 178.665 176.117 0.017 0.000 1.138 628 I CA 0.710 62.029 61.300 0.031 0.000 1.461 628 I CB -0.551 37.469 38.000 0.034 0.000 1.128 628 I HN 0.224 nan 8.210 nan 0.000 0.438 629 R N 1.293 121.805 120.500 0.020 0.000 2.092 629 R HA -0.130 4.210 4.340 0.001 0.000 0.231 629 R C 2.070 178.376 176.300 0.009 0.000 1.119 629 R CA 1.183 57.291 56.100 0.012 0.000 0.970 629 R CB -0.151 30.160 30.300 0.018 0.000 0.864 629 R HN 0.407 nan 8.270 nan 0.000 0.440 630 E N 0.152 120.361 120.200 0.015 0.000 2.153 630 E HA -0.153 4.198 4.350 0.001 0.000 0.194 630 E C 1.756 178.359 176.600 0.005 0.000 0.988 630 E CA 1.070 57.477 56.400 0.012 0.000 0.811 630 E CB 0.054 29.765 29.700 0.019 0.000 0.746 630 E HN 0.322 nan 8.360 nan 0.000 0.466 631 M N -0.875 118.728 119.600 0.006 0.000 2.541 631 M HA 0.079 4.560 4.480 0.001 0.000 0.252 631 M C 0.930 177.213 176.300 -0.028 0.000 1.125 631 M CA 0.467 55.764 55.300 -0.004 0.000 1.091 631 M CB 0.671 33.276 32.600 0.009 0.000 1.420 631 M HN 0.208 nan 8.290 nan 0.000 0.486 632 G N 2.313 111.099 108.800 -0.024 0.000 2.305 632 G HA2 -0.236 3.724 3.960 0.001 0.000 0.287 632 G HA3 -0.236 3.724 3.960 0.001 0.000 0.287 632 G C 0.013 174.892 174.900 -0.035 0.000 1.036 632 G CA -0.126 44.951 45.100 -0.039 0.000 0.887 632 G HN 0.398 nan 8.290 nan 0.000 0.505 633 L N -1.480 119.740 121.223 -0.005 0.000 2.476 633 L HA 0.190 4.531 4.340 0.001 0.000 0.264 633 L C 1.882 178.799 176.870 0.078 0.000 1.224 633 L CA -0.733 54.123 54.840 0.027 0.000 0.821 633 L CB 0.133 42.205 42.059 0.022 0.000 1.101 633 L HN 0.170 nan 8.230 nan 0.000 0.488 634 Y N 1.129 121.398 120.300 -0.051 0.000 2.133 634 Y HA 0.043 4.594 4.550 0.001 0.000 0.287 634 Y C 0.986 176.826 175.900 -0.099 0.000 1.134 634 Y CA 0.787 58.850 58.100 -0.061 0.000 1.133 634 Y CB -0.036 38.397 38.460 -0.046 0.000 0.987 634 Y HN 0.543 nan 8.280 nan 0.000 0.502 635 G N -1.507 107.163 108.800 -0.216 0.000 2.649 635 G HA2 0.531 4.491 3.960 0.001 0.000 0.290 635 G HA3 0.531 4.491 3.960 0.001 0.000 0.290 635 G C -2.048 172.667 174.900 -0.308 0.000 1.426 635 G CA -0.188 44.677 45.100 -0.393 0.000 0.794 635 G HN 0.366 nan 8.290 nan 0.000 0.483 636 V N -2.140 117.515 119.914 -0.432 0.000 2.876 636 V HA 0.878 4.999 4.120 0.001 0.000 0.312 636 V C -0.663 175.076 176.094 -0.592 0.000 1.085 636 V CA -0.947 61.076 62.300 -0.461 0.000 0.945 636 V CB 1.408 32.907 31.823 -0.541 0.000 1.017 636 V HN 1.048 nan 8.190 nan 0.000 0.428 637 Q N 1.161 120.756 119.800 -0.342 0.000 2.389 637 Q HA 0.790 5.131 4.340 0.001 0.000 0.277 637 Q C -0.417 175.634 176.000 0.085 0.000 1.082 637 Q CA 0.242 55.943 55.803 -0.170 0.000 0.810 637 Q CB 2.398 31.085 28.738 -0.085 0.000 1.374 637 Q HN 1.870 nan 8.270 nan 0.000 0.422 638 G N 1.359 110.305 108.800 0.243 0.000 2.369 638 G HA2 -0.107 3.854 3.960 0.001 0.000 0.293 638 G HA3 -0.107 3.854 3.960 0.001 0.000 0.293 638 G C -0.515 174.537 174.900 0.253 0.000 1.301 638 G CA -0.095 45.158 45.100 0.254 0.000 0.913 638 G HN 0.554 nan 8.290 nan 0.000 0.540 639 Q N -0.777 119.096 119.800 0.120 0.000 2.297 639 Q HA -0.028 4.312 4.340 0.001 0.000 0.208 639 Q C 2.390 178.359 176.000 -0.052 0.000 0.981 639 Q CA 2.383 58.212 55.803 0.044 0.000 0.876 639 Q CB -0.244 28.501 28.738 0.011 0.000 0.921 639 Q HN 0.721 nan 8.270 nan 0.000 0.446 640 L N -0.881 120.230 121.223 -0.187 0.000 2.376 640 L HA 0.059 4.400 4.340 0.001 0.000 0.219 640 L C 0.500 176.859 176.870 -0.850 0.000 1.133 640 L CA 1.347 55.803 54.840 -0.639 0.000 0.816 640 L CB -0.019 41.408 42.059 -1.053 0.000 0.933 640 L HN 0.272 nan 8.230 nan 0.000 0.449 641 F N -0.691 119.263 119.950 0.008 0.000 2.775 641 F HA 0.636 5.164 4.527 0.001 0.000 0.313 641 F C 0.805 176.626 175.800 0.035 0.000 1.121 641 F CA -0.119 57.888 58.000 0.012 0.000 1.206 641 F CB 0.204 39.199 39.000 -0.009 0.000 1.052 641 F HN -0.084 nan 8.300 nan 0.000 0.524 642 G N 1.147 110.033 108.800 0.144 0.000 3.326 642 G HA2 -0.076 3.885 3.960 0.001 0.000 0.681 642 G HA3 -0.076 3.885 3.960 0.001 0.000 0.681 642 G C -0.624 174.353 174.900 0.129 0.000 1.255 642 G CA -1.288 43.882 45.100 0.117 0.000 0.976 642 G HN 0.155 nan 8.290 nan 0.000 0.563 643 E N 2.285 122.539 120.200 0.091 0.000 2.428 643 E HA 0.260 4.611 4.350 0.001 0.000 0.257 643 E C -2.122 174.569 176.600 0.152 0.000 1.197 643 E CA -1.086 55.380 56.400 0.109 0.000 0.974 643 E CB 0.545 30.297 29.700 0.086 0.000 0.976 643 E HN 0.319 nan 8.360 nan 0.000 0.463 644 P HA 0.086 nan 4.420 nan 0.000 0.280 644 P C -0.790 176.708 177.300 0.330 0.000 1.244 644 P CA 0.088 63.363 63.100 0.291 0.000 0.784 644 P CB 0.656 32.556 31.700 0.335 0.000 0.913 645 K N 2.844 123.334 120.400 0.151 0.000 2.305 645 K HA 0.652 4.973 4.320 0.001 0.000 0.268 645 K C -2.772 173.557 176.600 -0.452 0.000 1.034 645 K CA -1.699 54.455 56.287 -0.220 0.000 0.879 645 K CB 0.888 33.273 32.500 -0.192 0.000 1.506 645 K HN -0.069 nan 8.250 nan 0.000 0.425 646 P HA 0.177 nan 4.420 nan 0.000 0.274 646 P C -0.843 176.334 177.300 -0.205 0.000 1.352 646 P CA -0.322 62.572 63.100 -0.342 0.000 0.947 646 P CB 0.148 31.583 31.700 -0.442 0.000 1.437 647 W N 2.012 123.078 121.300 -0.391 0.000 2.687 647 W HA 0.057 4.717 4.660 0.001 0.000 0.330 647 W C 1.219 177.229 176.519 -0.848 0.000 1.099 647 W CA 0.783 57.828 57.345 -0.501 0.000 1.337 647 W CB -0.308 28.873 29.460 -0.465 0.000 1.164 647 W HN -0.049 nan 8.180 nan 0.000 0.568 648 G N 0.000 108.534 108.800 -0.444 0.000 5.446 648 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 648 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 648 G CA 0.000 44.734 45.100 -0.611 0.000 0.502 648 G HN 0.000 nan 8.290 nan 0.000 0.925