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 1k93_1_A DATA FIRST_RESID 292 DATA SEQUENCE RIDVLKGEKA LKASGLVPEH ADAFKKIARE LNTYILFRPV NKLATNLIKS DATA SEQUENCE GVATKGLNVH GKSSDWGPVA GYIPFDQDLS KKHGQQLAVE KGNLENKKSI DATA SEQUENCE TEHEGEIGKI PLKLDHLRIE ELKENGIILK GKKEIDNGKK YYLLESNNQV DATA SEQUENCE YEFRISDENN EVQYKTKEGK ITVLGEKFNW RNIEVMAKNV EGVLKPLTAD DATA SEQUENCE YDLFALAPSL TEIKKQIPQK EWDKVVNTPN SLEKQKGVTN LLIKYGIERK DATA SEQUENCE PDSTKGTLSN WQKQMLDRLN EAVKYTGYTG GDVVNHGTEQ DNEEFPEKDN DATA SEQUENCE EIFIINPEGE FILTKNWEMT GRFIEKNITG KDYLYYFNRS YNKIAPGNKA DATA SEQUENCE YIEWTDPITK AKINTIPTSA EFIKNLSSIR RSSXXXXXXX XXXXXXXXXX DATA SEQUENCE XSVKKIAGYL SDYYNSANHI FSQEKKRKIS IFRGIQAYNE IENVLKSKQI DATA SEQUENCE APEYKNYFQY LKERITNQVQ LLLTHQKXXX XFKLLYKQLN FTENETDNFE DATA SEQUENCE VFQKIID 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 292 R HA 0.000 nan 4.340 nan 0.000 0.208 292 R C 0.000 176.299 176.300 -0.002 0.000 0.893 292 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 292 R CB 0.000 30.301 30.300 0.001 0.000 0.687 293 I N -0.622 119.955 120.570 0.011 0.000 2.571 293 I HA 0.492 4.663 4.170 0.001 0.000 0.289 293 I C -0.920 175.214 176.117 0.029 0.000 1.115 293 I CA -0.908 60.401 61.300 0.015 0.000 1.045 293 I CB 2.412 40.422 38.000 0.016 0.000 1.238 293 I HN 0.623 nan 8.210 nan 0.000 0.424 294 D N 5.221 125.633 120.400 0.020 0.000 2.483 294 D HA 0.172 4.813 4.640 0.001 0.000 0.261 294 D C -0.584 175.732 176.300 0.026 0.000 1.318 294 D CA 0.585 54.598 54.000 0.022 0.000 1.201 294 D CB 0.386 41.194 40.800 0.015 0.000 1.127 294 D HN 0.514 nan 8.370 nan 0.000 0.519 295 V N 4.543 124.479 119.914 0.037 0.000 2.769 295 V HA 0.432 4.553 4.120 0.001 0.000 0.312 295 V C -0.338 175.780 176.094 0.039 0.000 1.061 295 V CA -0.985 61.335 62.300 0.033 0.000 0.931 295 V CB 1.713 33.561 31.823 0.042 0.000 1.010 295 V HN 0.322 nan 8.190 nan 0.000 0.433 296 L N 5.101 126.347 121.223 0.038 0.000 2.464 296 L HA 0.514 4.855 4.340 0.001 0.000 0.264 296 L C 0.235 177.151 176.870 0.077 0.000 1.199 296 L CA -0.240 54.634 54.840 0.057 0.000 0.818 296 L CB 0.686 42.783 42.059 0.065 0.000 1.102 296 L HN 0.664 nan 8.230 nan 0.000 0.473 297 K N 0.012 120.468 120.400 0.093 0.000 2.509 297 K HA 0.486 4.807 4.320 0.001 0.000 0.266 297 K C 0.009 176.697 176.600 0.148 0.000 0.987 297 K CA -0.303 56.053 56.287 0.115 0.000 0.868 297 K CB 1.988 34.536 32.500 0.080 0.000 1.421 297 K HN 0.748 nan 8.250 nan 0.000 0.444 298 G N 1.586 110.496 108.800 0.184 0.000 2.549 298 G HA2 -0.396 3.564 3.960 0.001 0.000 0.338 298 G HA3 -0.396 3.564 3.960 0.001 0.000 0.338 298 G C 0.908 175.957 174.900 0.248 0.000 1.342 298 G CA 1.058 46.276 45.100 0.196 0.000 0.935 298 G HN 0.812 nan 8.290 nan 0.000 0.534 299 E N -0.276 120.032 120.200 0.179 0.000 2.332 299 E HA -0.292 4.058 4.350 0.001 0.000 0.243 299 E C 2.475 179.144 176.600 0.115 0.000 1.088 299 E CA 2.712 59.197 56.400 0.141 0.000 1.048 299 E CB -0.413 29.333 29.700 0.077 0.000 0.911 299 E HN 0.655 nan 8.360 nan 0.000 0.487 300 K N -0.744 119.711 120.400 0.092 0.000 2.044 300 K HA -0.175 4.145 4.320 0.001 0.000 0.210 300 K C 2.177 178.825 176.600 0.080 0.000 1.049 300 K CA 1.453 57.780 56.287 0.067 0.000 0.927 300 K CB -0.335 32.199 32.500 0.056 0.000 0.713 300 K HN 0.266 nan 8.250 nan 0.000 0.443 301 A N 1.517 124.423 122.820 0.144 0.000 1.877 301 A HA -0.172 4.148 4.320 0.001 0.000 0.216 301 A C 2.143 179.822 177.584 0.159 0.000 1.186 301 A CA 1.316 53.471 52.037 0.198 0.000 0.620 301 A CB -0.652 18.524 19.000 0.294 0.000 0.822 301 A HN 0.270 nan 8.150 nan 0.000 0.443 302 L N -0.095 121.241 121.223 0.189 0.000 2.043 302 L HA -0.194 4.146 4.340 0.001 0.000 0.212 302 L C 2.235 178.951 176.870 -0.257 0.000 1.075 302 L CA 2.560 57.311 54.840 -0.148 0.000 0.752 302 L CB -0.570 41.527 42.059 0.063 0.000 0.891 302 L HN 0.405 nan 8.230 nan 0.000 0.432 303 K N -0.884 119.459 120.400 -0.095 0.000 2.044 303 K HA -0.184 4.136 4.320 0.001 0.000 0.210 303 K C 1.941 178.464 176.600 -0.128 0.000 1.049 303 K CA 1.557 57.785 56.287 -0.097 0.000 0.927 303 K CB -0.314 32.164 32.500 -0.036 0.000 0.713 303 K HN 0.528 nan 8.250 nan 0.000 0.443 304 A N 0.510 123.269 122.820 -0.103 0.000 2.119 304 A HA -0.098 4.223 4.320 0.001 0.000 0.217 304 A C 1.994 179.482 177.584 -0.161 0.000 1.153 304 A CA 1.639 53.621 52.037 -0.092 0.000 0.692 304 A CB -0.392 18.590 19.000 -0.030 0.000 0.799 304 A HN 0.466 nan 8.150 nan 0.000 0.458 305 S N -1.505 113.996 115.700 -0.331 0.000 2.387 305 S HA 0.255 4.725 4.470 0.001 0.000 0.226 305 S C 1.733 176.092 174.600 -0.402 0.000 1.026 305 S CA 1.560 59.449 58.200 -0.517 0.000 0.972 305 S CB -0.477 61.854 63.200 -1.448 0.000 0.814 305 S HN 1.851 nan 8.310 nan 0.000 0.477 306 G N 0.249 108.837 108.800 -0.353 0.000 2.217 306 G HA2 -0.196 3.764 3.960 0.001 0.000 0.246 306 G HA3 -0.196 3.764 3.960 0.001 0.000 0.246 306 G C -0.114 174.636 174.900 -0.249 0.000 0.990 306 G CA 0.174 45.132 45.100 -0.236 0.000 0.627 306 G HN 0.526 nan 8.290 nan 0.000 0.522 307 L N 1.190 122.144 121.223 -0.448 0.000 2.452 307 L HA 0.523 4.863 4.340 0.001 0.000 0.267 307 L C 1.283 177.953 176.870 -0.333 0.000 1.188 307 L CA -0.314 54.252 54.840 -0.455 0.000 0.821 307 L CB 0.957 42.497 42.059 -0.865 0.000 1.102 307 L HN 0.011 nan 8.230 nan 0.000 0.470 308 V N 4.050 123.811 119.914 -0.254 0.000 2.572 308 V HA 0.035 4.156 4.120 0.001 0.000 0.291 308 V C -1.334 174.558 176.094 -0.335 0.000 1.039 308 V CA -0.773 61.304 62.300 -0.372 0.000 1.055 308 V CB 0.786 32.138 31.823 -0.786 0.000 0.969 308 V HN 0.740 nan 8.190 nan 0.000 0.482 309 P HA -0.178 nan 4.420 nan 0.000 0.215 309 P C 1.427 178.678 177.300 -0.083 0.000 1.163 309 P CA 1.272 64.296 63.100 -0.127 0.000 0.894 309 P CB 0.276 31.930 31.700 -0.077 0.000 0.791 310 E N -1.530 118.613 120.200 -0.095 0.000 2.070 310 E HA -0.241 4.110 4.350 0.001 0.000 0.197 310 E C 2.011 178.622 176.600 0.018 0.000 1.004 310 E CA 1.432 57.828 56.400 -0.007 0.000 0.805 310 E CB -0.989 28.727 29.700 0.027 0.000 0.744 310 E HN 0.542 nan 8.360 nan 0.000 0.451 311 H N -0.478 118.444 119.070 -0.248 0.000 2.319 311 H HA -0.078 4.478 4.556 0.001 0.000 0.299 311 H C 2.089 176.880 175.328 -0.895 0.000 1.092 311 H CA 0.603 56.318 56.048 -0.554 0.000 1.302 311 H CB -0.082 29.385 29.762 -0.492 0.000 1.373 311 H HN 0.246 nan 8.280 nan 0.000 0.497 312 A N 1.113 123.685 122.820 -0.414 0.000 1.972 312 A HA -0.191 4.130 4.320 0.001 0.000 0.219 312 A C 1.786 179.489 177.584 0.198 0.000 1.169 312 A CA 1.861 53.780 52.037 -0.196 0.000 0.635 312 A CB -0.194 18.675 19.000 -0.218 0.000 0.810 312 A HN 0.338 nan 8.150 nan 0.000 0.446 313 D N 0.069 120.571 120.400 0.168 0.000 2.117 313 D HA -0.015 4.625 4.640 0.001 0.000 0.198 313 D C 2.233 178.640 176.300 0.179 0.000 0.982 313 D CA 1.460 55.599 54.000 0.230 0.000 0.828 313 D CB -0.442 40.441 40.800 0.139 0.000 0.967 313 D HN 0.410 nan 8.370 nan 0.000 0.464 314 A N 0.121 122.990 122.820 0.081 0.000 2.019 314 A HA -0.125 4.196 4.320 0.001 0.000 0.219 314 A C 2.079 179.860 177.584 0.329 0.000 1.164 314 A CA 0.831 52.951 52.037 0.139 0.000 0.644 314 A CB -0.977 18.057 19.000 0.058 0.000 0.805 314 A HN 0.260 nan 8.150 nan 0.000 0.449 315 F N -0.562 119.502 119.950 0.190 0.000 2.367 315 F HA -0.059 4.469 4.527 0.001 0.000 0.298 315 F C 2.344 178.267 175.800 0.205 0.000 1.094 315 F CA 0.711 58.832 58.000 0.202 0.000 1.409 315 F CB -0.031 39.116 39.000 0.245 0.000 1.064 315 F HN 0.159 nan 8.300 nan 0.000 0.528 316 K N 0.899 121.552 120.400 0.422 0.000 2.103 316 K HA -0.227 4.094 4.320 0.001 0.000 0.207 316 K C 1.930 178.634 176.600 0.174 0.000 1.048 316 K CA 1.319 57.774 56.287 0.279 0.000 0.930 316 K CB -0.074 32.535 32.500 0.180 0.000 0.716 316 K HN 0.072 nan 8.250 nan 0.000 0.444 317 K N 0.839 121.344 120.400 0.175 0.000 1.969 317 K HA -0.166 4.154 4.320 0.001 0.000 0.216 317 K C 1.856 178.521 176.600 0.108 0.000 1.048 317 K CA 1.622 57.981 56.287 0.121 0.000 0.948 317 K CB -0.173 32.402 32.500 0.125 0.000 0.726 317 K HN -0.069 nan 8.250 nan 0.000 0.442 318 I N 1.334 121.988 120.570 0.141 0.000 2.315 318 I HA -0.291 3.879 4.170 0.001 0.000 0.251 318 I C 2.181 178.342 176.117 0.074 0.000 1.125 318 I CA 1.585 62.947 61.300 0.102 0.000 1.392 318 I CB -0.741 37.325 38.000 0.111 0.000 1.065 318 I HN 0.309 nan 8.210 nan 0.000 0.424 319 A N 0.137 123.009 122.820 0.087 0.000 1.845 319 A HA -0.241 4.080 4.320 0.001 0.000 0.215 319 A C 2.518 180.111 177.584 0.016 0.000 1.195 319 A CA 1.849 53.912 52.037 0.043 0.000 0.616 319 A CB -0.654 18.377 19.000 0.050 0.000 0.832 319 A HN 0.298 nan 8.150 nan 0.000 0.443 320 R N -0.769 119.744 120.500 0.021 0.000 2.094 320 R HA -0.198 4.143 4.340 0.001 0.000 0.239 320 R C 2.406 178.710 176.300 0.007 0.000 1.137 320 R CA 1.904 58.006 56.100 0.005 0.000 0.943 320 R CB -0.367 29.940 30.300 0.011 0.000 0.850 320 R HN 0.796 nan 8.270 nan 0.000 0.433 321 E N 0.549 120.760 120.200 0.018 0.000 2.021 321 E HA -0.216 4.134 4.350 0.001 0.000 0.200 321 E C 1.669 178.273 176.600 0.006 0.000 1.015 321 E CA 1.536 57.943 56.400 0.012 0.000 0.824 321 E CB -0.084 29.628 29.700 0.020 0.000 0.762 321 E HN 0.305 nan 8.360 nan 0.000 0.454 322 L N 0.696 121.928 121.223 0.016 0.000 2.610 322 L HA 0.052 4.392 4.340 0.001 0.000 0.232 322 L C 0.715 177.590 176.870 0.008 0.000 1.149 322 L CA 0.121 54.967 54.840 0.011 0.000 0.872 322 L CB -0.971 41.106 42.059 0.030 0.000 0.992 322 L HN 0.336 nan 8.230 nan 0.000 0.447 323 N N 1.116 119.824 118.700 0.014 0.000 2.629 323 N HA -0.206 4.534 4.740 0.001 0.000 0.278 323 N C -0.330 175.247 175.510 0.112 0.000 1.102 323 N CA 0.562 53.635 53.050 0.038 0.000 0.759 323 N CB -0.179 38.319 38.487 0.019 0.000 0.911 323 N HN 0.306 nan 8.380 nan 0.000 0.553 324 T N 1.725 116.322 114.554 0.072 0.000 3.041 324 T HA 0.332 4.683 4.350 0.001 0.000 0.321 324 T C -1.197 173.528 174.700 0.041 0.000 1.184 324 T CA -0.421 61.753 62.100 0.124 0.000 1.050 324 T CB 0.589 69.516 68.868 0.098 0.000 1.159 324 T HN 0.237 nan 8.240 nan 0.000 0.469 325 Y N 3.850 124.138 120.300 -0.019 0.000 2.377 325 Y HA 0.499 5.050 4.550 0.001 0.000 0.330 325 Y C 0.693 176.578 175.900 -0.024 0.000 1.108 325 Y CA -0.309 57.765 58.100 -0.043 0.000 1.308 325 Y CB 0.576 38.987 38.460 -0.082 0.000 1.216 325 Y HN 0.442 nan 8.280 nan 0.000 0.518 326 I N 5.904 126.522 120.570 0.080 0.000 2.355 326 I HA 0.240 4.411 4.170 0.001 0.000 0.288 326 I C -1.284 174.731 176.117 -0.170 0.000 0.999 326 I CA -0.718 60.513 61.300 -0.114 0.000 1.163 326 I CB 0.898 38.773 38.000 -0.209 0.000 1.316 326 I HN 0.310 nan 8.210 nan 0.000 0.454 327 L N 7.264 128.386 121.223 -0.168 0.000 2.305 327 L HA 0.516 4.857 4.340 0.001 0.000 0.284 327 L C -0.497 176.325 176.870 -0.081 0.000 1.013 327 L CA -0.009 54.815 54.840 -0.026 0.000 0.819 327 L CB 0.719 42.922 42.059 0.240 0.000 1.227 327 L HN 0.295 nan 8.230 nan 0.000 0.417 328 F N 1.573 121.638 119.950 0.192 0.000 2.450 328 F HA 0.632 5.160 4.527 0.001 0.000 0.328 328 F C 0.876 176.795 175.800 0.197 0.000 1.068 328 F CA -0.752 57.370 58.000 0.203 0.000 1.007 328 F CB 1.056 40.164 39.000 0.180 0.000 1.251 328 F HN 0.299 nan 8.300 nan 0.000 0.492 329 R N 0.858 121.617 120.500 0.431 0.000 2.573 329 R HA 0.390 4.731 4.340 0.001 0.000 0.272 329 R C -2.530 173.892 176.300 0.203 0.000 1.009 329 R CA -1.789 54.480 56.100 0.281 0.000 1.059 329 R CB 0.898 31.373 30.300 0.292 0.000 1.112 329 R HN 0.243 nan 8.270 nan 0.000 0.517 330 P HA -0.092 nan 4.420 nan 0.000 0.264 330 P C -0.886 176.447 177.300 0.056 0.000 1.173 330 P CA 0.328 63.464 63.100 0.060 0.000 0.761 330 P CB 0.424 32.153 31.700 0.048 0.000 0.794 331 V N 3.563 123.478 119.914 0.002 0.000 2.409 331 V HA 0.209 4.330 4.120 0.001 0.000 0.291 331 V C 0.431 176.514 176.094 -0.018 0.000 1.020 331 V CA -0.942 61.367 62.300 0.014 0.000 0.848 331 V CB 1.360 33.192 31.823 0.015 0.000 0.990 331 V HN 0.547 nan 8.190 nan 0.000 0.430 332 N N 4.148 122.842 118.700 -0.010 0.000 2.223 332 N HA -0.083 4.657 4.740 0.001 0.000 0.271 332 N C 1.073 176.549 175.510 -0.056 0.000 1.315 332 N CA 0.683 53.715 53.050 -0.030 0.000 0.835 332 N CB 0.515 38.979 38.487 -0.039 0.000 1.066 332 N HN 0.643 nan 8.380 nan 0.000 0.486 333 K N 3.205 123.572 120.400 -0.055 0.000 2.365 333 K HA -0.016 4.304 4.320 0.001 0.000 0.199 333 K C 1.199 177.750 176.600 -0.081 0.000 1.045 333 K CA 0.710 56.954 56.287 -0.072 0.000 0.962 333 K CB 0.183 32.647 32.500 -0.061 0.000 0.759 333 K HN 0.544 nan 8.250 nan 0.000 0.469 334 L N -0.259 120.915 121.223 -0.082 0.000 2.592 334 L HA 0.077 4.417 4.340 0.001 0.000 0.227 334 L C 1.896 178.675 176.870 -0.152 0.000 1.127 334 L CA -0.077 54.699 54.840 -0.106 0.000 0.884 334 L CB 0.133 42.133 42.059 -0.098 0.000 1.065 334 L HN 0.107 nan 8.230 nan 0.000 0.457 335 A N -0.801 121.934 122.820 -0.142 0.000 2.044 335 A HA -0.029 4.291 4.320 0.001 0.000 0.213 335 A C 2.207 179.697 177.584 -0.157 0.000 1.169 335 A CA 1.048 52.981 52.037 -0.174 0.000 0.724 335 A CB -0.378 18.538 19.000 -0.140 0.000 0.840 335 A HN 0.285 nan 8.150 nan 0.000 0.463 336 T N 1.176 115.654 114.554 -0.127 0.000 2.624 336 T HA -0.250 4.100 4.350 0.001 0.000 0.268 336 T C 1.683 176.302 174.700 -0.135 0.000 1.041 336 T CA 2.112 64.136 62.100 -0.126 0.000 1.159 336 T CB -0.640 68.151 68.868 -0.127 0.000 0.863 336 T HN 0.693 nan 8.240 nan 0.000 0.434 337 N N 0.566 119.190 118.700 -0.126 0.000 2.244 337 N HA 0.063 4.803 4.740 0.001 0.000 0.183 337 N C 1.890 177.339 175.510 -0.101 0.000 1.016 337 N CA 0.569 53.554 53.050 -0.108 0.000 0.866 337 N CB -0.240 38.190 38.487 -0.094 0.000 0.980 337 N HN 0.280 nan 8.380 nan 0.000 0.430 338 L N 0.999 122.137 121.223 -0.142 0.000 2.017 338 L HA -0.149 4.192 4.340 0.001 0.000 0.208 338 L C 2.201 179.033 176.870 -0.064 0.000 1.073 338 L CA 1.043 55.795 54.840 -0.147 0.000 0.745 338 L CB -0.424 41.449 42.059 -0.310 0.000 0.894 338 L HN 0.186 nan 8.230 nan 0.000 0.432 339 I N -0.005 120.514 120.570 -0.086 0.000 2.151 339 I HA -0.375 3.796 4.170 0.001 0.000 0.243 339 I C 2.745 178.915 176.117 0.088 0.000 1.080 339 I CA 1.572 62.850 61.300 -0.036 0.000 1.339 339 I CB -0.374 37.517 38.000 -0.181 0.000 1.039 339 I HN 0.278 nan 8.210 nan 0.000 0.409 340 K N 1.063 121.449 120.400 -0.025 0.000 2.063 340 K HA -0.210 4.111 4.320 0.001 0.000 0.208 340 K C 2.101 178.747 176.600 0.077 0.000 1.048 340 K CA 1.948 58.228 56.287 -0.010 0.000 0.928 340 K CB -0.142 32.287 32.500 -0.118 0.000 0.713 340 K HN 0.383 nan 8.250 nan 0.000 0.442 341 S N -0.621 115.100 115.700 0.035 0.000 2.595 341 S HA 0.036 4.507 4.470 0.001 0.000 0.235 341 S C 1.064 175.696 174.600 0.053 0.000 0.974 341 S CA 0.700 58.919 58.200 0.031 0.000 0.942 341 S CB -0.290 62.914 63.200 0.007 0.000 0.766 341 S HN 0.576 nan 8.310 nan 0.000 0.536 342 G N 0.048 108.932 108.800 0.140 0.000 2.149 342 G HA2 -0.215 3.745 3.960 0.001 0.000 0.235 342 G HA3 -0.215 3.745 3.960 0.001 0.000 0.235 342 G C -0.059 174.869 174.900 0.046 0.000 1.018 342 G CA -0.087 45.055 45.100 0.070 0.000 0.728 342 G HN 0.673 nan 8.290 nan 0.000 0.508 343 V N 0.787 120.778 119.914 0.128 0.000 2.715 343 V HA 0.569 4.689 4.120 0.001 0.000 0.299 343 V C 1.334 177.516 176.094 0.147 0.000 1.054 343 V CA -0.015 62.344 62.300 0.098 0.000 1.077 343 V CB 1.268 33.137 31.823 0.077 0.000 0.972 343 V HN 1.285 nan 8.190 nan 0.000 0.484 344 A N 4.109 126.989 122.820 0.099 0.000 2.511 344 A HA 0.460 4.780 4.320 0.001 0.000 0.242 344 A C 0.811 178.456 177.584 0.102 0.000 1.069 344 A CA 0.418 52.523 52.037 0.113 0.000 0.763 344 A CB -0.034 19.002 19.000 0.059 0.000 1.001 344 A HN 1.082 nan 8.150 nan 0.000 0.498 345 T N 0.184 114.796 114.554 0.097 0.000 2.814 345 T HA 0.556 4.906 4.350 0.001 0.000 0.284 345 T C 0.003 174.727 174.700 0.040 0.000 0.998 345 T CA -0.383 61.730 62.100 0.023 0.000 0.935 345 T CB 0.549 69.383 68.868 -0.056 0.000 1.167 345 T HN 0.821 nan 8.240 nan 0.000 0.545 346 K N -0.138 120.286 120.400 0.039 0.000 2.207 346 K HA 0.682 5.003 4.320 0.001 0.000 0.255 346 K C 0.237 176.896 176.600 0.099 0.000 0.941 346 K CA -1.071 55.254 56.287 0.063 0.000 0.825 346 K CB 1.646 34.184 32.500 0.063 0.000 1.119 346 K HN 0.769 nan 8.250 nan 0.000 0.430 347 G N 1.495 110.349 108.800 0.091 0.000 2.532 347 G HA2 0.218 4.178 3.960 0.001 0.000 0.291 347 G HA3 0.218 4.178 3.960 0.001 0.000 0.291 347 G C 0.583 175.552 174.900 0.114 0.000 1.349 347 G CA -1.077 44.100 45.100 0.128 0.000 1.038 347 G HN 0.621 nan 8.290 nan 0.000 0.518 348 L N -0.046 121.231 121.223 0.091 0.000 2.362 348 L HA -0.054 4.287 4.340 0.001 0.000 0.219 348 L C 2.398 179.349 176.870 0.135 0.000 1.134 348 L CA 1.202 56.097 54.840 0.092 0.000 0.807 348 L CB -0.377 41.700 42.059 0.030 0.000 0.927 348 L HN 0.776 nan 8.230 nan 0.000 0.447 349 N N -0.957 117.734 118.700 -0.013 0.000 2.571 349 N HA -0.020 4.721 4.740 0.001 0.000 0.189 349 N C -0.036 175.412 175.510 -0.104 0.000 1.154 349 N CA -0.007 52.925 53.050 -0.197 0.000 0.907 349 N CB 0.317 38.530 38.487 -0.457 0.000 0.977 349 N HN 0.025 nan 8.380 nan 0.000 0.449 350 V N 0.730 120.685 119.914 0.067 0.000 2.524 350 V HA 0.151 4.272 4.120 0.001 0.000 0.297 350 V C -0.397 175.862 176.094 0.275 0.000 1.035 350 V CA -0.705 61.663 62.300 0.114 0.000 0.867 350 V CB 1.325 33.194 31.823 0.076 0.000 1.004 350 V HN 0.301 nan 8.190 nan 0.000 0.426 351 H N 2.556 121.625 119.070 -0.001 0.000 2.755 351 H HA 0.253 4.809 4.556 0.001 0.000 0.273 351 H C 1.348 176.666 175.328 -0.017 0.000 1.055 351 H CA 0.069 56.105 56.048 -0.020 0.000 1.191 351 H CB 1.391 31.125 29.762 -0.046 0.000 1.536 351 H HN 0.735 nan 8.280 nan 0.000 0.529 352 G N 1.713 110.582 108.800 0.115 0.000 2.441 352 G HA2 0.068 4.028 3.960 0.001 0.000 0.243 352 G HA3 0.068 4.028 3.960 0.001 0.000 0.243 352 G C 0.166 175.090 174.900 0.040 0.000 1.281 352 G CA -0.494 44.640 45.100 0.057 0.000 0.854 352 G HN 0.073 nan 8.290 nan 0.000 0.560 353 K N 0.647 121.062 120.400 0.025 0.000 2.138 353 K HA 0.282 4.603 4.320 0.001 0.000 0.251 353 K C 0.866 177.476 176.600 0.017 0.000 1.015 353 K CA -0.297 56.003 56.287 0.022 0.000 0.917 353 K CB 1.121 33.639 32.500 0.029 0.000 1.021 353 K HN 0.620 nan 8.250 nan 0.000 0.485 354 S N -0.766 114.940 115.700 0.010 0.000 2.652 354 S HA 0.251 4.721 4.470 0.001 0.000 0.270 354 S C 0.339 174.923 174.600 -0.027 0.000 1.243 354 S CA -0.772 57.420 58.200 -0.014 0.000 0.999 354 S CB 1.505 64.687 63.200 -0.029 0.000 0.973 354 S HN 0.511 nan 8.310 nan 0.000 0.544 355 S N -0.165 115.483 115.700 -0.087 0.000 2.652 355 S HA 0.442 4.912 4.470 0.001 0.000 0.270 355 S C -0.476 174.067 174.600 -0.094 0.000 1.243 355 S CA -0.318 57.792 58.200 -0.150 0.000 0.999 355 S CB 0.410 63.383 63.200 -0.378 0.000 0.973 355 S HN 0.885 nan 8.310 nan 0.000 0.544 356 D N 0.539 120.932 120.400 -0.012 0.000 2.651 356 D HA 0.199 4.840 4.640 0.001 0.000 0.280 356 D C -0.178 176.236 176.300 0.190 0.000 1.496 356 D CA -0.404 53.638 54.000 0.069 0.000 0.792 356 D CB -0.431 40.441 40.800 0.120 0.000 1.144 356 D HN 0.573 nan 8.370 nan 0.000 0.470 357 W N -0.366 120.900 121.300 -0.055 0.000 2.989 357 W HA 0.530 5.191 4.660 0.001 0.000 0.344 357 W C 0.136 176.575 176.519 -0.133 0.000 1.233 357 W CA -0.735 56.572 57.345 -0.063 0.000 1.187 357 W CB 0.444 29.894 29.460 -0.016 0.000 1.443 357 W HN 0.353 nan 8.180 nan 0.000 0.573 358 G N 1.333 110.148 108.800 0.024 0.000 2.894 358 G HA2 -0.246 3.714 3.960 0.001 0.000 0.247 358 G HA3 -0.246 3.714 3.960 0.001 0.000 0.247 358 G C -1.014 173.553 174.900 -0.555 0.000 1.442 358 G CA -0.073 44.766 45.100 -0.436 0.000 0.897 358 G HN 0.531 nan 8.290 nan 0.000 0.550 359 P HA -0.080 nan 4.420 nan 0.000 0.218 359 P C 1.481 178.561 177.300 -0.367 0.000 1.146 359 P CA 1.774 64.589 63.100 -0.476 0.000 0.813 359 P CB 0.092 31.481 31.700 -0.520 0.000 0.778 360 V N -0.592 119.030 119.914 -0.487 0.000 3.577 360 V HA 0.311 4.431 4.120 0.001 0.000 0.294 360 V C 0.886 176.840 176.094 -0.233 0.000 1.317 360 V CA -0.125 61.997 62.300 -0.298 0.000 1.169 360 V CB -1.377 30.216 31.823 -0.384 0.000 1.011 360 V HN 0.051 nan 8.190 nan 0.000 0.426 361 A N -0.086 122.558 122.820 -0.293 0.000 2.565 361 A HA 0.454 4.775 4.320 0.001 0.000 0.237 361 A C 1.707 179.155 177.584 -0.227 0.000 1.053 361 A CA 0.863 52.754 52.037 -0.243 0.000 0.755 361 A CB -0.434 18.456 19.000 -0.184 0.000 0.980 361 A HN 1.597 nan 8.150 nan 0.000 0.506 362 G N 0.988 109.651 108.800 -0.228 0.000 2.317 362 G HA2 -0.271 3.689 3.960 0.001 0.000 0.227 362 G HA3 -0.271 3.689 3.960 0.001 0.000 0.227 362 G C 0.287 174.969 174.900 -0.363 0.000 1.042 362 G CA 0.576 45.480 45.100 -0.327 0.000 0.623 362 G HN 0.828 nan 8.290 nan 0.000 0.509 363 Y N 0.610 120.832 120.300 -0.130 0.000 2.418 363 Y HA 0.676 5.227 4.550 0.001 0.000 0.327 363 Y C 0.999 176.838 175.900 -0.102 0.000 1.309 363 Y CA -1.040 56.995 58.100 -0.109 0.000 1.423 363 Y CB 0.655 39.040 38.460 -0.125 0.000 1.423 363 Y HN 0.020 nan 8.280 nan 0.000 0.532 364 I N 3.764 124.414 120.570 0.134 0.000 2.337 364 I HA 0.218 4.389 4.170 0.001 0.000 0.285 364 I C -2.651 173.487 176.117 0.035 0.000 1.041 364 I CA -3.076 58.257 61.300 0.055 0.000 1.199 364 I CB 0.300 38.339 38.000 0.065 0.000 1.370 364 I HN 0.201 nan 8.210 nan 0.000 0.470 365 P HA 0.067 nan 4.420 nan 0.000 0.280 365 P C 0.787 178.103 177.300 0.025 0.000 1.244 365 P CA -0.271 62.804 63.100 -0.043 0.000 0.784 365 P CB 1.345 32.956 31.700 -0.148 0.000 0.913 366 F N 3.063 122.969 119.950 -0.073 0.000 2.069 366 F HA -0.166 4.361 4.527 0.001 0.000 0.298 366 F C 0.911 176.702 175.800 -0.015 0.000 1.113 366 F CA 1.533 59.510 58.000 -0.037 0.000 1.214 366 F CB -0.649 38.327 39.000 -0.040 0.000 0.978 366 F HN 0.237 nan 8.300 nan 0.000 0.474 367 D N 1.214 121.533 120.400 -0.135 0.000 2.359 367 D HA -0.016 4.624 4.640 0.001 0.000 0.250 367 D C 0.787 177.032 176.300 -0.091 0.000 1.264 367 D CA 0.115 54.025 54.000 -0.149 0.000 0.911 367 D CB 0.535 41.358 40.800 0.037 0.000 1.056 367 D HN 0.318 nan 8.370 nan 0.000 0.499 368 Q N 2.451 122.193 119.800 -0.097 0.000 2.541 368 Q HA -0.114 4.226 4.340 0.001 0.000 0.215 368 Q C 0.456 176.513 176.000 0.094 0.000 0.977 368 Q CA 0.476 56.272 55.803 -0.012 0.000 0.934 368 Q CB 0.174 28.900 28.738 -0.020 0.000 0.988 368 Q HN 0.569 nan 8.270 nan 0.000 0.521 369 D N -0.402 120.085 120.400 0.146 0.000 2.340 369 D HA 0.017 4.657 4.640 0.001 0.000 0.220 369 D C 1.107 177.600 176.300 0.322 0.000 1.039 369 D CA 0.230 54.420 54.000 0.317 0.000 0.866 369 D CB 0.239 41.291 40.800 0.421 0.000 0.913 369 D HN 0.169 nan 8.370 nan 0.000 0.523 370 L N -0.155 121.124 121.223 0.094 0.000 2.640 370 L HA 0.200 4.541 4.340 0.001 0.000 0.230 370 L C 1.154 177.928 176.870 -0.159 0.000 1.123 370 L CA -0.189 54.577 54.840 -0.122 0.000 0.900 370 L CB 0.054 41.869 42.059 -0.407 0.000 1.146 370 L HN 0.021 nan 8.230 nan 0.000 0.484 371 S N -0.301 115.444 115.700 0.076 0.000 2.646 371 S HA 0.103 4.573 4.470 0.001 0.000 0.273 371 S C 1.207 176.000 174.600 0.322 0.000 1.168 371 S CA -0.538 57.710 58.200 0.080 0.000 1.013 371 S CB 0.824 64.063 63.200 0.065 0.000 1.098 371 S HN 0.305 nan 8.310 nan 0.000 0.544 372 K N -0.431 120.106 120.400 0.229 0.000 2.365 372 K HA 0.101 4.421 4.320 0.001 0.000 0.199 372 K C 0.855 177.603 176.600 0.246 0.000 1.045 372 K CA 0.763 57.221 56.287 0.285 0.000 0.962 372 K CB -0.214 32.386 32.500 0.167 0.000 0.759 372 K HN 0.262 nan 8.250 nan 0.000 0.469 373 K N 1.471 121.995 120.400 0.207 0.000 2.476 373 K HA 0.036 4.357 4.320 0.001 0.000 0.196 373 K C -0.369 176.357 176.600 0.210 0.000 1.025 373 K CA -0.182 56.199 56.287 0.156 0.000 1.138 373 K CB -0.707 31.853 32.500 0.100 0.000 0.860 373 K HN 0.347 nan 8.250 nan 0.000 0.515 374 H N -0.414 118.777 119.070 0.201 0.000 3.119 374 H HA 0.088 4.645 4.556 0.001 0.000 0.334 374 H C 1.503 176.897 175.328 0.109 0.000 1.042 374 H CA 1.589 57.769 56.048 0.220 0.000 1.354 374 H CB 0.215 30.155 29.762 0.297 0.000 1.285 374 H HN 0.343 nan 8.280 nan 0.000 0.601 375 G N 3.205 111.861 108.800 -0.239 0.000 2.377 375 G HA2 -0.361 3.600 3.960 0.001 0.000 0.250 375 G HA3 -0.361 3.600 3.960 0.001 0.000 0.250 375 G C 0.501 175.337 174.900 -0.106 0.000 1.039 375 G CA 0.621 45.517 45.100 -0.341 0.000 0.625 375 G HN 0.730 nan 8.290 nan 0.000 0.526 376 Q N 1.091 120.871 119.800 -0.033 0.000 3.026 376 Q HA 0.414 4.754 4.340 0.001 0.000 0.258 376 Q C 1.571 177.582 176.000 0.019 0.000 1.388 376 Q CA 0.274 56.073 55.803 -0.006 0.000 1.000 376 Q CB 0.470 29.212 28.738 0.007 0.000 1.634 376 Q HN 0.669 nan 8.270 nan 0.000 0.571 377 Q N 1.156 120.966 119.800 0.016 0.000 2.231 377 Q HA -0.308 4.033 4.340 0.001 0.000 0.217 377 Q C 1.453 177.469 176.000 0.026 0.000 1.013 377 Q CA 1.861 57.681 55.803 0.029 0.000 0.917 377 Q CB 0.025 28.775 28.738 0.020 0.000 0.968 377 Q HN 0.658 nan 8.270 nan 0.000 0.414 378 L N -0.050 121.184 121.223 0.017 0.000 2.056 378 L HA -0.064 4.277 4.340 0.001 0.000 0.207 378 L C 2.256 179.134 176.870 0.014 0.000 1.078 378 L CA 2.010 56.859 54.840 0.015 0.000 0.749 378 L CB -0.620 41.447 42.059 0.013 0.000 0.901 378 L HN 0.285 nan 8.230 nan 0.000 0.433 379 A N -1.185 121.645 122.820 0.017 0.000 1.873 379 A HA -0.133 4.187 4.320 0.001 0.000 0.215 379 A C 2.230 179.827 177.584 0.021 0.000 1.186 379 A CA 1.828 53.874 52.037 0.016 0.000 0.616 379 A CB -1.097 17.916 19.000 0.023 0.000 0.823 379 A HN 0.262 nan 8.150 nan 0.000 0.442 380 V N 0.092 120.031 119.914 0.041 0.000 2.278 380 V HA -0.355 3.766 4.120 0.001 0.000 0.251 380 V C 2.457 178.558 176.094 0.012 0.000 1.062 380 V CA 2.537 64.866 62.300 0.048 0.000 1.038 380 V CB -0.946 30.928 31.823 0.085 0.000 0.646 380 V HN 0.665 nan 8.190 nan 0.000 0.447 381 E N -0.257 119.950 120.200 0.012 0.000 2.070 381 E HA -0.313 4.038 4.350 0.001 0.000 0.197 381 E C 2.244 178.835 176.600 -0.016 0.000 1.004 381 E CA 1.730 58.128 56.400 -0.002 0.000 0.805 381 E CB -0.136 29.569 29.700 0.007 0.000 0.744 381 E HN 0.412 nan 8.360 nan 0.000 0.451 382 K N 0.136 120.526 120.400 -0.016 0.000 2.148 382 K HA -0.072 4.248 4.320 0.001 0.000 0.204 382 K C 1.746 178.325 176.600 -0.034 0.000 1.050 382 K CA 1.381 57.649 56.287 -0.031 0.000 0.942 382 K CB -0.540 31.932 32.500 -0.047 0.000 0.724 382 K HN 0.177 nan 8.250 nan 0.000 0.446 383 G N 0.717 109.501 108.800 -0.027 0.000 2.434 383 G HA2 -0.252 3.708 3.960 0.001 0.000 0.214 383 G HA3 -0.252 3.708 3.960 0.001 0.000 0.214 383 G C 1.332 176.197 174.900 -0.058 0.000 1.202 383 G CA 0.708 45.792 45.100 -0.026 0.000 0.788 383 G HN 0.327 nan 8.290 nan 0.000 0.539 384 N N 0.628 119.274 118.700 -0.090 0.000 2.104 384 N HA -0.083 4.658 4.740 0.001 0.000 0.190 384 N C 2.105 177.550 175.510 -0.107 0.000 1.024 384 N CA 0.692 53.640 53.050 -0.170 0.000 0.853 384 N CB -0.450 37.933 38.487 -0.174 0.000 1.008 384 N HN 0.209 nan 8.380 nan 0.000 0.424 385 L N 1.637 122.827 121.223 -0.055 0.000 2.083 385 L HA -0.129 4.212 4.340 0.001 0.000 0.209 385 L C 1.978 178.838 176.870 -0.016 0.000 1.083 385 L CA 1.700 56.524 54.840 -0.026 0.000 0.752 385 L CB -0.279 41.769 42.059 -0.019 0.000 0.899 385 L HN 0.071 nan 8.230 nan 0.000 0.433 386 E N 0.322 120.509 120.200 -0.021 0.000 2.051 386 E HA -0.196 4.155 4.350 0.001 0.000 0.192 386 E C 1.928 178.543 176.600 0.026 0.000 0.991 386 E CA 1.017 57.412 56.400 -0.009 0.000 0.799 386 E CB -0.249 29.460 29.700 0.016 0.000 0.748 386 E HN 0.559 nan 8.360 nan 0.000 0.449 387 N N 0.893 119.612 118.700 0.032 0.000 2.084 387 N HA -0.134 4.606 4.740 0.001 0.000 0.190 387 N C 1.782 177.412 175.510 0.200 0.000 1.030 387 N CA 0.940 54.061 53.050 0.118 0.000 0.849 387 N CB -0.284 38.252 38.487 0.081 0.000 1.012 387 N HN 0.020 nan 8.380 nan 0.000 0.423 388 K N 1.376 121.869 120.400 0.155 0.000 2.059 388 K HA -0.087 4.234 4.320 0.001 0.000 0.212 388 K C 1.931 178.596 176.600 0.108 0.000 1.050 388 K CA 1.372 57.765 56.287 0.177 0.000 0.927 388 K CB -0.024 32.531 32.500 0.092 0.000 0.714 388 K HN 0.174 nan 8.250 nan 0.000 0.447 389 K N -0.324 120.111 120.400 0.059 0.000 2.025 389 K HA -0.061 4.260 4.320 0.001 0.000 0.207 389 K C 2.225 178.861 176.600 0.060 0.000 1.049 389 K CA 1.559 57.860 56.287 0.024 0.000 0.933 389 K CB -0.127 32.366 32.500 -0.011 0.000 0.714 389 K HN 0.044 nan 8.250 nan 0.000 0.438 390 S N 1.360 117.132 115.700 0.119 0.000 2.374 390 S HA -0.145 4.326 4.470 0.001 0.000 0.227 390 S C 1.865 176.574 174.600 0.182 0.000 1.037 390 S CA 1.091 59.420 58.200 0.216 0.000 1.024 390 S CB -0.202 63.083 63.200 0.143 0.000 0.861 390 S HN 0.193 nan 8.310 nan 0.000 0.456 391 I N 1.881 122.524 120.570 0.122 0.000 2.493 391 I HA -0.107 4.063 4.170 0.001 0.000 0.254 391 I C 2.531 178.670 176.117 0.036 0.000 1.160 391 I CA 1.699 63.040 61.300 0.067 0.000 1.445 391 I CB -1.807 36.218 38.000 0.040 0.000 1.086 391 I HN 0.515 nan 8.210 nan 0.000 0.433 392 T N -2.487 112.079 114.554 0.021 0.000 3.053 392 T HA 0.066 4.416 4.350 0.001 0.000 0.236 392 T C 1.478 176.130 174.700 -0.079 0.000 0.996 392 T CA -0.041 62.048 62.100 -0.019 0.000 1.185 392 T CB -0.499 68.359 68.868 -0.017 0.000 0.892 392 T HN 0.221 nan 8.240 nan 0.000 0.432 393 E N 1.198 121.298 120.200 -0.166 0.000 2.501 393 E HA -0.112 4.238 4.350 0.001 0.000 0.203 393 E C 0.362 176.573 176.600 -0.647 0.000 1.072 393 E CA 0.682 56.851 56.400 -0.384 0.000 0.885 393 E CB -0.129 29.290 29.700 -0.468 0.000 0.813 393 E HN 0.698 nan 8.360 nan 0.000 0.556 394 H N -0.525 118.541 119.070 -0.008 0.000 3.043 394 H HA 0.091 4.648 4.556 0.001 0.000 0.244 394 H C -0.252 175.072 175.328 -0.007 0.000 1.199 394 H CA -0.274 55.771 56.048 -0.006 0.000 0.956 394 H CB -0.090 29.670 29.762 -0.004 0.000 2.305 394 H HN 0.185 nan 8.280 nan 0.000 0.665 395 E N 1.023 121.251 120.200 0.047 0.000 2.829 395 E HA -0.037 4.314 4.350 0.001 0.000 0.264 395 E C 1.150 177.769 176.600 0.033 0.000 0.922 395 E CA 1.664 58.080 56.400 0.026 0.000 0.960 395 E CB 0.283 29.983 29.700 -0.001 0.000 0.918 395 E HN 0.684 nan 8.360 nan 0.000 0.497 396 G N 4.010 112.823 108.800 0.021 0.000 2.363 396 G HA2 -0.369 3.592 3.960 0.001 0.000 0.238 396 G HA3 -0.369 3.592 3.960 0.001 0.000 0.238 396 G C 1.025 175.937 174.900 0.021 0.000 1.062 396 G CA 0.575 45.684 45.100 0.015 0.000 0.629 396 G HN 0.619 nan 8.290 nan 0.000 0.514 397 E N 0.040 120.265 120.200 0.042 0.000 2.166 397 E HA 0.273 4.623 4.350 0.001 0.000 0.192 397 E C 0.846 177.457 176.600 0.019 0.000 0.967 397 E CA 0.624 57.043 56.400 0.032 0.000 0.840 397 E CB 0.122 29.849 29.700 0.045 0.000 0.795 397 E HN 0.433 nan 8.360 nan 0.000 0.470 398 I N 0.424 121.016 120.570 0.038 0.000 2.498 398 I HA 0.572 4.743 4.170 0.001 0.000 0.290 398 I C 0.546 176.674 176.117 0.017 0.000 1.032 398 I CA -0.576 60.739 61.300 0.025 0.000 1.073 398 I CB 1.052 39.074 38.000 0.037 0.000 1.251 398 I HN 0.109 nan 8.210 nan 0.000 0.426 399 G N 5.694 114.488 108.800 -0.009 0.000 3.166 399 G HA2 0.779 4.740 3.960 0.001 0.000 0.267 399 G HA3 0.779 4.740 3.960 0.001 0.000 0.267 399 G C -1.228 173.629 174.900 -0.071 0.000 1.256 399 G CA -0.585 44.488 45.100 -0.045 0.000 0.859 399 G HN 0.587 nan 8.290 nan 0.000 0.590 400 K N -1.081 119.244 120.400 -0.125 0.000 2.527 400 K HA 0.716 5.036 4.320 0.001 0.000 0.260 400 K C -0.966 175.548 176.600 -0.144 0.000 0.937 400 K CA -0.831 55.365 56.287 -0.153 0.000 0.826 400 K CB 2.505 34.823 32.500 -0.304 0.000 1.359 400 K HN 0.854 nan 8.250 nan 0.000 0.434 401 I N -2.822 117.671 120.570 -0.128 0.000 3.095 401 I HA 0.551 4.721 4.170 0.001 0.000 0.310 401 I C -3.055 172.985 176.117 -0.129 0.000 1.196 401 I CA -3.049 58.179 61.300 -0.119 0.000 0.985 401 I CB 2.358 40.293 38.000 -0.108 0.000 1.250 401 I HN 0.366 nan 8.210 nan 0.000 0.446 402 P HA 0.200 nan 4.420 nan 0.000 0.271 402 P C -0.627 176.575 177.300 -0.163 0.000 1.216 402 P CA -0.209 62.824 63.100 -0.112 0.000 0.776 402 P CB 0.586 32.241 31.700 -0.074 0.000 0.881 403 L N 3.950 125.058 121.223 -0.191 0.000 2.380 403 L HA 0.245 4.585 4.340 0.001 0.000 0.273 403 L C -0.093 176.657 176.870 -0.201 0.000 1.138 403 L CA 0.667 55.345 54.840 -0.271 0.000 0.832 403 L CB -0.091 41.797 42.059 -0.285 0.000 1.124 403 L HN 0.228 nan 8.230 nan 0.000 0.454 404 K N 6.106 126.374 120.400 -0.220 0.000 2.535 404 K HA 0.449 4.769 4.320 0.001 0.000 0.253 404 K C -1.417 175.094 176.600 -0.147 0.000 0.953 404 K CA -0.443 55.752 56.287 -0.153 0.000 0.863 404 K CB 1.285 33.707 32.500 -0.130 0.000 1.111 404 K HN 0.574 nan 8.250 nan 0.000 0.431 405 L N 4.336 125.483 121.223 -0.127 0.000 2.255 405 L HA 0.186 4.527 4.340 0.001 0.000 0.289 405 L C 0.178 176.946 176.870 -0.171 0.000 1.046 405 L CA -0.792 53.983 54.840 -0.109 0.000 0.816 405 L CB 0.583 42.588 42.059 -0.090 0.000 1.197 405 L HN 0.687 nan 8.230 nan 0.000 0.427 406 D N 0.782 121.076 120.400 -0.177 0.000 2.371 406 D HA -0.025 4.615 4.640 0.001 0.000 0.242 406 D C 1.292 177.415 176.300 -0.295 0.000 1.218 406 D CA -0.148 53.649 54.000 -0.338 0.000 0.945 406 D CB 0.587 41.283 40.800 -0.173 0.000 1.137 406 D HN 0.391 nan 8.370 nan 0.000 0.464 407 H N 0.276 119.342 119.070 -0.007 0.000 2.321 407 H HA -0.149 4.408 4.556 0.001 0.000 0.295 407 H C 1.995 177.312 175.328 -0.018 0.000 1.102 407 H CA 1.425 57.465 56.048 -0.014 0.000 1.266 407 H CB -0.485 29.269 29.762 -0.013 0.000 1.363 407 H HN 0.324 nan 8.280 nan 0.000 0.492 408 L N 0.330 121.601 121.223 0.081 0.000 2.056 408 L HA -0.122 4.218 4.340 0.001 0.000 0.207 408 L C 2.857 179.727 176.870 -0.000 0.000 1.078 408 L CA 1.227 56.088 54.840 0.035 0.000 0.749 408 L CB -0.437 41.640 42.059 0.030 0.000 0.901 408 L HN 0.060 nan 8.230 nan 0.000 0.433 409 R N 0.429 120.920 120.500 -0.015 0.000 2.096 409 R HA -0.119 4.222 4.340 0.001 0.000 0.235 409 R C 2.093 178.373 176.300 -0.034 0.000 1.127 409 R CA 1.502 57.586 56.100 -0.026 0.000 0.968 409 R CB -0.546 29.745 30.300 -0.015 0.000 0.861 409 R HN 0.175 nan 8.270 nan 0.000 0.440 410 I N 0.881 121.430 120.570 -0.036 0.000 2.248 410 I HA -0.255 3.915 4.170 0.001 0.000 0.248 410 I C 1.853 177.954 176.117 -0.027 0.000 1.107 410 I CA 1.690 62.969 61.300 -0.036 0.000 1.373 410 I CB -0.966 37.014 38.000 -0.033 0.000 1.055 410 I HN 0.364 nan 8.210 nan 0.000 0.418 411 E N 0.477 120.666 120.200 -0.017 0.000 2.112 411 E HA -0.162 4.188 4.350 0.001 0.000 0.190 411 E C 2.016 178.604 176.600 -0.021 0.000 0.979 411 E CA 0.628 57.018 56.400 -0.016 0.000 0.814 411 E CB 0.039 29.735 29.700 -0.008 0.000 0.762 411 E HN 0.557 nan 8.360 nan 0.000 0.460 412 E N 0.762 120.947 120.200 -0.026 0.000 2.110 412 E HA -0.174 4.177 4.350 0.001 0.000 0.193 412 E C 2.108 178.685 176.600 -0.038 0.000 0.988 412 E CA 0.738 57.118 56.400 -0.034 0.000 0.804 412 E CB -0.043 29.631 29.700 -0.043 0.000 0.745 412 E HN 0.255 nan 8.360 nan 0.000 0.458 413 L N 0.953 122.152 121.223 -0.041 0.000 2.109 413 L HA -0.123 4.217 4.340 0.001 0.000 0.207 413 L C 2.650 179.503 176.870 -0.028 0.000 1.086 413 L CA 0.969 55.783 54.840 -0.043 0.000 0.760 413 L CB -0.282 41.743 42.059 -0.057 0.000 0.910 413 L HN 0.056 nan 8.230 nan 0.000 0.437 414 K N -0.027 120.359 120.400 -0.023 0.000 2.097 414 K HA -0.196 4.124 4.320 0.001 0.000 0.206 414 K C 1.983 178.576 176.600 -0.011 0.000 1.049 414 K CA 1.176 57.455 56.287 -0.014 0.000 0.933 414 K CB 0.188 32.680 32.500 -0.014 0.000 0.717 414 K HN 0.183 nan 8.250 nan 0.000 0.442 415 E N 1.053 121.244 120.200 -0.016 0.000 2.007 415 E HA -0.170 4.180 4.350 0.001 0.000 0.194 415 E C 1.595 178.187 176.600 -0.013 0.000 0.999 415 E CA 1.398 57.790 56.400 -0.014 0.000 0.811 415 E CB -0.710 28.979 29.700 -0.019 0.000 0.762 415 E HN 0.427 nan 8.360 nan 0.000 0.450 416 N N 0.248 118.937 118.700 -0.019 0.000 2.659 416 N HA -0.101 4.639 4.740 0.001 0.000 0.194 416 N C 0.536 176.044 175.510 -0.004 0.000 1.140 416 N CA 0.472 53.512 53.050 -0.016 0.000 0.936 416 N CB -0.139 38.332 38.487 -0.026 0.000 0.970 416 N HN 0.268 nan 8.380 nan 0.000 0.449 417 G N 0.749 109.549 108.800 -0.001 0.000 2.359 417 G HA2 -0.229 3.732 3.960 0.001 0.000 0.298 417 G HA3 -0.229 3.732 3.960 0.001 0.000 0.298 417 G C 0.527 175.439 174.900 0.021 0.000 1.030 417 G CA -0.082 45.024 45.100 0.010 0.000 1.149 417 G HN 0.280 nan 8.290 nan 0.000 0.512 418 I N -0.589 119.990 120.570 0.014 0.000 3.718 418 I HA 0.322 4.492 4.170 0.001 0.000 0.297 418 I C 1.276 177.408 176.117 0.026 0.000 1.220 418 I CA 1.182 62.498 61.300 0.025 0.000 1.381 418 I CB -0.081 37.915 38.000 -0.006 0.000 1.238 418 I HN 0.576 nan 8.210 nan 0.000 0.448 419 I N -1.308 119.265 120.570 0.004 0.000 2.841 419 I HA 0.478 4.648 4.170 0.001 0.000 0.298 419 I C -1.634 174.492 176.117 0.014 0.000 1.304 419 I CA -0.716 60.589 61.300 0.008 0.000 1.019 419 I CB 2.579 40.550 38.000 -0.048 0.000 1.282 419 I HN -0.247 nan 8.210 nan 0.000 0.432 420 L N 3.409 124.654 121.223 0.036 0.000 2.362 420 L HA 0.542 4.882 4.340 0.001 0.000 0.275 420 L C -0.381 176.514 176.870 0.041 0.000 0.998 420 L CA -0.970 53.890 54.840 0.032 0.000 0.820 420 L CB 1.944 44.028 42.059 0.042 0.000 1.270 420 L HN 0.633 nan 8.230 nan 0.000 0.415 421 K N 2.330 122.741 120.400 0.018 0.000 2.363 421 K HA 0.320 4.640 4.320 0.001 0.000 0.289 421 K C 0.269 176.892 176.600 0.037 0.000 1.063 421 K CA 0.039 56.335 56.287 0.014 0.000 0.967 421 K CB 0.679 33.148 32.500 -0.052 0.000 0.987 421 K HN 0.631 nan 8.250 nan 0.000 0.473 422 G N 3.503 112.362 108.800 0.099 0.000 2.582 422 G HA2 0.140 4.101 3.960 0.001 0.000 0.232 422 G HA3 0.140 4.101 3.960 0.001 0.000 0.232 422 G C -0.740 174.264 174.900 0.173 0.000 1.458 422 G CA -0.684 44.490 45.100 0.123 0.000 1.062 422 G HN 0.757 nan 8.290 nan 0.000 0.566 423 K N 0.083 120.592 120.400 0.182 0.000 2.219 423 K HA 0.270 4.590 4.320 0.001 0.000 0.258 423 K C -0.016 176.759 176.600 0.292 0.000 1.008 423 K CA -0.362 56.051 56.287 0.210 0.000 0.928 423 K CB 1.220 33.807 32.500 0.145 0.000 0.983 423 K HN 0.381 nan 8.250 nan 0.000 0.484 424 K N 0.359 120.927 120.400 0.280 0.000 2.120 424 K HA 0.027 4.347 4.320 0.001 0.000 0.245 424 K C -0.804 175.860 176.600 0.105 0.000 1.024 424 K CA -0.240 56.136 56.287 0.149 0.000 0.906 424 K CB 0.685 33.219 32.500 0.058 0.000 1.051 424 K HN 0.818 nan 8.250 nan 0.000 0.491 425 E N 2.047 122.289 120.200 0.071 0.000 2.388 425 E HA 0.252 4.603 4.350 0.001 0.000 0.282 425 E C -1.668 175.016 176.600 0.140 0.000 1.026 425 E CA -0.624 55.847 56.400 0.119 0.000 0.820 425 E CB 1.122 30.937 29.700 0.191 0.000 1.226 425 E HN 0.527 nan 8.360 nan 0.000 0.432 426 I N 2.283 122.911 120.570 0.096 0.000 2.608 426 I HA 0.445 4.616 4.170 0.001 0.000 0.295 426 I C -1.049 175.104 176.117 0.060 0.000 1.049 426 I CA -0.853 60.507 61.300 0.101 0.000 1.063 426 I CB 2.043 40.062 38.000 0.032 0.000 1.248 426 I HN 0.431 nan 8.210 nan 0.000 0.424 427 D N 4.491 124.957 120.400 0.109 0.000 2.964 427 D HA 0.190 4.830 4.640 0.001 0.000 0.234 427 D C -0.226 176.104 176.300 0.050 0.000 1.223 427 D CA -0.437 53.549 54.000 -0.024 0.000 0.889 427 D CB 1.363 41.993 40.800 -0.282 0.000 1.609 427 D HN 0.533 nan 8.370 nan 0.000 0.523 428 N N 2.815 121.512 118.700 -0.006 0.000 2.702 428 N HA -0.221 4.519 4.740 0.001 0.000 0.255 428 N C 0.700 176.232 175.510 0.036 0.000 0.983 428 N CA 1.956 55.014 53.050 0.013 0.000 0.768 428 N CB -1.000 37.500 38.487 0.021 0.000 0.918 428 N HN 0.863 nan 8.380 nan 0.000 0.540 429 G N -0.539 108.276 108.800 0.025 0.000 2.221 429 G HA2 -0.305 3.655 3.960 0.001 0.000 0.265 429 G HA3 -0.305 3.655 3.960 0.001 0.000 0.265 429 G C -0.408 174.496 174.900 0.008 0.000 1.041 429 G CA 0.766 45.875 45.100 0.014 0.000 0.807 429 G HN 0.556 nan 8.290 nan 0.000 0.502 430 K N -0.391 120.025 120.400 0.027 0.000 2.426 430 K HA 0.468 4.788 4.320 0.001 0.000 0.251 430 K C -0.387 176.124 176.600 -0.149 0.000 0.941 430 K CA -0.979 55.261 56.287 -0.079 0.000 0.808 430 K CB 2.334 34.802 32.500 -0.052 0.000 1.265 430 K HN 0.189 nan 8.250 nan 0.000 0.432 431 K N 2.612 122.830 120.400 -0.303 0.000 2.234 431 K HA 0.302 4.623 4.320 0.001 0.000 0.277 431 K C -1.270 175.049 176.600 -0.468 0.000 1.038 431 K CA -0.288 55.825 56.287 -0.290 0.000 0.888 431 K CB 0.516 32.859 32.500 -0.263 0.000 1.091 431 K HN 0.465 nan 8.250 nan 0.000 0.467 432 Y N 2.406 122.634 120.300 -0.120 0.000 2.499 432 Y HA 0.318 4.869 4.550 0.001 0.000 0.347 432 Y C -0.962 174.831 175.900 -0.178 0.000 0.987 432 Y CA -0.853 57.212 58.100 -0.059 0.000 1.044 432 Y CB 1.685 40.270 38.460 0.210 0.000 1.245 432 Y HN 0.425 nan 8.280 nan 0.000 0.461 433 Y N 2.224 122.682 120.300 0.264 0.000 2.341 433 Y HA 0.430 4.980 4.550 0.001 0.000 0.338 433 Y C -0.305 175.696 175.900 0.169 0.000 0.965 433 Y CA -0.955 57.252 58.100 0.177 0.000 1.108 433 Y CB 1.354 39.883 38.460 0.116 0.000 1.180 433 Y HN 0.444 nan 8.280 nan 0.000 0.458 434 L N 3.689 125.103 121.223 0.318 0.000 2.476 434 L HA 0.223 4.564 4.340 0.001 0.000 0.264 434 L C -0.704 176.292 176.870 0.210 0.000 1.224 434 L CA 0.416 55.398 54.840 0.236 0.000 0.821 434 L CB 0.340 42.524 42.059 0.208 0.000 1.101 434 L HN 0.520 nan 8.230 nan 0.000 0.488 435 L N 2.575 123.918 121.223 0.199 0.000 2.441 435 L HA 0.406 4.746 4.340 0.001 0.000 0.270 435 L C -0.794 176.209 176.870 0.222 0.000 0.973 435 L CA -0.780 54.161 54.840 0.168 0.000 0.842 435 L CB 1.615 43.749 42.059 0.126 0.000 1.239 435 L HN 0.515 nan 8.230 nan 0.000 0.406 436 E N 2.235 122.539 120.200 0.173 0.000 2.283 436 E HA 0.655 5.005 4.350 0.001 0.000 0.267 436 E C -0.408 176.310 176.600 0.198 0.000 1.045 436 E CA -0.300 56.216 56.400 0.193 0.000 0.884 436 E CB 2.287 32.069 29.700 0.136 0.000 1.106 436 E HN 0.558 nan 8.360 nan 0.000 0.408 437 S N -0.785 115.060 115.700 0.242 0.000 2.570 437 S HA 0.202 4.673 4.470 0.001 0.000 0.270 437 S C -0.086 174.633 174.600 0.198 0.000 1.149 437 S CA -0.917 57.426 58.200 0.238 0.000 0.837 437 S CB 0.473 63.901 63.200 0.379 0.000 1.124 437 S HN 0.589 nan 8.310 nan 0.000 0.465 438 N N 1.299 120.085 118.700 0.143 0.000 2.471 438 N HA -0.048 4.693 4.740 0.001 0.000 0.205 438 N C 0.135 175.686 175.510 0.068 0.000 1.251 438 N CA -0.444 52.659 53.050 0.088 0.000 0.843 438 N CB -0.149 38.370 38.487 0.054 0.000 1.044 438 N HN 0.595 nan 8.380 nan 0.000 0.461 439 N N 1.531 120.310 118.700 0.131 0.000 2.529 439 N HA -0.044 4.696 4.740 0.001 0.000 0.278 439 N C 0.589 176.142 175.510 0.072 0.000 1.146 439 N CA -0.169 52.923 53.050 0.070 0.000 0.980 439 N CB 1.111 39.718 38.487 0.200 0.000 1.124 439 N HN 0.351 nan 8.380 nan 0.000 0.458 440 Q N 2.633 122.442 119.800 0.015 0.000 2.281 440 Q HA 0.080 4.420 4.340 0.001 0.000 0.215 440 Q C 0.847 176.805 176.000 -0.070 0.000 0.867 440 Q CA 0.598 56.393 55.803 -0.014 0.000 0.940 440 Q CB -0.206 28.517 28.738 -0.024 0.000 1.111 440 Q HN 0.419 nan 8.270 nan 0.000 0.513 441 V N -0.295 119.557 119.914 -0.105 0.000 2.825 441 V HA 0.153 4.274 4.120 0.001 0.000 0.246 441 V C 0.266 176.037 176.094 -0.539 0.000 1.068 441 V CA 0.838 62.935 62.300 -0.338 0.000 1.088 441 V CB -0.242 31.310 31.823 -0.453 0.000 0.733 441 V HN 0.168 nan 8.190 nan 0.000 0.468 442 Y N -0.570 119.691 120.300 -0.065 0.000 2.621 442 Y HA 0.673 5.223 4.550 0.001 0.000 0.334 442 Y C 0.072 175.744 175.900 -0.380 0.000 1.074 442 Y CA -1.046 56.916 58.100 -0.230 0.000 1.149 442 Y CB 1.567 39.886 38.460 -0.234 0.000 1.302 442 Y HN -0.035 nan 8.280 nan 0.000 0.501 443 E N 1.153 121.141 120.200 -0.353 0.000 2.292 443 E HA 0.524 4.875 4.350 0.001 0.000 0.272 443 E C -2.078 174.229 176.600 -0.489 0.000 0.881 443 E CA -0.526 55.693 56.400 -0.301 0.000 0.754 443 E CB 1.246 30.907 29.700 -0.064 0.000 1.201 443 E HN 0.462 nan 8.360 nan 0.000 0.425 444 F N 2.693 122.709 119.950 0.111 0.000 2.579 444 F HA 0.662 5.190 4.527 0.001 0.000 0.324 444 F C 0.169 175.942 175.800 -0.045 0.000 1.058 444 F CA -0.976 57.035 58.000 0.018 0.000 0.944 444 F CB 1.426 40.437 39.000 0.018 0.000 1.245 444 F HN 0.295 nan 8.300 nan 0.000 0.477 445 R N 1.703 122.219 120.500 0.026 0.000 2.680 445 R HA 0.678 5.019 4.340 0.001 0.000 0.269 445 R C -1.839 174.451 176.300 -0.016 0.000 1.026 445 R CA -0.667 55.408 56.100 -0.041 0.000 0.889 445 R CB 2.053 32.170 30.300 -0.305 0.000 1.241 445 R HN 0.873 nan 8.270 nan 0.000 0.463 446 I N 0.048 120.703 120.570 0.141 0.000 2.646 446 I HA 0.373 4.544 4.170 0.001 0.000 0.299 446 I C -0.240 176.057 176.117 0.299 0.000 1.036 446 I CA -0.589 60.810 61.300 0.165 0.000 1.074 446 I CB 2.335 40.410 38.000 0.124 0.000 1.258 446 I HN 0.779 nan 8.210 nan 0.000 0.430 447 S N 4.287 120.112 115.700 0.208 0.000 2.565 447 S HA 0.078 4.549 4.470 0.001 0.000 0.274 447 S C 0.727 175.311 174.600 -0.027 0.000 1.309 447 S CA -0.275 57.926 58.200 0.002 0.000 1.043 447 S CB 0.933 64.133 63.200 -0.000 0.000 0.939 447 S HN 0.835 nan 8.310 nan 0.000 0.504 448 D N 2.992 123.310 120.400 -0.136 0.000 2.162 448 D HA -0.079 4.561 4.640 0.001 0.000 0.203 448 D C 1.316 177.613 176.300 -0.005 0.000 0.967 448 D CA 1.167 55.158 54.000 -0.015 0.000 0.840 448 D CB 0.199 40.943 40.800 -0.093 0.000 0.972 448 D HN 0.804 nan 8.370 nan 0.000 0.482 449 E N 0.316 120.476 120.200 -0.067 0.000 2.001 449 E HA -0.155 4.196 4.350 0.001 0.000 0.193 449 E C 1.501 178.097 176.600 -0.006 0.000 0.994 449 E CA 1.392 57.772 56.400 -0.034 0.000 0.815 449 E CB -0.044 29.620 29.700 -0.059 0.000 0.770 449 E HN 0.312 nan 8.360 nan 0.000 0.453 450 N N -0.127 118.563 118.700 -0.017 0.000 2.236 450 N HA 0.026 4.767 4.740 0.001 0.000 0.196 450 N C -0.419 175.078 175.510 -0.022 0.000 1.114 450 N CA 0.045 53.088 53.050 -0.011 0.000 0.859 450 N CB 0.212 38.692 38.487 -0.012 0.000 0.982 450 N HN 0.016 nan 8.380 nan 0.000 0.493 451 N N 0.498 119.189 118.700 -0.016 0.000 2.747 451 N HA -0.167 4.574 4.740 0.001 0.000 0.249 451 N C -1.275 174.214 175.510 -0.034 0.000 1.107 451 N CA 0.681 53.713 53.050 -0.030 0.000 0.707 451 N CB -1.292 37.134 38.487 -0.101 0.000 1.054 451 N HN 0.638 nan 8.380 nan 0.000 0.555 452 E N 0.361 120.559 120.200 -0.004 0.000 2.229 452 E HA 0.349 4.699 4.350 0.001 0.000 0.283 452 E C 0.187 176.794 176.600 0.011 0.000 1.030 452 E CA -0.508 55.886 56.400 -0.009 0.000 0.836 452 E CB 1.497 31.206 29.700 0.014 0.000 1.068 452 E HN -0.024 nan 8.360 nan 0.000 0.401 453 V N 3.646 123.538 119.914 -0.037 0.000 2.607 453 V HA 0.150 4.271 4.120 0.001 0.000 0.289 453 V C 0.212 176.280 176.094 -0.044 0.000 1.053 453 V CA -0.402 61.874 62.300 -0.041 0.000 0.996 453 V CB 1.050 32.821 31.823 -0.086 0.000 0.995 453 V HN 0.670 nan 8.190 nan 0.000 0.476 454 Q N 3.014 122.766 119.800 -0.081 0.000 2.528 454 Q HA 0.717 5.057 4.340 0.001 0.000 0.289 454 Q C -1.455 174.581 176.000 0.060 0.000 1.091 454 Q CA -0.813 54.950 55.803 -0.066 0.000 0.797 454 Q CB 3.141 31.663 28.738 -0.359 0.000 1.466 454 Q HN 0.858 nan 8.270 nan 0.000 0.436 455 Y N -1.819 118.397 120.300 -0.139 0.000 2.625 455 Y HA 0.772 5.322 4.550 0.001 0.000 0.338 455 Y C -1.528 174.408 175.900 0.059 0.000 1.123 455 Y CA -1.288 56.751 58.100 -0.100 0.000 1.046 455 Y CB 1.890 40.338 38.460 -0.021 0.000 1.299 455 Y HN 0.643 nan 8.280 nan 0.000 0.464 456 K N -0.278 120.096 120.400 -0.044 0.000 2.575 456 K HA 0.506 4.827 4.320 0.001 0.000 0.279 456 K C -1.493 174.963 176.600 -0.241 0.000 0.969 456 K CA -0.764 55.463 56.287 -0.100 0.000 0.868 456 K CB 2.053 34.612 32.500 0.099 0.000 1.457 456 K HN 0.818 nan 8.250 nan 0.000 0.426 457 T N 0.007 114.197 114.554 -0.607 0.000 2.868 457 T HA 0.244 4.594 4.350 0.001 0.000 0.292 457 T C -0.040 174.472 174.700 -0.312 0.000 1.028 457 T CA -0.684 61.084 62.100 -0.555 0.000 1.059 457 T CB 0.727 69.165 68.868 -0.718 0.000 0.991 457 T HN 0.491 nan 8.240 nan 0.000 0.531 458 K N 0.805 121.040 120.400 -0.274 0.000 2.118 458 K HA 0.268 4.589 4.320 0.001 0.000 0.264 458 K C 0.224 176.737 176.600 -0.146 0.000 1.000 458 K CA -0.724 55.464 56.287 -0.165 0.000 0.929 458 K CB 0.721 33.138 32.500 -0.137 0.000 1.021 458 K HN 0.627 nan 8.250 nan 0.000 0.463 459 E N 0.466 120.608 120.200 -0.097 0.000 2.558 459 E HA -0.030 4.321 4.350 0.001 0.000 0.255 459 E C 0.846 177.397 176.600 -0.082 0.000 0.968 459 E CA 1.789 58.141 56.400 -0.080 0.000 0.939 459 E CB 0.031 29.699 29.700 -0.055 0.000 0.921 459 E HN 0.696 nan 8.360 nan 0.000 0.477 460 G N 4.195 112.946 108.800 -0.081 0.000 2.304 460 G HA2 -0.270 3.690 3.960 0.001 0.000 0.252 460 G HA3 -0.270 3.690 3.960 0.001 0.000 0.252 460 G C 0.115 174.961 174.900 -0.090 0.000 1.014 460 G CA 0.516 45.571 45.100 -0.074 0.000 0.619 460 G HN 0.478 nan 8.290 nan 0.000 0.525 461 K N 0.070 120.396 120.400 -0.123 0.000 2.118 461 K HA 0.728 5.048 4.320 0.001 0.000 0.264 461 K C -0.506 175.992 176.600 -0.170 0.000 1.000 461 K CA -0.708 55.489 56.287 -0.149 0.000 0.929 461 K CB 2.021 34.406 32.500 -0.191 0.000 1.021 461 K HN 0.252 nan 8.250 nan 0.000 0.463 462 I N 0.270 120.750 120.570 -0.150 0.000 2.608 462 I HA 0.144 4.314 4.170 0.001 0.000 0.295 462 I C 0.047 176.093 176.117 -0.119 0.000 1.049 462 I CA -0.095 61.129 61.300 -0.126 0.000 1.063 462 I CB 2.083 40.042 38.000 -0.068 0.000 1.248 462 I HN 0.492 nan 8.210 nan 0.000 0.424 463 T N 4.587 119.093 114.554 -0.080 0.000 2.734 463 T HA 0.095 4.446 4.350 0.001 0.000 0.314 463 T C 1.479 176.214 174.700 0.059 0.000 1.057 463 T CA -0.239 61.875 62.100 0.024 0.000 1.047 463 T CB 0.716 69.687 68.868 0.173 0.000 0.991 463 T HN 0.425 nan 8.240 nan 0.000 0.540 464 V N 1.461 121.447 119.914 0.121 0.000 2.490 464 V HA -0.078 4.042 4.120 0.001 0.000 0.250 464 V C 2.049 178.185 176.094 0.070 0.000 1.061 464 V CA 1.530 63.878 62.300 0.080 0.000 1.064 464 V CB -0.602 31.284 31.823 0.105 0.000 0.670 464 V HN 0.652 nan 8.190 nan 0.000 0.461 465 L N 0.796 122.079 121.223 0.100 0.000 2.645 465 L HA 0.306 4.647 4.340 0.001 0.000 0.234 465 L C 1.445 178.356 176.870 0.068 0.000 1.165 465 L CA 0.538 55.427 54.840 0.081 0.000 0.944 465 L CB -0.892 41.227 42.059 0.099 0.000 1.149 465 L HN 0.546 nan 8.230 nan 0.000 0.446 466 G N 1.205 110.036 108.800 0.052 0.000 2.350 466 G HA2 -0.242 3.718 3.960 0.001 0.000 0.298 466 G HA3 -0.242 3.718 3.960 0.001 0.000 0.298 466 G C -0.014 174.912 174.900 0.044 0.000 1.037 466 G CA 0.212 45.330 45.100 0.030 0.000 1.074 466 G HN 0.544 nan 8.290 nan 0.000 0.511 467 E N -0.418 119.822 120.200 0.066 0.000 2.334 467 E HA 0.784 5.135 4.350 0.001 0.000 0.256 467 E C 0.095 176.702 176.600 0.010 0.000 0.958 467 E CA -1.097 55.364 56.400 0.102 0.000 0.821 467 E CB 1.611 31.458 29.700 0.245 0.000 1.269 467 E HN 0.504 nan 8.360 nan 0.000 0.413 468 K N 0.434 120.856 120.400 0.037 0.000 2.557 468 K HA 0.603 4.924 4.320 0.001 0.000 0.261 468 K C -1.332 175.272 176.600 0.007 0.000 0.932 468 K CA -0.861 55.334 56.287 -0.154 0.000 0.829 468 K CB 1.424 33.859 32.500 -0.108 0.000 1.358 468 K HN 0.541 nan 8.250 nan 0.000 0.430 469 F N -1.114 118.814 119.950 -0.037 0.000 2.770 469 F HA 0.427 4.954 4.527 0.001 0.000 0.313 469 F C -0.436 175.343 175.800 -0.034 0.000 1.154 469 F CA -1.082 56.896 58.000 -0.037 0.000 0.923 469 F CB 0.726 39.694 39.000 -0.053 0.000 1.301 469 F HN 0.533 nan 8.300 nan 0.000 0.449 470 N N -0.365 118.496 118.700 0.268 0.000 2.518 470 N HA 0.256 4.997 4.740 0.001 0.000 0.230 470 N C -1.224 174.503 175.510 0.362 0.000 1.022 470 N CA 0.739 53.919 53.050 0.217 0.000 1.172 470 N CB 0.198 38.750 38.487 0.107 0.000 1.498 470 N HN 0.600 nan 8.380 nan 0.000 0.602 471 W N 1.188 122.510 121.300 0.037 0.000 2.761 471 W HA 0.562 5.223 4.660 0.001 0.000 0.340 471 W C -0.748 175.787 176.519 0.026 0.000 1.072 471 W CA -0.577 56.773 57.345 0.008 0.000 1.215 471 W CB 1.098 30.521 29.460 -0.061 0.000 1.420 471 W HN 0.242 nan 8.180 nan 0.000 0.519 472 R N 2.094 122.660 120.500 0.111 0.000 2.633 472 R HA 0.373 4.714 4.340 0.001 0.000 0.255 472 R C -1.213 175.178 176.300 0.153 0.000 1.106 472 R CA -0.956 55.195 56.100 0.086 0.000 0.959 472 R CB 0.331 30.615 30.300 -0.028 0.000 1.259 472 R HN 0.386 nan 8.270 nan 0.000 0.453 473 N N 2.140 120.905 118.700 0.108 0.000 2.329 473 N HA 0.080 4.821 4.740 0.001 0.000 0.237 473 N C -0.352 175.246 175.510 0.146 0.000 1.258 473 N CA 0.200 53.303 53.050 0.089 0.000 0.866 473 N CB 0.462 38.970 38.487 0.034 0.000 1.102 473 N HN 0.444 nan 8.380 nan 0.000 0.440 474 I N 1.250 121.826 120.570 0.010 0.000 2.312 474 I HA 0.094 4.265 4.170 0.001 0.000 0.291 474 I C 0.341 176.385 176.117 -0.122 0.000 1.031 474 I CA -0.290 60.907 61.300 -0.171 0.000 1.293 474 I CB 0.442 38.234 38.000 -0.346 0.000 1.403 474 I HN 0.373 nan 8.210 nan 0.000 0.484 475 E N 5.857 126.024 120.200 -0.056 0.000 2.266 475 E HA 0.482 4.832 4.350 0.001 0.000 0.277 475 E C -0.793 175.782 176.600 -0.041 0.000 1.018 475 E CA -0.680 55.688 56.400 -0.052 0.000 0.840 475 E CB 2.305 31.982 29.700 -0.039 0.000 1.082 475 E HN 0.431 nan 8.360 nan 0.000 0.395 476 V N -0.672 119.189 119.914 -0.089 0.000 2.769 476 V HA 0.454 4.574 4.120 0.001 0.000 0.312 476 V C -0.126 175.950 176.094 -0.030 0.000 1.061 476 V CA -1.341 60.916 62.300 -0.072 0.000 0.931 476 V CB 1.712 33.413 31.823 -0.203 0.000 1.010 476 V HN 0.571 nan 8.190 nan 0.000 0.433 477 M N 3.067 122.687 119.600 0.033 0.000 2.246 477 M HA 0.582 5.062 4.480 0.001 0.000 0.350 477 M C 0.226 176.534 176.300 0.013 0.000 1.406 477 M CA 0.588 55.916 55.300 0.047 0.000 1.089 477 M CB 0.170 32.820 32.600 0.083 0.000 1.782 477 M HN 1.136 nan 8.290 nan 0.000 0.457 478 A N 4.473 127.290 122.820 -0.006 0.000 2.430 478 A HA 0.861 5.182 4.320 0.001 0.000 0.300 478 A C -0.464 177.117 177.584 -0.004 0.000 1.124 478 A CA -0.842 51.187 52.037 -0.013 0.000 0.766 478 A CB 1.759 20.733 19.000 -0.043 0.000 1.328 478 A HN 0.798 nan 8.150 nan 0.000 0.424 479 K N 0.542 120.940 120.400 -0.002 0.000 2.352 479 K HA 0.555 4.876 4.320 0.001 0.000 0.240 479 K C -0.684 175.912 176.600 -0.007 0.000 1.017 479 K CA -0.841 55.446 56.287 -0.001 0.000 0.851 479 K CB 1.240 33.743 32.500 0.005 0.000 1.261 479 K HN 0.438 nan 8.250 nan 0.000 0.451 480 N N 0.881 119.578 118.700 -0.005 0.000 2.455 480 N HA 0.285 5.025 4.740 0.001 0.000 0.280 480 N C -1.543 173.964 175.510 -0.006 0.000 1.055 480 N CA -0.400 52.646 53.050 -0.007 0.000 0.961 480 N CB 1.350 39.835 38.487 -0.003 0.000 1.121 480 N HN 0.431 nan 8.380 nan 0.000 0.476 481 V N 3.629 123.538 119.914 -0.009 0.000 2.568 481 V HA 0.213 4.333 4.120 0.001 0.000 0.276 481 V C -0.416 175.670 176.094 -0.012 0.000 1.002 481 V CA -0.696 61.598 62.300 -0.010 0.000 0.879 481 V CB 1.001 32.816 31.823 -0.014 0.000 1.040 481 V HN 0.705 nan 8.190 nan 0.000 0.457 482 E N 3.015 123.210 120.200 -0.009 0.000 2.340 482 E HA -0.239 4.112 4.350 0.001 0.000 0.240 482 E C 1.304 177.898 176.600 -0.010 0.000 1.154 482 E CA 1.138 57.533 56.400 -0.009 0.000 0.717 482 E CB -1.311 28.382 29.700 -0.011 0.000 1.250 482 E HN 1.711 nan 8.360 nan 0.000 0.386 483 G N -1.835 106.959 108.800 -0.009 0.000 2.184 483 G HA2 -0.384 3.576 3.960 0.001 0.000 0.264 483 G HA3 -0.384 3.576 3.960 0.001 0.000 0.264 483 G C 0.476 175.368 174.900 -0.014 0.000 0.975 483 G CA 0.781 45.875 45.100 -0.010 0.000 0.642 483 G HN 0.899 nan 8.290 nan 0.000 0.536 484 V N -1.942 117.963 119.914 -0.016 0.000 2.715 484 V HA 0.850 4.971 4.120 0.001 0.000 0.310 484 V C 0.278 176.358 176.094 -0.022 0.000 1.054 484 V CA -1.781 60.507 62.300 -0.020 0.000 0.928 484 V CB 2.067 33.878 31.823 -0.021 0.000 1.007 484 V HN 0.165 nan 8.190 nan 0.000 0.437 485 L N 3.583 124.789 121.223 -0.029 0.000 2.278 485 L HA 0.498 4.838 4.340 0.001 0.000 0.287 485 L C 0.232 177.081 176.870 -0.036 0.000 1.072 485 L CA 0.209 55.029 54.840 -0.033 0.000 0.819 485 L CB 0.435 42.468 42.059 -0.043 0.000 1.176 485 L HN 0.740 nan 8.230 nan 0.000 0.435 486 K N 6.460 126.845 120.400 -0.026 0.000 2.323 486 K HA 0.468 4.788 4.320 0.001 0.000 0.259 486 K C -2.373 174.220 176.600 -0.011 0.000 0.947 486 K CA -1.763 54.511 56.287 -0.021 0.000 0.819 486 K CB 1.855 34.348 32.500 -0.010 0.000 1.109 486 K HN 0.344 nan 8.250 nan 0.000 0.429 487 P HA -0.038 nan 4.420 nan 0.000 0.266 487 P C -0.726 176.638 177.300 0.107 0.000 1.193 487 P CA 0.230 63.330 63.100 -0.001 0.000 0.770 487 P CB 0.687 32.322 31.700 -0.108 0.000 0.836 488 L N 1.423 122.725 121.223 0.132 0.000 2.332 488 L HA 0.722 5.063 4.340 0.001 0.000 0.269 488 L C 1.112 178.078 176.870 0.160 0.000 1.016 488 L CA -0.351 54.563 54.840 0.124 0.000 0.809 488 L CB 1.744 43.850 42.059 0.079 0.000 1.280 488 L HN 0.440 nan 8.230 nan 0.000 0.447 489 T N -0.394 114.194 114.554 0.058 0.000 2.754 489 T HA 0.699 5.050 4.350 0.001 0.000 0.296 489 T C -0.852 173.825 174.700 -0.038 0.000 1.205 489 T CA -0.076 62.005 62.100 -0.031 0.000 1.009 489 T CB 1.344 70.127 68.868 -0.141 0.000 1.368 489 T HN 0.740 nan 8.240 nan 0.000 0.509 490 A N 1.621 124.400 122.820 -0.069 0.000 2.475 490 A HA 0.510 4.831 4.320 0.001 0.000 0.239 490 A C 0.234 177.768 177.584 -0.083 0.000 1.087 490 A CA 0.504 52.514 52.037 -0.046 0.000 0.779 490 A CB -0.478 18.496 19.000 -0.043 0.000 1.036 490 A HN 0.935 nan 8.150 nan 0.000 0.506 491 D N -1.788 118.583 120.400 -0.048 0.000 2.689 491 D HA 0.478 5.118 4.640 0.001 0.000 0.255 491 D C -1.335 174.945 176.300 -0.034 0.000 1.113 491 D CA -0.476 53.447 54.000 -0.129 0.000 1.115 491 D CB 0.075 40.856 40.800 -0.031 0.000 1.334 491 D HN 0.298 nan 8.370 nan 0.000 0.621 492 Y N -0.064 120.249 120.300 0.022 0.000 2.353 492 Y HA 0.388 4.939 4.550 0.001 0.000 0.340 492 Y C -0.382 175.607 175.900 0.150 0.000 0.972 492 Y CA -0.929 57.216 58.100 0.075 0.000 1.157 492 Y CB 0.915 39.424 38.460 0.082 0.000 1.157 492 Y HN 0.117 nan 8.280 nan 0.000 0.495 493 D N 3.414 124.038 120.400 0.374 0.000 2.280 493 D HA 0.290 4.930 4.640 0.001 0.000 0.236 493 D C -0.665 175.836 176.300 0.336 0.000 1.082 493 D CA -0.473 53.694 54.000 0.279 0.000 0.834 493 D CB 1.512 42.486 40.800 0.289 0.000 1.100 493 D HN 0.265 nan 8.370 nan 0.000 0.486 494 L N 2.700 124.015 121.223 0.153 0.000 2.367 494 L HA 0.163 4.503 4.340 0.001 0.000 0.275 494 L C 1.071 178.001 176.870 0.098 0.000 1.129 494 L CA 0.085 54.919 54.840 -0.010 0.000 0.839 494 L CB 0.379 42.337 42.059 -0.168 0.000 1.133 494 L HN 0.425 nan 8.230 nan 0.000 0.453 495 F N 3.175 123.119 119.950 -0.009 0.000 2.179 495 F HA 0.458 4.986 4.527 0.001 0.000 0.292 495 F C 0.880 176.679 175.800 -0.002 0.000 1.089 495 F CA 0.801 58.836 58.000 0.058 0.000 1.295 495 F CB 0.332 39.400 39.000 0.112 0.000 1.041 495 F HN 0.492 nan 8.300 nan 0.000 0.487 496 A N 0.040 122.770 122.820 -0.149 0.000 2.581 496 A HA 0.677 4.998 4.320 0.001 0.000 0.290 496 A C -1.898 175.635 177.584 -0.085 0.000 1.119 496 A CA -0.694 51.196 52.037 -0.245 0.000 0.670 496 A CB 1.085 19.997 19.000 -0.145 0.000 1.280 496 A HN 0.158 nan 8.150 nan 0.000 0.425 497 L N 0.082 121.285 121.223 -0.035 0.000 2.476 497 L HA 0.681 5.021 4.340 0.001 0.000 0.269 497 L C -0.295 176.749 176.870 0.290 0.000 0.965 497 L CA -0.547 54.380 54.840 0.145 0.000 0.845 497 L CB 2.144 44.333 42.059 0.218 0.000 1.259 497 L HN 0.968 nan 8.230 nan 0.000 0.403 498 A N 5.226 128.224 122.820 0.296 0.000 2.360 498 A HA 0.808 5.128 4.320 0.001 0.000 0.309 498 A C -2.736 175.021 177.584 0.289 0.000 1.311 498 A CA -1.348 50.878 52.037 0.315 0.000 0.805 498 A CB 0.801 19.976 19.000 0.292 0.000 1.144 498 A HN 0.285 nan 8.150 nan 0.000 0.486 499 P HA 0.328 nan 4.420 nan 0.000 0.293 499 P C 0.007 177.365 177.300 0.096 0.000 1.291 499 P CA -0.258 62.842 63.100 0.000 0.000 0.867 499 P CB 1.779 33.167 31.700 -0.520 0.000 1.074 500 S N 2.819 118.521 115.700 0.004 0.000 2.564 500 S HA 0.083 4.554 4.470 0.001 0.000 0.278 500 S C 1.722 176.154 174.600 -0.280 0.000 1.333 500 S CA -0.657 57.302 58.200 -0.401 0.000 1.048 500 S CB -0.047 62.812 63.200 -0.568 0.000 0.900 500 S HN 0.247 nan 8.310 nan 0.000 0.505 501 L N 2.694 123.761 121.223 -0.259 0.000 2.034 501 L HA -0.187 4.154 4.340 0.001 0.000 0.217 501 L C 3.143 179.889 176.870 -0.208 0.000 1.077 501 L CA 2.683 57.409 54.840 -0.191 0.000 0.769 501 L CB -2.878 39.096 42.059 -0.141 0.000 0.890 501 L HN 1.110 nan 8.230 nan 0.000 0.435 502 T N -2.124 112.301 114.554 -0.214 0.000 2.653 502 T HA -0.293 4.058 4.350 0.001 0.000 0.268 502 T C 1.769 176.349 174.700 -0.199 0.000 1.035 502 T CA 1.678 63.657 62.100 -0.201 0.000 1.154 502 T CB -0.406 68.355 68.868 -0.179 0.000 0.862 502 T HN 0.217 nan 8.240 nan 0.000 0.441 503 E N 0.947 121.030 120.200 -0.195 0.000 2.204 503 E HA 0.011 4.361 4.350 0.001 0.000 0.195 503 E C 1.911 178.386 176.600 -0.208 0.000 0.990 503 E CA 0.896 57.190 56.400 -0.177 0.000 0.821 503 E CB -0.635 28.968 29.700 -0.161 0.000 0.750 503 E HN 0.743 nan 8.360 nan 0.000 0.477 504 I N -0.289 120.131 120.570 -0.249 0.000 2.584 504 I HA -0.136 4.035 4.170 0.001 0.000 0.255 504 I C 2.077 178.075 176.117 -0.198 0.000 1.145 504 I CA 0.523 61.673 61.300 -0.251 0.000 1.462 504 I CB -0.112 37.723 38.000 -0.274 0.000 1.102 504 I HN 0.072 nan 8.210 nan 0.000 0.433 505 K N 2.220 122.476 120.400 -0.241 0.000 2.044 505 K HA -0.217 4.104 4.320 0.001 0.000 0.210 505 K C 1.723 178.146 176.600 -0.296 0.000 1.049 505 K CA 1.783 57.872 56.287 -0.330 0.000 0.927 505 K CB -0.240 32.031 32.500 -0.382 0.000 0.713 505 K HN 0.135 nan 8.250 nan 0.000 0.443 506 K N -0.056 120.213 120.400 -0.217 0.000 2.589 506 K HA -0.182 4.139 4.320 0.001 0.000 0.195 506 K C 1.738 178.268 176.600 -0.117 0.000 1.040 506 K CA 1.107 57.299 56.287 -0.159 0.000 0.950 506 K CB -0.052 32.380 32.500 -0.113 0.000 0.781 506 K HN 0.239 nan 8.250 nan 0.000 0.486 507 Q N 0.505 120.234 119.800 -0.118 0.000 2.378 507 Q HA 0.183 4.523 4.340 0.001 0.000 0.216 507 Q C 0.036 175.938 176.000 -0.163 0.000 0.892 507 Q CA 0.106 55.902 55.803 -0.011 0.000 0.931 507 Q CB 0.611 29.417 28.738 0.114 0.000 1.086 507 Q HN 0.208 nan 8.270 nan 0.000 0.528 508 I N 3.031 123.353 120.570 -0.413 0.000 2.428 508 I HA 0.267 4.437 4.170 0.001 0.000 0.289 508 I C -1.976 173.853 176.117 -0.479 0.000 1.019 508 I CA -2.274 58.534 61.300 -0.819 0.000 1.351 508 I CB 1.009 38.644 38.000 -0.608 0.000 1.412 508 I HN 0.019 nan 8.210 nan 0.000 0.513 509 P HA -0.024 nan 4.420 nan 0.000 0.271 509 P C -0.368 176.894 177.300 -0.063 0.000 1.233 509 P CA -0.341 62.670 63.100 -0.149 0.000 0.764 509 P CB 0.849 32.514 31.700 -0.057 0.000 0.825 510 Q N 2.905 122.687 119.800 -0.030 0.000 2.185 510 Q HA -0.072 4.269 4.340 0.001 0.000 0.179 510 Q C 0.663 176.719 176.000 0.093 0.000 0.810 510 Q CA 1.158 56.990 55.803 0.048 0.000 1.021 510 Q CB -0.707 28.043 28.738 0.020 0.000 1.244 510 Q HN 0.472 nan 8.270 nan 0.000 0.404 511 K N -1.646 118.809 120.400 0.092 0.000 2.614 511 K HA 0.056 4.376 4.320 0.001 0.000 0.183 511 K C 0.860 177.498 176.600 0.065 0.000 1.792 511 K CA 0.293 56.620 56.287 0.066 0.000 1.211 511 K CB 0.335 32.861 32.500 0.043 0.000 1.735 511 K HN 0.188 nan 8.250 nan 0.000 0.587 512 E N -0.199 120.048 120.200 0.077 0.000 2.170 512 E HA -0.111 4.239 4.350 0.001 0.000 0.191 512 E C 1.251 177.919 176.600 0.114 0.000 0.981 512 E CA 0.747 57.196 56.400 0.082 0.000 0.830 512 E CB 0.141 29.890 29.700 0.083 0.000 0.775 512 E HN 0.276 nan 8.360 nan 0.000 0.470 513 W N 2.040 123.301 121.300 -0.064 0.000 2.444 513 W HA -0.088 4.572 4.660 0.001 0.000 0.308 513 W C 1.586 178.083 176.519 -0.037 0.000 1.183 513 W CA 1.325 58.634 57.345 -0.059 0.000 1.340 513 W CB -0.223 29.185 29.460 -0.087 0.000 1.138 513 W HN 0.009 nan 8.180 nan 0.000 0.510 514 D N 0.322 120.727 120.400 0.009 0.000 2.133 514 D HA -0.277 4.363 4.640 0.001 0.000 0.195 514 D C 1.959 178.147 176.300 -0.186 0.000 0.997 514 D CA 1.892 55.795 54.000 -0.161 0.000 0.840 514 D CB -0.525 40.269 40.800 -0.010 0.000 0.947 514 D HN 0.265 nan 8.370 nan 0.000 0.452 515 K N 1.292 121.636 120.400 -0.093 0.000 2.063 515 K HA -0.149 4.172 4.320 0.001 0.000 0.208 515 K C 2.086 178.615 176.600 -0.118 0.000 1.048 515 K CA 1.076 57.317 56.287 -0.077 0.000 0.928 515 K CB 0.012 32.496 32.500 -0.026 0.000 0.713 515 K HN -0.020 nan 8.250 nan 0.000 0.442 516 V N 1.036 120.857 119.914 -0.156 0.000 2.231 516 V HA -0.219 3.902 4.120 0.001 0.000 0.240 516 V C 2.491 178.429 176.094 -0.260 0.000 1.039 516 V CA 1.610 63.809 62.300 -0.169 0.000 0.998 516 V CB -0.555 31.183 31.823 -0.142 0.000 0.639 516 V HN 0.136 nan 8.190 nan 0.000 0.451 517 V N 0.534 120.158 119.914 -0.483 0.000 2.311 517 V HA -0.365 3.756 4.120 0.001 0.000 0.259 517 V C 1.273 177.184 176.094 -0.305 0.000 1.086 517 V CA 2.389 64.371 62.300 -0.530 0.000 1.078 517 V CB -1.209 30.065 31.823 -0.914 0.000 0.668 517 V HN 0.655 nan 8.190 nan 0.000 0.452 518 N N 0.005 118.554 118.700 -0.250 0.000 3.250 518 N HA 0.162 4.903 4.740 0.001 0.000 0.307 518 N C -0.477 174.967 175.510 -0.109 0.000 1.355 518 N CA -0.162 52.794 53.050 -0.155 0.000 1.192 518 N CB 0.216 38.626 38.487 -0.129 0.000 1.478 518 N HN 0.387 nan 8.380 nan 0.000 0.543 519 T N 0.057 114.549 114.554 -0.102 0.000 2.824 519 T HA 0.227 4.577 4.350 0.001 0.000 0.282 519 T C -1.560 173.107 174.700 -0.055 0.000 0.993 519 T CA -1.280 60.779 62.100 -0.069 0.000 0.967 519 T CB 2.268 71.099 68.868 -0.063 0.000 0.960 519 T HN 0.030 nan 8.240 nan 0.000 0.441 520 P HA -0.043 nan 4.420 nan 0.000 0.214 520 P C 0.481 177.767 177.300 -0.023 0.000 1.162 520 P CA 0.596 63.677 63.100 -0.031 0.000 0.879 520 P CB 0.131 31.816 31.700 -0.025 0.000 0.786 521 N N -0.482 118.208 118.700 -0.016 0.000 2.475 521 N HA -0.014 4.727 4.740 0.001 0.000 0.267 521 N C 1.097 176.603 175.510 -0.008 0.000 1.169 521 N CA 0.481 53.528 53.050 -0.004 0.000 0.947 521 N CB 0.658 39.148 38.487 0.004 0.000 1.061 521 N HN -0.022 nan 8.380 nan 0.000 0.466 522 S N 3.742 119.443 115.700 0.001 0.000 2.395 522 S HA -0.111 4.360 4.470 0.001 0.000 0.225 522 S C 1.831 176.433 174.600 0.003 0.000 1.027 522 S CA 0.216 58.415 58.200 -0.002 0.000 0.965 522 S CB -0.285 62.919 63.200 0.006 0.000 0.812 522 S HN 0.483 nan 8.310 nan 0.000 0.482 523 L N 1.899 123.129 121.223 0.011 0.000 2.187 523 L HA 0.060 4.401 4.340 0.001 0.000 0.213 523 L C 2.423 179.286 176.870 -0.012 0.000 1.100 523 L CA 1.945 56.783 54.840 -0.003 0.000 0.765 523 L CB -0.668 41.375 42.059 -0.027 0.000 0.904 523 L HN 0.417 nan 8.230 nan 0.000 0.437 524 E N -1.264 118.929 120.200 -0.012 0.000 2.447 524 E HA -0.098 4.253 4.350 0.001 0.000 0.195 524 E C 2.061 178.652 176.600 -0.015 0.000 1.028 524 E CA 0.412 56.804 56.400 -0.013 0.000 0.876 524 E CB 0.053 29.745 29.700 -0.014 0.000 0.885 524 E HN 0.335 nan 8.360 nan 0.000 0.500 525 K N 0.043 120.432 120.400 -0.018 0.000 2.007 525 K HA -0.126 4.194 4.320 0.001 0.000 0.206 525 K C 1.997 178.588 176.600 -0.015 0.000 1.047 525 K CA 1.190 57.459 56.287 -0.031 0.000 0.937 525 K CB 0.017 32.494 32.500 -0.039 0.000 0.718 525 K HN 0.125 nan 8.250 nan 0.000 0.438 526 Q N 0.827 120.626 119.800 -0.001 0.000 1.956 526 Q HA -0.257 4.083 4.340 0.001 0.000 0.208 526 Q C 2.189 178.203 176.000 0.023 0.000 0.998 526 Q CA 2.289 58.101 55.803 0.016 0.000 0.855 526 Q CB -0.237 28.513 28.738 0.019 0.000 0.928 526 Q HN 0.261 nan 8.270 nan 0.000 0.418 527 K N -0.075 120.335 120.400 0.017 0.000 2.077 527 K HA -0.216 4.105 4.320 0.001 0.000 0.213 527 K C 1.942 178.559 176.600 0.028 0.000 1.051 527 K CA 1.827 58.126 56.287 0.020 0.000 0.929 527 K CB -0.563 31.942 32.500 0.009 0.000 0.715 527 K HN 0.315 nan 8.250 nan 0.000 0.451 528 G N 0.012 108.824 108.800 0.020 0.000 2.471 528 G HA2 -0.131 3.830 3.960 0.001 0.000 0.219 528 G HA3 -0.131 3.830 3.960 0.001 0.000 0.219 528 G C 1.370 176.303 174.900 0.055 0.000 1.125 528 G CA 0.725 45.842 45.100 0.029 0.000 0.775 528 G HN 0.241 nan 8.290 nan 0.000 0.548 529 V N 0.456 120.403 119.914 0.055 0.000 2.379 529 V HA -0.088 4.033 4.120 0.001 0.000 0.243 529 V C 3.064 179.224 176.094 0.111 0.000 1.035 529 V CA 2.133 64.494 62.300 0.102 0.000 1.035 529 V CB -0.613 31.265 31.823 0.092 0.000 0.673 529 V HN 0.328 nan 8.190 nan 0.000 0.457 530 T N 0.153 114.754 114.554 0.078 0.000 2.720 530 T HA -0.215 4.136 4.350 0.001 0.000 0.268 530 T C 1.688 176.432 174.700 0.073 0.000 1.037 530 T CA 1.916 64.058 62.100 0.069 0.000 1.144 530 T CB -0.481 68.417 68.868 0.049 0.000 0.864 530 T HN 0.518 nan 8.240 nan 0.000 0.444 531 N N 0.392 119.134 118.700 0.070 0.000 2.381 531 N HA 0.061 4.802 4.740 0.001 0.000 0.182 531 N C 1.689 177.269 175.510 0.116 0.000 1.025 531 N CA 0.453 53.545 53.050 0.071 0.000 0.888 531 N CB -0.103 38.418 38.487 0.057 0.000 0.965 531 N HN 0.318 nan 8.380 nan 0.000 0.438 532 L N 0.218 121.535 121.223 0.156 0.000 2.131 532 L HA -0.091 4.249 4.340 0.001 0.000 0.206 532 L C 2.169 179.186 176.870 0.244 0.000 1.087 532 L CA 0.348 55.334 54.840 0.244 0.000 0.767 532 L CB -0.146 42.059 42.059 0.244 0.000 0.917 532 L HN 0.217 nan 8.230 nan 0.000 0.441 533 L N 0.176 121.494 121.223 0.157 0.000 2.017 533 L HA -0.198 4.142 4.340 0.001 0.000 0.208 533 L C 2.280 179.218 176.870 0.113 0.000 1.073 533 L CA 1.748 56.661 54.840 0.121 0.000 0.745 533 L CB -0.343 41.767 42.059 0.086 0.000 0.894 533 L HN 0.079 nan 8.230 nan 0.000 0.432 534 I N -0.433 120.186 120.570 0.082 0.000 2.099 534 I HA -0.366 3.804 4.170 0.001 0.000 0.239 534 I C 2.572 178.705 176.117 0.027 0.000 1.066 534 I CA 1.857 63.179 61.300 0.037 0.000 1.324 534 I CB -0.413 37.594 38.000 0.012 0.000 1.037 534 I HN 0.299 nan 8.210 nan 0.000 0.401 535 K N 0.419 120.837 120.400 0.032 0.000 2.063 535 K HA -0.220 4.100 4.320 0.001 0.000 0.208 535 K C 1.851 178.326 176.600 -0.209 0.000 1.048 535 K CA 1.941 58.175 56.287 -0.088 0.000 0.928 535 K CB -0.162 32.287 32.500 -0.085 0.000 0.713 535 K HN 0.277 nan 8.250 nan 0.000 0.442 536 Y N -1.804 118.536 120.300 0.067 0.000 2.462 536 Y HA 0.237 4.787 4.550 0.001 0.000 0.261 536 Y C 1.834 177.838 175.900 0.174 0.000 1.146 536 Y CA 0.343 58.501 58.100 0.096 0.000 1.283 536 Y CB 1.217 39.708 38.460 0.050 0.000 1.090 536 Y HN 0.222 nan 8.280 nan 0.000 0.526 537 G N -1.412 107.549 108.800 0.269 0.000 2.775 537 G HA2 0.043 4.004 3.960 0.001 0.000 0.198 537 G HA3 0.043 4.004 3.960 0.001 0.000 0.198 537 G C 1.104 176.265 174.900 0.434 0.000 1.121 537 G CA 0.161 45.452 45.100 0.318 0.000 0.686 537 G HN 0.097 nan 8.290 nan 0.000 0.782 538 I N 1.064 121.742 120.570 0.179 0.000 2.260 538 I HA 0.148 4.318 4.170 0.001 0.000 0.237 538 I C 1.234 177.275 176.117 -0.127 0.000 1.075 538 I CA 0.163 61.479 61.300 0.027 0.000 1.376 538 I CB -0.148 37.826 38.000 -0.043 0.000 1.107 538 I HN 0.130 nan 8.210 nan 0.000 0.420 539 E N 2.511 122.645 120.200 -0.110 0.000 2.653 539 E HA -0.107 4.244 4.350 0.001 0.000 0.264 539 E C -0.313 176.174 176.600 -0.189 0.000 0.949 539 E CA 0.495 56.799 56.400 -0.160 0.000 0.953 539 E CB 0.437 30.063 29.700 -0.123 0.000 0.925 539 E HN 0.179 nan 8.360 nan 0.000 0.475 540 R N 3.057 123.422 120.500 -0.224 0.000 2.807 540 R HA 0.506 4.846 4.340 0.001 0.000 0.276 540 R C -0.726 175.477 176.300 -0.161 0.000 0.979 540 R CA -0.764 55.207 56.100 -0.216 0.000 0.928 540 R CB 1.949 32.091 30.300 -0.264 0.000 1.191 540 R HN 0.363 nan 8.270 nan 0.000 0.471 541 K N 1.445 121.764 120.400 -0.136 0.000 2.477 541 K HA 0.433 4.753 4.320 0.001 0.000 0.255 541 K C -2.683 173.868 176.600 -0.082 0.000 0.952 541 K CA -2.076 54.150 56.287 -0.102 0.000 0.826 541 K CB 2.608 35.054 32.500 -0.090 0.000 1.331 541 K HN 0.350 nan 8.250 nan 0.000 0.437 542 P HA 0.021 nan 4.420 nan 0.000 0.276 542 P C -1.227 176.053 177.300 -0.033 0.000 1.235 542 P CA 0.137 63.211 63.100 -0.043 0.000 0.772 542 P CB 0.800 32.480 31.700 -0.033 0.000 0.871 543 D N 1.740 122.126 120.400 -0.023 0.000 2.269 543 D HA 0.107 4.748 4.640 0.001 0.000 0.244 543 D C 1.322 177.623 176.300 0.003 0.000 0.992 543 D CA -0.389 53.603 54.000 -0.013 0.000 0.894 543 D CB 2.064 42.855 40.800 -0.015 0.000 1.248 543 D HN 0.243 nan 8.370 nan 0.000 0.468 544 S N 1.974 117.678 115.700 0.007 0.000 2.377 544 S HA -0.267 4.203 4.470 0.001 0.000 0.224 544 S C 1.633 176.249 174.600 0.026 0.000 1.042 544 S CA 2.558 60.769 58.200 0.017 0.000 1.086 544 S CB -0.927 62.284 63.200 0.018 0.000 0.995 544 S HN 0.691 nan 8.310 nan 0.000 0.428 545 T N -1.833 112.737 114.554 0.027 0.000 2.971 545 T HA 0.359 4.709 4.350 0.001 0.000 0.252 545 T C 1.166 175.902 174.700 0.060 0.000 1.022 545 T CA -0.271 61.850 62.100 0.035 0.000 0.980 545 T CB -0.102 68.783 68.868 0.028 0.000 1.044 545 T HN 0.398 nan 8.240 nan 0.000 0.501 546 K N 1.798 122.231 120.400 0.054 0.000 2.437 546 K HA 0.442 4.762 4.320 0.001 0.000 0.198 546 K C 1.397 178.042 176.600 0.076 0.000 1.024 546 K CA 0.087 56.422 56.287 0.081 0.000 1.148 546 K CB -0.017 32.505 32.500 0.038 0.000 0.860 546 K HN 0.517 nan 8.250 nan 0.000 0.515 547 G N 1.278 110.105 108.800 0.046 0.000 2.633 547 G HA2 -0.291 3.669 3.960 0.001 0.000 0.263 547 G HA3 -0.291 3.669 3.960 0.001 0.000 0.263 547 G C -0.281 174.617 174.900 -0.003 0.000 1.310 547 G CA -0.444 44.669 45.100 0.023 0.000 0.914 547 G HN 0.205 nan 8.290 nan 0.000 0.569 548 T N 1.772 116.314 114.554 -0.020 0.000 2.752 548 T HA 0.522 4.873 4.350 0.001 0.000 0.295 548 T C 0.068 174.720 174.700 -0.079 0.000 0.923 548 T CA 0.874 62.941 62.100 -0.054 0.000 1.112 548 T CB 0.112 68.941 68.868 -0.065 0.000 0.884 548 T HN 1.223 nan 8.240 nan 0.000 0.525 549 L N 1.229 122.384 121.223 -0.114 0.000 2.600 549 L HA 0.799 5.140 4.340 0.001 0.000 0.257 549 L C 0.251 176.983 176.870 -0.229 0.000 1.048 549 L CA -1.399 53.334 54.840 -0.179 0.000 0.869 549 L CB 0.679 42.635 42.059 -0.173 0.000 1.482 549 L HN 0.512 nan 8.230 nan 0.000 0.408 550 S N -0.643 114.841 115.700 -0.359 0.000 2.671 550 S HA 0.472 4.943 4.470 0.001 0.000 0.272 550 S C 0.395 174.812 174.600 -0.306 0.000 1.174 550 S CA -0.370 57.612 58.200 -0.362 0.000 1.004 550 S CB 0.603 63.466 63.200 -0.562 0.000 1.077 550 S HN 0.669 nan 8.310 nan 0.000 0.553 551 N N 0.803 119.394 118.700 -0.181 0.000 2.290 551 N HA 0.013 4.754 4.740 0.001 0.000 0.179 551 N C 1.750 177.271 175.510 0.017 0.000 1.016 551 N CA 1.322 54.336 53.050 -0.059 0.000 0.871 551 N CB -0.427 38.069 38.487 0.015 0.000 0.987 551 N HN 0.902 nan 8.380 nan 0.000 0.431 552 W N 1.688 122.998 121.300 0.018 0.000 2.421 552 W HA -0.023 4.638 4.660 0.001 0.000 0.270 552 W C 1.151 177.679 176.519 0.014 0.000 1.233 552 W CA 0.252 57.612 57.345 0.025 0.000 1.226 552 W CB -0.708 28.775 29.460 0.038 0.000 1.121 552 W HN 0.104 nan 8.180 nan 0.000 0.579 553 Q N 1.239 120.761 119.800 -0.464 0.000 2.083 553 Q HA -0.107 4.233 4.340 0.001 0.000 0.198 553 Q C 2.381 178.274 176.000 -0.178 0.000 0.969 553 Q CA 1.480 56.995 55.803 -0.479 0.000 0.838 553 Q CB -0.143 28.151 28.738 -0.740 0.000 0.900 553 Q HN 0.309 nan 8.270 nan 0.000 0.436 554 K N 0.667 120.983 120.400 -0.140 0.000 2.063 554 K HA -0.204 4.116 4.320 0.001 0.000 0.208 554 K C 2.094 178.690 176.600 -0.008 0.000 1.048 554 K CA 1.373 57.623 56.287 -0.062 0.000 0.928 554 K CB -0.082 32.391 32.500 -0.046 0.000 0.713 554 K HN 0.260 nan 8.250 nan 0.000 0.442 555 Q N 0.318 120.137 119.800 0.031 0.000 2.046 555 Q HA -0.151 4.190 4.340 0.001 0.000 0.200 555 Q C 2.176 178.215 176.000 0.065 0.000 0.975 555 Q CA 1.468 57.308 55.803 0.062 0.000 0.836 555 Q CB -0.185 28.613 28.738 0.100 0.000 0.896 555 Q HN 0.199 nan 8.270 nan 0.000 0.428 556 M N 0.610 120.264 119.600 0.089 0.000 2.108 556 M HA -0.172 4.308 4.480 0.001 0.000 0.261 556 M C 1.700 178.012 176.300 0.020 0.000 1.066 556 M CA 1.468 56.816 55.300 0.080 0.000 1.107 556 M CB -0.414 32.269 32.600 0.137 0.000 1.356 556 M HN 0.189 nan 8.290 nan 0.000 0.406 557 L N 0.520 121.740 121.223 -0.006 0.000 1.970 557 L HA -0.245 4.095 4.340 0.001 0.000 0.212 557 L C 1.884 178.764 176.870 0.017 0.000 1.071 557 L CA 2.362 57.193 54.840 -0.016 0.000 0.751 557 L CB -1.178 40.863 42.059 -0.030 0.000 0.889 557 L HN 0.334 nan 8.230 nan 0.000 0.432 558 D N -1.354 119.062 120.400 0.027 0.000 2.116 558 D HA -0.182 4.459 4.640 0.001 0.000 0.193 558 D C 2.296 178.631 176.300 0.058 0.000 0.998 558 D CA 0.980 55.006 54.000 0.044 0.000 0.836 558 D CB -0.087 40.737 40.800 0.040 0.000 0.951 558 D HN 0.134 nan 8.370 nan 0.000 0.449 559 R N 0.219 120.752 120.500 0.054 0.000 2.094 559 R HA -0.112 4.229 4.340 0.001 0.000 0.239 559 R C 2.573 178.927 176.300 0.090 0.000 1.137 559 R CA 0.700 56.839 56.100 0.064 0.000 0.943 559 R CB -1.181 29.154 30.300 0.058 0.000 0.850 559 R HN 0.319 nan 8.270 nan 0.000 0.433 560 L N 1.189 122.452 121.223 0.066 0.000 2.013 560 L HA -0.244 4.096 4.340 0.001 0.000 0.212 560 L C 2.213 179.211 176.870 0.212 0.000 1.073 560 L CA 1.407 56.300 54.840 0.087 0.000 0.753 560 L CB -0.562 41.445 42.059 -0.088 0.000 0.890 560 L HN 0.250 nan 8.230 nan 0.000 0.432 561 N N -0.253 118.535 118.700 0.147 0.000 2.166 561 N HA -0.176 4.564 4.740 0.001 0.000 0.186 561 N C 1.715 177.323 175.510 0.163 0.000 1.019 561 N CA 1.194 54.340 53.050 0.158 0.000 0.856 561 N CB -0.115 38.442 38.487 0.116 0.000 0.993 561 N HN 0.470 nan 8.380 nan 0.000 0.426 562 E N 1.134 121.419 120.200 0.140 0.000 2.051 562 E HA -0.124 4.227 4.350 0.001 0.000 0.192 562 E C 2.068 178.772 176.600 0.173 0.000 0.991 562 E CA 1.106 57.587 56.400 0.135 0.000 0.799 562 E CB -0.123 29.634 29.700 0.095 0.000 0.748 562 E HN 0.320 nan 8.360 nan 0.000 0.449 563 A N 1.239 124.173 122.820 0.191 0.000 1.892 563 A HA -0.226 4.095 4.320 0.001 0.000 0.218 563 A C 2.574 180.287 177.584 0.215 0.000 1.188 563 A CA 2.263 54.435 52.037 0.225 0.000 0.631 563 A CB -1.069 18.115 19.000 0.306 0.000 0.822 563 A HN 0.262 nan 8.150 nan 0.000 0.447 564 V N -2.645 117.366 119.914 0.162 0.000 2.591 564 V HA -0.107 4.013 4.120 0.001 0.000 0.249 564 V C 1.986 178.142 176.094 0.104 0.000 1.053 564 V CA 2.115 64.411 62.300 -0.007 0.000 1.068 564 V CB -0.821 30.811 31.823 -0.317 0.000 0.689 564 V HN 0.470 nan 8.190 nan 0.000 0.462 565 K N -0.463 120.039 120.400 0.170 0.000 2.097 565 K HA -0.129 4.191 4.320 0.001 0.000 0.206 565 K C 2.109 178.806 176.600 0.161 0.000 1.049 565 K CA 1.958 58.346 56.287 0.169 0.000 0.933 565 K CB -0.483 32.110 32.500 0.155 0.000 0.717 565 K HN 0.579 nan 8.250 nan 0.000 0.442 566 Y N 1.781 122.122 120.300 0.069 0.000 2.274 566 Y HA -0.233 4.317 4.550 0.001 0.000 0.290 566 Y C 2.381 178.316 175.900 0.059 0.000 1.145 566 Y CA 1.798 59.934 58.100 0.059 0.000 1.203 566 Y CB -0.398 38.098 38.460 0.061 0.000 0.984 566 Y HN 0.183 nan 8.280 nan 0.000 0.533 567 T N -4.163 110.435 114.554 0.074 0.000 3.023 567 T HA 0.242 4.593 4.350 0.001 0.000 0.266 567 T C 1.736 176.445 174.700 0.014 0.000 1.093 567 T CA 1.069 63.185 62.100 0.027 0.000 1.129 567 T CB -0.179 68.753 68.868 0.106 0.000 0.899 567 T HN 0.482 nan 8.240 nan 0.000 0.491 568 G N -0.189 108.637 108.800 0.044 0.000 2.813 568 G HA2 -0.136 3.825 3.960 0.001 0.000 0.194 568 G HA3 -0.136 3.825 3.960 0.001 0.000 0.194 568 G C -0.119 174.832 174.900 0.084 0.000 1.010 568 G CA -0.255 44.869 45.100 0.038 0.000 0.771 568 G HN 0.563 nan 8.290 nan 0.000 0.485 569 Y N 3.672 123.996 120.300 0.040 0.000 2.852 569 Y HA 0.295 4.846 4.550 0.001 0.000 0.343 569 Y C 1.612 177.521 175.900 0.015 0.000 1.280 569 Y CA 1.520 59.646 58.100 0.044 0.000 1.604 569 Y CB 0.755 39.207 38.460 -0.013 0.000 1.216 569 Y HN 0.200 nan 8.280 nan 0.000 0.541 570 T N 1.039 115.251 114.554 -0.570 0.000 3.176 570 T HA 0.243 4.593 4.350 0.001 0.000 0.263 570 T C 1.400 175.721 174.700 -0.631 0.000 1.021 570 T CA 0.157 61.980 62.100 -0.461 0.000 0.905 570 T CB 0.194 68.919 68.868 -0.239 0.000 1.057 570 T HN 0.740 nan 8.240 nan 0.000 0.558 571 G N 0.249 108.228 108.800 -1.367 0.000 2.939 571 G HA2 0.530 4.490 3.960 0.001 0.000 0.210 571 G HA3 0.530 4.490 3.960 0.001 0.000 0.210 571 G C 0.921 175.667 174.900 -0.257 0.000 1.160 571 G CA 0.120 44.776 45.100 -0.740 0.000 0.770 571 G HN 0.947 nan 8.290 nan 0.000 0.543 572 G N 0.182 108.864 108.800 -0.197 0.000 2.659 572 G HA2 -0.176 3.785 3.960 0.001 0.000 0.214 572 G HA3 -0.176 3.785 3.960 0.001 0.000 0.214 572 G C -1.142 173.935 174.900 0.295 0.000 1.191 572 G CA -0.165 44.985 45.100 0.082 0.000 1.141 572 G HN 0.207 nan 8.290 nan 0.000 0.581 573 D N 0.286 120.810 120.400 0.207 0.000 2.304 573 D HA 0.477 5.117 4.640 0.001 0.000 0.247 573 D C 0.826 177.193 176.300 0.113 0.000 1.089 573 D CA 0.196 54.292 54.000 0.160 0.000 0.910 573 D CB 2.071 42.925 40.800 0.090 0.000 1.199 573 D HN 0.371 nan 8.370 nan 0.000 0.426 574 V N 1.770 121.681 119.914 -0.006 0.000 3.645 574 V HA 0.060 4.180 4.120 0.001 0.000 0.275 574 V C -0.117 175.937 176.094 -0.066 0.000 1.356 574 V CA 0.427 62.596 62.300 -0.218 0.000 1.051 574 V CB 0.847 32.432 31.823 -0.395 0.000 0.828 574 V HN 0.265 nan 8.190 nan 0.000 0.441 575 V N 1.788 121.726 119.914 0.040 0.000 2.531 575 V HA 0.524 4.644 4.120 0.001 0.000 0.301 575 V C -0.012 176.054 176.094 -0.047 0.000 1.034 575 V CA -0.508 61.807 62.300 0.025 0.000 0.865 575 V CB 1.761 33.625 31.823 0.069 0.000 0.995 575 V HN 0.388 nan 8.190 nan 0.000 0.424 576 N N 3.239 121.848 118.700 -0.152 0.000 2.170 576 N HA 0.201 4.942 4.740 0.001 0.000 0.222 576 N C -0.240 175.283 175.510 0.021 0.000 1.218 576 N CA 0.024 53.054 53.050 -0.034 0.000 0.889 576 N CB 0.937 39.479 38.487 0.092 0.000 1.083 576 N HN 1.005 nan 8.380 nan 0.000 0.520 577 H N -3.660 115.427 119.070 0.028 0.000 2.876 577 H HA 0.497 5.054 4.556 0.001 0.000 0.284 577 H C 0.433 175.751 175.328 -0.017 0.000 1.445 577 H CA -0.836 55.216 56.048 0.006 0.000 1.141 577 H CB -0.043 29.730 29.762 0.018 0.000 1.816 577 H HN -0.098 nan 8.280 nan 0.000 0.511 578 G N -0.394 108.491 108.800 0.142 0.000 2.443 578 G HA2 0.353 4.313 3.960 0.001 0.000 0.286 578 G HA3 0.353 4.313 3.960 0.001 0.000 0.286 578 G C 0.100 175.031 174.900 0.053 0.000 1.393 578 G CA 0.131 45.247 45.100 0.026 0.000 1.080 578 G HN 1.021 nan 8.290 nan 0.000 0.566 579 T N -3.454 111.080 114.554 -0.033 0.000 2.912 579 T HA 0.380 4.730 4.350 0.001 0.000 0.280 579 T C 1.045 175.719 174.700 -0.043 0.000 0.989 579 T CA 0.072 62.135 62.100 -0.061 0.000 0.995 579 T CB 1.807 70.558 68.868 -0.194 0.000 1.077 579 T HN 0.416 nan 8.240 nan 0.000 0.531 580 E N 0.018 120.181 120.200 -0.062 0.000 2.265 580 E HA -0.126 4.224 4.350 0.001 0.000 0.196 580 E C 1.870 178.385 176.600 -0.141 0.000 0.996 580 E CA 1.151 57.532 56.400 -0.031 0.000 0.832 580 E CB -0.350 29.398 29.700 0.081 0.000 0.756 580 E HN 0.561 nan 8.360 nan 0.000 0.491 581 Q N 0.160 119.780 119.800 -0.300 0.000 2.488 581 Q HA -0.051 4.289 4.340 0.001 0.000 0.211 581 Q C 0.382 176.297 176.000 -0.140 0.000 0.967 581 Q CA 0.776 56.373 55.803 -0.344 0.000 0.926 581 Q CB 0.258 28.646 28.738 -0.584 0.000 0.992 581 Q HN 0.396 nan 8.270 nan 0.000 0.506 582 D N -0.231 120.123 120.400 -0.076 0.000 2.431 582 D HA -0.003 4.638 4.640 0.001 0.000 0.213 582 D C -0.094 176.179 176.300 -0.044 0.000 1.130 582 D CA -0.033 53.939 54.000 -0.048 0.000 0.834 582 D CB 0.225 41.004 40.800 -0.034 0.000 0.985 582 D HN 0.072 nan 8.370 nan 0.000 0.504 583 N N 1.678 120.360 118.700 -0.030 0.000 2.868 583 N HA 0.024 4.765 4.740 0.001 0.000 0.252 583 N C 0.671 176.180 175.510 -0.001 0.000 1.130 583 N CA 0.111 53.167 53.050 0.010 0.000 1.026 583 N CB 0.339 38.856 38.487 0.050 0.000 1.335 583 N HN -0.007 nan 8.380 nan 0.000 0.516 584 E N 0.924 121.100 120.200 -0.041 0.000 2.318 584 E HA -0.022 4.328 4.350 0.001 0.000 0.193 584 E C 0.694 177.229 176.600 -0.110 0.000 0.998 584 E CA 0.465 56.827 56.400 -0.063 0.000 0.859 584 E CB 0.479 30.133 29.700 -0.077 0.000 0.812 584 E HN 0.641 nan 8.360 nan 0.000 0.492 585 E N 0.031 120.110 120.200 -0.202 0.000 2.060 585 E HA -0.009 4.341 4.350 0.001 0.000 0.189 585 E C 0.025 176.188 176.600 -0.728 0.000 0.974 585 E CA 0.664 56.749 56.400 -0.525 0.000 0.808 585 E CB 0.296 29.566 29.700 -0.717 0.000 0.768 585 E HN 0.136 nan 8.360 nan 0.000 0.453 586 F N 1.351 121.325 119.950 0.040 0.000 2.530 586 F HA 0.267 4.795 4.527 0.001 0.000 0.318 586 F C -2.284 173.544 175.800 0.047 0.000 1.356 586 F CA -2.141 55.883 58.000 0.041 0.000 1.135 586 F CB 1.126 40.145 39.000 0.032 0.000 1.315 586 F HN -0.163 nan 8.300 nan 0.000 0.549 587 P HA 0.042 nan 4.420 nan 0.000 0.270 587 P C -0.080 177.313 177.300 0.154 0.000 1.242 587 P CA 0.241 63.451 63.100 0.183 0.000 0.768 587 P CB 1.103 32.938 31.700 0.226 0.000 0.820 588 E N 2.914 123.204 120.200 0.151 0.000 2.351 588 E HA 0.238 4.588 4.350 0.001 0.000 0.255 588 E C 0.074 176.697 176.600 0.038 0.000 1.188 588 E CA -0.324 56.131 56.400 0.090 0.000 0.940 588 E CB 0.980 30.745 29.700 0.109 0.000 1.094 588 E HN 0.425 nan 8.360 nan 0.000 0.474 589 K N 1.590 121.945 120.400 -0.075 0.000 2.731 589 K HA 0.160 4.480 4.320 0.001 0.000 0.257 589 K C -1.531 174.959 176.600 -0.184 0.000 1.032 589 K CA -0.368 55.731 56.287 -0.315 0.000 0.983 589 K CB 0.709 32.809 32.500 -0.666 0.000 1.248 589 K HN 0.259 nan 8.250 nan 0.000 0.484 590 D N 2.784 123.184 120.400 -0.000 0.000 2.225 590 D HA 0.118 4.758 4.640 0.001 0.000 0.249 590 D C 0.460 176.819 176.300 0.098 0.000 1.052 590 D CA -0.542 53.484 54.000 0.045 0.000 0.909 590 D CB 1.544 42.388 40.800 0.073 0.000 1.186 590 D HN 0.487 nan 8.370 nan 0.000 0.431 591 N N 0.605 119.341 118.700 0.060 0.000 2.250 591 N HA -0.073 4.668 4.740 0.001 0.000 0.181 591 N C -0.233 175.320 175.510 0.072 0.000 1.017 591 N CA 0.894 53.993 53.050 0.082 0.000 0.866 591 N CB 0.430 38.943 38.487 0.042 0.000 0.985 591 N HN 0.546 nan 8.380 nan 0.000 0.429 592 E N 0.788 121.012 120.200 0.039 0.000 2.155 592 E HA 0.336 4.686 4.350 0.001 0.000 0.264 592 E C -0.599 175.999 176.600 -0.004 0.000 0.886 592 E CA -0.536 55.873 56.400 0.015 0.000 0.752 592 E CB 2.111 31.823 29.700 0.020 0.000 1.133 592 E HN -0.036 nan 8.360 nan 0.000 0.414 593 I N 2.771 123.304 120.570 -0.062 0.000 2.359 593 I HA 0.256 4.427 4.170 0.001 0.000 0.294 593 I C -0.321 175.815 176.117 0.032 0.000 0.987 593 I CA -0.952 60.299 61.300 -0.081 0.000 1.225 593 I CB 0.385 38.197 38.000 -0.313 0.000 1.366 593 I HN 0.536 nan 8.210 nan 0.000 0.466 594 F N 7.492 127.428 119.950 -0.024 0.000 2.390 594 F HA 0.512 5.039 4.527 0.001 0.000 0.361 594 F C -0.088 175.736 175.800 0.040 0.000 1.124 594 F CA -0.564 57.431 58.000 -0.009 0.000 1.149 594 F CB 0.407 39.413 39.000 0.010 0.000 1.160 594 F HN 0.239 nan 8.300 nan 0.000 0.501 595 I N 7.290 127.573 120.570 -0.478 0.000 2.460 595 I HA 0.378 4.549 4.170 0.001 0.000 0.298 595 I C -0.488 175.354 176.117 -0.458 0.000 0.989 595 I CA -0.820 60.241 61.300 -0.399 0.000 1.173 595 I CB 1.868 39.603 38.000 -0.442 0.000 1.338 595 I HN 0.409 nan 8.210 nan 0.000 0.456 596 I N 5.389 125.858 120.570 -0.168 0.000 2.439 596 I HA 0.201 4.372 4.170 0.001 0.000 0.283 596 I C -0.627 175.504 176.117 0.023 0.000 1.023 596 I CA -0.777 60.516 61.300 -0.011 0.000 1.100 596 I CB 1.441 39.505 38.000 0.107 0.000 1.238 596 I HN 0.620 nan 8.210 nan 0.000 0.445 597 N N 7.931 126.622 118.700 -0.015 0.000 2.493 597 N HA 0.333 5.074 4.740 0.001 0.000 0.275 597 N C -1.937 173.377 175.510 -0.326 0.000 1.186 597 N CA -2.218 50.627 53.050 -0.341 0.000 0.978 597 N CB 0.274 38.626 38.487 -0.225 0.000 1.184 597 N HN 0.221 nan 8.380 nan 0.000 0.487 598 P HA -0.170 nan 4.420 nan 0.000 0.221 598 P C 0.256 177.485 177.300 -0.119 0.000 1.141 598 P CA 1.314 64.276 63.100 -0.230 0.000 0.794 598 P CB 0.338 31.923 31.700 -0.192 0.000 0.764 599 E N -0.982 119.144 120.200 -0.125 0.000 2.371 599 E HA 0.163 4.514 4.350 0.001 0.000 0.194 599 E C 1.616 178.184 176.600 -0.053 0.000 1.012 599 E CA 0.888 57.247 56.400 -0.068 0.000 0.860 599 E CB -0.854 28.812 29.700 -0.058 0.000 0.811 599 E HN 0.299 nan 8.360 nan 0.000 0.502 600 G N 0.955 109.730 108.800 -0.040 0.000 2.132 600 G HA2 -0.274 3.686 3.960 0.001 0.000 0.234 600 G HA3 -0.274 3.686 3.960 0.001 0.000 0.234 600 G C -0.303 174.534 174.900 -0.105 0.000 0.989 600 G CA 0.035 45.125 45.100 -0.017 0.000 0.676 600 G HN 0.277 nan 8.290 nan 0.000 0.522 601 E N -0.165 120.000 120.200 -0.058 0.000 2.197 601 E HA 0.504 4.854 4.350 0.001 0.000 0.281 601 E C -0.069 176.594 176.600 0.107 0.000 0.995 601 E CA -0.693 55.662 56.400 -0.076 0.000 0.808 601 E CB 0.939 30.628 29.700 -0.019 0.000 1.093 601 E HN 0.325 nan 8.360 nan 0.000 0.394 602 F N 3.637 123.563 119.950 -0.041 0.000 2.438 602 F HA 0.281 4.809 4.527 0.001 0.000 0.356 602 F C 0.427 176.164 175.800 -0.104 0.000 1.099 602 F CA -0.748 57.176 58.000 -0.126 0.000 1.185 602 F CB 0.604 39.645 39.000 0.069 0.000 1.115 602 F HN 0.149 nan 8.300 nan 0.000 0.526 603 I N 4.338 124.874 120.570 -0.057 0.000 2.934 603 I HA 0.506 4.676 4.170 0.001 0.000 0.306 603 I C -0.832 175.210 176.117 -0.125 0.000 1.110 603 I CA -1.096 60.154 61.300 -0.083 0.000 1.019 603 I CB 2.135 40.013 38.000 -0.203 0.000 1.227 603 I HN 0.528 nan 8.210 nan 0.000 0.434 604 L N 3.454 124.645 121.223 -0.054 0.000 2.528 604 L HA 0.422 4.763 4.340 0.001 0.000 0.267 604 L C -0.055 176.782 176.870 -0.055 0.000 0.961 604 L CA -0.149 54.692 54.840 0.002 0.000 0.866 604 L CB 1.778 43.920 42.059 0.139 0.000 1.248 604 L HN 0.857 nan 8.230 nan 0.000 0.404 605 T N 0.247 114.734 114.554 -0.112 0.000 2.913 605 T HA 0.308 4.659 4.350 0.001 0.000 0.297 605 T C 0.792 175.475 174.700 -0.028 0.000 1.029 605 T CA -0.706 61.341 62.100 -0.089 0.000 1.104 605 T CB 1.295 70.084 68.868 -0.131 0.000 0.964 605 T HN 0.559 nan 8.240 nan 0.000 0.532 606 K N 1.571 121.965 120.400 -0.009 0.000 2.262 606 K HA 0.109 4.430 4.320 0.001 0.000 0.200 606 K C 0.832 177.447 176.600 0.025 0.000 1.049 606 K CA 0.599 56.892 56.287 0.010 0.000 0.979 606 K CB -0.219 32.289 32.500 0.013 0.000 0.773 606 K HN 0.910 nan 8.250 nan 0.000 0.474 607 N N -1.760 116.959 118.700 0.031 0.000 2.598 607 N HA -0.038 4.703 4.740 0.001 0.000 0.263 607 N C 0.197 175.781 175.510 0.125 0.000 1.254 607 N CA -0.635 52.463 53.050 0.080 0.000 0.863 607 N CB 0.514 39.043 38.487 0.069 0.000 1.586 607 N HN -0.021 nan 8.380 nan 0.000 0.491 608 W N 1.601 122.872 121.300 -0.049 0.000 2.269 608 W HA -0.332 4.328 4.660 0.001 0.000 0.336 608 W C 0.963 177.441 176.519 -0.068 0.000 1.333 608 W CA 2.642 59.963 57.345 -0.041 0.000 1.299 608 W CB 0.060 29.502 29.460 -0.030 0.000 1.126 608 W HN 0.727 nan 8.180 nan 0.000 0.474 609 E N -0.293 119.959 120.200 0.088 0.000 2.130 609 E HA -0.288 4.063 4.350 0.001 0.000 0.196 609 E C 2.089 178.590 176.600 -0.165 0.000 0.998 609 E CA 2.120 58.470 56.400 -0.084 0.000 0.806 609 E CB -0.968 28.725 29.700 -0.012 0.000 0.738 609 E HN 0.396 nan 8.360 nan 0.000 0.459 610 M N -0.072 119.474 119.600 -0.090 0.000 2.132 610 M HA -0.163 4.318 4.480 0.001 0.000 0.263 610 M C 1.688 177.913 176.300 -0.125 0.000 1.065 610 M CA 1.598 56.848 55.300 -0.083 0.000 1.122 610 M CB -0.109 32.471 32.600 -0.032 0.000 1.365 610 M HN 0.056 nan 8.290 nan 0.000 0.411 611 T N 0.194 114.639 114.554 -0.181 0.000 2.759 611 T HA -0.119 4.232 4.350 0.001 0.000 0.269 611 T C 1.580 176.108 174.700 -0.288 0.000 1.042 611 T CA 1.537 63.504 62.100 -0.222 0.000 1.140 611 T CB -0.834 67.847 68.868 -0.311 0.000 0.864 611 T HN 0.703 nan 8.240 nan 0.000 0.455 612 G N 0.790 109.262 108.800 -0.547 0.000 2.448 612 G HA2 -0.122 3.839 3.960 0.001 0.000 0.218 612 G HA3 -0.122 3.839 3.960 0.001 0.000 0.218 612 G C 1.730 176.343 174.900 -0.478 0.000 1.135 612 G CA 0.077 44.693 45.100 -0.807 0.000 0.784 612 G HN 0.403 nan 8.290 nan 0.000 0.543 613 R N -0.979 119.345 120.500 -0.293 0.000 2.075 613 R HA 0.120 4.461 4.340 0.001 0.000 0.226 613 R C 2.188 178.401 176.300 -0.144 0.000 1.114 613 R CA 0.724 56.705 56.100 -0.198 0.000 0.972 613 R CB -0.424 29.797 30.300 -0.133 0.000 0.869 613 R HN 0.389 nan 8.270 nan 0.000 0.437 614 F N 1.281 121.100 119.950 -0.218 0.000 2.171 614 F HA -0.137 4.390 4.527 0.001 0.000 0.300 614 F C 1.841 177.483 175.800 -0.262 0.000 1.090 614 F CA 1.401 59.282 58.000 -0.197 0.000 1.293 614 F CB 0.060 38.961 39.000 -0.165 0.000 1.013 614 F HN -0.090 nan 8.300 nan 0.000 0.486 615 I N -0.235 120.287 120.570 -0.079 0.000 2.617 615 I HA -0.176 3.995 4.170 0.001 0.000 0.256 615 I C 2.290 178.216 176.117 -0.318 0.000 1.167 615 I CA 1.099 62.246 61.300 -0.255 0.000 1.469 615 I CB -0.393 37.473 38.000 -0.224 0.000 1.098 615 I HN 0.219 nan 8.210 nan 0.000 0.436 616 E N 1.187 121.227 120.200 -0.267 0.000 2.072 616 E HA -0.212 4.138 4.350 0.001 0.000 0.190 616 E C 2.152 178.630 176.600 -0.203 0.000 0.982 616 E CA 0.840 57.113 56.400 -0.211 0.000 0.803 616 E CB 0.212 29.785 29.700 -0.211 0.000 0.755 616 E HN 0.102 nan 8.360 nan 0.000 0.453 617 K N 0.084 120.331 120.400 -0.255 0.000 2.400 617 K HA 0.003 4.324 4.320 0.001 0.000 0.194 617 K C 0.205 176.628 176.600 -0.295 0.000 1.033 617 K CA 0.508 56.652 56.287 -0.238 0.000 1.021 617 K CB 0.311 32.679 32.500 -0.220 0.000 0.808 617 K HN 0.104 nan 8.250 nan 0.000 0.505 618 N N -0.781 117.647 118.700 -0.454 0.000 2.118 618 N HA 0.229 4.970 4.740 0.001 0.000 0.226 618 N C 0.839 176.065 175.510 -0.472 0.000 1.305 618 N CA -0.017 52.756 53.050 -0.462 0.000 0.890 618 N CB 0.986 39.006 38.487 -0.779 0.000 1.118 618 N HN 0.066 nan 8.380 nan 0.000 0.511 619 I N -0.864 119.445 120.570 -0.435 0.000 3.694 619 I HA 0.006 4.177 4.170 0.001 0.000 0.259 619 I C 1.684 177.758 176.117 -0.071 0.000 1.070 619 I CA 0.523 61.601 61.300 -0.370 0.000 1.833 619 I CB -0.310 37.323 38.000 -0.611 0.000 1.648 619 I HN 0.012 nan 8.210 nan 0.000 0.431 620 T N -0.700 113.789 114.554 -0.109 0.000 3.077 620 T HA -0.021 4.329 4.350 0.001 0.000 0.269 620 T C 1.390 176.112 174.700 0.037 0.000 1.146 620 T CA 1.293 63.414 62.100 0.035 0.000 1.091 620 T CB -0.479 68.434 68.868 0.074 0.000 0.892 620 T HN 0.493 nan 8.240 nan 0.000 0.533 621 G N 0.408 109.202 108.800 -0.009 0.000 2.939 621 G HA2 0.221 4.182 3.960 0.001 0.000 0.216 621 G HA3 0.221 4.182 3.960 0.001 0.000 0.216 621 G C 0.624 175.544 174.900 0.033 0.000 1.125 621 G CA -0.470 44.630 45.100 0.000 0.000 0.766 621 G HN 0.360 nan 8.290 nan 0.000 0.541 622 K N 2.113 122.569 120.400 0.093 0.000 3.205 622 K HA 0.229 4.549 4.320 0.001 0.000 0.202 622 K C -0.663 176.054 176.600 0.196 0.000 1.160 622 K CA -0.724 55.654 56.287 0.153 0.000 0.995 622 K CB 0.438 33.062 32.500 0.207 0.000 1.041 622 K HN 0.050 nan 8.250 nan 0.000 0.507 623 D N 0.803 121.256 120.400 0.089 0.000 2.705 623 D HA -0.237 4.403 4.640 0.001 0.000 0.240 623 D C -0.777 175.419 176.300 -0.174 0.000 1.137 623 D CA 1.262 55.240 54.000 -0.037 0.000 0.677 623 D CB -1.204 39.517 40.800 -0.132 0.000 1.049 623 D HN 0.335 nan 8.370 nan 0.000 0.427 624 Y N -0.970 119.353 120.300 0.037 0.000 2.576 624 Y HA 0.496 5.047 4.550 0.001 0.000 0.346 624 Y C 0.283 176.221 175.900 0.063 0.000 1.018 624 Y CA -1.227 56.902 58.100 0.049 0.000 1.050 624 Y CB 1.273 39.794 38.460 0.101 0.000 1.280 624 Y HN 0.008 nan 8.280 nan 0.000 0.474 625 L N 3.040 124.376 121.223 0.189 0.000 2.313 625 L HA 0.379 4.719 4.340 0.001 0.000 0.282 625 L C -1.634 175.404 176.870 0.280 0.000 1.092 625 L CA -0.108 54.830 54.840 0.162 0.000 0.831 625 L CB -0.207 41.866 42.059 0.022 0.000 1.159 625 L HN 0.603 nan 8.230 nan 0.000 0.442 626 Y N 5.195 125.583 120.300 0.146 0.000 2.504 626 Y HA 0.588 5.138 4.550 0.001 0.000 0.344 626 Y C -1.478 174.500 175.900 0.130 0.000 1.023 626 Y CA -0.871 57.281 58.100 0.088 0.000 1.020 626 Y CB 1.623 40.125 38.460 0.069 0.000 1.282 626 Y HN 0.581 nan 8.280 nan 0.000 0.454 627 Y N 4.110 124.106 120.300 -0.507 0.000 2.470 627 Y HA 0.699 5.250 4.550 0.001 0.000 0.341 627 Y C -1.727 173.828 175.900 -0.575 0.000 1.021 627 Y CA -2.136 55.736 58.100 -0.379 0.000 1.025 627 Y CB 0.669 38.943 38.460 -0.311 0.000 1.266 627 Y HN 0.477 nan 8.280 nan 0.000 0.448 628 F N 0.414 120.217 119.950 -0.245 0.000 2.432 628 F HA 0.564 5.091 4.527 0.001 0.000 0.329 628 F C 0.125 175.600 175.800 -0.542 0.000 1.076 628 F CA -1.819 55.868 58.000 -0.522 0.000 1.018 628 F CB 0.776 39.404 39.000 -0.619 0.000 1.201 628 F HN 0.746 nan 8.300 nan 0.000 0.489 629 N N 1.889 120.219 118.700 -0.616 0.000 2.138 629 N HA -0.092 4.648 4.740 0.001 0.000 0.271 629 N C 0.963 176.272 175.510 -0.335 0.000 1.272 629 N CA 0.272 52.904 53.050 -0.697 0.000 0.819 629 N CB 0.523 38.149 38.487 -1.435 0.000 1.052 629 N HN 0.672 nan 8.380 nan 0.000 0.479 630 R N 1.262 121.647 120.500 -0.191 0.000 2.189 630 R HA -0.058 4.282 4.340 0.001 0.000 0.223 630 R C 1.540 177.856 176.300 0.026 0.000 1.092 630 R CA 0.809 56.868 56.100 -0.068 0.000 0.989 630 R CB 0.035 30.278 30.300 -0.096 0.000 0.876 630 R HN 0.492 nan 8.270 nan 0.000 0.457 631 S N -0.316 115.381 115.700 -0.005 0.000 2.406 631 S HA 0.007 4.477 4.470 0.001 0.000 0.228 631 S C 0.307 175.059 174.600 0.254 0.000 1.020 631 S CA 0.245 58.507 58.200 0.102 0.000 0.965 631 S CB -0.026 63.228 63.200 0.090 0.000 0.798 631 S HN 0.256 nan 8.310 nan 0.000 0.488 632 Y N 1.966 122.326 120.300 0.101 0.000 2.861 632 Y HA -0.133 4.418 4.550 0.001 0.000 0.344 632 Y C 1.268 177.204 175.900 0.059 0.000 1.272 632 Y CA 0.137 58.264 58.100 0.044 0.000 1.502 632 Y CB -0.123 38.327 38.460 -0.018 0.000 1.333 632 Y HN 0.341 nan 8.280 nan 0.000 0.634 633 N N 0.315 119.071 118.700 0.092 0.000 2.713 633 N HA -0.234 4.507 4.740 0.001 0.000 0.251 633 N C -1.069 174.600 175.510 0.265 0.000 1.117 633 N CA 0.852 53.955 53.050 0.087 0.000 0.770 633 N CB -0.580 38.018 38.487 0.186 0.000 1.137 633 N HN 0.497 nan 8.380 nan 0.000 0.566 634 K N -0.187 120.374 120.400 0.267 0.000 2.430 634 K HA 0.566 4.886 4.320 0.001 0.000 0.268 634 K C -0.798 176.026 176.600 0.372 0.000 1.043 634 K CA -0.806 55.668 56.287 0.312 0.000 0.899 634 K CB 1.576 34.190 32.500 0.191 0.000 1.472 634 K HN -0.077 nan 8.250 nan 0.000 0.451 635 I N 2.477 123.192 120.570 0.241 0.000 2.282 635 I HA 0.187 4.358 4.170 0.001 0.000 0.290 635 I C 0.196 176.378 176.117 0.109 0.000 1.090 635 I CA -0.523 60.889 61.300 0.187 0.000 1.231 635 I CB 0.963 39.020 38.000 0.095 0.000 1.434 635 I HN 0.627 nan 8.210 nan 0.000 0.487 636 A N 8.618 131.501 122.820 0.104 0.000 2.587 636 A HA 0.082 4.402 4.320 0.001 0.000 0.233 636 A C -1.615 175.959 177.584 -0.017 0.000 1.049 636 A CA -0.453 51.602 52.037 0.030 0.000 0.754 636 A CB -0.228 18.788 19.000 0.026 0.000 0.977 636 A HN 0.532 nan 8.150 nan 0.000 0.509 637 P HA -0.008 nan 4.420 nan 0.000 0.218 637 P C 1.678 178.895 177.300 -0.139 0.000 1.152 637 P CA 1.468 64.513 63.100 -0.090 0.000 0.826 637 P CB 0.092 31.730 31.700 -0.103 0.000 0.790 638 G N 1.029 109.611 108.800 -0.364 0.000 2.524 638 G HA2 -0.246 3.715 3.960 0.001 0.000 0.215 638 G HA3 -0.246 3.715 3.960 0.001 0.000 0.215 638 G C 1.111 176.078 174.900 0.111 0.000 1.239 638 G CA 0.938 45.689 45.100 -0.582 0.000 0.798 638 G HN 0.473 nan 8.290 nan 0.000 0.557 639 N N -0.901 117.911 118.700 0.187 0.000 2.235 639 N HA 0.077 4.817 4.740 0.001 0.000 0.209 639 N C 0.256 175.851 175.510 0.141 0.000 1.122 639 N CA 0.006 53.233 53.050 0.295 0.000 0.845 639 N CB 0.291 39.011 38.487 0.387 0.000 1.004 639 N HN -0.066 nan 8.380 nan 0.000 0.499 640 K N -0.933 119.518 120.400 0.085 0.000 3.104 640 K HA -0.217 4.104 4.320 0.001 0.000 0.285 640 K C 0.112 176.769 176.600 0.095 0.000 1.136 640 K CA 0.888 57.218 56.287 0.073 0.000 0.842 640 K CB -2.439 30.098 32.500 0.062 0.000 1.217 640 K HN 0.570 nan 8.250 nan 0.000 0.467 641 A N 0.608 123.489 122.820 0.101 0.000 2.483 641 A HA 0.240 4.560 4.320 0.001 0.000 0.238 641 A C -0.085 177.595 177.584 0.160 0.000 1.070 641 A CA 0.306 52.404 52.037 0.102 0.000 0.770 641 A CB -0.008 19.038 19.000 0.076 0.000 1.008 641 A HN 0.341 nan 8.150 nan 0.000 0.497 642 Y N 2.922 123.220 120.300 -0.002 0.000 2.787 642 Y HA 0.524 5.074 4.550 0.001 0.000 0.352 642 Y C -0.729 175.154 175.900 -0.029 0.000 1.027 642 Y CA -0.909 57.196 58.100 0.009 0.000 1.219 642 Y CB 0.166 38.632 38.460 0.010 0.000 1.110 642 Y HN 0.511 nan 8.280 nan 0.000 0.614 643 I N 4.528 124.898 120.570 -0.333 0.000 2.371 643 I HA 0.201 4.372 4.170 0.001 0.000 0.290 643 I C 0.009 175.838 176.117 -0.481 0.000 1.028 643 I CA -0.115 60.913 61.300 -0.455 0.000 1.345 643 I CB 0.878 38.579 38.000 -0.498 0.000 1.407 643 I HN 0.459 nan 8.210 nan 0.000 0.501 644 E N 5.823 125.833 120.200 -0.317 0.000 2.248 644 E HA 0.356 4.707 4.350 0.001 0.000 0.272 644 E C -1.196 175.544 176.600 0.233 0.000 1.008 644 E CA -0.597 55.729 56.400 -0.123 0.000 0.856 644 E CB 2.414 32.062 29.700 -0.086 0.000 1.120 644 E HN 0.524 nan 8.360 nan 0.000 0.397 645 W N 1.020 122.244 121.300 -0.127 0.000 3.213 645 W HA 0.159 4.820 4.660 0.001 0.000 0.318 645 W C -1.227 175.172 176.519 -0.200 0.000 1.248 645 W CA -0.536 56.692 57.345 -0.196 0.000 1.187 645 W CB 2.247 31.498 29.460 -0.348 0.000 1.403 645 W HN 0.321 nan 8.180 nan 0.000 0.556 646 T N 3.131 117.448 114.554 -0.396 0.000 2.737 646 T HA 0.042 4.392 4.350 0.001 0.000 0.296 646 T C -0.477 174.247 174.700 0.039 0.000 0.922 646 T CA 0.235 62.220 62.100 -0.192 0.000 1.079 646 T CB 0.500 69.193 68.868 -0.293 0.000 0.892 646 T HN 0.161 nan 8.240 nan 0.000 0.514 647 D N 4.543 125.036 120.400 0.156 0.000 2.414 647 D HA 0.239 4.879 4.640 0.001 0.000 0.232 647 D C -1.215 175.215 176.300 0.217 0.000 1.070 647 D CA -2.491 51.700 54.000 0.319 0.000 0.839 647 D CB 1.863 42.896 40.800 0.388 0.000 1.079 647 D HN 0.156 nan 8.370 nan 0.000 0.521 648 P HA -0.110 nan 4.420 nan 0.000 0.218 648 P C 1.812 179.192 177.300 0.134 0.000 1.149 648 P CA 0.630 63.814 63.100 0.141 0.000 0.817 648 P CB 0.578 32.357 31.700 0.131 0.000 0.785 649 I N -0.151 120.512 120.570 0.155 0.000 2.335 649 I HA -0.200 3.971 4.170 0.001 0.000 0.251 649 I C 2.167 178.357 176.117 0.122 0.000 1.129 649 I CA 1.658 63.034 61.300 0.128 0.000 1.402 649 I CB -1.084 36.992 38.000 0.127 0.000 1.069 649 I HN 0.017 nan 8.210 nan 0.000 0.424 650 T N 0.753 115.391 114.554 0.140 0.000 2.896 650 T HA -0.085 4.266 4.350 0.001 0.000 0.263 650 T C 1.764 176.532 174.700 0.112 0.000 1.050 650 T CA 0.946 63.125 62.100 0.133 0.000 1.140 650 T CB -0.084 68.872 68.868 0.147 0.000 0.877 650 T HN 0.381 nan 8.240 nan 0.000 0.457 651 K N 1.976 122.436 120.400 0.100 0.000 2.152 651 K HA 0.030 4.351 4.320 0.001 0.000 0.206 651 K C 2.451 179.095 176.600 0.074 0.000 1.048 651 K CA 1.274 57.608 56.287 0.080 0.000 0.933 651 K CB -0.244 32.295 32.500 0.065 0.000 0.721 651 K HN 0.287 nan 8.250 nan 0.000 0.447 652 A N 1.986 124.853 122.820 0.078 0.000 1.975 652 A HA -0.102 4.219 4.320 0.001 0.000 0.215 652 A C 2.080 179.700 177.584 0.061 0.000 1.170 652 A CA 1.092 53.169 52.037 0.067 0.000 0.656 652 A CB -0.322 18.721 19.000 0.073 0.000 0.821 652 A HN 0.280 nan 8.150 nan 0.000 0.449 653 K N -0.136 120.310 120.400 0.076 0.000 2.097 653 K HA -0.266 4.055 4.320 0.001 0.000 0.214 653 K C 1.676 178.297 176.600 0.036 0.000 1.052 653 K CA 2.185 58.514 56.287 0.071 0.000 0.932 653 K CB -0.471 32.099 32.500 0.117 0.000 0.716 653 K HN 0.369 nan 8.250 nan 0.000 0.455 654 I N 1.765 122.370 120.570 0.058 0.000 2.335 654 I HA -0.260 3.911 4.170 0.001 0.000 0.251 654 I C 1.011 177.108 176.117 -0.034 0.000 1.129 654 I CA 1.712 63.030 61.300 0.029 0.000 1.402 654 I CB -0.195 37.846 38.000 0.067 0.000 1.069 654 I HN 0.298 nan 8.210 nan 0.000 0.424 655 N N -0.306 118.384 118.700 -0.017 0.000 2.205 655 N HA 0.087 4.827 4.740 0.001 0.000 0.201 655 N C 0.063 175.550 175.510 -0.039 0.000 1.128 655 N CA 0.742 53.771 53.050 -0.034 0.000 0.867 655 N CB 0.253 38.738 38.487 -0.003 0.000 0.996 655 N HN 0.459 nan 8.380 nan 0.000 0.503 656 T N -0.196 114.340 114.554 -0.029 0.000 2.779 656 T HA 0.541 4.892 4.350 0.001 0.000 0.280 656 T C 0.592 175.250 174.700 -0.070 0.000 0.987 656 T CA -0.934 61.159 62.100 -0.011 0.000 0.966 656 T CB 1.342 70.245 68.868 0.058 0.000 0.933 656 T HN 0.120 nan 8.240 nan 0.000 0.442 657 I N 1.348 121.843 120.570 -0.125 0.000 2.882 657 I HA 0.495 4.666 4.170 0.001 0.000 0.286 657 I C -2.280 173.783 176.117 -0.090 0.000 1.139 657 I CA -2.173 59.011 61.300 -0.195 0.000 1.379 657 I CB 0.301 38.075 38.000 -0.376 0.000 1.410 657 I HN 0.390 nan 8.210 nan 0.000 0.594 658 P HA 0.115 nan 4.420 nan 0.000 0.276 658 P C -0.344 176.872 177.300 -0.141 0.000 1.244 658 P CA -0.228 62.817 63.100 -0.091 0.000 0.801 658 P CB 1.191 32.887 31.700 -0.007 0.000 1.006 659 T N -0.172 114.250 114.554 -0.219 0.000 2.788 659 T HA 0.112 4.463 4.350 0.001 0.000 0.287 659 T C 1.763 176.445 174.700 -0.030 0.000 1.007 659 T CA 0.304 62.251 62.100 -0.256 0.000 1.005 659 T CB 0.075 68.784 68.868 -0.264 0.000 1.012 659 T HN 0.498 nan 8.240 nan 0.000 0.530 660 S N 1.828 117.541 115.700 0.022 0.000 2.368 660 S HA -0.048 4.423 4.470 0.001 0.000 0.224 660 S C 2.392 177.085 174.600 0.155 0.000 1.029 660 S CA 0.974 59.237 58.200 0.105 0.000 0.988 660 S CB -0.997 62.261 63.200 0.097 0.000 0.838 660 S HN 0.827 nan 8.310 nan 0.000 0.462 661 A N 2.703 125.571 122.820 0.080 0.000 1.851 661 A HA -0.173 4.147 4.320 0.001 0.000 0.216 661 A C 2.196 179.830 177.584 0.082 0.000 1.195 661 A CA 2.179 54.256 52.037 0.067 0.000 0.622 661 A CB -1.312 17.704 19.000 0.027 0.000 0.831 661 A HN 0.733 nan 8.150 nan 0.000 0.444 662 E N -0.810 119.432 120.200 0.071 0.000 2.114 662 E HA -0.272 4.078 4.350 0.001 0.000 0.199 662 E C 1.632 178.340 176.600 0.181 0.000 1.008 662 E CA 2.006 58.463 56.400 0.095 0.000 0.810 662 E CB -0.635 29.110 29.700 0.076 0.000 0.739 662 E HN 0.533 nan 8.360 nan 0.000 0.456 663 F N 0.737 120.727 119.950 0.066 0.000 2.069 663 F HA -0.100 4.427 4.527 0.001 0.000 0.298 663 F C 2.017 177.873 175.800 0.093 0.000 1.113 663 F CA 1.878 59.955 58.000 0.128 0.000 1.214 663 F CB -0.389 38.652 39.000 0.069 0.000 0.978 663 F HN 0.087 nan 8.300 nan 0.000 0.474 664 I N 0.166 120.748 120.570 0.021 0.000 2.133 664 I HA -0.305 3.866 4.170 0.001 0.000 0.238 664 I C 2.402 178.443 176.117 -0.127 0.000 1.074 664 I CA 1.439 62.671 61.300 -0.113 0.000 1.342 664 I CB -0.659 37.350 38.000 0.015 0.000 1.053 664 I HN 0.029 nan 8.210 nan 0.000 0.404 665 K N 0.748 121.117 120.400 -0.052 0.000 2.228 665 K HA -0.215 4.106 4.320 0.001 0.000 0.205 665 K C 1.277 177.808 176.600 -0.115 0.000 1.045 665 K CA 1.562 57.814 56.287 -0.059 0.000 0.931 665 K CB -0.339 32.149 32.500 -0.019 0.000 0.727 665 K HN 0.320 nan 8.250 nan 0.000 0.458 666 N N 0.017 118.618 118.700 -0.165 0.000 2.398 666 N HA 0.065 4.805 4.740 0.001 0.000 0.188 666 N C 0.948 176.142 175.510 -0.526 0.000 1.122 666 N CA 0.301 53.163 53.050 -0.313 0.000 0.866 666 N CB 0.363 38.681 38.487 -0.282 0.000 0.970 666 N HN 0.086 nan 8.380 nan 0.000 0.462 667 L N -1.312 119.664 121.223 -0.411 0.000 2.609 667 L HA 0.211 4.551 4.340 0.001 0.000 0.230 667 L C 2.001 178.746 176.870 -0.208 0.000 1.087 667 L CA 0.148 54.751 54.840 -0.397 0.000 0.874 667 L CB 0.054 41.903 42.059 -0.350 0.000 1.114 667 L HN 0.153 nan 8.230 nan 0.000 0.488 668 S N 0.194 115.793 115.700 -0.167 0.000 2.325 668 S HA -0.153 4.317 4.470 0.001 0.000 0.214 668 S C 2.259 176.806 174.600 -0.089 0.000 1.031 668 S CA 1.481 59.624 58.200 -0.094 0.000 0.972 668 S CB -0.260 62.897 63.200 -0.072 0.000 0.908 668 S HN 0.448 nan 8.310 nan 0.000 0.453 669 S N 1.388 117.023 115.700 -0.109 0.000 2.423 669 S HA 0.019 4.490 4.470 0.001 0.000 0.231 669 S C 1.937 176.467 174.600 -0.117 0.000 1.014 669 S CA 0.764 58.909 58.200 -0.092 0.000 0.965 669 S CB -0.680 62.469 63.200 -0.084 0.000 0.785 669 S HN 0.496 nan 8.310 nan 0.000 0.495 670 I N 2.177 122.626 120.570 -0.202 0.000 2.493 670 I HA 0.073 4.244 4.170 0.001 0.000 0.254 670 I C 1.775 177.853 176.117 -0.066 0.000 1.160 670 I CA 0.790 61.941 61.300 -0.248 0.000 1.445 670 I CB -0.829 36.820 38.000 -0.585 0.000 1.086 670 I HN 0.310 nan 8.210 nan 0.000 0.433 671 R N 1.078 121.566 120.500 -0.019 0.000 4.779 671 R HA 0.026 4.366 4.340 0.001 0.000 0.217 671 R C 1.159 177.472 176.300 0.022 0.000 1.934 671 R CA 0.012 56.155 56.100 0.073 0.000 1.623 671 R CB 0.023 30.360 30.300 0.061 0.000 1.364 671 R HN 0.177 nan 8.270 nan 0.000 0.799 672 R N -0.879 119.629 120.500 0.014 0.000 2.196 672 R HA 0.129 4.469 4.340 0.001 0.000 0.186 672 R C 0.409 176.711 176.300 0.003 0.000 1.163 672 R CA 0.397 56.495 56.100 -0.003 0.000 1.146 672 R CB -0.219 30.071 30.300 -0.016 0.000 1.113 672 R HN 0.140 nan 8.270 nan 0.000 0.513 673 S N 1.767 117.472 115.700 0.009 0.000 4.027 673 S HA 0.230 4.700 4.470 0.001 0.000 0.188 673 S C 0.181 174.789 174.600 0.012 0.000 1.230 673 S CA 0.030 58.234 58.200 0.007 0.000 0.920 673 S CB -0.243 62.962 63.200 0.009 0.000 1.577 673 S HN 0.293 nan 8.310 nan 0.000 0.445 694 V N 4.259 124.218 119.914 0.075 0.000 2.368 694 V HA 0.423 4.544 4.120 0.001 0.000 0.266 694 V C 1.073 177.195 176.094 0.048 0.000 1.045 694 V CA -0.116 62.205 62.300 0.035 0.000 0.899 694 V CB 1.354 33.185 31.823 0.014 0.000 1.006 694 V HN 0.656 nan 8.190 nan 0.000 0.470 695 K N 3.488 123.894 120.400 0.010 0.000 2.358 695 K HA 0.201 4.522 4.320 0.001 0.000 0.200 695 K C 1.641 178.196 176.600 -0.075 0.000 1.030 695 K CA -0.013 56.289 56.287 0.024 0.000 1.097 695 K CB 0.268 32.789 32.500 0.036 0.000 0.862 695 K HN 0.550 nan 8.250 nan 0.000 0.534 696 K N 0.709 121.001 120.400 -0.180 0.000 2.032 696 K HA -0.123 4.198 4.320 0.001 0.000 0.209 696 K C 1.808 178.028 176.600 -0.634 0.000 1.048 696 K CA 1.579 57.609 56.287 -0.427 0.000 0.927 696 K CB -0.116 32.072 32.500 -0.520 0.000 0.712 696 K HN 0.157 nan 8.250 nan 0.000 0.441 697 I N 0.969 121.248 120.570 -0.485 0.000 2.226 697 I HA -0.260 3.910 4.170 0.001 0.000 0.245 697 I C 2.307 178.186 176.117 -0.397 0.000 1.100 697 I CA 1.117 62.122 61.300 -0.491 0.000 1.374 697 I CB -0.330 37.346 38.000 -0.541 0.000 1.057 697 I HN 0.146 nan 8.210 nan 0.000 0.413 698 A N 0.411 123.106 122.820 -0.208 0.000 2.209 698 A HA 0.060 4.381 4.320 0.001 0.000 0.212 698 A C 2.213 179.807 177.584 0.016 0.000 1.158 698 A CA 1.380 53.403 52.037 -0.023 0.000 0.742 698 A CB -0.839 18.302 19.000 0.234 0.000 0.790 698 A HN 0.485 nan 8.150 nan 0.000 0.472 699 G N -1.780 107.015 108.800 -0.009 0.000 2.570 699 G HA2 0.007 3.967 3.960 0.001 0.000 0.209 699 G HA3 0.007 3.967 3.960 0.001 0.000 0.209 699 G C 1.404 176.422 174.900 0.196 0.000 1.168 699 G CA 0.517 45.668 45.100 0.085 0.000 0.831 699 G HN 0.542 nan 8.290 nan 0.000 0.564 700 Y N 0.801 121.085 120.300 -0.027 0.000 2.102 700 Y HA -0.177 4.374 4.550 0.001 0.000 0.280 700 Y C 2.819 178.728 175.900 0.014 0.000 1.178 700 Y CA 0.512 58.599 58.100 -0.021 0.000 1.146 700 Y CB -0.203 38.217 38.460 -0.068 0.000 0.968 700 Y HN 0.056 nan 8.280 nan 0.000 0.504 701 L N -1.101 120.204 121.223 0.137 0.000 2.191 701 L HA -0.236 4.104 4.340 0.001 0.000 0.212 701 L C 2.586 179.581 176.870 0.207 0.000 1.103 701 L CA 1.046 55.948 54.840 0.103 0.000 0.769 701 L CB -0.470 41.549 42.059 -0.067 0.000 0.908 701 L HN 0.121 nan 8.230 nan 0.000 0.438 702 S N -0.882 114.916 115.700 0.164 0.000 2.461 702 S HA -0.118 4.353 4.470 0.001 0.000 0.228 702 S C 1.461 176.171 174.600 0.183 0.000 1.005 702 S CA 0.717 59.017 58.200 0.167 0.000 0.942 702 S CB -0.051 63.221 63.200 0.120 0.000 0.776 702 S HN 0.391 nan 8.310 nan 0.000 0.514 703 D N -0.187 120.317 120.400 0.174 0.000 2.137 703 D HA -0.026 4.615 4.640 0.001 0.000 0.202 703 D C 1.495 177.858 176.300 0.105 0.000 0.970 703 D CA 0.819 54.886 54.000 0.111 0.000 0.837 703 D CB -0.524 40.309 40.800 0.054 0.000 0.981 703 D HN 0.528 nan 8.370 nan 0.000 0.475 704 Y N 0.292 120.597 120.300 0.010 0.000 2.151 704 Y HA -0.271 4.280 4.550 0.001 0.000 0.284 704 Y C 0.598 176.392 175.900 -0.177 0.000 1.166 704 Y CA 1.426 59.469 58.100 -0.096 0.000 1.163 704 Y CB -0.086 38.318 38.460 -0.094 0.000 0.974 704 Y HN -0.055 nan 8.280 nan 0.000 0.511 705 Y N 0.955 121.413 120.300 0.264 0.000 2.845 705 Y HA 0.182 4.733 4.550 0.001 0.000 0.385 705 Y C -0.357 175.595 175.900 0.086 0.000 1.133 705 Y CA -0.860 57.346 58.100 0.176 0.000 1.660 705 Y CB -0.509 38.053 38.460 0.170 0.000 1.683 705 Y HN 0.049 nan 8.280 nan 0.000 0.503 706 N N -0.497 118.273 118.700 0.116 0.000 2.414 706 N HA 0.082 4.823 4.740 0.001 0.000 0.256 706 N C 0.766 176.324 175.510 0.080 0.000 1.029 706 N CA 0.203 53.309 53.050 0.093 0.000 0.948 706 N CB 1.212 39.737 38.487 0.064 0.000 1.102 706 N HN 0.105 nan 8.380 nan 0.000 0.496 707 S N 2.514 118.255 115.700 0.068 0.000 2.419 707 S HA -0.107 4.363 4.470 0.001 0.000 0.235 707 S C 0.999 175.619 174.600 0.033 0.000 1.019 707 S CA 1.075 59.287 58.200 0.020 0.000 0.982 707 S CB -0.286 62.896 63.200 -0.030 0.000 0.789 707 S HN 0.775 nan 8.310 nan 0.000 0.490 708 A N 1.215 124.091 122.820 0.093 0.000 3.029 708 A HA 0.311 4.632 4.320 0.001 0.000 0.251 708 A C 0.840 178.590 177.584 0.276 0.000 1.749 708 A CA -0.123 52.020 52.037 0.178 0.000 1.386 708 A CB -0.533 18.552 19.000 0.142 0.000 1.043 708 A HN 0.320 nan 8.150 nan 0.000 0.638 709 N N -0.518 118.357 118.700 0.291 0.000 2.266 709 N HA -0.003 4.738 4.740 0.001 0.000 0.217 709 N C 1.260 176.945 175.510 0.292 0.000 1.211 709 N CA 0.279 53.548 53.050 0.364 0.000 0.881 709 N CB 0.052 38.645 38.487 0.175 0.000 1.153 709 N HN 0.718 nan 8.380 nan 0.000 0.489 710 H N 1.011 120.097 119.070 0.026 0.000 2.566 710 H HA 0.064 4.621 4.556 0.001 0.000 0.277 710 H C 0.926 176.189 175.328 -0.109 0.000 1.046 710 H CA 0.461 56.495 56.048 -0.023 0.000 1.172 710 H CB -0.741 29.009 29.762 -0.019 0.000 1.319 710 H HN 0.439 nan 8.280 nan 0.000 0.621 711 I N -4.588 115.718 120.570 -0.439 0.000 4.081 711 I HA 0.390 4.561 4.170 0.001 0.000 0.333 711 I C -0.903 174.779 176.117 -0.726 0.000 1.413 711 I CA -0.658 60.232 61.300 -0.682 0.000 1.110 711 I CB 0.085 37.622 38.000 -0.771 0.000 1.082 711 I HN -0.163 nan 8.210 nan 0.000 0.402 712 F N 1.163 121.071 119.950 -0.070 0.000 2.575 712 F HA 0.607 5.134 4.527 0.001 0.000 0.330 712 F C 1.045 176.819 175.800 -0.045 0.000 1.056 712 F CA -0.991 56.980 58.000 -0.048 0.000 0.964 712 F CB 1.591 40.570 39.000 -0.034 0.000 1.258 712 F HN 0.000 nan 8.300 nan 0.000 0.484 713 S N 0.420 116.225 115.700 0.175 0.000 2.614 713 S HA 0.122 4.593 4.470 0.001 0.000 0.265 713 S C 0.760 175.398 174.600 0.063 0.000 1.303 713 S CA -0.741 57.505 58.200 0.076 0.000 1.000 713 S CB 1.156 64.388 63.200 0.052 0.000 0.935 713 S HN 0.617 nan 8.310 nan 0.000 0.551 714 Q N 1.004 120.818 119.800 0.024 0.000 2.045 714 Q HA -0.178 4.162 4.340 0.001 0.000 0.206 714 Q C 1.996 177.989 176.000 -0.012 0.000 0.991 714 Q CA 2.072 57.871 55.803 -0.007 0.000 0.851 714 Q CB -0.912 27.812 28.738 -0.023 0.000 0.911 714 Q HN 0.891 nan 8.270 nan 0.000 0.418 715 E N 0.823 121.023 120.200 -0.000 0.000 2.086 715 E HA -0.229 4.122 4.350 0.001 0.000 0.200 715 E C 1.863 178.456 176.600 -0.011 0.000 1.012 715 E CA 1.838 58.235 56.400 -0.005 0.000 0.812 715 E CB -0.128 29.571 29.700 -0.002 0.000 0.743 715 E HN 0.125 nan 8.360 nan 0.000 0.453 716 K N 0.916 121.319 120.400 0.006 0.000 2.009 716 K HA -0.155 4.166 4.320 0.001 0.000 0.210 716 K C 1.772 178.331 176.600 -0.069 0.000 1.049 716 K CA 1.796 58.069 56.287 -0.023 0.000 0.929 716 K CB -0.120 32.406 32.500 0.043 0.000 0.714 716 K HN -0.008 nan 8.250 nan 0.000 0.440 717 K N 0.049 120.428 120.400 -0.035 0.000 2.015 717 K HA -0.196 4.124 4.320 0.001 0.000 0.216 717 K C 2.327 178.861 176.600 -0.109 0.000 1.052 717 K CA 2.191 58.431 56.287 -0.078 0.000 0.937 717 K CB -0.261 32.212 32.500 -0.045 0.000 0.719 717 K HN 0.125 nan 8.250 nan 0.000 0.446 718 R N 0.876 121.332 120.500 -0.073 0.000 2.091 718 R HA -0.117 4.223 4.340 0.001 0.000 0.238 718 R C 2.285 178.600 176.300 0.024 0.000 1.136 718 R CA 1.259 57.332 56.100 -0.045 0.000 0.959 718 R CB -0.124 30.159 30.300 -0.029 0.000 0.856 718 R HN 0.091 nan 8.270 nan 0.000 0.437 719 K N 1.083 121.506 120.400 0.039 0.000 1.971 719 K HA -0.185 4.136 4.320 0.001 0.000 0.221 719 K C 2.209 178.971 176.600 0.270 0.000 1.050 719 K CA 1.935 58.307 56.287 0.142 0.000 0.967 719 K CB -0.860 31.675 32.500 0.058 0.000 0.733 719 K HN 0.353 nan 8.250 nan 0.000 0.445 720 I N -0.841 119.783 120.570 0.090 0.000 2.399 720 I HA -0.231 3.939 4.170 0.001 0.000 0.254 720 I C 1.921 177.999 176.117 -0.065 0.000 1.146 720 I CA 1.603 62.886 61.300 -0.028 0.000 1.412 720 I CB -0.291 37.553 38.000 -0.260 0.000 1.076 720 I HN -0.115 nan 8.210 nan 0.000 0.432 721 S N 1.456 117.073 115.700 -0.139 0.000 2.377 721 S HA 0.158 4.628 4.470 0.001 0.000 0.223 721 S C 1.950 176.531 174.600 -0.031 0.000 1.030 721 S CA 0.995 59.004 58.200 -0.319 0.000 0.970 721 S CB -0.285 62.547 63.200 -0.613 0.000 0.830 721 S HN 0.441 nan 8.310 nan 0.000 0.473 722 I N 0.590 121.224 120.570 0.107 0.000 2.657 722 I HA -0.184 3.986 4.170 0.001 0.000 0.261 722 I C 1.893 178.072 176.117 0.104 0.000 1.212 722 I CA 1.085 62.506 61.300 0.202 0.000 1.453 722 I CB -0.199 38.010 38.000 0.350 0.000 1.092 722 I HN 0.238 nan 8.210 nan 0.000 0.452 723 F N 1.533 121.402 119.950 -0.136 0.000 2.148 723 F HA 0.002 4.529 4.527 0.001 0.000 0.285 723 F C 2.590 178.219 175.800 -0.285 0.000 1.092 723 F CA 1.024 58.742 58.000 -0.470 0.000 1.218 723 F CB -0.292 38.391 39.000 -0.529 0.000 1.059 723 F HN -0.266 nan 8.300 nan 0.000 0.490 724 R N 0.237 120.657 120.500 -0.133 0.000 2.185 724 R HA -0.174 4.166 4.340 0.001 0.000 0.247 724 R C 2.328 178.569 176.300 -0.099 0.000 1.159 724 R CA 1.209 57.196 56.100 -0.189 0.000 0.988 724 R CB -1.132 29.112 30.300 -0.093 0.000 0.871 724 R HN 0.529 nan 8.270 nan 0.000 0.458 725 G N 1.089 109.904 108.800 0.025 0.000 2.496 725 G HA2 -0.196 3.764 3.960 0.001 0.000 0.214 725 G HA3 -0.196 3.764 3.960 0.001 0.000 0.214 725 G C 1.384 176.287 174.900 0.005 0.000 1.234 725 G CA 0.454 45.589 45.100 0.058 0.000 0.807 725 G HN 0.147 nan 8.290 nan 0.000 0.543 726 I N 0.879 121.434 120.570 -0.024 0.000 2.300 726 I HA -0.313 3.857 4.170 0.001 0.000 0.252 726 I C 3.023 179.172 176.117 0.054 0.000 1.119 726 I CA 1.242 62.593 61.300 0.085 0.000 1.384 726 I CB -0.293 37.700 38.000 -0.012 0.000 1.062 726 I HN 0.329 nan 8.210 nan 0.000 0.426 727 Q N 0.551 120.214 119.800 -0.227 0.000 2.002 727 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 727 Q C 2.519 178.675 176.000 0.259 0.000 0.988 727 Q CA 2.045 57.750 55.803 -0.165 0.000 0.843 727 Q CB -0.327 28.024 28.738 -0.645 0.000 0.908 727 Q HN 0.616 nan 8.270 nan 0.000 0.420 728 A N 0.098 123.095 122.820 0.295 0.000 1.969 728 A HA -0.197 4.124 4.320 0.001 0.000 0.218 728 A C 1.856 179.458 177.584 0.031 0.000 1.169 728 A CA 1.178 53.334 52.037 0.199 0.000 0.635 728 A CB -0.787 18.247 19.000 0.057 0.000 0.810 728 A HN 0.540 nan 8.150 nan 0.000 0.445 729 Y N 1.059 121.334 120.300 -0.042 0.000 2.497 729 Y HA -0.174 4.377 4.550 0.001 0.000 0.292 729 Y C 2.000 177.886 175.900 -0.023 0.000 1.137 729 Y CA 1.594 59.647 58.100 -0.078 0.000 1.285 729 Y CB -0.299 38.127 38.460 -0.057 0.000 0.991 729 Y HN 0.481 nan 8.280 nan 0.000 0.556 730 N N -0.274 118.476 118.700 0.083 0.000 2.197 730 N HA -0.136 4.605 4.740 0.001 0.000 0.184 730 N C 1.711 177.199 175.510 -0.037 0.000 1.030 730 N CA 1.507 54.618 53.050 0.102 0.000 0.851 730 N CB -0.160 38.542 38.487 0.358 0.000 1.003 730 N HN 0.197 nan 8.380 nan 0.000 0.430 731 E N 0.710 120.898 120.200 -0.020 0.000 2.058 731 E HA -0.164 4.186 4.350 0.001 0.000 0.194 731 E C 2.126 178.645 176.600 -0.136 0.000 0.997 731 E CA 0.921 57.266 56.400 -0.092 0.000 0.801 731 E CB -0.408 29.177 29.700 -0.191 0.000 0.746 731 E HN 0.519 nan 8.360 nan 0.000 0.450 732 I N 1.308 121.745 120.570 -0.223 0.000 2.264 732 I HA -0.259 3.912 4.170 0.001 0.000 0.248 732 I C 2.471 178.495 176.117 -0.155 0.000 1.111 732 I CA 1.018 62.158 61.300 -0.267 0.000 1.382 732 I CB -0.230 37.528 38.000 -0.403 0.000 1.060 732 I HN 0.058 nan 8.210 nan 0.000 0.418 733 E N 1.352 121.401 120.200 -0.253 0.000 2.023 733 E HA -0.250 4.101 4.350 0.001 0.000 0.196 733 E C 1.691 178.231 176.600 -0.100 0.000 1.003 733 E CA 2.038 58.300 56.400 -0.231 0.000 0.809 733 E CB -0.584 28.926 29.700 -0.316 0.000 0.755 733 E HN 0.678 nan 8.360 nan 0.000 0.449 734 N N -0.114 118.536 118.700 -0.083 0.000 2.550 734 N HA -0.077 4.664 4.740 0.001 0.000 0.186 734 N C 1.527 177.043 175.510 0.010 0.000 1.110 734 N CA 0.608 53.633 53.050 -0.042 0.000 0.912 734 N CB -0.176 38.284 38.487 -0.045 0.000 0.968 734 N HN -0.064 nan 8.380 nan 0.000 0.448 735 V N 0.592 120.534 119.914 0.047 0.000 2.407 735 V HA -0.010 4.111 4.120 0.001 0.000 0.245 735 V C 2.136 178.312 176.094 0.136 0.000 1.041 735 V CA 1.012 63.388 62.300 0.126 0.000 1.040 735 V CB -0.474 31.498 31.823 0.249 0.000 0.671 735 V HN 0.341 nan 8.190 nan 0.000 0.455 736 L N -0.408 120.901 121.223 0.142 0.000 2.465 736 L HA -0.056 4.285 4.340 0.001 0.000 0.224 736 L C 2.191 179.088 176.870 0.046 0.000 1.145 736 L CA 0.795 55.699 54.840 0.106 0.000 0.834 736 L CB -0.400 41.724 42.059 0.108 0.000 0.944 736 L HN 0.227 nan 8.230 nan 0.000 0.451 737 K N -0.435 119.982 120.400 0.028 0.000 2.459 737 K HA 0.092 4.412 4.320 0.001 0.000 0.193 737 K C 1.206 177.813 176.600 0.012 0.000 1.030 737 K CA 0.144 56.435 56.287 0.008 0.000 1.026 737 K CB 0.088 32.580 32.500 -0.014 0.000 0.809 737 K HN 0.111 nan 8.250 nan 0.000 0.504 738 S N -0.036 115.678 115.700 0.023 0.000 2.232 738 S HA 0.231 4.702 4.470 0.001 0.000 0.240 738 S C -0.021 174.585 174.600 0.011 0.000 1.224 738 S CA -0.336 57.875 58.200 0.018 0.000 1.019 738 S CB 0.167 63.384 63.200 0.029 0.000 1.039 738 S HN -0.101 nan 8.310 nan 0.000 0.439 739 K N 1.369 121.771 120.400 0.004 0.000 2.143 739 K HA 0.309 4.630 4.320 0.001 0.000 0.272 739 K C -0.570 176.020 176.600 -0.016 0.000 1.001 739 K CA -0.047 56.236 56.287 -0.008 0.000 0.915 739 K CB 0.660 33.151 32.500 -0.016 0.000 1.047 739 K HN 0.215 nan 8.250 nan 0.000 0.458 740 Q N 4.249 124.037 119.800 -0.021 0.000 2.516 740 Q HA 0.060 4.401 4.340 0.001 0.000 0.245 740 Q C 0.832 176.796 176.000 -0.061 0.000 0.958 740 Q CA 0.012 55.796 55.803 -0.032 0.000 0.959 740 Q CB -0.505 28.220 28.738 -0.022 0.000 1.403 740 Q HN 0.526 nan 8.270 nan 0.000 0.405 741 I N 0.485 121.010 120.570 -0.075 0.000 3.187 741 I HA -0.373 3.797 4.170 0.001 0.000 0.193 741 I C 0.916 176.934 176.117 -0.165 0.000 0.840 741 I CA 1.944 63.172 61.300 -0.121 0.000 1.121 741 I CB -1.604 36.306 38.000 -0.151 0.000 0.859 741 I HN 0.417 nan 8.210 nan 0.000 0.334 742 A N 1.024 123.701 122.820 -0.238 0.000 2.260 742 A HA 0.461 4.782 4.320 0.001 0.000 0.312 742 A C -1.341 176.196 177.584 -0.078 0.000 1.321 742 A CA -1.282 50.610 52.037 -0.241 0.000 0.928 742 A CB 0.678 19.330 19.000 -0.580 0.000 1.158 742 A HN 0.172 nan 8.150 nan 0.000 0.542 743 P HA -0.236 nan 4.420 nan 0.000 0.219 743 P C 0.824 178.131 177.300 0.012 0.000 1.158 743 P CA 1.760 64.850 63.100 -0.018 0.000 0.895 743 P CB 0.310 31.999 31.700 -0.018 0.000 0.792 744 E N -3.523 116.702 120.200 0.041 0.000 2.474 744 E HA -0.019 4.331 4.350 0.001 0.000 0.195 744 E C 1.221 177.879 176.600 0.097 0.000 1.039 744 E CA -0.032 56.403 56.400 0.058 0.000 0.881 744 E CB -0.195 29.531 29.700 0.042 0.000 0.970 744 E HN 0.327 nan 8.360 nan 0.000 0.486 745 Y N 1.506 121.730 120.300 -0.127 0.000 2.395 745 Y HA -0.088 4.463 4.550 0.001 0.000 0.293 745 Y C 2.313 178.032 175.900 -0.302 0.000 1.123 745 Y CA 0.761 58.731 58.100 -0.215 0.000 1.227 745 Y CB 0.189 38.479 38.460 -0.284 0.000 1.012 745 Y HN -0.128 nan 8.280 nan 0.000 0.552 746 K N 0.852 121.224 120.400 -0.047 0.000 2.152 746 K HA -0.200 4.120 4.320 0.001 0.000 0.206 746 K C 1.132 177.749 176.600 0.028 0.000 1.048 746 K CA 1.627 57.878 56.287 -0.061 0.000 0.933 746 K CB -0.219 32.274 32.500 -0.011 0.000 0.721 746 K HN 0.377 nan 8.250 nan 0.000 0.447 747 N N -0.244 118.492 118.700 0.060 0.000 2.171 747 N HA -0.143 4.598 4.740 0.001 0.000 0.184 747 N C 1.548 177.188 175.510 0.217 0.000 1.021 747 N CA 0.997 54.112 53.050 0.108 0.000 0.854 747 N CB -0.502 38.022 38.487 0.063 0.000 0.994 747 N HN 0.177 nan 8.380 nan 0.000 0.426 748 Y N 0.584 120.935 120.300 0.084 0.000 2.193 748 Y HA -0.201 4.349 4.550 0.001 0.000 0.285 748 Y C 1.477 177.702 175.900 0.541 0.000 1.166 748 Y CA 1.531 59.783 58.100 0.255 0.000 1.181 748 Y CB -0.469 38.065 38.460 0.124 0.000 0.976 748 Y HN 0.120 nan 8.280 nan 0.000 0.520 749 F N 0.137 120.139 119.950 0.087 0.000 2.219 749 F HA -0.178 4.349 4.527 0.001 0.000 0.294 749 F C 2.576 178.367 175.800 -0.014 0.000 1.086 749 F CA 0.542 58.532 58.000 -0.017 0.000 1.330 749 F CB -0.453 38.580 39.000 0.054 0.000 1.047 749 F HN 0.106 nan 8.300 nan 0.000 0.495 750 Q N 0.251 120.198 119.800 0.246 0.000 2.297 750 Q HA -0.281 4.059 4.340 0.001 0.000 0.208 750 Q C 1.780 177.880 176.000 0.166 0.000 0.981 750 Q CA 1.766 57.663 55.803 0.158 0.000 0.876 750 Q CB -0.833 27.985 28.738 0.134 0.000 0.921 750 Q HN 0.581 nan 8.270 nan 0.000 0.446 751 Y N 1.470 121.786 120.300 0.027 0.000 2.177 751 Y HA -0.008 4.543 4.550 0.001 0.000 0.291 751 Y C 1.937 177.787 175.900 -0.084 0.000 1.117 751 Y CA 0.913 59.002 58.100 -0.018 0.000 1.114 751 Y CB -0.367 38.091 38.460 -0.004 0.000 1.017 751 Y HN 0.020 nan 8.280 nan 0.000 0.505 752 L N 0.424 121.472 121.223 -0.291 0.000 1.990 752 L HA -0.324 4.017 4.340 0.001 0.000 0.213 752 L C 2.426 179.133 176.870 -0.271 0.000 1.072 752 L CA 2.177 56.753 54.840 -0.441 0.000 0.755 752 L CB -0.741 41.056 42.059 -0.437 0.000 0.889 752 L HN 0.190 nan 8.230 nan 0.000 0.432 753 K N -0.255 120.072 120.400 -0.123 0.000 2.127 753 K HA -0.285 4.036 4.320 0.001 0.000 0.208 753 K C 2.029 178.623 176.600 -0.011 0.000 1.047 753 K CA 1.912 58.225 56.287 0.044 0.000 0.927 753 K CB -0.196 32.347 32.500 0.073 0.000 0.716 753 K HN 0.381 nan 8.250 nan 0.000 0.450 754 E N 0.818 120.972 120.200 -0.078 0.000 2.072 754 E HA -0.168 4.182 4.350 0.001 0.000 0.191 754 E C 2.062 178.535 176.600 -0.212 0.000 0.985 754 E CA 0.800 57.137 56.400 -0.106 0.000 0.801 754 E CB 0.210 29.897 29.700 -0.021 0.000 0.750 754 E HN 0.209 nan 8.360 nan 0.000 0.452 755 R N 0.338 120.654 120.500 -0.307 0.000 2.070 755 R HA -0.116 4.224 4.340 0.001 0.000 0.233 755 R C 2.471 178.596 176.300 -0.293 0.000 1.137 755 R CA 1.245 57.154 56.100 -0.317 0.000 0.945 755 R CB -0.404 29.641 30.300 -0.426 0.000 0.845 755 R HN 0.300 nan 8.270 nan 0.000 0.430 756 I N 0.934 121.327 120.570 -0.295 0.000 2.194 756 I HA -0.285 3.886 4.170 0.001 0.000 0.246 756 I C 2.214 178.036 176.117 -0.493 0.000 1.093 756 I CA 1.696 62.811 61.300 -0.310 0.000 1.355 756 I CB -1.521 36.372 38.000 -0.178 0.000 1.046 756 I HN 0.208 nan 8.210 nan 0.000 0.413 757 T N 1.886 116.064 114.554 -0.627 0.000 2.652 757 T HA -0.149 4.201 4.350 0.001 0.000 0.267 757 T C 1.709 176.048 174.700 -0.601 0.000 1.039 757 T CA 1.729 63.239 62.100 -0.983 0.000 1.153 757 T CB -0.285 68.148 68.868 -0.724 0.000 0.863 757 T HN 0.351 nan 8.240 nan 0.000 0.428 758 N N 1.170 119.663 118.700 -0.345 0.000 2.069 758 N HA -0.127 4.614 4.740 0.001 0.000 0.191 758 N C 1.995 177.409 175.510 -0.161 0.000 1.031 758 N CA 1.203 54.131 53.050 -0.203 0.000 0.852 758 N CB -0.673 37.734 38.487 -0.133 0.000 1.018 758 N HN 0.339 nan 8.380 nan 0.000 0.423 759 Q N 1.336 121.033 119.800 -0.171 0.000 2.045 759 Q HA -0.078 4.263 4.340 0.001 0.000 0.206 759 Q C 1.997 177.963 176.000 -0.056 0.000 0.991 759 Q CA 1.413 57.158 55.803 -0.096 0.000 0.851 759 Q CB -0.499 28.160 28.738 -0.131 0.000 0.911 759 Q HN 0.166 nan 8.270 nan 0.000 0.418 760 V N 0.473 120.309 119.914 -0.130 0.000 2.223 760 V HA -0.283 3.838 4.120 0.001 0.000 0.244 760 V C 2.332 178.434 176.094 0.013 0.000 1.045 760 V CA 2.171 64.448 62.300 -0.038 0.000 1.000 760 V CB -0.903 30.861 31.823 -0.099 0.000 0.635 760 V HN 0.528 nan 8.190 nan 0.000 0.445 761 Q N -0.430 119.334 119.800 -0.060 0.000 2.458 761 Q HA -0.230 4.111 4.340 0.001 0.000 0.215 761 Q C 1.646 177.666 176.000 0.035 0.000 0.989 761 Q CA 1.782 57.600 55.803 0.026 0.000 0.895 761 Q CB -0.487 28.239 28.738 -0.021 0.000 0.934 761 Q HN 0.581 nan 8.270 nan 0.000 0.475 762 L N -1.143 120.092 121.223 0.021 0.000 2.102 762 L HA 0.089 4.430 4.340 0.001 0.000 0.202 762 L C 1.887 178.822 176.870 0.108 0.000 1.076 762 L CA 1.166 56.039 54.840 0.054 0.000 0.761 762 L CB -0.264 41.821 42.059 0.043 0.000 0.921 762 L HN 0.313 nan 8.230 nan 0.000 0.444 763 L N -1.078 120.207 121.223 0.104 0.000 2.131 763 L HA -0.224 4.117 4.340 0.001 0.000 0.210 763 L C 2.380 179.329 176.870 0.133 0.000 1.092 763 L CA 1.019 55.928 54.840 0.116 0.000 0.759 763 L CB -0.535 41.578 42.059 0.089 0.000 0.903 763 L HN 0.312 nan 8.230 nan 0.000 0.435 764 L N -0.510 120.789 121.223 0.127 0.000 2.005 764 L HA -0.166 4.174 4.340 0.001 0.000 0.207 764 L C 2.831 179.763 176.870 0.102 0.000 1.072 764 L CA 1.894 56.806 54.840 0.120 0.000 0.744 764 L CB -1.006 41.133 42.059 0.132 0.000 0.895 764 L HN 0.405 nan 8.230 nan 0.000 0.433 765 T N -4.506 110.103 114.554 0.091 0.000 2.929 765 T HA -0.248 4.103 4.350 0.001 0.000 0.271 765 T C 1.883 176.621 174.700 0.063 0.000 1.085 765 T CA 1.002 63.139 62.100 0.061 0.000 1.125 765 T CB -0.543 68.346 68.868 0.036 0.000 0.874 765 T HN 0.310 nan 8.240 nan 0.000 0.494 766 H N 1.019 120.105 119.070 0.027 0.000 2.457 766 H HA 0.075 4.632 4.556 0.001 0.000 0.294 766 H C 2.118 177.457 175.328 0.018 0.000 1.064 766 H CA 1.424 57.485 56.048 0.022 0.000 1.330 766 H CB 0.264 30.041 29.762 0.025 0.000 1.395 766 H HN 0.556 nan 8.280 nan 0.000 0.541 767 Q N -0.243 119.642 119.800 0.143 0.000 2.530 767 Q HA 0.109 4.450 4.340 0.001 0.000 0.198 767 Q C 0.932 176.961 176.000 0.048 0.000 0.956 767 Q CA -0.073 55.783 55.803 0.088 0.000 0.870 767 Q CB 1.020 29.798 28.738 0.067 0.000 1.050 767 Q HN 0.129 nan 8.270 nan 0.000 0.604 774 K N 2.254 122.646 120.400 -0.014 0.000 2.107 774 K HA -0.167 4.154 4.320 0.001 0.000 0.211 774 K C 1.849 178.434 176.600 -0.025 0.000 1.049 774 K CA 2.315 58.577 56.287 -0.042 0.000 0.927 774 K CB -1.135 31.425 32.500 0.101 0.000 0.714 774 K HN 0.532 nan 8.250 nan 0.000 0.452 775 L N 0.131 121.356 121.223 0.003 0.000 1.950 775 L HA -0.271 4.069 4.340 0.001 0.000 0.233 775 L C 2.299 179.167 176.870 -0.004 0.000 1.090 775 L CA 1.428 56.277 54.840 0.015 0.000 0.809 775 L CB -1.243 40.834 42.059 0.031 0.000 0.905 775 L HN 0.004 nan 8.230 nan 0.000 0.439 776 L N -1.402 119.813 121.223 -0.012 0.000 2.351 776 L HA -0.219 4.122 4.340 0.001 0.000 0.220 776 L C 2.099 178.958 176.870 -0.018 0.000 1.127 776 L CA 1.282 56.127 54.840 0.009 0.000 0.786 776 L CB -1.164 40.935 42.059 0.068 0.000 0.914 776 L HN 0.242 nan 8.230 nan 0.000 0.443 777 Y N -0.132 120.014 120.300 -0.258 0.000 2.473 777 Y HA -0.008 4.543 4.550 0.001 0.000 0.329 777 Y C 1.753 177.661 175.900 0.013 0.000 1.207 777 Y CA 0.296 58.264 58.100 -0.221 0.000 1.266 777 Y CB -0.320 37.862 38.460 -0.464 0.000 1.091 777 Y HN 0.013 nan 8.280 nan 0.000 0.501 778 K N -0.420 119.925 120.400 -0.092 0.000 2.312 778 K HA 0.065 4.386 4.320 0.001 0.000 0.206 778 K C 1.123 177.675 176.600 -0.080 0.000 1.121 778 K CA 0.512 56.756 56.287 -0.073 0.000 0.923 778 K CB -0.245 32.249 32.500 -0.010 0.000 1.162 778 K HN 0.455 nan 8.250 nan 0.000 0.478 779 Q N 2.507 122.272 119.800 -0.058 0.000 2.292 779 Q HA 0.093 4.434 4.340 0.001 0.000 0.235 779 Q C -0.408 175.538 176.000 -0.090 0.000 0.910 779 Q CA 0.195 55.967 55.803 -0.052 0.000 0.952 779 Q CB -0.889 27.841 28.738 -0.013 0.000 1.089 779 Q HN 0.015 nan 8.270 nan 0.000 0.431 780 L N -2.125 118.963 121.223 -0.226 0.000 2.350 780 L HA 0.524 4.864 4.340 0.001 0.000 0.260 780 L C -0.664 175.746 176.870 -0.766 0.000 1.015 780 L CA -1.470 53.141 54.840 -0.383 0.000 0.821 780 L CB 0.888 42.709 42.059 -0.396 0.000 1.370 780 L HN -0.042 nan 8.230 nan 0.000 0.416 781 N N 0.162 118.464 118.700 -0.664 0.000 2.495 781 N HA 0.676 5.417 4.740 0.001 0.000 0.280 781 N C -0.941 174.033 175.510 -0.895 0.000 1.168 781 N CA -0.444 52.232 53.050 -0.623 0.000 0.978 781 N CB 1.135 39.500 38.487 -0.204 0.000 1.191 781 N HN 0.652 nan 8.380 nan 0.000 0.497 782 F N -1.980 117.971 119.950 0.003 0.000 3.083 782 F HA 0.090 4.618 4.527 0.001 0.000 0.355 782 F C 1.681 177.497 175.800 0.026 0.000 1.194 782 F CA -0.557 57.452 58.000 0.016 0.000 1.027 782 F CB -0.360 38.640 39.000 -0.000 0.000 1.386 782 F HN 0.429 nan 8.300 nan 0.000 0.513 783 T N -2.147 112.503 114.554 0.159 0.000 2.634 783 T HA 0.066 4.417 4.350 0.001 0.000 0.243 783 T C 0.994 175.750 174.700 0.093 0.000 1.121 783 T CA 1.157 63.327 62.100 0.116 0.000 1.315 783 T CB 0.340 69.252 68.868 0.074 0.000 0.944 783 T HN 0.026 nan 8.240 nan 0.000 0.402 784 E N 1.811 122.053 120.200 0.069 0.000 2.989 784 E HA 0.394 4.744 4.350 0.001 0.000 0.182 784 E C -0.549 176.092 176.600 0.068 0.000 0.730 784 E CA -0.292 56.146 56.400 0.064 0.000 1.204 784 E CB 0.764 30.493 29.700 0.049 0.000 1.863 784 E HN 0.654 nan 8.360 nan 0.000 0.366 785 N N -0.179 118.558 118.700 0.063 0.000 2.545 785 N HA 0.175 4.915 4.740 0.001 0.000 0.283 785 N C -0.095 175.464 175.510 0.080 0.000 1.596 785 N CA -0.046 53.050 53.050 0.078 0.000 0.862 785 N CB 0.904 39.438 38.487 0.080 0.000 1.422 785 N HN 0.087 nan 8.380 nan 0.000 0.489 786 E N -0.467 119.777 120.200 0.075 0.000 3.968 786 E HA 0.218 4.568 4.350 0.001 0.000 0.219 786 E C -0.451 176.202 176.600 0.088 0.000 1.310 786 E CA 0.655 57.102 56.400 0.078 0.000 1.622 786 E CB 0.343 30.079 29.700 0.060 0.000 1.730 786 E HN 0.108 nan 8.360 nan 0.000 0.629 787 T N 2.008 116.608 114.554 0.078 0.000 3.514 787 T HA 0.254 4.604 4.350 0.001 0.000 0.259 787 T C -0.350 174.386 174.700 0.060 0.000 1.466 787 T CA -0.146 62.014 62.100 0.099 0.000 1.562 787 T CB 0.438 69.360 68.868 0.091 0.000 0.924 787 T HN -0.014 nan 8.240 nan 0.000 0.678 788 D N 0.296 120.736 120.400 0.067 0.000 2.348 788 D HA 0.139 4.780 4.640 0.001 0.000 0.283 788 D C 1.411 177.733 176.300 0.038 0.000 1.096 788 D CA 0.318 54.337 54.000 0.032 0.000 0.863 788 D CB 0.691 41.508 40.800 0.028 0.000 1.465 788 D HN 0.335 nan 8.370 nan 0.000 0.515 789 N N 0.011 118.769 118.700 0.096 0.000 2.278 789 N HA -0.080 4.661 4.740 0.001 0.000 0.181 789 N C 1.650 177.290 175.510 0.216 0.000 1.023 789 N CA 0.273 53.401 53.050 0.131 0.000 0.862 789 N CB -0.083 38.504 38.487 0.167 0.000 1.003 789 N HN -0.017 nan 8.380 nan 0.000 0.431 790 F N 3.014 122.922 119.950 -0.071 0.000 2.287 790 F HA -0.129 4.399 4.527 0.001 0.000 0.301 790 F C 1.709 177.400 175.800 -0.182 0.000 1.069 790 F CA 1.222 58.898 58.000 -0.539 0.000 1.372 790 F CB -0.133 38.422 39.000 -0.741 0.000 1.056 790 F HN -0.070 nan 8.300 nan 0.000 0.523 791 E N 0.234 120.334 120.200 -0.166 0.000 2.014 791 E HA -0.089 4.262 4.350 0.001 0.000 0.190 791 E C 2.493 179.009 176.600 -0.139 0.000 0.980 791 E CA 1.643 57.897 56.400 -0.244 0.000 0.807 791 E CB -1.111 28.504 29.700 -0.142 0.000 0.770 791 E HN 0.195 nan 8.360 nan 0.000 0.451 792 V N 1.783 121.675 119.914 -0.037 0.000 2.370 792 V HA -0.280 3.841 4.120 0.001 0.000 0.252 792 V C 2.082 178.201 176.094 0.041 0.000 1.068 792 V CA 1.863 64.157 62.300 -0.009 0.000 1.061 792 V CB -0.641 31.188 31.823 0.010 0.000 0.656 792 V HN 0.163 nan 8.190 nan 0.000 0.455 793 F N 1.350 121.269 119.950 -0.053 0.000 2.011 793 F HA -0.243 4.285 4.527 0.001 0.000 0.296 793 F C 2.636 178.399 175.800 -0.061 0.000 1.144 793 F CA 2.128 60.138 58.000 0.015 0.000 1.185 793 F CB -0.872 38.229 39.000 0.169 0.000 0.961 793 F HN 0.088 nan 8.300 nan 0.000 0.485 794 Q N 0.787 120.341 119.800 -0.411 0.000 2.165 794 Q HA -0.298 4.043 4.340 0.001 0.000 0.215 794 Q C 2.102 177.875 176.000 -0.378 0.000 1.010 794 Q CA 2.729 58.219 55.803 -0.521 0.000 0.896 794 Q CB -0.666 27.794 28.738 -0.463 0.000 0.956 794 Q HN 0.596 nan 8.270 nan 0.000 0.413 795 K N -0.178 120.071 120.400 -0.251 0.000 2.062 795 K HA -0.046 4.275 4.320 0.001 0.000 0.205 795 K C 2.188 178.699 176.600 -0.148 0.000 1.051 795 K CA 0.921 57.105 56.287 -0.170 0.000 0.941 795 K CB -0.118 32.310 32.500 -0.119 0.000 0.719 795 K HN 0.148 nan 8.250 nan 0.000 0.440 796 I N 2.204 122.694 120.570 -0.134 0.000 2.194 796 I HA -0.265 3.906 4.170 0.001 0.000 0.246 796 I C 2.648 178.701 176.117 -0.107 0.000 1.093 796 I CA 1.267 62.521 61.300 -0.077 0.000 1.355 796 I CB -1.300 36.708 38.000 0.014 0.000 1.046 796 I HN 0.213 nan 8.210 nan 0.000 0.413 797 I N 0.260 120.698 120.570 -0.220 0.000 2.208 797 I HA -0.173 3.998 4.170 0.001 0.000 0.245 797 I C 1.310 177.356 176.117 -0.118 0.000 1.097 797 I CA 1.204 62.392 61.300 -0.187 0.000 1.363 797 I CB -0.775 37.038 38.000 -0.311 0.000 1.051 797 I HN 0.080 nan 8.210 nan 0.000 0.413 798 D N 0.000 120.322 120.400 -0.130 0.000 6.856 798 D HA 0.000 4.641 4.640 0.001 0.000 0.175 798 D CA 0.000 53.946 54.000 -0.091 0.000 0.868 798 D CB 0.000 40.743 40.800 -0.094 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683