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 2x6j_1_A DATA FIRST_RESID 291 DATA SEQUENCE ASIRDQLHTI VYRYPPTYVL SSEEQDLVWK FRFYLSSHKK ALTKFLKCIN DATA SEQUENCE WKLEDEVTQA LWMLANWAPM DVEDALELLS PTFTHPQVRK YAVSRLAQAP DATA SEQUENCE DEDLLLYLLQ LVQALKYEDP RHIVHLHGCI FPXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX ANLCTFLIQR DATA SEQUENCE ACTNATLANY FYWYLSIEVE EXXXXXKQDE RAHDMYAMVL KMFLKVLENG DATA SEQUENCE NFNLRGIFYN LRKQRRFIDE LVKLVKLVAK EPGNRNKKTE KFQKLLAEQD DATA SEQUENCE MFKVNFTNFE PIPFPLDPEI YITKIVPMRT SLFKSALMPA KLTFVTSIAH DATA SEQUENCE HEYAAIFKHG DDLRQDQLIL QMITLMDKLL RRENLDLKLT PYKVLATSSK DATA SEQUENCE HGFLQYVDSC TVAEVLAREG NIHNFFRKHH PCDNGPYGIS AEVMDTYIKS DATA SEQUENCE CAGYCVITYL LGVGDRHLDN LLLTTNGKLF HIDFGYILGR DPKPMPPPMK DATA SEQUENCE LSKEMVEAMG GISSEHHHEF RKQCYTAYLH LRRHANVMLN LFSLMVDATV DATA SEQUENCE PDIALEPDKA VKKVEENLQL GLTDEEAVQH LQSLLDVSIT AVMPALVEQI DATA SEQUENCE HRFTQYWR 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 291 A HA 0.000 nan 4.320 nan 0.000 0.244 291 A C 0.000 177.573 177.584 -0.018 0.000 1.274 291 A CA 0.000 52.039 52.037 0.004 0.000 0.836 291 A CB 0.000 19.006 19.000 0.009 0.000 0.831 292 S N -0.644 115.046 115.700 -0.018 0.000 2.564 292 S HA 0.195 4.675 4.470 0.017 0.000 0.231 292 S C 1.648 176.230 174.600 -0.029 0.000 1.067 292 S CA 0.773 58.958 58.200 -0.025 0.000 0.908 292 S CB -0.183 63.008 63.200 -0.014 0.000 0.809 292 S HN 0.543 nan 8.310 nan 0.000 0.491 293 I N 3.148 123.704 120.570 -0.022 0.000 2.264 293 I HA -0.267 3.914 4.170 0.017 0.000 0.248 293 I C 2.650 178.750 176.117 -0.029 0.000 1.111 293 I CA 1.302 62.588 61.300 -0.024 0.000 1.382 293 I CB -0.223 37.767 38.000 -0.017 0.000 1.060 293 I HN 0.335 nan 8.210 nan 0.000 0.418 294 R N 0.534 121.015 120.500 -0.031 0.000 2.105 294 R HA -0.242 4.108 4.340 0.017 0.000 0.239 294 R C 1.732 178.010 176.300 -0.038 0.000 1.135 294 R CA 2.134 58.216 56.100 -0.031 0.000 0.967 294 R CB -0.852 29.398 30.300 -0.083 0.000 0.861 294 R HN 0.272 nan 8.270 nan 0.000 0.442 295 D N 0.268 120.618 120.400 -0.083 0.000 2.178 295 D HA -0.137 4.513 4.640 0.017 0.000 0.202 295 D C 1.977 178.292 176.300 0.026 0.000 0.974 295 D CA 1.099 55.064 54.000 -0.059 0.000 0.841 295 D CB 0.097 40.864 40.800 -0.055 0.000 0.953 295 D HN 0.379 nan 8.370 nan 0.000 0.478 296 Q N -0.876 118.912 119.800 -0.020 0.000 2.212 296 Q HA 0.008 4.359 4.340 0.017 0.000 0.199 296 Q C 2.333 178.252 176.000 -0.135 0.000 0.950 296 Q CA 0.643 56.410 55.803 -0.059 0.000 0.863 296 Q CB 0.132 28.836 28.738 -0.057 0.000 0.944 296 Q HN 0.444 nan 8.270 nan 0.000 0.465 297 L N -2.526 118.630 121.223 -0.111 0.000 2.156 297 L HA -0.060 4.291 4.340 0.017 0.000 0.208 297 L C 2.169 178.872 176.870 -0.278 0.000 1.095 297 L CA 1.399 56.133 54.840 -0.175 0.000 0.770 297 L CB -0.757 41.226 42.059 -0.127 0.000 0.914 297 L HN 0.125 nan 8.230 nan 0.000 0.439 298 H N -0.065 118.825 119.070 -0.299 0.000 2.389 298 H HA -0.126 4.441 4.556 0.017 0.000 0.299 298 H C 2.306 176.795 175.328 -1.398 0.000 1.081 298 H CA 2.029 57.802 56.048 -0.459 0.000 1.345 298 H CB 0.171 29.948 29.762 0.025 0.000 1.393 298 H HN 0.415 nan 8.280 nan 0.000 0.520 299 T N 0.782 114.846 114.554 -0.817 0.000 2.788 299 T HA -0.084 4.276 4.350 0.017 0.000 0.268 299 T C 2.095 176.414 174.700 -0.635 0.000 1.044 299 T CA 0.585 62.252 62.100 -0.721 0.000 1.139 299 T CB -0.166 68.679 68.868 -0.038 0.000 0.867 299 T HN 0.143 nan 8.240 nan 0.000 0.454 300 I N 1.044 121.229 120.570 -0.641 0.000 2.361 300 I HA -0.072 4.109 4.170 0.017 0.000 0.251 300 I C 2.336 178.145 176.117 -0.513 0.000 1.133 300 I CA 1.100 61.914 61.300 -0.811 0.000 1.413 300 I CB -0.804 36.819 38.000 -0.628 0.000 1.073 300 I HN 0.220 nan 8.210 nan 0.000 0.424 301 V N 0.177 119.800 119.914 -0.485 0.000 2.599 301 V HA -0.200 3.930 4.120 0.017 0.000 0.245 301 V C 2.087 178.117 176.094 -0.107 0.000 1.046 301 V CA 1.139 63.278 62.300 -0.268 0.000 1.065 301 V CB -0.761 30.913 31.823 -0.248 0.000 0.703 301 V HN 0.420 nan 8.190 nan 0.000 0.464 302 Y N -1.266 119.081 120.300 0.078 0.000 2.500 302 Y HA 0.412 4.972 4.550 0.017 0.000 0.270 302 Y C 2.003 177.975 175.900 0.119 0.000 1.134 302 Y CA 0.045 58.218 58.100 0.122 0.000 1.293 302 Y CB 0.138 38.705 38.460 0.179 0.000 1.063 302 Y HN -0.057 nan 8.280 nan 0.000 0.534 303 R N -0.748 119.926 120.500 0.290 0.000 2.615 303 R HA 0.240 4.591 4.340 0.017 0.000 0.448 303 R C -0.931 175.579 176.300 0.350 0.000 1.009 303 R CA 0.014 56.306 56.100 0.319 0.000 1.111 303 R CB 0.196 30.744 30.300 0.412 0.000 1.461 303 R HN 0.458 nan 8.270 nan 0.000 0.587 304 Y N 0.000 120.243 120.300 -0.095 0.000 3.183 304 Y HA 0.366 4.926 4.550 0.017 0.000 0.200 304 Y C -1.827 173.927 175.900 -0.244 0.000 0.912 304 Y CA -0.284 57.713 58.100 -0.171 0.000 1.642 304 Y CB 0.832 39.171 38.460 -0.202 0.000 1.447 304 Y HN 0.088 nan 8.280 nan 0.000 0.421 305 P HA 0.316 nan 4.420 nan 0.000 0.313 305 P C -2.567 174.613 177.300 -0.199 0.000 1.480 305 P CA -1.981 60.880 63.100 -0.398 0.000 1.132 305 P CB 2.989 33.939 31.700 -1.249 0.000 1.346 306 P HA -0.021 nan 4.420 nan 0.000 0.232 306 P C 1.074 178.427 177.300 0.089 0.000 1.170 306 P CA 0.950 64.062 63.100 0.020 0.000 0.824 306 P CB -0.027 31.675 31.700 0.002 0.000 0.896 307 T N -4.454 110.187 114.554 0.145 0.000 3.014 307 T HA -0.032 4.329 4.350 0.017 0.000 0.263 307 T C 1.006 175.853 174.700 0.246 0.000 1.078 307 T CA 0.009 62.213 62.100 0.173 0.000 1.135 307 T CB -1.491 67.474 68.868 0.162 0.000 0.895 307 T HN 0.013 nan 8.240 nan 0.000 0.480 308 Y N 1.898 122.214 120.300 0.026 0.000 2.804 308 Y HA 0.069 4.629 4.550 0.017 0.000 0.338 308 Y C 1.390 177.307 175.900 0.029 0.000 1.252 308 Y CA -0.980 57.134 58.100 0.023 0.000 1.576 308 Y CB 0.400 38.875 38.460 0.025 0.000 1.223 308 Y HN -0.070 nan 8.280 nan 0.000 0.536 309 V N 5.936 125.911 119.914 0.101 0.000 3.510 309 V HA -0.232 3.898 4.120 0.017 0.000 0.270 309 V C 2.012 178.142 176.094 0.060 0.000 1.201 309 V CA 0.725 63.064 62.300 0.065 0.000 1.166 309 V CB -0.633 31.196 31.823 0.011 0.000 0.825 309 V HN 0.853 nan 8.190 nan 0.000 0.484 310 L N 1.435 122.707 121.223 0.081 0.000 2.030 310 L HA -0.207 4.143 4.340 0.017 0.000 0.222 310 L C 1.845 178.756 176.870 0.070 0.000 1.082 310 L CA 1.823 56.702 54.840 0.065 0.000 0.785 310 L CB -0.358 41.816 42.059 0.192 0.000 0.895 310 L HN 0.618 nan 8.230 nan 0.000 0.439 311 S N -0.863 114.894 115.700 0.095 0.000 2.626 311 S HA -0.014 4.466 4.470 0.017 0.000 0.303 311 S C 0.701 175.329 174.600 0.046 0.000 1.256 311 S CA 0.202 58.438 58.200 0.060 0.000 1.069 311 S CB 1.262 64.501 63.200 0.066 0.000 0.807 311 S HN 0.434 nan 8.310 nan 0.000 0.500 312 S N 2.777 118.498 115.700 0.036 0.000 2.930 312 S HA 0.201 4.682 4.470 0.017 0.000 0.253 312 S C 0.942 175.571 174.600 0.049 0.000 1.083 312 S CA -0.122 58.099 58.200 0.036 0.000 0.836 312 S CB 0.122 63.335 63.200 0.021 0.000 0.814 312 S HN 0.836 nan 8.310 nan 0.000 0.467 313 E N 0.366 120.593 120.200 0.046 0.000 2.652 313 E HA 0.121 4.482 4.350 0.017 0.000 0.197 313 E C 1.020 177.654 176.600 0.058 0.000 0.936 313 E CA 0.113 56.547 56.400 0.056 0.000 1.638 313 E CB 0.174 29.898 29.700 0.041 0.000 1.884 313 E HN 0.195 nan 8.360 nan 0.000 1.005 314 E N 2.118 122.337 120.200 0.033 0.000 2.208 314 E HA -0.336 4.025 4.350 0.017 0.000 0.202 314 E C 2.009 178.640 176.600 0.051 0.000 1.014 314 E CA 1.896 58.303 56.400 0.013 0.000 0.819 314 E CB -0.296 29.378 29.700 -0.043 0.000 0.735 314 E HN 0.372 nan 8.360 nan 0.000 0.469 315 Q N 1.070 120.910 119.800 0.066 0.000 2.152 315 Q HA -0.241 4.109 4.340 0.017 0.000 0.206 315 Q C 1.111 177.205 176.000 0.157 0.000 0.985 315 Q CA 1.867 57.726 55.803 0.092 0.000 0.863 315 Q CB -0.260 28.518 28.738 0.067 0.000 0.904 315 Q HN 0.227 nan 8.270 nan 0.000 0.422 316 D N 1.490 121.994 120.400 0.174 0.000 2.144 316 D HA -0.119 4.532 4.640 0.017 0.000 0.200 316 D C 2.015 178.441 176.300 0.209 0.000 0.978 316 D CA 1.136 55.284 54.000 0.245 0.000 0.833 316 D CB -0.225 40.663 40.800 0.147 0.000 0.961 316 D HN 0.391 nan 8.370 nan 0.000 0.470 317 L N -0.124 121.203 121.223 0.172 0.000 2.093 317 L HA -0.090 4.260 4.340 0.017 0.000 0.208 317 L C 1.853 178.966 176.870 0.405 0.000 1.085 317 L CA 0.977 55.944 54.840 0.211 0.000 0.755 317 L CB -0.108 42.084 42.059 0.221 0.000 0.904 317 L HN -0.144 nan 8.230 nan 0.000 0.435 318 V N -0.498 119.676 119.914 0.433 0.000 2.490 318 V HA -0.244 3.886 4.120 0.017 0.000 0.250 318 V C 2.272 178.672 176.094 0.510 0.000 1.061 318 V CA 1.897 64.585 62.300 0.647 0.000 1.064 318 V CB -0.962 31.108 31.823 0.411 0.000 0.670 318 V HN 0.757 nan 8.190 nan 0.000 0.461 319 W N 2.394 123.758 121.300 0.108 0.000 2.342 319 W HA -0.225 4.445 4.660 0.018 0.000 0.297 319 W C 2.481 178.922 176.519 -0.130 0.000 1.213 319 W CA 2.372 59.727 57.345 0.017 0.000 1.251 319 W CB -0.288 29.131 29.460 -0.068 0.000 1.136 319 W HN 0.483 nan 8.180 nan 0.000 0.526 320 K N -1.325 119.025 120.400 -0.084 0.000 2.155 320 K HA -0.132 4.199 4.320 0.017 0.000 0.203 320 K C 1.795 178.083 176.600 -0.521 0.000 1.052 320 K CA 1.613 57.535 56.287 -0.608 0.000 0.948 320 K CB -1.205 30.794 32.500 -0.835 0.000 0.728 320 K HN 0.018 nan 8.250 nan 0.000 0.448 321 F N 1.545 121.506 119.950 0.018 0.000 2.530 321 F HA 0.267 4.804 4.527 0.017 0.000 0.292 321 F C 2.567 178.456 175.800 0.148 0.000 1.109 321 F CA 0.142 58.146 58.000 0.006 0.000 1.450 321 F CB -0.255 38.685 39.000 -0.099 0.000 1.114 321 F HN -0.052 nan 8.300 nan 0.000 0.560 322 R N 0.545 121.299 120.500 0.422 0.000 2.119 322 R HA -0.222 4.129 4.340 0.017 0.000 0.246 322 R C 1.940 178.476 176.300 0.393 0.000 1.146 322 R CA 2.009 58.371 56.100 0.436 0.000 0.962 322 R CB -0.719 29.931 30.300 0.583 0.000 0.863 322 R HN 0.294 nan 8.270 nan 0.000 0.442 323 F N -1.418 118.646 119.950 0.190 0.000 2.259 323 F HA -0.116 4.421 4.527 0.018 0.000 0.298 323 F C 1.791 177.706 175.800 0.191 0.000 1.088 323 F CA 0.515 58.632 58.000 0.196 0.000 1.358 323 F CB -0.077 39.081 39.000 0.262 0.000 1.040 323 F HN 0.078 nan 8.300 nan 0.000 0.505 324 Y N -0.073 120.344 120.300 0.194 0.000 2.301 324 Y HA 0.142 4.703 4.550 0.017 0.000 0.295 324 Y C 0.562 176.465 175.900 0.005 0.000 1.126 324 Y CA 0.083 58.237 58.100 0.089 0.000 1.154 324 Y CB 0.549 39.065 38.460 0.093 0.000 1.075 324 Y HN -0.186 nan 8.280 nan 0.000 0.534 325 L N -0.798 120.525 121.223 0.167 0.000 2.441 325 L HA 0.570 4.921 4.340 0.017 0.000 0.270 325 L C -0.824 175.983 176.870 -0.105 0.000 0.973 325 L CA -0.830 54.001 54.840 -0.015 0.000 0.842 325 L CB 1.885 43.940 42.059 -0.006 0.000 1.239 325 L HN -0.141 nan 8.230 nan 0.000 0.406 326 S N 1.045 116.554 115.700 -0.318 0.000 2.921 326 S HA 0.133 4.613 4.470 0.017 0.000 0.244 326 S C 1.137 175.610 174.600 -0.211 0.000 1.291 326 S CA 0.032 57.982 58.200 -0.416 0.000 1.010 326 S CB 1.102 63.424 63.200 -1.462 0.000 1.255 326 S HN 0.890 nan 8.310 nan 0.000 0.492 327 S N 1.978 117.576 115.700 -0.169 0.000 2.389 327 S HA -0.208 4.272 4.470 0.017 0.000 0.229 327 S C 0.652 175.081 174.600 -0.285 0.000 1.048 327 S CA 1.398 59.438 58.200 -0.267 0.000 1.117 327 S CB -0.389 62.617 63.200 -0.324 0.000 1.020 327 S HN 0.876 nan 8.310 nan 0.000 0.430 328 H N -1.145 117.953 119.070 0.046 0.000 2.966 328 H HA 0.433 4.999 4.556 0.018 0.000 0.330 328 H C 0.813 176.287 175.328 0.244 0.000 1.292 328 H CA -0.496 55.624 56.048 0.121 0.000 1.127 328 H CB 1.238 31.029 29.762 0.047 0.000 1.863 328 H HN 0.182 nan 8.280 nan 0.000 0.543 329 K N 0.443 121.047 120.400 0.339 0.000 2.113 329 K HA -0.145 4.185 4.320 0.017 0.000 0.208 329 K C 1.425 178.065 176.600 0.067 0.000 1.047 329 K CA 1.354 57.728 56.287 0.144 0.000 0.928 329 K CB 0.203 32.730 32.500 0.045 0.000 0.716 329 K HN 0.242 nan 8.250 nan 0.000 0.446 330 K N 0.847 121.308 120.400 0.103 0.000 2.147 330 K HA -0.043 4.288 4.320 0.017 0.000 0.205 330 K C 2.292 178.968 176.600 0.126 0.000 1.049 330 K CA 1.400 57.743 56.287 0.094 0.000 0.936 330 K CB -0.328 32.251 32.500 0.131 0.000 0.722 330 K HN 0.254 nan 8.250 nan 0.000 0.446 331 A N 1.734 124.661 122.820 0.179 0.000 1.929 331 A HA -0.090 4.240 4.320 0.017 0.000 0.216 331 A C 2.193 179.839 177.584 0.103 0.000 1.176 331 A CA 0.900 53.083 52.037 0.243 0.000 0.628 331 A CB -0.431 18.740 19.000 0.286 0.000 0.816 331 A HN 0.241 nan 8.150 nan 0.000 0.444 332 L N 0.575 121.676 121.223 -0.204 0.000 2.083 332 L HA -0.124 4.226 4.340 0.017 0.000 0.209 332 L C 2.526 179.066 176.870 -0.549 0.000 1.083 332 L CA 3.098 57.330 54.840 -1.013 0.000 0.752 332 L CB -1.302 39.964 42.059 -1.323 0.000 0.899 332 L HN 0.490 nan 8.230 nan 0.000 0.433 333 T N -2.749 111.669 114.554 -0.227 0.000 2.867 333 T HA -0.145 4.215 4.350 0.017 0.000 0.268 333 T C 1.880 176.602 174.700 0.036 0.000 1.057 333 T CA 1.211 63.265 62.100 -0.077 0.000 1.136 333 T CB -0.326 68.530 68.868 -0.021 0.000 0.874 333 T HN 0.354 nan 8.240 nan 0.000 0.466 334 K N 0.446 120.888 120.400 0.069 0.000 2.116 334 K HA 0.124 4.455 4.320 0.017 0.000 0.203 334 K C 2.005 178.711 176.600 0.178 0.000 1.052 334 K CA 0.934 57.309 56.287 0.147 0.000 0.952 334 K CB -0.690 31.931 32.500 0.203 0.000 0.729 334 K HN 0.658 nan 8.250 nan 0.000 0.446 335 F N 1.494 121.400 119.950 -0.073 0.000 2.186 335 F HA -0.149 4.388 4.527 0.018 0.000 0.299 335 F C 1.707 177.394 175.800 -0.189 0.000 1.090 335 F CA 0.510 58.449 58.000 -0.102 0.000 1.307 335 F CB 0.054 38.948 39.000 -0.177 0.000 1.019 335 F HN -0.162 nan 8.300 nan 0.000 0.489 336 L N 1.242 122.609 121.223 0.241 0.000 2.265 336 L HA -0.183 4.168 4.340 0.017 0.000 0.215 336 L C 2.189 178.988 176.870 -0.118 0.000 1.117 336 L CA 1.578 56.421 54.840 0.004 0.000 0.782 336 L CB -1.095 40.850 42.059 -0.190 0.000 0.914 336 L HN 0.306 nan 8.230 nan 0.000 0.441 337 K N -0.574 119.796 120.400 -0.050 0.000 2.148 337 K HA -0.147 4.183 4.320 0.017 0.000 0.204 337 K C 2.055 178.607 176.600 -0.080 0.000 1.050 337 K CA 1.589 57.803 56.287 -0.121 0.000 0.942 337 K CB 0.041 32.572 32.500 0.052 0.000 0.724 337 K HN 0.545 nan 8.250 nan 0.000 0.446 338 C N 0.138 119.416 119.300 -0.036 0.000 2.674 338 C HA 0.208 4.678 4.460 0.017 0.000 0.276 338 C C 2.330 177.328 174.990 0.013 0.000 1.300 338 C CA -0.727 58.287 59.018 -0.007 0.000 1.732 338 C CB -0.649 27.066 27.740 -0.042 0.000 2.076 338 C HN 0.385 nan 8.230 nan 0.000 0.548 339 I N 0.817 121.344 120.570 -0.072 0.000 2.731 339 I HA 0.066 4.246 4.170 0.017 0.000 0.260 339 I C 2.059 178.170 176.117 -0.009 0.000 1.138 339 I CA 1.231 62.459 61.300 -0.119 0.000 1.461 339 I CB -1.480 36.345 38.000 -0.291 0.000 1.128 339 I HN 0.197 nan 8.210 nan 0.000 0.438 340 N N 1.962 120.687 118.700 0.042 0.000 2.018 340 N HA -0.249 4.502 4.740 0.017 0.000 0.196 340 N C 1.832 177.401 175.510 0.098 0.000 1.043 340 N CA 2.577 55.663 53.050 0.061 0.000 0.856 340 N CB -0.716 37.791 38.487 0.034 0.000 1.042 340 N HN 0.794 nan 8.380 nan 0.000 0.423 341 W N 2.099 123.391 121.300 -0.015 0.000 2.338 341 W HA -0.089 4.582 4.660 0.017 0.000 0.304 341 W C 2.233 178.764 176.519 0.020 0.000 1.212 341 W CA 1.125 58.472 57.345 0.004 0.000 1.264 341 W CB -0.422 29.036 29.460 -0.004 0.000 1.142 341 W HN -0.060 nan 8.180 nan 0.000 0.512 342 K N -0.110 119.566 120.400 -1.207 0.000 2.062 342 K HA 0.002 4.332 4.320 0.017 0.000 0.205 342 K C 0.440 176.730 176.600 -0.517 0.000 1.051 342 K CA 0.878 56.364 56.287 -1.336 0.000 0.941 342 K CB -0.175 31.352 32.500 -1.620 0.000 0.719 342 K HN 0.076 nan 8.250 nan 0.000 0.440 343 L N 0.812 121.847 121.223 -0.314 0.000 2.410 343 L HA 0.175 4.526 4.340 0.017 0.000 0.270 343 L C 0.184 177.021 176.870 -0.055 0.000 0.983 343 L CA -0.106 54.647 54.840 -0.145 0.000 0.822 343 L CB 1.999 43.998 42.059 -0.100 0.000 1.285 343 L HN 0.194 nan 8.230 nan 0.000 0.409 344 E N 1.435 121.619 120.200 -0.027 0.000 2.106 344 E HA -0.189 4.171 4.350 0.017 0.000 0.192 344 E C 0.331 176.950 176.600 0.032 0.000 0.984 344 E CA 1.166 57.573 56.400 0.012 0.000 0.806 344 E CB 0.538 30.244 29.700 0.009 0.000 0.750 344 E HN 0.615 nan 8.360 nan 0.000 0.458 345 D N 0.373 120.789 120.400 0.027 0.000 2.194 345 D HA -0.104 4.547 4.640 0.017 0.000 0.204 345 D C 1.727 178.076 176.300 0.081 0.000 0.964 345 D CA 0.616 54.642 54.000 0.043 0.000 0.846 345 D CB 0.094 40.912 40.800 0.029 0.000 0.962 345 D HN 0.169 nan 8.370 nan 0.000 0.490 346 E N 0.153 120.408 120.200 0.092 0.000 2.152 346 E HA -0.096 4.264 4.350 0.017 0.000 0.192 346 E C 1.978 178.656 176.600 0.129 0.000 0.983 346 E CA 0.406 56.904 56.400 0.164 0.000 0.818 346 E CB 0.325 30.117 29.700 0.153 0.000 0.758 346 E HN -0.016 nan 8.360 nan 0.000 0.467 347 V N 1.085 121.049 119.914 0.084 0.000 2.427 347 V HA -0.239 3.891 4.120 0.017 0.000 0.248 347 V C 2.701 178.854 176.094 0.098 0.000 1.051 347 V CA 2.158 64.507 62.300 0.082 0.000 1.048 347 V CB -0.575 31.303 31.823 0.093 0.000 0.666 347 V HN 0.574 nan 8.190 nan 0.000 0.456 348 T N -1.929 112.685 114.554 0.099 0.000 2.821 348 T HA -0.308 4.053 4.350 0.017 0.000 0.267 348 T C 1.798 176.579 174.700 0.135 0.000 1.046 348 T CA 1.956 64.115 62.100 0.099 0.000 1.139 348 T CB -0.290 68.617 68.868 0.064 0.000 0.871 348 T HN 0.535 nan 8.240 nan 0.000 0.454 349 Q N 0.632 120.524 119.800 0.154 0.000 2.187 349 Q HA 0.181 4.532 4.340 0.017 0.000 0.199 349 Q C 2.462 178.610 176.000 0.247 0.000 0.957 349 Q CA 1.022 56.945 55.803 0.199 0.000 0.857 349 Q CB -0.442 28.432 28.738 0.228 0.000 0.929 349 Q HN 0.693 nan 8.270 nan 0.000 0.453 350 A N 0.552 123.503 122.820 0.218 0.000 1.968 350 A HA -0.060 4.271 4.320 0.017 0.000 0.217 350 A C 1.956 179.601 177.584 0.102 0.000 1.169 350 A CA 0.614 52.810 52.037 0.266 0.000 0.638 350 A CB -0.389 18.759 19.000 0.247 0.000 0.812 350 A HN 0.420 nan 8.150 nan 0.000 0.446 351 L N -2.458 118.811 121.223 0.078 0.000 2.109 351 L HA -0.154 4.197 4.340 0.017 0.000 0.207 351 L C 2.411 179.332 176.870 0.085 0.000 1.086 351 L CA 1.498 56.344 54.840 0.009 0.000 0.760 351 L CB -0.702 41.384 42.059 0.044 0.000 0.910 351 L HN 0.783 nan 8.230 nan 0.000 0.437 352 W N 0.128 121.420 121.300 -0.013 0.000 2.436 352 W HA -0.145 4.525 4.660 0.017 0.000 0.284 352 W C 2.509 179.028 176.519 0.002 0.000 1.225 352 W CA 0.790 58.133 57.345 -0.005 0.000 1.271 352 W CB 0.021 29.479 29.460 -0.003 0.000 1.114 352 W HN -0.012 nan 8.180 nan 0.000 0.559 353 M N 0.052 119.715 119.600 0.106 0.000 2.175 353 M HA -0.111 4.379 4.480 0.017 0.000 0.264 353 M C 2.236 178.571 176.300 0.057 0.000 1.063 353 M CA 1.338 56.673 55.300 0.057 0.000 1.119 353 M CB -1.546 31.235 32.600 0.302 0.000 1.377 353 M HN 0.274 nan 8.290 nan 0.000 0.415 354 L N -0.073 121.094 121.223 -0.093 0.000 2.109 354 L HA -0.042 4.309 4.340 0.017 0.000 0.207 354 L C 2.321 179.086 176.870 -0.176 0.000 1.086 354 L CA 1.356 56.033 54.840 -0.273 0.000 0.760 354 L CB -0.415 41.329 42.059 -0.525 0.000 0.910 354 L HN 0.178 nan 8.230 nan 0.000 0.437 355 A N 0.094 122.820 122.820 -0.156 0.000 1.968 355 A HA -0.154 4.176 4.320 0.017 0.000 0.217 355 A C 1.957 179.459 177.584 -0.136 0.000 1.169 355 A CA 1.605 53.581 52.037 -0.101 0.000 0.638 355 A CB -0.593 18.341 19.000 -0.109 0.000 0.812 355 A HN 0.567 nan 8.150 nan 0.000 0.446 356 N N -1.307 117.225 118.700 -0.280 0.000 2.250 356 N HA -0.065 4.686 4.740 0.017 0.000 0.181 356 N C 0.462 175.896 175.510 -0.126 0.000 1.017 356 N CA 0.059 52.914 53.050 -0.325 0.000 0.866 356 N CB -0.331 37.801 38.487 -0.592 0.000 0.985 356 N HN 0.619 nan 8.380 nan 0.000 0.429 357 W N 2.609 123.772 121.300 -0.227 0.000 2.477 357 W HA -0.009 4.662 4.660 0.018 0.000 0.339 357 W C 0.379 176.854 176.519 -0.074 0.000 1.195 357 W CA -0.601 56.653 57.345 -0.152 0.000 1.324 357 W CB 0.028 29.364 29.460 -0.207 0.000 1.170 357 W HN -0.014 nan 8.180 nan 0.000 0.570 358 A N 8.404 131.366 122.820 0.237 0.000 2.567 358 A HA 0.108 4.438 4.320 0.017 0.000 0.240 358 A C -1.901 175.877 177.584 0.324 0.000 1.053 358 A CA -0.784 51.401 52.037 0.246 0.000 0.755 358 A CB -0.685 18.447 19.000 0.219 0.000 0.978 358 A HN 0.285 nan 8.150 nan 0.000 0.507 359 P HA 0.113 nan 4.420 nan 0.000 0.271 359 P C -0.122 177.263 177.300 0.141 0.000 1.216 359 P CA -0.046 63.158 63.100 0.174 0.000 0.771 359 P CB 0.546 32.295 31.700 0.082 0.000 0.864 360 M N 2.423 122.120 119.600 0.163 0.000 2.243 360 M HA 0.085 4.575 4.480 0.017 0.000 0.341 360 M C 0.544 176.857 176.300 0.021 0.000 1.130 360 M CA 0.205 55.556 55.300 0.086 0.000 1.162 360 M CB 0.236 32.921 32.600 0.141 0.000 1.497 360 M HN 0.355 nan 8.290 nan 0.000 0.456 361 D N 1.901 122.299 120.400 -0.004 0.000 2.339 361 D HA 0.059 4.709 4.640 0.017 0.000 0.245 361 D C 1.068 177.350 176.300 -0.030 0.000 1.115 361 D CA -0.082 53.907 54.000 -0.019 0.000 0.917 361 D CB 1.510 42.295 40.800 -0.024 0.000 1.192 361 D HN 0.434 nan 8.370 nan 0.000 0.428 362 V N 2.318 122.218 119.914 -0.024 0.000 2.453 362 V HA -0.261 3.870 4.120 0.017 0.000 0.252 362 V C 2.061 178.097 176.094 -0.097 0.000 1.068 362 V CA 1.595 63.875 62.300 -0.034 0.000 1.070 362 V CB -0.471 31.381 31.823 0.050 0.000 0.664 362 V HN 0.506 nan 8.190 nan 0.000 0.461 363 E N 0.202 120.338 120.200 -0.106 0.000 2.106 363 E HA -0.174 4.187 4.350 0.017 0.000 0.192 363 E C 1.801 178.309 176.600 -0.154 0.000 0.984 363 E CA 1.257 57.547 56.400 -0.183 0.000 0.806 363 E CB -0.616 29.010 29.700 -0.123 0.000 0.750 363 E HN 0.612 nan 8.360 nan 0.000 0.458 364 D N 1.275 121.614 120.400 -0.101 0.000 2.178 364 D HA -0.031 4.620 4.640 0.017 0.000 0.202 364 D C 1.833 178.070 176.300 -0.106 0.000 0.974 364 D CA 1.472 55.418 54.000 -0.091 0.000 0.841 364 D CB -0.367 40.399 40.800 -0.056 0.000 0.953 364 D HN 0.217 nan 8.370 nan 0.000 0.478 365 A N 0.505 123.268 122.820 -0.095 0.000 1.978 365 A HA -0.148 4.183 4.320 0.017 0.000 0.220 365 A C 2.202 179.706 177.584 -0.132 0.000 1.170 365 A CA 1.032 53.012 52.037 -0.094 0.000 0.636 365 A CB -0.725 18.210 19.000 -0.109 0.000 0.810 365 A HN 0.222 nan 8.150 nan 0.000 0.448 366 L N -0.902 120.220 121.223 -0.169 0.000 2.109 366 L HA -0.134 4.216 4.340 0.017 0.000 0.207 366 L C 2.525 179.284 176.870 -0.185 0.000 1.086 366 L CA 1.689 56.422 54.840 -0.178 0.000 0.760 366 L CB -0.475 41.437 42.059 -0.246 0.000 0.910 366 L HN 0.540 nan 8.230 nan 0.000 0.437 367 E N 0.560 120.630 120.200 -0.217 0.000 2.153 367 E HA -0.198 4.163 4.350 0.017 0.000 0.194 367 E C 2.228 178.521 176.600 -0.512 0.000 0.988 367 E CA 0.919 57.138 56.400 -0.301 0.000 0.811 367 E CB 0.070 29.618 29.700 -0.253 0.000 0.746 367 E HN 0.481 nan 8.360 nan 0.000 0.466 368 L N 0.351 121.334 121.223 -0.400 0.000 2.156 368 L HA -0.092 4.258 4.340 0.017 0.000 0.208 368 L C 2.325 179.030 176.870 -0.275 0.000 1.095 368 L CA 0.621 55.206 54.840 -0.426 0.000 0.770 368 L CB -0.251 41.744 42.059 -0.107 0.000 0.914 368 L HN 0.259 nan 8.230 nan 0.000 0.439 369 L N -0.192 120.930 121.223 -0.168 0.000 2.552 369 L HA -0.006 4.344 4.340 0.017 0.000 0.227 369 L C 1.648 178.511 176.870 -0.010 0.000 1.146 369 L CA -0.239 54.571 54.840 -0.050 0.000 0.858 369 L CB -0.203 41.843 42.059 -0.021 0.000 0.969 369 L HN 0.248 nan 8.230 nan 0.000 0.451 370 S N 0.660 116.269 115.700 -0.152 0.000 2.580 370 S HA 0.072 4.553 4.470 0.017 0.000 0.266 370 S C -1.250 173.207 174.600 -0.239 0.000 1.354 370 S CA -0.915 57.181 58.200 -0.173 0.000 1.008 370 S CB 0.479 63.516 63.200 -0.272 0.000 0.898 370 S HN -0.004 nan 8.310 nan 0.000 0.555 371 P HA -0.002 nan 4.420 nan 0.000 0.233 371 P C 1.489 178.670 177.300 -0.198 0.000 1.167 371 P CA 1.198 63.949 63.100 -0.582 0.000 0.770 371 P CB -0.613 30.428 31.700 -1.098 0.000 0.837 372 T N -2.956 111.543 114.554 -0.091 0.000 2.777 372 T HA -0.080 4.281 4.350 0.017 0.000 0.266 372 T C 0.790 175.726 174.700 0.393 0.000 1.040 372 T CA 0.560 62.742 62.100 0.136 0.000 1.141 372 T CB -1.171 67.825 68.868 0.213 0.000 0.868 372 T HN 0.044 nan 8.240 nan 0.000 0.444 373 F N 2.534 122.461 119.950 -0.038 0.000 2.375 373 F HA 0.308 4.845 4.527 0.018 0.000 0.362 373 F C 1.545 177.363 175.800 0.030 0.000 1.129 373 F CA -1.279 56.724 58.000 0.006 0.000 1.154 373 F CB 1.076 40.076 39.000 0.001 0.000 1.205 373 F HN 0.056 nan 8.300 nan 0.000 0.513 374 T N 0.158 114.838 114.554 0.210 0.000 2.896 374 T HA -0.191 4.170 4.350 0.017 0.000 0.263 374 T C 0.656 175.464 174.700 0.179 0.000 1.050 374 T CA 0.667 62.858 62.100 0.151 0.000 1.140 374 T CB -0.393 68.538 68.868 0.106 0.000 0.877 374 T HN 0.519 nan 8.240 nan 0.000 0.457 375 H N 2.755 121.885 119.070 0.100 0.000 2.964 375 H HA 0.051 4.617 4.556 0.017 0.000 0.328 375 H C -1.745 173.640 175.328 0.095 0.000 1.030 375 H CA -1.498 54.600 56.048 0.084 0.000 1.445 375 H CB 0.932 30.726 29.762 0.054 0.000 1.449 375 H HN -0.086 nan 8.280 nan 0.000 0.581 376 P HA -0.222 nan 4.420 nan 0.000 0.216 376 P C 1.237 178.772 177.300 0.391 0.000 1.150 376 P CA 1.297 64.567 63.100 0.284 0.000 0.843 376 P CB 0.245 32.026 31.700 0.134 0.000 0.787 377 Q N -0.165 120.048 119.800 0.688 0.000 2.137 377 Q HA -0.090 4.261 4.340 0.017 0.000 0.198 377 Q C 1.808 177.851 176.000 0.072 0.000 0.960 377 Q CA 1.352 57.285 55.803 0.218 0.000 0.847 377 Q CB -1.069 27.690 28.738 0.034 0.000 0.915 377 Q HN 0.133 nan 8.270 nan 0.000 0.448 378 V N -1.026 118.889 119.914 0.001 0.000 2.453 378 V HA -0.096 4.034 4.120 0.017 0.000 0.247 378 V C 2.228 178.397 176.094 0.125 0.000 1.048 378 V CA 1.619 63.928 62.300 0.015 0.000 1.049 378 V CB -0.715 31.118 31.823 0.015 0.000 0.672 378 V HN 0.203 nan 8.190 nan 0.000 0.457 379 R N 1.145 121.729 120.500 0.141 0.000 2.081 379 R HA -0.147 4.204 4.340 0.017 0.000 0.235 379 R C 2.455 178.785 176.300 0.050 0.000 1.131 379 R CA 1.950 58.103 56.100 0.089 0.000 0.960 379 R CB -0.440 29.909 30.300 0.081 0.000 0.856 379 R HN 0.715 nan 8.270 nan 0.000 0.436 380 K N -0.142 120.306 120.400 0.080 0.000 2.097 380 K HA -0.189 4.141 4.320 0.017 0.000 0.205 380 K C 2.017 178.627 176.600 0.018 0.000 1.050 380 K CA 1.241 57.553 56.287 0.042 0.000 0.938 380 K CB -0.299 32.249 32.500 0.081 0.000 0.718 380 K HN 0.130 nan 8.250 nan 0.000 0.442 381 Y N 0.774 121.038 120.300 -0.059 0.000 2.263 381 Y HA -0.043 4.518 4.550 0.018 0.000 0.292 381 Y C 2.047 177.881 175.900 -0.110 0.000 1.130 381 Y CA 1.379 59.428 58.100 -0.085 0.000 1.179 381 Y CB -0.204 38.199 38.460 -0.096 0.000 0.998 381 Y HN 0.182 nan 8.280 nan 0.000 0.532 382 A N -0.622 122.223 122.820 0.042 0.000 1.930 382 A HA -0.111 4.220 4.320 0.017 0.000 0.217 382 A C 2.217 179.671 177.584 -0.217 0.000 1.175 382 A CA 1.806 53.809 52.037 -0.056 0.000 0.627 382 A CB -1.153 17.835 19.000 -0.019 0.000 0.815 382 A HN 0.337 nan 8.150 nan 0.000 0.443 383 V N 0.710 120.480 119.914 -0.241 0.000 2.548 383 V HA -0.183 3.948 4.120 0.017 0.000 0.249 383 V C 2.947 178.738 176.094 -0.505 0.000 1.055 383 V CA 2.126 64.176 62.300 -0.417 0.000 1.065 383 V CB -0.621 30.999 31.823 -0.338 0.000 0.681 383 V HN 0.812 nan 8.190 nan 0.000 0.462 384 S N 0.406 115.881 115.700 -0.376 0.000 2.402 384 S HA -0.176 4.305 4.470 0.017 0.000 0.229 384 S C 2.092 176.477 174.600 -0.358 0.000 1.021 384 S CA 0.721 58.716 58.200 -0.342 0.000 0.974 384 S CB -0.297 62.715 63.200 -0.312 0.000 0.800 384 S HN 0.430 nan 8.310 nan 0.000 0.484 385 R N 1.231 121.481 120.500 -0.418 0.000 2.115 385 R HA 0.250 4.601 4.340 0.017 0.000 0.230 385 R C 2.285 178.459 176.300 -0.209 0.000 1.111 385 R CA 0.798 56.703 56.100 -0.325 0.000 0.976 385 R CB -1.283 28.829 30.300 -0.313 0.000 0.870 385 R HN 0.461 nan 8.270 nan 0.000 0.445 386 L N -0.030 121.039 121.223 -0.257 0.000 2.109 386 L HA -0.005 4.346 4.340 0.017 0.000 0.207 386 L C 2.396 179.219 176.870 -0.078 0.000 1.086 386 L CA 1.121 55.862 54.840 -0.165 0.000 0.760 386 L CB -0.608 41.277 42.059 -0.290 0.000 0.910 386 L HN 0.124 nan 8.230 nan 0.000 0.437 387 A N -0.630 122.074 122.820 -0.195 0.000 1.930 387 A HA -0.251 4.080 4.320 0.017 0.000 0.217 387 A C 2.233 179.849 177.584 0.054 0.000 1.175 387 A CA 1.416 53.489 52.037 0.061 0.000 0.627 387 A CB -0.464 18.535 19.000 -0.002 0.000 0.815 387 A HN 0.436 nan 8.150 nan 0.000 0.443 388 Q N -0.273 119.509 119.800 -0.029 0.000 2.224 388 Q HA 0.056 4.407 4.340 0.017 0.000 0.203 388 Q C 0.995 176.996 176.000 0.002 0.000 0.970 388 Q CA 0.597 56.387 55.803 -0.021 0.000 0.865 388 Q CB -0.273 28.430 28.738 -0.058 0.000 0.922 388 Q HN 0.608 nan 8.270 nan 0.000 0.445 389 A N 2.978 125.806 122.820 0.013 0.000 2.462 389 A HA 0.269 4.599 4.320 0.017 0.000 0.243 389 A C -2.167 175.437 177.584 0.034 0.000 1.076 389 A CA -1.145 50.909 52.037 0.029 0.000 0.773 389 A CB -0.097 18.935 19.000 0.054 0.000 1.010 389 A HN 0.218 nan 8.150 nan 0.000 0.493 390 P HA 0.102 nan 4.420 nan 0.000 0.269 390 P C -0.432 176.864 177.300 -0.007 0.000 1.215 390 P CA -0.076 63.025 63.100 0.003 0.000 0.780 390 P CB 0.573 32.268 31.700 -0.008 0.000 0.898 391 D N 0.953 121.347 120.400 -0.009 0.000 2.149 391 D HA -0.222 4.429 4.640 0.017 0.000 0.198 391 D C 1.778 178.055 176.300 -0.039 0.000 0.990 391 D CA 1.824 55.814 54.000 -0.018 0.000 0.839 391 D CB -0.296 40.495 40.800 -0.014 0.000 0.948 391 D HN 0.660 nan 8.370 nan 0.000 0.460 392 E N 0.534 120.706 120.200 -0.048 0.000 2.152 392 E HA -0.151 4.209 4.350 0.017 0.000 0.192 392 E C 0.967 177.481 176.600 -0.142 0.000 0.983 392 E CA 1.137 57.495 56.400 -0.070 0.000 0.818 392 E CB -0.104 29.563 29.700 -0.055 0.000 0.758 392 E HN 0.096 nan 8.360 nan 0.000 0.467 393 D N 0.447 120.751 120.400 -0.160 0.000 2.194 393 D HA -0.053 4.597 4.640 0.017 0.000 0.204 393 D C 1.709 177.757 176.300 -0.421 0.000 0.964 393 D CA 0.447 54.264 54.000 -0.305 0.000 0.846 393 D CB -0.040 40.658 40.800 -0.170 0.000 0.962 393 D HN 0.129 nan 8.370 nan 0.000 0.490 394 L N 0.384 121.507 121.223 -0.167 0.000 2.217 394 L HA 0.033 4.383 4.340 0.017 0.000 0.211 394 L C 1.895 178.719 176.870 -0.077 0.000 1.107 394 L CA 0.922 55.733 54.840 -0.048 0.000 0.783 394 L CB -0.111 41.965 42.059 0.028 0.000 0.919 394 L HN 0.074 nan 8.230 nan 0.000 0.442 395 L N -1.833 119.320 121.223 -0.118 0.000 2.131 395 L HA -0.126 4.224 4.340 0.017 0.000 0.206 395 L C 2.328 179.121 176.870 -0.129 0.000 1.087 395 L CA 1.063 55.861 54.840 -0.069 0.000 0.767 395 L CB -0.142 41.892 42.059 -0.042 0.000 0.917 395 L HN 0.240 nan 8.230 nan 0.000 0.441 396 L N -0.916 120.136 121.223 -0.285 0.000 2.079 396 L HA -0.260 4.090 4.340 0.017 0.000 0.210 396 L C 2.268 179.041 176.870 -0.161 0.000 1.081 396 L CA 1.380 56.034 54.840 -0.310 0.000 0.752 396 L CB -0.274 41.489 42.059 -0.494 0.000 0.896 396 L HN 0.331 nan 8.230 nan 0.000 0.433 397 Y N -1.568 118.709 120.300 -0.040 0.000 2.475 397 Y HA -0.126 4.435 4.550 0.017 0.000 0.289 397 Y C 2.016 177.906 175.900 -0.017 0.000 1.121 397 Y CA -0.019 58.055 58.100 -0.044 0.000 1.257 397 Y CB -0.768 37.674 38.460 -0.030 0.000 1.026 397 Y HN 0.114 nan 8.280 nan 0.000 0.555 398 L N 0.320 121.627 121.223 0.141 0.000 2.085 398 L HA -0.270 4.080 4.340 0.017 0.000 0.218 398 L C 2.185 179.157 176.870 0.169 0.000 1.080 398 L CA 1.577 56.520 54.840 0.172 0.000 0.776 398 L CB -1.091 41.089 42.059 0.202 0.000 0.891 398 L HN 0.251 nan 8.230 nan 0.000 0.437 399 L N -0.769 120.498 121.223 0.073 0.000 2.081 399 L HA -0.255 4.095 4.340 0.017 0.000 0.212 399 L C 2.418 179.231 176.870 -0.095 0.000 1.080 399 L CA 1.886 56.630 54.840 -0.160 0.000 0.754 399 L CB -0.786 41.088 42.059 -0.307 0.000 0.893 399 L HN 0.437 nan 8.230 nan 0.000 0.433 400 Q N -1.202 118.581 119.800 -0.028 0.000 2.187 400 Q HA 0.021 4.372 4.340 0.017 0.000 0.199 400 Q C 2.178 178.185 176.000 0.013 0.000 0.957 400 Q CA 1.061 56.844 55.803 -0.033 0.000 0.857 400 Q CB -0.201 28.509 28.738 -0.047 0.000 0.929 400 Q HN 0.494 nan 8.270 nan 0.000 0.453 401 L N -0.635 120.630 121.223 0.069 0.000 2.141 401 L HA -0.130 4.221 4.340 0.017 0.000 0.209 401 L C 1.885 178.828 176.870 0.122 0.000 1.094 401 L CA 0.660 55.563 54.840 0.104 0.000 0.763 401 L CB -0.405 41.744 42.059 0.150 0.000 0.908 401 L HN 0.107 nan 8.230 nan 0.000 0.437 402 V N -0.927 119.061 119.914 0.122 0.000 2.453 402 V HA -0.191 3.939 4.120 0.017 0.000 0.247 402 V C 2.482 178.649 176.094 0.122 0.000 1.048 402 V CA 1.227 63.611 62.300 0.141 0.000 1.049 402 V CB -0.438 31.407 31.823 0.037 0.000 0.672 402 V HN 0.442 nan 8.190 nan 0.000 0.457 403 Q N 0.231 120.037 119.800 0.010 0.000 2.123 403 Q HA -0.027 4.324 4.340 0.017 0.000 0.199 403 Q C 2.444 178.298 176.000 -0.243 0.000 0.966 403 Q CA 1.670 57.429 55.803 -0.073 0.000 0.845 403 Q CB -0.612 28.074 28.738 -0.086 0.000 0.907 403 Q HN 0.632 nan 8.270 nan 0.000 0.439 404 A N 1.016 123.768 122.820 -0.114 0.000 1.972 404 A HA -0.111 4.220 4.320 0.017 0.000 0.219 404 A C 2.169 179.682 177.584 -0.119 0.000 1.169 404 A CA 0.727 52.710 52.037 -0.091 0.000 0.635 404 A CB -0.675 18.344 19.000 0.033 0.000 0.810 404 A HN 0.307 nan 8.150 nan 0.000 0.446 405 L N -0.830 120.374 121.223 -0.032 0.000 2.129 405 L HA -0.232 4.118 4.340 0.017 0.000 0.212 405 L C 2.494 179.273 176.870 -0.152 0.000 1.087 405 L CA 1.673 56.514 54.840 0.002 0.000 0.757 405 L CB -0.339 41.828 42.059 0.180 0.000 0.896 405 L HN 0.446 nan 8.230 nan 0.000 0.434 406 K N -1.119 119.087 120.400 -0.323 0.000 2.148 406 K HA -0.170 4.160 4.320 0.017 0.000 0.204 406 K C 1.881 178.385 176.600 -0.160 0.000 1.050 406 K CA 1.196 57.260 56.287 -0.372 0.000 0.942 406 K CB 0.001 32.200 32.500 -0.501 0.000 0.724 406 K HN 0.242 nan 8.250 nan 0.000 0.446 407 Y N 0.924 121.213 120.300 -0.019 0.000 2.420 407 Y HA 0.100 4.661 4.550 0.018 0.000 0.292 407 Y C 0.908 176.799 175.900 -0.014 0.000 1.119 407 Y CA -0.231 57.864 58.100 -0.010 0.000 1.229 407 Y CB -0.366 38.091 38.460 -0.005 0.000 1.026 407 Y HN 0.019 nan 8.280 nan 0.000 0.554 408 E N 2.157 122.414 120.200 0.096 0.000 2.384 408 E HA -0.073 4.288 4.350 0.017 0.000 0.266 408 E C -0.147 176.457 176.600 0.006 0.000 1.012 408 E CA -0.277 56.119 56.400 -0.007 0.000 0.901 408 E CB 0.418 30.078 29.700 -0.067 0.000 0.967 408 E HN 0.143 nan 8.360 nan 0.000 0.435 409 D N 5.803 126.211 120.400 0.013 0.000 2.488 409 D HA -0.051 4.599 4.640 0.017 0.000 0.238 409 D C -1.573 174.865 176.300 0.229 0.000 1.138 409 D CA -1.250 52.860 54.000 0.183 0.000 0.873 409 D CB 1.151 42.167 40.800 0.360 0.000 1.183 409 D HN 0.239 nan 8.370 nan 0.000 0.458 410 P HA -0.104 nan 4.420 nan 0.000 0.221 410 P C 1.281 178.657 177.300 0.127 0.000 1.150 410 P CA 0.677 63.839 63.100 0.102 0.000 0.800 410 P CB 0.336 32.070 31.700 0.057 0.000 0.787 411 R N -0.145 120.437 120.500 0.136 0.000 2.092 411 R HA -0.096 4.255 4.340 0.017 0.000 0.231 411 R C 2.520 178.881 176.300 0.101 0.000 1.119 411 R CA 1.347 57.496 56.100 0.082 0.000 0.970 411 R CB -1.421 28.889 30.300 0.016 0.000 0.864 411 R HN 0.331 nan 8.270 nan 0.000 0.440 412 H N -0.554 118.556 119.070 0.066 0.000 2.390 412 H HA -0.130 4.436 4.556 0.017 0.000 0.298 412 H C 1.916 177.302 175.328 0.097 0.000 1.106 412 H CA 1.850 57.930 56.048 0.053 0.000 1.297 412 H CB 0.009 29.794 29.762 0.039 0.000 1.375 412 H HN 0.250 nan 8.280 nan 0.000 0.509 413 I N 0.263 120.979 120.570 0.244 0.000 2.584 413 I HA -0.144 4.036 4.170 0.017 0.000 0.255 413 I C 2.335 178.570 176.117 0.198 0.000 1.145 413 I CA 0.298 61.715 61.300 0.195 0.000 1.462 413 I CB 0.122 38.202 38.000 0.135 0.000 1.102 413 I HN -0.018 nan 8.210 nan 0.000 0.433 414 V N 0.496 120.504 119.914 0.156 0.000 2.488 414 V HA -0.245 3.886 4.120 0.017 0.000 0.246 414 V C 2.518 178.705 176.094 0.156 0.000 1.046 414 V CA 1.780 64.136 62.300 0.094 0.000 1.053 414 V CB -0.963 30.877 31.823 0.027 0.000 0.679 414 V HN 0.509 nan 8.190 nan 0.000 0.458 415 H N 0.386 119.505 119.070 0.081 0.000 2.363 415 H HA -0.036 4.531 4.556 0.017 0.000 0.301 415 H C 2.154 177.563 175.328 0.136 0.000 1.074 415 H CA 1.699 57.797 56.048 0.082 0.000 1.354 415 H CB -0.116 29.675 29.762 0.047 0.000 1.397 415 H HN 0.365 nan 8.280 nan 0.000 0.516 416 L N 0.487 121.998 121.223 0.481 0.000 2.093 416 L HA -0.168 4.182 4.340 0.017 0.000 0.208 416 L C 2.833 179.917 176.870 0.356 0.000 1.085 416 L CA 1.632 56.711 54.840 0.398 0.000 0.755 416 L CB -0.562 41.656 42.059 0.266 0.000 0.904 416 L HN 0.367 nan 8.230 nan 0.000 0.435 417 H N -0.206 118.994 119.070 0.216 0.000 2.389 417 H HA -0.103 4.464 4.556 0.018 0.000 0.299 417 H C 1.841 177.308 175.328 0.232 0.000 1.081 417 H CA 1.643 57.820 56.048 0.216 0.000 1.345 417 H CB -0.261 29.551 29.762 0.083 0.000 1.393 417 H HN 0.345 nan 8.280 nan 0.000 0.520 418 G N 0.136 109.201 108.800 0.442 0.000 2.422 418 G HA2 -0.281 3.690 3.960 0.017 0.000 0.218 418 G HA3 -0.281 3.690 3.960 0.017 0.000 0.218 418 G C 2.240 177.249 174.900 0.181 0.000 1.146 418 G CA 0.996 46.251 45.100 0.258 0.000 0.769 418 G HN 0.620 nan 8.290 nan 0.000 0.547 419 C N 0.027 119.420 119.300 0.155 0.000 2.450 419 C HA 0.232 4.703 4.460 0.017 0.000 0.279 419 C C 2.744 177.789 174.990 0.091 0.000 1.335 419 C CA 0.591 59.676 59.018 0.112 0.000 1.749 419 C CB -0.894 26.959 27.740 0.189 0.000 1.963 419 C HN 0.413 nan 8.230 nan 0.000 0.501 420 I N -0.920 119.727 120.570 0.128 0.000 2.852 420 I HA 0.181 4.362 4.170 0.017 0.000 0.264 420 I C 0.746 176.708 176.117 -0.259 0.000 1.179 420 I CA 0.475 61.738 61.300 -0.061 0.000 1.480 420 I CB -0.199 37.764 38.000 -0.060 0.000 1.111 420 I HN 0.186 nan 8.210 nan 0.000 0.441 421 F N 0.967 120.885 119.950 -0.053 0.000 2.611 421 F HA 0.462 4.998 4.527 0.015 0.000 0.374 421 F C -1.624 174.191 175.800 0.025 0.000 1.110 421 F CA -2.313 55.666 58.000 -0.034 0.000 1.090 421 F CB -0.585 38.371 39.000 -0.073 0.000 1.388 421 F HN -0.266 nan 8.300 nan 0.000 0.501 532 N N 0.384 119.137 118.700 0.088 0.000 2.232 532 N HA -0.060 4.691 4.740 0.017 0.000 0.251 532 N C 1.102 176.658 175.510 0.076 0.000 1.242 532 N CA 0.806 53.893 53.050 0.062 0.000 0.837 532 N CB 0.474 39.044 38.487 0.137 0.000 1.079 532 N HN 1.349 nan 8.380 nan 0.000 0.461 533 L N 4.066 125.311 121.223 0.038 0.000 2.079 533 L HA -0.207 4.143 4.340 0.017 0.000 0.210 533 L C 2.629 179.635 176.870 0.227 0.000 1.081 533 L CA 1.981 56.901 54.840 0.133 0.000 0.752 533 L CB -0.538 41.562 42.059 0.068 0.000 0.896 533 L HN 0.823 nan 8.230 nan 0.000 0.433 534 C N -1.342 118.051 119.300 0.154 0.000 2.435 534 C HA -0.064 4.406 4.460 0.017 0.000 0.279 534 C C 2.981 178.072 174.990 0.168 0.000 1.321 534 C CA 0.678 59.803 59.018 0.178 0.000 1.752 534 C CB -2.054 25.788 27.740 0.171 0.000 1.959 534 C HN 0.740 nan 8.230 nan 0.000 0.500 535 T N -0.799 113.852 114.554 0.163 0.000 2.821 535 T HA -0.191 4.169 4.350 0.017 0.000 0.267 535 T C 1.553 176.324 174.700 0.119 0.000 1.046 535 T CA 1.571 63.756 62.100 0.142 0.000 1.139 535 T CB -0.853 68.094 68.868 0.132 0.000 0.871 535 T HN 0.668 nan 8.240 nan 0.000 0.454 536 F N 1.587 121.542 119.950 0.009 0.000 2.206 536 F HA 0.233 4.771 4.527 0.019 0.000 0.298 536 F C 1.942 177.697 175.800 -0.076 0.000 1.090 536 F CA 0.813 58.799 58.000 -0.024 0.000 1.323 536 F CB -0.258 38.724 39.000 -0.030 0.000 1.028 536 F HN 0.071 nan 8.300 nan 0.000 0.492 537 L N 0.276 121.294 121.223 -0.342 0.000 2.109 537 L HA -0.162 4.188 4.340 0.017 0.000 0.207 537 L C 2.385 178.841 176.870 -0.690 0.000 1.086 537 L CA 1.165 55.604 54.840 -0.669 0.000 0.760 537 L CB -0.580 41.207 42.059 -0.454 0.000 0.910 537 L HN 0.249 nan 8.230 nan 0.000 0.437 538 I N -0.800 119.611 120.570 -0.264 0.000 2.353 538 I HA -0.258 3.922 4.170 0.017 0.000 0.248 538 I C 2.551 178.655 176.117 -0.021 0.000 1.119 538 I CA 0.865 62.179 61.300 0.023 0.000 1.417 538 I CB -0.205 37.950 38.000 0.257 0.000 1.078 538 I HN 0.246 nan 8.210 nan 0.000 0.421 539 Q N 0.872 120.604 119.800 -0.112 0.000 2.079 539 Q HA -0.127 4.223 4.340 0.017 0.000 0.200 539 Q C 2.368 178.269 176.000 -0.165 0.000 0.974 539 Q CA 1.487 57.234 55.803 -0.092 0.000 0.840 539 Q CB 0.003 28.701 28.738 -0.067 0.000 0.898 539 Q HN 0.171 nan 8.270 nan 0.000 0.430 540 R N -0.755 119.526 120.500 -0.365 0.000 2.115 540 R HA 0.086 4.436 4.340 0.017 0.000 0.226 540 R C 1.905 178.057 176.300 -0.247 0.000 1.100 540 R CA 1.013 56.892 56.100 -0.368 0.000 0.980 540 R CB -0.434 29.467 30.300 -0.664 0.000 0.875 540 R HN 0.332 nan 8.270 nan 0.000 0.445 541 A N -0.118 122.547 122.820 -0.258 0.000 1.969 541 A HA -0.125 4.205 4.320 0.017 0.000 0.218 541 A C 2.384 180.026 177.584 0.098 0.000 1.169 541 A CA 1.209 53.178 52.037 -0.114 0.000 0.635 541 A CB -0.491 18.417 19.000 -0.154 0.000 0.810 541 A HN 0.384 nan 8.150 nan 0.000 0.445 542 C N -1.379 117.972 119.300 0.084 0.000 2.464 542 C HA 0.011 4.481 4.460 0.017 0.000 0.278 542 C C 2.883 177.880 174.990 0.011 0.000 1.375 542 C CA 1.171 60.225 59.018 0.060 0.000 1.761 542 C CB -1.273 26.479 27.740 0.021 0.000 1.944 542 C HN 0.613 nan 8.230 nan 0.000 0.509 543 T N 1.002 115.548 114.554 -0.014 0.000 2.777 543 T HA -0.100 4.261 4.350 0.017 0.000 0.266 543 T C 0.790 175.487 174.700 -0.005 0.000 1.040 543 T CA 1.268 63.358 62.100 -0.016 0.000 1.141 543 T CB -0.249 68.599 68.868 -0.034 0.000 0.868 543 T HN 0.530 nan 8.240 nan 0.000 0.444 544 N N 0.183 118.878 118.700 -0.008 0.000 2.372 544 N HA 0.445 5.195 4.740 0.017 0.000 0.285 544 N C 0.705 176.221 175.510 0.009 0.000 1.008 544 N CA 0.008 53.057 53.050 -0.002 0.000 0.880 544 N CB 1.779 40.260 38.487 -0.011 0.000 1.239 544 N HN 0.070 nan 8.380 nan 0.000 0.484 545 A N 2.680 125.501 122.820 0.002 0.000 1.940 545 A HA -0.175 4.156 4.320 0.017 0.000 0.219 545 A C 2.000 179.562 177.584 -0.037 0.000 1.176 545 A CA 2.557 54.588 52.037 -0.010 0.000 0.631 545 A CB -1.067 17.916 19.000 -0.028 0.000 0.814 545 A HN 0.845 nan 8.150 nan 0.000 0.446 546 T N -1.984 112.541 114.554 -0.048 0.000 2.821 546 T HA -0.014 4.347 4.350 0.017 0.000 0.267 546 T C 1.850 176.520 174.700 -0.050 0.000 1.046 546 T CA 1.324 63.365 62.100 -0.098 0.000 1.139 546 T CB -0.461 68.385 68.868 -0.036 0.000 0.871 546 T HN 0.286 nan 8.240 nan 0.000 0.454 547 L N 0.723 121.964 121.223 0.030 0.000 2.093 547 L HA 0.087 4.437 4.340 0.017 0.000 0.208 547 L C 3.330 180.254 176.870 0.088 0.000 1.085 547 L CA 1.179 56.059 54.840 0.066 0.000 0.755 547 L CB -0.754 41.299 42.059 -0.010 0.000 0.904 547 L HN 0.436 nan 8.230 nan 0.000 0.435 548 A N 0.528 123.415 122.820 0.111 0.000 1.933 548 A HA -0.274 4.056 4.320 0.017 0.000 0.218 548 A C 1.964 179.682 177.584 0.223 0.000 1.175 548 A CA 2.160 54.374 52.037 0.294 0.000 0.628 548 A CB -0.841 18.316 19.000 0.263 0.000 0.814 548 A HN 0.636 nan 8.150 nan 0.000 0.444 549 N N -2.520 116.200 118.700 0.034 0.000 2.250 549 N HA -0.141 4.609 4.740 0.017 0.000 0.181 549 N C 1.516 177.020 175.510 -0.010 0.000 1.017 549 N CA 1.175 54.197 53.050 -0.048 0.000 0.866 549 N CB -0.297 38.073 38.487 -0.195 0.000 0.985 549 N HN 0.389 nan 8.380 nan 0.000 0.429 550 Y N -0.799 119.510 120.300 0.015 0.000 2.365 550 Y HA 0.095 4.656 4.550 0.019 0.000 0.293 550 Y C 1.697 177.337 175.900 -0.433 0.000 1.119 550 Y CA 0.361 58.299 58.100 -0.269 0.000 1.203 550 Y CB -0.527 37.729 38.460 -0.341 0.000 1.026 550 Y HN 0.135 nan 8.280 nan 0.000 0.549 551 F N -0.719 119.128 119.950 -0.173 0.000 2.186 551 F HA -0.217 4.321 4.527 0.018 0.000 0.299 551 F C 2.349 177.982 175.800 -0.279 0.000 1.090 551 F CA 1.042 58.901 58.000 -0.235 0.000 1.307 551 F CB -0.930 37.863 39.000 -0.346 0.000 1.019 551 F HN 0.145 nan 8.300 nan 0.000 0.489 552 Y N -1.136 118.975 120.300 -0.316 0.000 2.242 552 Y HA -0.195 4.366 4.550 0.018 0.000 0.291 552 Y C 1.942 177.587 175.900 -0.425 0.000 1.137 552 Y CA 1.740 59.587 58.100 -0.422 0.000 1.181 552 Y CB -0.974 37.280 38.460 -0.343 0.000 0.989 552 Y HN 0.104 nan 8.280 nan 0.000 0.527 553 W N -1.410 119.768 121.300 -0.203 0.000 2.436 553 W HA -0.173 4.497 4.660 0.017 0.000 0.284 553 W C 1.757 178.210 176.519 -0.109 0.000 1.225 553 W CA 0.696 57.935 57.345 -0.177 0.000 1.271 553 W CB -0.286 29.177 29.460 0.004 0.000 1.114 553 W HN 0.079 nan 8.180 nan 0.000 0.559 554 Y N -0.171 120.139 120.300 0.017 0.000 2.286 554 Y HA -0.063 4.498 4.550 0.018 0.000 0.293 554 Y C 2.174 177.879 175.900 -0.324 0.000 1.124 554 Y CA 0.571 58.610 58.100 -0.102 0.000 1.178 554 Y CB -1.257 37.159 38.460 -0.073 0.000 1.010 554 Y HN -0.076 nan 8.280 nan 0.000 0.536 555 L N -0.527 120.487 121.223 -0.348 0.000 2.093 555 L HA -0.173 4.177 4.340 0.017 0.000 0.208 555 L C 2.333 178.958 176.870 -0.408 0.000 1.085 555 L CA 1.585 56.117 54.840 -0.513 0.000 0.755 555 L CB -0.673 40.986 42.059 -0.666 0.000 0.904 555 L HN 0.165 nan 8.230 nan 0.000 0.435 556 S N -0.026 115.406 115.700 -0.448 0.000 2.428 556 S HA -0.057 4.424 4.470 0.017 0.000 0.230 556 S C 1.864 176.392 174.600 -0.119 0.000 1.014 556 S CA 0.755 58.751 58.200 -0.340 0.000 0.957 556 S CB -0.508 62.370 63.200 -0.537 0.000 0.784 556 S HN 0.370 nan 8.310 nan 0.000 0.499 557 I N 1.572 122.106 120.570 -0.060 0.000 2.439 557 I HA -0.062 4.119 4.170 0.017 0.000 0.251 557 I C 2.506 178.586 176.117 -0.063 0.000 1.139 557 I CA 0.995 62.288 61.300 -0.011 0.000 1.438 557 I CB -0.346 37.669 38.000 0.025 0.000 1.085 557 I HN 0.182 nan 8.210 nan 0.000 0.427 558 E N 0.586 120.695 120.200 -0.152 0.000 2.216 558 E HA -0.044 4.316 4.350 0.017 0.000 0.192 558 E C 2.421 178.997 176.600 -0.041 0.000 0.988 558 E CA 0.783 57.092 56.400 -0.153 0.000 0.834 558 E CB 0.018 29.440 29.700 -0.462 0.000 0.772 558 E HN 0.311 nan 8.360 nan 0.000 0.479 559 V N 1.982 121.846 119.914 -0.083 0.000 2.649 559 V HA -0.132 3.998 4.120 0.017 0.000 0.248 559 V C 1.077 177.209 176.094 0.062 0.000 1.054 559 V CA 0.793 63.036 62.300 -0.096 0.000 1.073 559 V CB -0.372 31.365 31.823 -0.144 0.000 0.699 559 V HN 0.314 nan 8.190 nan 0.000 0.463 560 E N 0.826 121.070 120.200 0.073 0.000 2.422 560 E HA 0.070 4.430 4.350 0.017 0.000 0.260 560 E C -0.087 176.602 176.600 0.149 0.000 1.108 560 E CA -0.460 56.007 56.400 0.112 0.000 0.943 560 E CB 0.325 30.065 29.700 0.067 0.000 0.961 560 E HN 0.383 nan 8.360 nan 0.000 0.443 568 Q N 1.551 121.360 119.800 0.014 0.000 2.230 568 Q HA -0.039 4.312 4.340 0.017 0.000 0.202 568 Q C 1.074 177.090 176.000 0.027 0.000 0.963 568 Q CA 2.397 58.213 55.803 0.021 0.000 0.866 568 Q CB -0.442 28.313 28.738 0.028 0.000 0.931 568 Q HN 0.504 nan 8.270 nan 0.000 0.452 569 D N 0.423 120.839 120.400 0.027 0.000 2.133 569 D HA -0.217 4.434 4.640 0.017 0.000 0.195 569 D C 1.408 177.736 176.300 0.047 0.000 0.997 569 D CA 1.419 55.443 54.000 0.041 0.000 0.840 569 D CB -0.244 40.568 40.800 0.019 0.000 0.947 569 D HN 0.507 nan 8.370 nan 0.000 0.452 570 E N 0.382 120.585 120.200 0.006 0.000 2.110 570 E HA -0.132 4.228 4.350 0.017 0.000 0.193 570 E C 2.210 178.844 176.600 0.058 0.000 0.988 570 E CA 0.582 56.981 56.400 -0.002 0.000 0.804 570 E CB 0.016 29.701 29.700 -0.026 0.000 0.745 570 E HN 0.189 nan 8.360 nan 0.000 0.458 571 R N 0.417 120.939 120.500 0.036 0.000 2.073 571 R HA 0.038 4.388 4.340 0.017 0.000 0.229 571 R C 2.161 178.464 176.300 0.004 0.000 1.120 571 R CA 1.124 57.237 56.100 0.022 0.000 0.967 571 R CB -0.587 29.718 30.300 0.009 0.000 0.862 571 R HN 0.152 nan 8.270 nan 0.000 0.436 572 A N 0.002 122.822 122.820 -0.000 0.000 1.970 572 A HA -0.146 4.184 4.320 0.017 0.000 0.216 572 A C 2.006 179.576 177.584 -0.023 0.000 1.170 572 A CA 1.476 53.454 52.037 -0.099 0.000 0.645 572 A CB -0.588 18.368 19.000 -0.073 0.000 0.816 572 A HN 0.534 nan 8.150 nan 0.000 0.447 573 H N -0.247 118.832 119.070 0.014 0.000 2.389 573 H HA -0.089 4.477 4.556 0.017 0.000 0.299 573 H C 1.286 176.645 175.328 0.052 0.000 1.081 573 H CA 1.623 57.718 56.048 0.079 0.000 1.345 573 H CB -0.003 29.794 29.762 0.058 0.000 1.393 573 H HN 0.324 nan 8.280 nan 0.000 0.520 574 D N 0.513 121.032 120.400 0.199 0.000 2.178 574 D HA -0.151 4.500 4.640 0.017 0.000 0.202 574 D C 2.184 178.480 176.300 -0.007 0.000 0.974 574 D CA 0.971 55.041 54.000 0.117 0.000 0.841 574 D CB -0.177 40.691 40.800 0.115 0.000 0.953 574 D HN 0.460 nan 8.370 nan 0.000 0.478 575 M N -0.564 119.011 119.600 -0.041 0.000 2.236 575 M HA -0.108 4.383 4.480 0.017 0.000 0.266 575 M C 1.639 177.899 176.300 -0.067 0.000 1.070 575 M CA 1.260 56.511 55.300 -0.081 0.000 1.137 575 M CB -0.695 31.808 32.600 -0.161 0.000 1.378 575 M HN 0.033 nan 8.290 nan 0.000 0.426 576 Y N 0.482 120.738 120.300 -0.073 0.000 2.314 576 Y HA -0.083 4.477 4.550 0.017 0.000 0.293 576 Y C 2.576 178.391 175.900 -0.143 0.000 1.129 576 Y CA 1.005 59.040 58.100 -0.109 0.000 1.201 576 Y CB -0.174 38.208 38.460 -0.130 0.000 0.999 576 Y HN 0.439 nan 8.280 nan 0.000 0.541 577 A N -0.359 122.439 122.820 -0.037 0.000 1.930 577 A HA -0.237 4.094 4.320 0.017 0.000 0.217 577 A C 2.056 179.629 177.584 -0.018 0.000 1.175 577 A CA 1.638 53.610 52.037 -0.109 0.000 0.627 577 A CB -0.607 18.250 19.000 -0.237 0.000 0.815 577 A HN 0.455 nan 8.150 nan 0.000 0.443 578 M N -0.827 118.783 119.600 0.016 0.000 2.175 578 M HA -0.063 4.428 4.480 0.017 0.000 0.264 578 M C 1.948 178.306 176.300 0.096 0.000 1.063 578 M CA 1.267 56.607 55.300 0.066 0.000 1.119 578 M CB -0.259 32.395 32.600 0.090 0.000 1.377 578 M HN 0.161 nan 8.290 nan 0.000 0.415 579 V N -0.220 119.754 119.914 0.099 0.000 2.358 579 V HA -0.238 3.892 4.120 0.017 0.000 0.246 579 V C 2.224 178.389 176.094 0.119 0.000 1.047 579 V CA 1.733 64.112 62.300 0.132 0.000 1.035 579 V CB -0.547 31.361 31.823 0.141 0.000 0.658 579 V HN 0.548 nan 8.190 nan 0.000 0.452 580 L N -0.597 120.655 121.223 0.049 0.000 2.109 580 L HA -0.132 4.219 4.340 0.017 0.000 0.207 580 L C 2.465 179.439 176.870 0.173 0.000 1.086 580 L CA 1.543 56.415 54.840 0.053 0.000 0.760 580 L CB -0.172 41.854 42.059 -0.056 0.000 0.910 580 L HN 0.198 nan 8.230 nan 0.000 0.437 581 K N -0.453 120.021 120.400 0.124 0.000 2.148 581 K HA -0.056 4.274 4.320 0.017 0.000 0.204 581 K C 1.972 178.698 176.600 0.210 0.000 1.050 581 K CA 1.528 57.896 56.287 0.135 0.000 0.942 581 K CB -0.154 32.374 32.500 0.047 0.000 0.724 581 K HN 0.297 nan 8.250 nan 0.000 0.446 582 M N -1.133 118.601 119.600 0.223 0.000 2.200 582 M HA -0.064 4.426 4.480 0.017 0.000 0.265 582 M C 1.759 178.200 176.300 0.236 0.000 1.066 582 M CA 1.223 56.681 55.300 0.263 0.000 1.127 582 M CB -0.222 32.526 32.600 0.248 0.000 1.379 582 M HN 0.083 nan 8.290 nan 0.000 0.420 583 F N 1.445 121.464 119.950 0.116 0.000 2.146 583 F HA -0.106 4.433 4.527 0.019 0.000 0.298 583 F C 1.849 177.704 175.800 0.093 0.000 1.096 583 F CA 1.372 59.448 58.000 0.126 0.000 1.275 583 F CB -0.212 38.881 39.000 0.155 0.000 1.008 583 F HN -0.043 nan 8.300 nan 0.000 0.480 584 L N -0.156 121.107 121.223 0.066 0.000 2.156 584 L HA -0.144 4.206 4.340 0.017 0.000 0.208 584 L C 2.323 179.088 176.870 -0.175 0.000 1.095 584 L CA 1.203 56.030 54.840 -0.022 0.000 0.770 584 L CB -0.707 41.464 42.059 0.187 0.000 0.914 584 L HN 0.071 nan 8.230 nan 0.000 0.439 585 K N 0.264 120.603 120.400 -0.102 0.000 2.155 585 K HA -0.056 4.274 4.320 0.017 0.000 0.203 585 K C 1.830 178.269 176.600 -0.268 0.000 1.052 585 K CA 0.864 57.031 56.287 -0.200 0.000 0.948 585 K CB -0.231 32.179 32.500 -0.149 0.000 0.728 585 K HN 0.002 nan 8.250 nan 0.000 0.448 586 V N 0.801 120.593 119.914 -0.204 0.000 2.548 586 V HA -0.154 3.977 4.120 0.017 0.000 0.249 586 V C 2.092 178.019 176.094 -0.279 0.000 1.055 586 V CA 1.316 63.497 62.300 -0.199 0.000 1.065 586 V CB -0.307 31.453 31.823 -0.104 0.000 0.681 586 V HN 0.234 nan 8.190 nan 0.000 0.462 587 L N -0.711 120.291 121.223 -0.368 0.000 2.095 587 L HA -0.078 4.272 4.340 0.017 0.000 0.204 587 L C 2.521 179.128 176.870 -0.438 0.000 1.080 587 L CA 1.316 55.934 54.840 -0.369 0.000 0.759 587 L CB -0.542 41.301 42.059 -0.361 0.000 0.914 587 L HN 0.323 nan 8.230 nan 0.000 0.439 588 E N 0.314 120.124 120.200 -0.650 0.000 2.153 588 E HA -0.200 4.161 4.350 0.017 0.000 0.194 588 E C 1.619 177.928 176.600 -0.485 0.000 0.988 588 E CA 1.077 56.985 56.400 -0.819 0.000 0.811 588 E CB 0.094 29.270 29.700 -0.874 0.000 0.746 588 E HN 0.468 nan 8.360 nan 0.000 0.466 589 N N -0.498 117.973 118.700 -0.382 0.000 2.409 589 N HA -0.022 4.728 4.740 0.017 0.000 0.174 589 N C 1.577 176.910 175.510 -0.296 0.000 1.037 589 N CA 0.804 53.673 53.050 -0.301 0.000 0.898 589 N CB -0.405 37.925 38.487 -0.263 0.000 1.010 589 N HN 0.134 nan 8.380 nan 0.000 0.445 590 G N 1.124 109.749 108.800 -0.292 0.000 2.628 590 G HA2 -0.297 3.674 3.960 0.017 0.000 0.217 590 G HA3 -0.297 3.674 3.960 0.017 0.000 0.217 590 G C 1.101 175.804 174.900 -0.330 0.000 1.240 590 G CA 2.039 46.984 45.100 -0.258 0.000 0.792 590 G HN 0.589 nan 8.290 nan 0.000 0.593 591 N N -2.925 115.512 118.700 -0.437 0.000 2.559 591 N HA 0.215 4.966 4.740 0.017 0.000 0.311 591 N C 0.893 175.728 175.510 -1.124 0.000 1.372 591 N CA 0.276 52.774 53.050 -0.920 0.000 1.638 591 N CB -0.206 37.891 38.487 -0.650 0.000 0.745 591 N HN 0.220 nan 8.380 nan 0.000 1.379 592 F N -1.277 118.675 119.950 0.004 0.000 2.671 592 F HA 0.513 5.049 4.527 0.016 0.000 0.303 592 F C 1.449 177.272 175.800 0.038 0.000 0.935 592 F CA -0.402 57.613 58.000 0.026 0.000 1.136 592 F CB 0.020 39.027 39.000 0.010 0.000 0.929 592 F HN 0.051 nan 8.300 nan 0.000 0.659 593 N N 0.961 119.760 118.700 0.165 0.000 2.333 593 N HA 0.080 4.830 4.740 0.017 0.000 0.178 593 N C 1.839 177.378 175.510 0.049 0.000 1.018 593 N CA 0.937 54.050 53.050 0.106 0.000 0.882 593 N CB -0.035 38.507 38.487 0.091 0.000 0.984 593 N HN 0.237 nan 8.380 nan 0.000 0.434 594 L N 0.288 121.500 121.223 -0.017 0.000 2.127 594 L HA 0.074 4.425 4.340 0.017 0.000 0.203 594 L C 2.276 179.122 176.870 -0.040 0.000 1.080 594 L CA 0.610 55.411 54.840 -0.064 0.000 0.768 594 L CB -0.263 41.715 42.059 -0.135 0.000 0.924 594 L HN 0.043 nan 8.230 nan 0.000 0.444 595 R N 0.286 120.769 120.500 -0.030 0.000 2.105 595 R HA -0.125 4.225 4.340 0.017 0.000 0.239 595 R C 2.344 178.817 176.300 0.290 0.000 1.135 595 R CA 1.379 57.506 56.100 0.045 0.000 0.967 595 R CB -0.541 29.825 30.300 0.110 0.000 0.861 595 R HN 0.409 nan 8.270 nan 0.000 0.442 596 G N 0.473 109.430 108.800 0.260 0.000 2.408 596 G HA2 -0.199 3.771 3.960 0.017 0.000 0.217 596 G HA3 -0.199 3.771 3.960 0.017 0.000 0.217 596 G C 1.392 176.414 174.900 0.203 0.000 1.150 596 G CA 0.458 45.729 45.100 0.285 0.000 0.776 596 G HN 0.185 nan 8.290 nan 0.000 0.542 597 I N -0.358 120.272 120.570 0.100 0.000 2.252 597 I HA -0.065 4.115 4.170 0.017 0.000 0.245 597 I C 2.395 178.496 176.117 -0.027 0.000 1.102 597 I CA 0.799 62.110 61.300 0.018 0.000 1.385 597 I CB -0.230 37.761 38.000 -0.015 0.000 1.064 597 I HN 0.199 nan 8.210 nan 0.000 0.414 598 F N 1.146 120.991 119.950 -0.175 0.000 2.171 598 F HA -0.254 4.279 4.527 0.010 0.000 0.300 598 F C 2.244 177.893 175.800 -0.251 0.000 1.090 598 F CA 1.577 59.402 58.000 -0.291 0.000 1.293 598 F CB -0.498 38.275 39.000 -0.378 0.000 1.013 598 F HN -0.029 nan 8.300 nan 0.000 0.486 599 Y N 0.387 120.614 120.300 -0.123 0.000 2.242 599 Y HA -0.204 4.352 4.550 0.009 0.000 0.291 599 Y C 2.421 178.183 175.900 -0.231 0.000 1.137 599 Y CA 1.516 59.508 58.100 -0.178 0.000 1.181 599 Y CB -0.666 37.782 38.460 -0.020 0.000 0.989 599 Y HN 0.067 nan 8.280 nan 0.000 0.527 600 N N -0.009 118.680 118.700 -0.018 0.000 2.188 600 N HA -0.113 4.638 4.740 0.017 0.000 0.184 600 N C 1.782 177.194 175.510 -0.164 0.000 1.018 600 N CA 1.035 54.050 53.050 -0.058 0.000 0.858 600 N CB -0.362 38.099 38.487 -0.044 0.000 0.989 600 N HN 0.335 nan 8.380 nan 0.000 0.426 601 L N 0.407 121.440 121.223 -0.317 0.000 2.109 601 L HA -0.020 4.331 4.340 0.017 0.000 0.207 601 L C 2.539 179.134 176.870 -0.459 0.000 1.086 601 L CA 0.643 55.185 54.840 -0.497 0.000 0.760 601 L CB -0.201 41.361 42.059 -0.827 0.000 0.910 601 L HN 0.053 nan 8.230 nan 0.000 0.437 602 R N 0.835 121.036 120.500 -0.500 0.000 2.096 602 R HA -0.147 4.204 4.340 0.017 0.000 0.235 602 R C 2.110 178.306 176.300 -0.174 0.000 1.127 602 R CA 1.468 57.320 56.100 -0.413 0.000 0.968 602 R CB -0.134 29.872 30.300 -0.490 0.000 0.861 602 R HN 0.365 nan 8.270 nan 0.000 0.440 603 K N -0.066 120.265 120.400 -0.115 0.000 2.103 603 K HA -0.101 4.230 4.320 0.017 0.000 0.204 603 K C 2.220 178.846 176.600 0.043 0.000 1.052 603 K CA 1.086 57.361 56.287 -0.019 0.000 0.945 603 K CB 0.018 32.512 32.500 -0.010 0.000 0.722 603 K HN 0.281 nan 8.250 nan 0.000 0.443 604 Q N 0.155 119.983 119.800 0.048 0.000 2.083 604 Q HA -0.143 4.208 4.340 0.017 0.000 0.198 604 Q C 2.119 178.321 176.000 0.337 0.000 0.969 604 Q CA 1.057 56.983 55.803 0.206 0.000 0.838 604 Q CB 0.004 28.924 28.738 0.303 0.000 0.900 604 Q HN 0.057 nan 8.270 nan 0.000 0.436 605 R N 1.241 121.872 120.500 0.218 0.000 2.081 605 R HA -0.077 4.274 4.340 0.017 0.000 0.235 605 R C 1.830 178.257 176.300 0.212 0.000 1.131 605 R CA 1.625 57.888 56.100 0.271 0.000 0.960 605 R CB -0.197 30.157 30.300 0.089 0.000 0.856 605 R HN 0.083 nan 8.270 nan 0.000 0.436 606 R N -1.105 119.470 120.500 0.125 0.000 2.092 606 R HA -0.078 4.272 4.340 0.017 0.000 0.231 606 R C 2.186 178.531 176.300 0.075 0.000 1.119 606 R CA 1.560 57.707 56.100 0.078 0.000 0.970 606 R CB -0.440 29.884 30.300 0.040 0.000 0.864 606 R HN 0.288 nan 8.270 nan 0.000 0.440 607 F N 1.160 121.094 119.950 -0.028 0.000 2.206 607 F HA -0.139 4.397 4.527 0.014 0.000 0.298 607 F C 1.921 177.713 175.800 -0.013 0.000 1.090 607 F CA 1.087 59.024 58.000 -0.105 0.000 1.323 607 F CB 0.087 38.988 39.000 -0.165 0.000 1.028 607 F HN -0.133 nan 8.300 nan 0.000 0.492 608 I N 0.613 121.269 120.570 0.144 0.000 2.315 608 I HA -0.237 3.943 4.170 0.017 0.000 0.248 608 I C 1.801 177.876 176.117 -0.070 0.000 1.117 608 I CA 1.316 62.663 61.300 0.079 0.000 1.404 608 I CB -1.394 36.798 38.000 0.321 0.000 1.071 608 I HN 0.139 nan 8.210 nan 0.000 0.419 609 D N 0.769 121.174 120.400 0.009 0.000 2.144 609 D HA -0.155 4.495 4.640 0.017 0.000 0.199 609 D C 2.150 178.417 176.300 -0.055 0.000 0.984 609 D CA 0.975 54.982 54.000 0.011 0.000 0.834 609 D CB -0.025 40.812 40.800 0.060 0.000 0.955 609 D HN 0.272 nan 8.370 nan 0.000 0.465 610 E N 0.218 120.346 120.200 -0.120 0.000 2.112 610 E HA -0.018 4.342 4.350 0.017 0.000 0.190 610 E C 2.242 178.730 176.600 -0.186 0.000 0.979 610 E CA -0.066 56.266 56.400 -0.113 0.000 0.814 610 E CB -0.242 29.334 29.700 -0.206 0.000 0.762 610 E HN 0.289 nan 8.360 nan 0.000 0.460 611 L N 0.685 121.718 121.223 -0.316 0.000 2.046 611 L HA -0.129 4.221 4.340 0.017 0.000 0.208 611 L C 2.262 178.898 176.870 -0.391 0.000 1.077 611 L CA 1.008 55.545 54.840 -0.505 0.000 0.747 611 L CB -0.168 41.453 42.059 -0.731 0.000 0.896 611 L HN -0.009 nan 8.230 nan 0.000 0.432 612 V N 0.138 119.900 119.914 -0.253 0.000 2.427 612 V HA -0.281 3.849 4.120 0.017 0.000 0.248 612 V C 2.524 178.546 176.094 -0.120 0.000 1.051 612 V CA 1.641 63.855 62.300 -0.145 0.000 1.048 612 V CB -0.347 31.370 31.823 -0.175 0.000 0.666 612 V HN 0.445 nan 8.190 nan 0.000 0.456 613 K N -0.418 119.932 120.400 -0.083 0.000 2.057 613 K HA -0.179 4.152 4.320 0.017 0.000 0.207 613 K C 2.091 178.695 176.600 0.006 0.000 1.049 613 K CA 1.602 57.900 56.287 0.018 0.000 0.931 613 K CB -0.388 32.205 32.500 0.154 0.000 0.714 613 K HN 0.364 nan 8.250 nan 0.000 0.440 614 L N 0.742 121.888 121.223 -0.128 0.000 2.056 614 L HA -0.108 4.243 4.340 0.017 0.000 0.207 614 L C 1.926 178.563 176.870 -0.388 0.000 1.078 614 L CA 1.533 56.235 54.840 -0.230 0.000 0.749 614 L CB -0.607 41.031 42.059 -0.702 0.000 0.901 614 L HN -0.143 nan 8.230 nan 0.000 0.433 615 V N 0.110 119.771 119.914 -0.420 0.000 2.407 615 V HA -0.260 3.871 4.120 0.017 0.000 0.248 615 V C 2.673 178.543 176.094 -0.375 0.000 1.055 615 V CA 2.037 64.035 62.300 -0.503 0.000 1.049 615 V CB -0.723 30.901 31.823 -0.332 0.000 0.662 615 V HN 0.502 nan 8.190 nan 0.000 0.455 616 K N -0.474 119.797 120.400 -0.215 0.000 2.217 616 K HA 0.002 4.333 4.320 0.017 0.000 0.202 616 K C 1.991 178.521 176.600 -0.117 0.000 1.051 616 K CA 0.908 57.116 56.287 -0.132 0.000 0.952 616 K CB -0.085 32.377 32.500 -0.063 0.000 0.736 616 K HN 0.365 nan 8.250 nan 0.000 0.453 617 L N 0.321 121.468 121.223 -0.126 0.000 2.179 617 L HA -0.097 4.253 4.340 0.017 0.000 0.208 617 L C 2.228 179.023 176.870 -0.125 0.000 1.096 617 L CA 0.833 55.619 54.840 -0.089 0.000 0.779 617 L CB -0.364 41.667 42.059 -0.046 0.000 0.922 617 L HN -0.007 nan 8.230 nan 0.000 0.443 618 V N 0.306 120.086 119.914 -0.223 0.000 2.515 618 V HA -0.201 3.929 4.120 0.017 0.000 0.250 618 V C 2.682 178.704 176.094 -0.121 0.000 1.058 618 V CA 1.650 63.816 62.300 -0.224 0.000 1.064 618 V CB -0.325 31.239 31.823 -0.432 0.000 0.675 618 V HN 0.441 nan 8.190 nan 0.000 0.461 619 A N -0.830 121.917 122.820 -0.123 0.000 1.970 619 A HA -0.128 4.202 4.320 0.017 0.000 0.216 619 A C 2.281 179.847 177.584 -0.031 0.000 1.170 619 A CA 1.323 53.328 52.037 -0.054 0.000 0.645 619 A CB -0.272 18.696 19.000 -0.054 0.000 0.816 619 A HN 0.487 nan 8.150 nan 0.000 0.447 620 K N 0.122 120.497 120.400 -0.042 0.000 2.001 620 K HA -0.105 4.226 4.320 0.017 0.000 0.208 620 K C 0.820 177.408 176.600 -0.020 0.000 1.048 620 K CA 0.851 57.123 56.287 -0.026 0.000 0.932 620 K CB -0.185 32.298 32.500 -0.029 0.000 0.715 620 K HN 0.542 nan 8.250 nan 0.000 0.437 621 E N 2.617 122.801 120.200 -0.027 0.000 2.694 621 E HA -0.059 4.301 4.350 0.017 0.000 0.250 621 E C -2.466 174.131 176.600 -0.005 0.000 0.963 621 E CA -1.138 55.252 56.400 -0.017 0.000 0.949 621 E CB 0.499 30.186 29.700 -0.022 0.000 0.911 621 E HN -0.032 nan 8.360 nan 0.000 0.500 622 P HA 0.516 nan 4.420 nan 0.000 0.286 622 P C -0.485 176.823 177.300 0.012 0.000 1.261 622 P CA -0.408 62.696 63.100 0.007 0.000 0.821 622 P CB 1.851 33.555 31.700 0.006 0.000 1.013 623 G N 1.230 110.040 108.800 0.018 0.000 2.328 623 G HA2 0.281 4.252 3.960 0.017 0.000 0.299 623 G HA3 0.281 4.252 3.960 0.017 0.000 0.299 623 G C -1.240 173.676 174.900 0.026 0.000 1.435 623 G CA -0.843 44.269 45.100 0.021 0.000 0.865 623 G HN 0.779 nan 8.290 nan 0.000 0.601 624 N N -0.508 118.207 118.700 0.025 0.000 2.317 624 N HA 0.178 4.929 4.740 0.017 0.000 0.245 624 N C 1.623 177.155 175.510 0.037 0.000 1.294 624 N CA 0.224 53.291 53.050 0.028 0.000 0.924 624 N CB 0.594 39.094 38.487 0.022 0.000 1.186 624 N HN 0.950 nan 8.380 nan 0.000 0.495 625 R N 0.512 121.036 120.500 0.041 0.000 2.113 625 R HA -0.200 4.150 4.340 0.017 0.000 0.244 625 R C 1.138 177.468 176.300 0.051 0.000 1.142 625 R CA 1.837 57.969 56.100 0.053 0.000 0.953 625 R CB -0.542 29.790 30.300 0.053 0.000 0.860 625 R HN 0.571 nan 8.270 nan 0.000 0.438 626 N N 0.529 119.252 118.700 0.037 0.000 2.166 626 N HA -0.142 4.608 4.740 0.017 0.000 0.186 626 N C 1.397 176.928 175.510 0.035 0.000 1.019 626 N CA 1.443 54.511 53.050 0.031 0.000 0.856 626 N CB -0.112 38.389 38.487 0.023 0.000 0.993 626 N HN 0.404 nan 8.380 nan 0.000 0.426 627 K N 0.781 121.202 120.400 0.035 0.000 2.155 627 K HA 0.038 4.369 4.320 0.017 0.000 0.203 627 K C 1.693 178.320 176.600 0.045 0.000 1.052 627 K CA 0.791 57.098 56.287 0.033 0.000 0.948 627 K CB 0.214 32.730 32.500 0.026 0.000 0.728 627 K HN 0.073 nan 8.250 nan 0.000 0.448 628 K N -0.547 119.887 120.400 0.057 0.000 2.167 628 K HA -0.086 4.245 4.320 0.017 0.000 0.203 628 K C 2.104 178.778 176.600 0.123 0.000 1.052 628 K CA 1.472 57.804 56.287 0.076 0.000 0.956 628 K CB 0.011 32.562 32.500 0.084 0.000 0.735 628 K HN 0.142 nan 8.250 nan 0.000 0.451 629 T N 0.368 114.988 114.554 0.109 0.000 2.904 629 T HA -0.075 4.285 4.350 0.017 0.000 0.267 629 T C 1.540 176.301 174.700 0.102 0.000 1.059 629 T CA 1.081 63.250 62.100 0.115 0.000 1.137 629 T CB 0.050 68.935 68.868 0.028 0.000 0.879 629 T HN 0.193 nan 8.240 nan 0.000 0.467 630 E N 0.378 120.620 120.200 0.070 0.000 2.106 630 E HA -0.109 4.251 4.350 0.017 0.000 0.192 630 E C 2.197 178.844 176.600 0.078 0.000 0.984 630 E CA 1.149 57.582 56.400 0.055 0.000 0.806 630 E CB -0.071 29.651 29.700 0.037 0.000 0.750 630 E HN 0.443 nan 8.360 nan 0.000 0.458 631 K N 0.877 121.328 120.400 0.086 0.000 2.097 631 K HA -0.155 4.176 4.320 0.017 0.000 0.205 631 K C 1.751 178.416 176.600 0.108 0.000 1.050 631 K CA 1.005 57.334 56.287 0.070 0.000 0.938 631 K CB -0.450 32.073 32.500 0.038 0.000 0.718 631 K HN 0.002 nan 8.250 nan 0.000 0.442 632 F N 1.970 121.906 119.950 -0.024 0.000 2.146 632 F HA -0.049 4.488 4.527 0.017 0.000 0.298 632 F C 1.958 177.723 175.800 -0.058 0.000 1.096 632 F CA 1.607 59.575 58.000 -0.053 0.000 1.275 632 F CB -0.460 38.502 39.000 -0.064 0.000 1.008 632 F HN 0.181 nan 8.300 nan 0.000 0.480 633 Q N -0.495 119.439 119.800 0.223 0.000 2.124 633 Q HA -0.233 4.117 4.340 0.017 0.000 0.202 633 Q C 2.124 178.188 176.000 0.107 0.000 0.977 633 Q CA 1.671 57.530 55.803 0.095 0.000 0.850 633 Q CB -0.206 28.550 28.738 0.030 0.000 0.901 633 Q HN 0.100 nan 8.270 nan 0.000 0.429 634 K N 1.132 121.595 120.400 0.106 0.000 2.103 634 K HA -0.063 4.268 4.320 0.017 0.000 0.204 634 K C 1.680 178.351 176.600 0.117 0.000 1.052 634 K CA 1.087 57.428 56.287 0.089 0.000 0.945 634 K CB -0.235 32.305 32.500 0.066 0.000 0.722 634 K HN 0.156 nan 8.250 nan 0.000 0.443 635 L N 0.161 121.464 121.223 0.133 0.000 2.093 635 L HA -0.093 4.258 4.340 0.017 0.000 0.208 635 L C 2.226 179.251 176.870 0.258 0.000 1.085 635 L CA 0.882 55.836 54.840 0.190 0.000 0.755 635 L CB -0.358 41.786 42.059 0.142 0.000 0.904 635 L HN 0.155 nan 8.230 nan 0.000 0.435 636 L N -0.393 120.932 121.223 0.170 0.000 2.141 636 L HA -0.145 4.205 4.340 0.017 0.000 0.209 636 L C 2.711 179.724 176.870 0.239 0.000 1.094 636 L CA 1.043 55.976 54.840 0.155 0.000 0.763 636 L CB -0.523 41.570 42.059 0.057 0.000 0.908 636 L HN 0.224 nan 8.230 nan 0.000 0.437 637 A N -0.830 122.095 122.820 0.175 0.000 2.021 637 A HA -0.079 4.251 4.320 0.017 0.000 0.216 637 A C 1.070 178.747 177.584 0.156 0.000 1.163 637 A CA 0.047 52.171 52.037 0.145 0.000 0.676 637 A CB -0.215 18.843 19.000 0.097 0.000 0.818 637 A HN 0.263 nan 8.150 nan 0.000 0.453 638 E N 1.807 122.114 120.200 0.179 0.000 2.406 638 E HA 0.052 4.413 4.350 0.017 0.000 0.258 638 E C -0.307 176.415 176.600 0.203 0.000 1.043 638 E CA 0.181 56.678 56.400 0.163 0.000 0.929 638 E CB 0.244 30.033 29.700 0.149 0.000 0.969 638 E HN 0.367 nan 8.360 nan 0.000 0.462 639 Q N 3.732 123.611 119.800 0.131 0.000 2.256 639 Q HA 0.100 4.450 4.340 0.017 0.000 0.254 639 Q C -0.534 175.520 176.000 0.090 0.000 0.916 639 Q CA -0.304 55.572 55.803 0.122 0.000 0.932 639 Q CB 1.216 30.003 28.738 0.081 0.000 1.207 639 Q HN 0.584 nan 8.270 nan 0.000 0.426 640 D N 1.749 122.210 120.400 0.102 0.000 2.751 640 D HA -0.224 4.426 4.640 0.017 0.000 0.233 640 D C 0.670 176.955 176.300 -0.026 0.000 1.149 640 D CA 0.809 54.836 54.000 0.046 0.000 0.682 640 D CB -0.609 40.205 40.800 0.024 0.000 1.068 640 D HN 0.621 nan 8.370 nan 0.000 0.429 641 M N -1.338 118.216 119.600 -0.077 0.000 2.419 641 M HA -0.026 4.464 4.480 0.017 0.000 0.264 641 M C 0.442 176.419 176.300 -0.538 0.000 1.082 641 M CA 1.149 56.228 55.300 -0.368 0.000 1.119 641 M CB 0.178 32.402 32.600 -0.627 0.000 1.398 641 M HN -0.020 nan 8.290 nan 0.000 0.453 642 F N -1.246 118.697 119.950 -0.012 0.000 2.561 642 F HA 0.304 4.840 4.527 0.014 0.000 0.321 642 F C 1.108 176.850 175.800 -0.097 0.000 1.065 642 F CA -1.030 56.941 58.000 -0.050 0.000 0.934 642 F CB 0.965 39.930 39.000 -0.058 0.000 1.215 642 F HN -0.347 nan 8.300 nan 0.000 0.471 643 K N 0.430 120.897 120.400 0.111 0.000 2.144 643 K HA -0.135 4.195 4.320 0.017 0.000 0.209 643 K C 0.244 176.819 176.600 -0.042 0.000 1.047 643 K CA 1.116 57.415 56.287 0.020 0.000 0.927 643 K CB -0.093 32.416 32.500 0.014 0.000 0.716 643 K HN 0.354 nan 8.250 nan 0.000 0.454 644 V N 0.703 120.524 119.914 -0.155 0.000 2.483 644 V HA 0.236 4.366 4.120 0.017 0.000 0.295 644 V C -1.045 174.822 176.094 -0.378 0.000 1.035 644 V CA -1.058 61.066 62.300 -0.294 0.000 0.896 644 V CB 1.515 33.031 31.823 -0.513 0.000 0.986 644 V HN 0.368 nan 8.190 nan 0.000 0.447 645 N N 4.410 123.013 118.700 -0.162 0.000 2.422 645 N HA 0.286 5.036 4.740 0.017 0.000 0.264 645 N C 0.204 175.731 175.510 0.029 0.000 1.063 645 N CA -0.426 52.601 53.050 -0.039 0.000 0.959 645 N CB 0.788 39.321 38.487 0.076 0.000 1.087 645 N HN 0.653 nan 8.380 nan 0.000 0.483 646 F N 1.126 121.214 119.950 0.229 0.000 2.367 646 F HA -0.076 4.464 4.527 0.023 0.000 0.298 646 F C 2.748 178.780 175.800 0.387 0.000 1.094 646 F CA 0.822 59.014 58.000 0.319 0.000 1.409 646 F CB -0.031 39.035 39.000 0.110 0.000 1.064 646 F HN 0.650 nan 8.300 nan 0.000 0.528 647 T N -2.088 112.685 114.554 0.364 0.000 2.812 647 T HA -0.096 4.264 4.350 0.017 0.000 0.264 647 T C 0.948 175.704 174.700 0.093 0.000 1.042 647 T CA 0.849 63.070 62.100 0.202 0.000 1.140 647 T CB -0.212 68.736 68.868 0.133 0.000 0.870 647 T HN -0.013 nan 8.240 nan 0.000 0.445 648 N N 0.453 119.213 118.700 0.100 0.000 2.272 648 N HA 0.576 5.327 4.740 0.017 0.000 0.305 648 N C -1.411 174.146 175.510 0.078 0.000 1.103 648 N CA -0.801 52.216 53.050 -0.055 0.000 0.791 648 N CB 2.057 40.524 38.487 -0.033 0.000 1.356 648 N HN 0.454 nan 8.380 nan 0.000 0.486 649 F N -0.958 118.992 119.950 -0.001 0.000 2.726 649 F HA 0.536 5.073 4.527 0.016 0.000 0.324 649 F C 0.338 176.112 175.800 -0.043 0.000 1.140 649 F CA -1.155 56.834 58.000 -0.018 0.000 0.964 649 F CB 0.476 39.476 39.000 -0.000 0.000 1.399 649 F HN 0.029 nan 8.300 nan 0.000 0.491 650 E N 1.626 121.926 120.200 0.168 0.000 2.452 650 E HA 0.149 4.509 4.350 0.017 0.000 0.261 650 E C -2.448 174.210 176.600 0.096 0.000 0.987 650 E CA -1.396 55.049 56.400 0.074 0.000 0.926 650 E CB 0.045 29.781 29.700 0.061 0.000 0.934 650 E HN 0.240 nan 8.360 nan 0.000 0.452 651 P HA 0.081 nan 4.420 nan 0.000 0.265 651 P C -0.386 176.981 177.300 0.111 0.000 1.193 651 P CA 0.543 63.654 63.100 0.017 0.000 0.765 651 P CB 0.370 32.032 31.700 -0.064 0.000 0.823 652 I N 5.194 125.803 120.570 0.065 0.000 2.499 652 I HA 0.290 4.470 4.170 0.017 0.000 0.288 652 I C -2.263 173.761 176.117 -0.156 0.000 1.048 652 I CA -3.047 58.229 61.300 -0.040 0.000 1.062 652 I CB 2.568 40.457 38.000 -0.185 0.000 1.238 652 I HN 0.136 nan 8.210 nan 0.000 0.426 653 P HA -0.088 nan 4.420 nan 0.000 0.261 653 P C -0.354 176.793 177.300 -0.255 0.000 1.183 653 P CA 0.072 62.907 63.100 -0.443 0.000 0.761 653 P CB 0.236 31.668 31.700 -0.446 0.000 0.785 654 F N 7.468 127.128 119.950 -0.484 0.000 2.623 654 F HA 0.027 4.564 4.527 0.017 0.000 0.383 654 F C -1.312 174.241 175.800 -0.412 0.000 1.077 654 F CA -1.784 55.883 58.000 -0.554 0.000 1.268 654 F CB -0.263 38.334 39.000 -0.671 0.000 1.053 654 F HN 0.324 nan 8.300 nan 0.000 0.571 655 P HA -0.155 nan 4.420 nan 0.000 0.218 655 P C 2.223 179.305 177.300 -0.364 0.000 1.149 655 P CA 1.067 64.091 63.100 -0.127 0.000 0.817 655 P CB 0.271 31.870 31.700 -0.168 0.000 0.785 656 L N -0.663 120.104 121.223 -0.760 0.000 1.988 656 L HA -0.047 4.303 4.340 0.017 0.000 0.207 656 L C 0.622 177.252 176.870 -0.400 0.000 1.071 656 L CA 1.657 56.090 54.840 -0.678 0.000 0.744 656 L CB -0.328 41.003 42.059 -1.215 0.000 0.893 656 L HN 0.036 nan 8.230 nan 0.000 0.433 657 D N -1.353 118.710 120.400 -0.562 0.000 2.425 657 D HA 0.188 4.839 4.640 0.017 0.000 0.240 657 D C -2.126 174.033 176.300 -0.235 0.000 1.080 657 D CA -2.215 51.633 54.000 -0.253 0.000 0.836 657 D CB 2.034 42.739 40.800 -0.159 0.000 1.125 657 D HN -0.053 nan 8.370 nan 0.000 0.525 658 P HA -0.030 nan 4.420 nan 0.000 0.223 658 P C 1.009 178.152 177.300 -0.262 0.000 1.151 658 P CA 0.602 63.541 63.100 -0.267 0.000 0.787 658 P CB 0.522 32.043 31.700 -0.297 0.000 0.788 659 E N -0.450 119.645 120.200 -0.174 0.000 2.150 659 E HA -0.040 4.321 4.350 0.017 0.000 0.193 659 E C 0.766 177.271 176.600 -0.159 0.000 0.985 659 E CA 0.741 57.063 56.400 -0.129 0.000 0.814 659 E CB -0.128 29.551 29.700 -0.035 0.000 0.752 659 E HN 0.351 nan 8.360 nan 0.000 0.466 660 I N 1.162 121.627 120.570 -0.174 0.000 2.336 660 I HA 0.124 4.305 4.170 0.017 0.000 0.292 660 I C -0.176 175.801 176.117 -0.232 0.000 0.991 660 I CA -0.629 60.604 61.300 -0.112 0.000 1.227 660 I CB 0.745 38.688 38.000 -0.095 0.000 1.366 660 I HN -0.156 nan 8.210 nan 0.000 0.466 661 Y N 5.953 126.167 120.300 -0.142 0.000 2.298 661 Y HA 0.504 5.063 4.550 0.016 0.000 0.329 661 Y C 0.630 176.360 175.900 -0.283 0.000 1.293 661 Y CA -0.650 57.336 58.100 -0.189 0.000 1.388 661 Y CB 0.830 39.200 38.460 -0.150 0.000 1.309 661 Y HN 0.373 nan 8.280 nan 0.000 0.544 662 I N -2.482 117.956 120.570 -0.219 0.000 2.797 662 I HA 0.576 4.756 4.170 0.017 0.000 0.307 662 I C -0.310 175.647 176.117 -0.267 0.000 1.033 662 I CA -0.684 60.436 61.300 -0.300 0.000 1.071 662 I CB 2.246 39.870 38.000 -0.625 0.000 1.255 662 I HN 0.590 nan 8.210 nan 0.000 0.445 663 T N 2.679 117.011 114.554 -0.370 0.000 3.397 663 T HA 0.217 4.578 4.350 0.017 0.000 0.197 663 T C 0.651 174.538 174.700 -1.355 0.000 0.837 663 T CA 0.165 61.877 62.100 -0.646 0.000 2.001 663 T CB -0.150 68.444 68.868 -0.457 0.000 1.845 663 T HN 0.577 nan 8.240 nan 0.000 0.444 664 K N 0.268 120.217 120.400 -0.752 0.000 2.209 664 K HA 0.656 4.986 4.320 0.017 0.000 0.238 664 K C -0.582 176.016 176.600 -0.004 0.000 1.028 664 K CA -0.535 55.422 56.287 -0.551 0.000 0.935 664 K CB 0.703 33.052 32.500 -0.253 0.000 1.162 664 K HN 0.227 nan 8.250 nan 0.000 0.485 665 I N 1.007 121.710 120.570 0.221 0.000 2.530 665 I HA 0.178 4.359 4.170 0.017 0.000 0.297 665 I C -0.694 175.434 176.117 0.019 0.000 1.011 665 I CA -1.299 60.055 61.300 0.091 0.000 1.107 665 I CB 2.163 40.225 38.000 0.104 0.000 1.285 665 I HN 0.185 nan 8.210 nan 0.000 0.436 666 V N 7.891 127.770 119.914 -0.059 0.000 2.372 666 V HA 0.110 4.241 4.120 0.017 0.000 0.261 666 V C -1.268 174.782 176.094 -0.073 0.000 1.055 666 V CA -1.016 61.256 62.300 -0.046 0.000 0.930 666 V CB 0.542 32.336 31.823 -0.048 0.000 1.031 666 V HN 0.661 nan 8.190 nan 0.000 0.479 667 P HA -0.171 nan 4.420 nan 0.000 0.216 667 P C 1.549 178.802 177.300 -0.078 0.000 1.153 667 P CA 1.393 64.466 63.100 -0.045 0.000 0.858 667 P CB 0.186 31.895 31.700 0.014 0.000 0.789 668 M N -1.151 118.416 119.600 -0.055 0.000 2.254 668 M HA -0.007 4.484 4.480 0.017 0.000 0.265 668 M C 2.075 178.322 176.300 -0.088 0.000 1.066 668 M CA 1.206 56.471 55.300 -0.058 0.000 1.123 668 M CB -1.348 31.234 32.600 -0.029 0.000 1.388 668 M HN -0.121 nan 8.290 nan 0.000 0.425 669 R N 0.057 120.496 120.500 -0.101 0.000 2.307 669 R HA 0.017 4.367 4.340 0.017 0.000 0.199 669 R C 0.487 176.671 176.300 -0.194 0.000 1.000 669 R CA 0.395 56.422 56.100 -0.120 0.000 1.023 669 R CB -0.515 29.729 30.300 -0.094 0.000 0.908 669 R HN 0.454 nan 8.270 nan 0.000 0.473 670 T N 0.161 114.569 114.554 -0.243 0.000 2.834 670 T HA 0.166 4.527 4.350 0.017 0.000 0.298 670 T C 0.368 174.866 174.700 -0.338 0.000 0.966 670 T CA -0.480 61.403 62.100 -0.360 0.000 1.141 670 T CB 1.148 69.708 68.868 -0.514 0.000 0.905 670 T HN 0.143 nan 8.240 nan 0.000 0.535 671 S N 4.062 119.537 115.700 -0.375 0.000 2.739 671 S HA 0.824 5.304 4.470 0.017 0.000 0.306 671 S C -0.649 173.718 174.600 -0.389 0.000 1.115 671 S CA -1.081 56.926 58.200 -0.321 0.000 0.985 671 S CB 0.939 63.976 63.200 -0.271 0.000 1.133 671 S HN 0.718 nan 8.310 nan 0.000 0.541 672 L N 0.612 121.682 121.223 -0.255 0.000 2.341 672 L HA 0.608 4.958 4.340 0.017 0.000 0.267 672 L C -0.773 176.030 176.870 -0.111 0.000 1.009 672 L CA -0.803 53.911 54.840 -0.210 0.000 0.819 672 L CB 1.036 43.085 42.059 -0.017 0.000 1.323 672 L HN 0.566 nan 8.230 nan 0.000 0.425 673 F N 0.777 120.705 119.950 -0.037 0.000 2.410 673 F HA 0.226 4.764 4.527 0.018 0.000 0.334 673 F C 1.326 177.112 175.800 -0.024 0.000 1.134 673 F CA -0.818 57.163 58.000 -0.032 0.000 1.227 673 F CB 0.905 39.883 39.000 -0.037 0.000 1.194 673 F HN 0.397 nan 8.300 nan 0.000 0.571 674 K N 0.424 120.980 120.400 0.260 0.000 2.057 674 K HA -0.086 4.244 4.320 0.017 0.000 0.207 674 K C 1.003 177.631 176.600 0.048 0.000 1.049 674 K CA 0.849 57.192 56.287 0.094 0.000 0.931 674 K CB -0.584 31.933 32.500 0.028 0.000 0.714 674 K HN 0.458 nan 8.250 nan 0.000 0.440 675 S N -0.003 115.710 115.700 0.022 0.000 2.542 675 S HA 0.053 4.533 4.470 0.017 0.000 0.287 675 S C 1.371 175.986 174.600 0.025 0.000 1.315 675 S CA -0.003 58.199 58.200 0.003 0.000 1.037 675 S CB 0.654 63.842 63.200 -0.020 0.000 0.822 675 S HN 0.330 nan 8.310 nan 0.000 0.513 676 A N 4.875 127.702 122.820 0.012 0.000 1.828 676 A HA 0.118 4.449 4.320 0.017 0.000 0.215 676 A C 1.361 178.954 177.584 0.015 0.000 1.203 676 A CA 0.757 52.803 52.037 0.016 0.000 0.614 676 A CB -0.910 18.098 19.000 0.012 0.000 0.844 676 A HN 0.883 nan 8.150 nan 0.000 0.445 677 L N 0.917 122.141 121.223 0.002 0.000 2.628 677 L HA 0.085 4.435 4.340 0.017 0.000 0.274 677 L C -0.492 176.340 176.870 -0.064 0.000 1.209 677 L CA 0.355 55.184 54.840 -0.019 0.000 0.930 677 L CB 0.275 42.315 42.059 -0.033 0.000 1.183 677 L HN 0.545 nan 8.230 nan 0.000 0.492 678 M N 8.404 127.949 119.600 -0.092 0.000 2.080 678 M HA 0.382 4.872 4.480 0.017 0.000 0.350 678 M C -2.343 173.617 176.300 -0.566 0.000 1.173 678 M CA -1.413 53.816 55.300 -0.118 0.000 1.052 678 M CB 1.525 34.162 32.600 0.061 0.000 1.577 678 M HN 0.357 nan 8.290 nan 0.000 0.455 679 P HA 0.516 nan 4.420 nan 0.000 0.298 679 P C -1.524 175.674 177.300 -0.171 0.000 1.334 679 P CA -0.743 62.107 63.100 -0.416 0.000 0.942 679 P CB 1.511 33.128 31.700 -0.138 0.000 1.162 680 A N 2.112 124.930 122.820 -0.003 0.000 2.304 680 A HA 0.370 4.700 4.320 0.017 0.000 0.271 680 A C 0.226 177.571 177.584 -0.400 0.000 1.091 680 A CA -0.399 51.499 52.037 -0.232 0.000 0.812 680 A CB 0.082 18.919 19.000 -0.272 0.000 1.056 680 A HN 0.467 nan 8.150 nan 0.000 0.489 681 K N 0.471 120.485 120.400 -0.645 0.000 2.237 681 K HA 0.411 4.742 4.320 0.017 0.000 0.270 681 K C -1.119 175.265 176.600 -0.361 0.000 1.015 681 K CA -0.417 55.560 56.287 -0.517 0.000 0.949 681 K CB 0.313 32.408 32.500 -0.675 0.000 0.976 681 K HN 0.447 nan 8.250 nan 0.000 0.472 682 L N 1.564 122.656 121.223 -0.220 0.000 2.319 682 L HA 0.423 4.774 4.340 0.017 0.000 0.267 682 L C 0.351 177.024 176.870 -0.329 0.000 1.011 682 L CA -0.409 54.222 54.840 -0.348 0.000 0.818 682 L CB 1.720 43.528 42.059 -0.419 0.000 1.316 682 L HN 0.647 nan 8.230 nan 0.000 0.432 683 T N 0.937 115.267 114.554 -0.373 0.000 2.945 683 T HA 0.688 5.048 4.350 0.017 0.000 0.286 683 T C -0.764 173.658 174.700 -0.464 0.000 1.025 683 T CA -0.058 61.900 62.100 -0.238 0.000 1.039 683 T CB 0.720 69.518 68.868 -0.117 0.000 1.068 683 T HN 0.138 nan 8.240 nan 0.000 0.497 684 F N 0.771 120.769 119.950 0.081 0.000 2.575 684 F HA 0.618 5.155 4.527 0.016 0.000 0.330 684 F C 0.483 176.282 175.800 -0.002 0.000 1.056 684 F CA -1.023 56.984 58.000 0.013 0.000 0.964 684 F CB 1.072 40.024 39.000 -0.079 0.000 1.258 684 F HN 0.312 nan 8.300 nan 0.000 0.484 685 V N -1.304 118.671 119.914 0.101 0.000 3.336 685 V HA 0.794 4.925 4.120 0.017 0.000 0.304 685 V C -0.069 176.018 176.094 -0.010 0.000 1.073 685 V CA -0.577 61.725 62.300 0.003 0.000 1.074 685 V CB 0.965 32.676 31.823 -0.186 0.000 1.161 685 V HN 0.874 nan 8.190 nan 0.000 0.460 686 T N -2.224 112.304 114.554 -0.044 0.000 2.930 686 T HA 0.434 4.795 4.350 0.017 0.000 0.290 686 T C 1.099 175.716 174.700 -0.140 0.000 1.052 686 T CA 0.061 62.120 62.100 -0.069 0.000 1.017 686 T CB 1.365 70.251 68.868 0.030 0.000 1.137 686 T HN 1.271 nan 8.240 nan 0.000 0.511 687 S N 0.440 116.074 115.700 -0.110 0.000 2.402 687 S HA -0.060 4.421 4.470 0.017 0.000 0.233 687 S C 0.875 175.391 174.600 -0.141 0.000 1.030 687 S CA 0.405 58.518 58.200 -0.145 0.000 1.003 687 S CB -0.481 62.624 63.200 -0.160 0.000 0.813 687 S HN 0.668 nan 8.310 nan 0.000 0.477 688 I N 1.837 122.326 120.570 -0.134 0.000 2.330 688 I HA 0.569 4.750 4.170 0.017 0.000 0.289 688 I C 1.002 176.895 176.117 -0.373 0.000 1.001 688 I CA -0.189 61.005 61.300 -0.176 0.000 1.193 688 I CB 0.249 38.185 38.000 -0.107 0.000 1.345 688 I HN 0.477 nan 8.210 nan 0.000 0.461 689 A N 5.972 128.649 122.820 -0.239 0.000 3.153 689 A HA -0.248 4.083 4.320 0.017 0.000 0.265 689 A C 1.183 178.720 177.584 -0.078 0.000 1.212 689 A CA 1.645 53.540 52.037 -0.236 0.000 1.018 689 A CB -2.249 16.515 19.000 -0.393 0.000 1.130 689 A HN 1.030 nan 8.150 nan 0.000 0.873 690 H N -3.183 115.747 119.070 -0.233 0.000 3.642 690 H HA -0.188 4.379 4.556 0.018 0.000 0.185 690 H C 0.148 175.498 175.328 0.036 0.000 0.992 690 H CA 0.907 56.908 56.048 -0.078 0.000 1.216 690 H CB -1.674 28.075 29.762 -0.021 0.000 1.055 690 H HN 0.971 nan 8.280 nan 0.000 0.351 691 H N 2.254 121.403 119.070 0.132 0.000 3.115 691 H HA 0.061 4.628 4.556 0.018 0.000 0.324 691 H C 0.814 176.218 175.328 0.126 0.000 1.007 691 H CA 0.788 56.907 56.048 0.118 0.000 1.385 691 H CB 0.309 30.140 29.762 0.115 0.000 1.351 691 H HN 0.460 nan 8.280 nan 0.000 0.592 692 E N 0.920 121.274 120.200 0.258 0.000 2.371 692 E HA 0.222 4.583 4.350 0.017 0.000 0.257 692 E C -0.604 176.184 176.600 0.312 0.000 1.134 692 E CA -0.242 56.291 56.400 0.222 0.000 0.919 692 E CB 0.874 30.663 29.700 0.148 0.000 1.025 692 E HN 0.515 nan 8.360 nan 0.000 0.438 693 Y N -0.095 120.333 120.300 0.214 0.000 2.524 693 Y HA 0.596 5.157 4.550 0.019 0.000 0.344 693 Y C -1.068 175.010 175.900 0.296 0.000 1.012 693 Y CA -0.818 57.442 58.100 0.266 0.000 1.068 693 Y CB 1.500 40.139 38.460 0.298 0.000 1.249 693 Y HN 0.537 nan 8.280 nan 0.000 0.468 694 A N 2.737 125.649 122.820 0.153 0.000 2.356 694 A HA 0.967 5.298 4.320 0.017 0.000 0.323 694 A C -1.401 176.474 177.584 0.486 0.000 1.119 694 A CA -0.112 52.106 52.037 0.302 0.000 0.790 694 A CB 1.033 20.055 19.000 0.038 0.000 1.273 694 A HN 1.124 nan 8.150 nan 0.000 0.452 695 A N 0.534 123.754 122.820 0.665 0.000 2.486 695 A HA 0.825 5.156 4.320 0.017 0.000 0.289 695 A C -0.622 177.254 177.584 0.488 0.000 1.176 695 A CA -0.603 51.840 52.037 0.678 0.000 0.757 695 A CB 0.517 20.113 19.000 0.994 0.000 1.337 695 A HN 0.739 nan 8.150 nan 0.000 0.423 696 I N -0.199 120.658 120.570 0.478 0.000 2.834 696 I HA 0.470 4.650 4.170 0.017 0.000 0.305 696 I C -0.597 175.811 176.117 0.484 0.000 1.008 696 I CA -0.097 61.417 61.300 0.357 0.000 1.273 696 I CB 1.040 39.249 38.000 0.349 0.000 1.432 696 I HN 0.551 nan 8.210 nan 0.000 0.557 697 F N 3.856 123.874 119.950 0.114 0.000 2.561 697 F HA 0.492 5.030 4.527 0.018 0.000 0.313 697 F C -0.689 175.115 175.800 0.006 0.000 1.126 697 F CA -0.824 57.152 58.000 -0.041 0.000 0.918 697 F CB 1.217 40.166 39.000 -0.085 0.000 1.199 697 F HN 0.241 nan 8.300 nan 0.000 0.444 698 K N 4.630 124.612 120.400 -0.696 0.000 2.307 698 K HA 0.285 4.616 4.320 0.017 0.000 0.263 698 K C 0.251 176.580 176.600 -0.452 0.000 0.973 698 K CA -0.604 55.409 56.287 -0.457 0.000 0.846 698 K CB 0.668 33.032 32.500 -0.226 0.000 1.100 698 K HN 0.731 nan 8.250 nan 0.000 0.438 699 H N 1.836 120.721 119.070 -0.309 0.000 2.389 699 H HA 0.042 4.609 4.556 0.018 0.000 0.299 699 H C 0.828 176.090 175.328 -0.109 0.000 1.081 699 H CA 0.910 56.837 56.048 -0.201 0.000 1.345 699 H CB 0.394 30.114 29.762 -0.070 0.000 1.393 699 H HN 0.656 nan 8.280 nan 0.000 0.520 700 G N 0.100 108.913 108.800 0.021 0.000 3.829 700 G HA2 0.358 4.328 3.960 0.017 0.000 0.289 700 G HA3 0.358 4.328 3.960 0.017 0.000 0.289 700 G C -1.518 173.377 174.900 -0.009 0.000 1.274 700 G CA -0.267 44.845 45.100 0.020 0.000 0.698 700 G HN 0.120 nan 8.290 nan 0.000 0.488 701 D N 0.284 120.668 120.400 -0.026 0.000 2.706 701 D HA 0.197 4.847 4.640 0.017 0.000 0.227 701 D C -1.779 174.502 176.300 -0.032 0.000 1.233 701 D CA -0.476 53.510 54.000 -0.025 0.000 0.768 701 D CB 2.620 43.407 40.800 -0.021 0.000 1.490 701 D HN 0.122 nan 8.370 nan 0.000 0.458 702 D N 2.770 123.155 120.400 -0.026 0.000 2.313 702 D HA 0.179 4.830 4.640 0.017 0.000 0.239 702 D C 0.627 176.922 176.300 -0.008 0.000 1.142 702 D CA -0.253 53.731 54.000 -0.027 0.000 0.847 702 D CB 1.037 41.821 40.800 -0.026 0.000 1.082 702 D HN 0.404 nan 8.370 nan 0.000 0.480 703 L N 3.917 125.142 121.223 0.002 0.000 2.592 703 L HA 0.145 4.495 4.340 0.017 0.000 0.227 703 L C 2.339 179.228 176.870 0.032 0.000 1.127 703 L CA -0.216 54.646 54.840 0.036 0.000 0.884 703 L CB 0.059 42.155 42.059 0.060 0.000 1.065 703 L HN 0.279 nan 8.230 nan 0.000 0.457 704 R N 0.060 120.561 120.500 0.002 0.000 2.133 704 R HA -0.234 4.117 4.340 0.017 0.000 0.247 704 R C 2.060 178.349 176.300 -0.019 0.000 1.151 704 R CA 1.364 57.449 56.100 -0.025 0.000 0.971 704 R CB -0.267 30.007 30.300 -0.044 0.000 0.866 704 R HN 0.488 nan 8.270 nan 0.000 0.447 705 Q N 0.484 120.287 119.800 0.006 0.000 2.079 705 Q HA -0.158 4.192 4.340 0.017 0.000 0.200 705 Q C 1.337 177.369 176.000 0.054 0.000 0.974 705 Q CA 1.655 57.473 55.803 0.024 0.000 0.840 705 Q CB 0.018 28.774 28.738 0.030 0.000 0.898 705 Q HN 0.339 nan 8.270 nan 0.000 0.430 706 D N 0.251 120.709 120.400 0.096 0.000 2.144 706 D HA -0.188 4.462 4.640 0.017 0.000 0.200 706 D C 1.986 178.324 176.300 0.065 0.000 0.978 706 D CA 1.351 55.457 54.000 0.178 0.000 0.833 706 D CB 0.020 40.962 40.800 0.237 0.000 0.961 706 D HN 0.358 nan 8.370 nan 0.000 0.470 707 Q N 0.321 120.135 119.800 0.024 0.000 2.172 707 Q HA -0.104 4.246 4.340 0.017 0.000 0.200 707 Q C 2.174 178.117 176.000 -0.095 0.000 0.964 707 Q CA 0.761 56.546 55.803 -0.030 0.000 0.855 707 Q CB -0.378 28.353 28.738 -0.012 0.000 0.918 707 Q HN 0.364 nan 8.270 nan 0.000 0.444 708 L N 0.124 121.292 121.223 -0.092 0.000 2.056 708 L HA -0.118 4.233 4.340 0.017 0.000 0.207 708 L C 2.172 178.956 176.870 -0.142 0.000 1.078 708 L CA 0.748 55.515 54.840 -0.122 0.000 0.749 708 L CB -0.076 41.935 42.059 -0.080 0.000 0.901 708 L HN 0.273 nan 8.230 nan 0.000 0.433 709 I N -0.112 120.370 120.570 -0.147 0.000 2.439 709 I HA -0.232 3.948 4.170 0.017 0.000 0.251 709 I C 2.399 178.305 176.117 -0.353 0.000 1.139 709 I CA 1.312 62.456 61.300 -0.260 0.000 1.438 709 I CB -0.823 36.944 38.000 -0.388 0.000 1.085 709 I HN 0.310 nan 8.210 nan 0.000 0.427 710 L N 0.095 121.130 121.223 -0.314 0.000 2.156 710 L HA -0.163 4.188 4.340 0.017 0.000 0.208 710 L C 2.614 179.343 176.870 -0.234 0.000 1.095 710 L CA 1.051 55.696 54.840 -0.324 0.000 0.770 710 L CB -0.582 41.276 42.059 -0.335 0.000 0.914 710 L HN 0.289 nan 8.230 nan 0.000 0.439 711 Q N -0.658 119.026 119.800 -0.193 0.000 2.124 711 Q HA -0.249 4.102 4.340 0.017 0.000 0.202 711 Q C 2.185 178.089 176.000 -0.161 0.000 0.977 711 Q CA 1.449 57.154 55.803 -0.164 0.000 0.850 711 Q CB 0.022 28.666 28.738 -0.156 0.000 0.901 711 Q HN 0.359 nan 8.270 nan 0.000 0.429 712 M N 0.213 119.706 119.600 -0.179 0.000 2.132 712 M HA -0.060 4.430 4.480 0.017 0.000 0.263 712 M C 2.114 178.329 176.300 -0.142 0.000 1.065 712 M CA 1.142 56.351 55.300 -0.151 0.000 1.122 712 M CB -0.555 31.973 32.600 -0.120 0.000 1.365 712 M HN 0.304 nan 8.290 nan 0.000 0.411 713 I N -0.659 119.799 120.570 -0.187 0.000 2.353 713 I HA -0.243 3.938 4.170 0.017 0.000 0.248 713 I C 2.123 178.146 176.117 -0.157 0.000 1.119 713 I CA 1.066 62.251 61.300 -0.192 0.000 1.417 713 I CB -0.421 37.448 38.000 -0.218 0.000 1.078 713 I HN 0.246 nan 8.210 nan 0.000 0.421 714 T N 1.091 115.558 114.554 -0.146 0.000 2.821 714 T HA -0.153 4.208 4.350 0.017 0.000 0.267 714 T C 1.924 176.560 174.700 -0.107 0.000 1.046 714 T CA 1.177 63.205 62.100 -0.120 0.000 1.139 714 T CB -0.187 68.609 68.868 -0.121 0.000 0.871 714 T HN 0.303 nan 8.240 nan 0.000 0.454 715 L N 0.006 121.168 121.223 -0.101 0.000 2.072 715 L HA 0.043 4.393 4.340 0.017 0.000 0.205 715 L C 2.401 179.224 176.870 -0.079 0.000 1.079 715 L CA 1.247 56.042 54.840 -0.075 0.000 0.752 715 L CB -0.221 41.809 42.059 -0.048 0.000 0.906 715 L HN 0.288 nan 8.230 nan 0.000 0.436 716 M N -0.446 119.103 119.600 -0.085 0.000 2.175 716 M HA -0.220 4.271 4.480 0.017 0.000 0.264 716 M C 1.772 178.011 176.300 -0.101 0.000 1.063 716 M CA 1.938 57.190 55.300 -0.080 0.000 1.119 716 M CB -0.401 32.152 32.600 -0.078 0.000 1.377 716 M HN 0.293 nan 8.290 nan 0.000 0.415 717 D N 0.479 120.812 120.400 -0.112 0.000 2.117 717 D HA -0.134 4.517 4.640 0.017 0.000 0.198 717 D C 1.836 178.076 176.300 -0.101 0.000 0.982 717 D CA 1.398 55.333 54.000 -0.109 0.000 0.828 717 D CB 0.119 40.857 40.800 -0.104 0.000 0.967 717 D HN 0.160 nan 8.370 nan 0.000 0.464 718 K N -0.420 119.921 120.400 -0.098 0.000 2.057 718 K HA -0.056 4.275 4.320 0.017 0.000 0.207 718 K C 2.284 178.814 176.600 -0.117 0.000 1.049 718 K CA 0.727 56.958 56.287 -0.094 0.000 0.931 718 K CB -0.114 32.333 32.500 -0.088 0.000 0.714 718 K HN 0.234 nan 8.250 nan 0.000 0.440 719 L N 0.708 121.842 121.223 -0.148 0.000 2.093 719 L HA -0.168 4.183 4.340 0.017 0.000 0.208 719 L C 2.231 178.967 176.870 -0.225 0.000 1.085 719 L CA 0.928 55.620 54.840 -0.247 0.000 0.755 719 L CB -0.181 41.695 42.059 -0.306 0.000 0.904 719 L HN 0.182 nan 8.230 nan 0.000 0.435 720 L N -1.041 120.085 121.223 -0.162 0.000 2.156 720 L HA -0.134 4.216 4.340 0.017 0.000 0.208 720 L C 2.743 179.522 176.870 -0.152 0.000 1.095 720 L CA 0.871 55.613 54.840 -0.163 0.000 0.770 720 L CB -0.313 41.663 42.059 -0.138 0.000 0.914 720 L HN 0.183 nan 8.230 nan 0.000 0.439 721 R N -0.357 120.073 120.500 -0.117 0.000 2.119 721 R HA -0.030 4.320 4.340 0.017 0.000 0.222 721 R C 2.327 178.584 176.300 -0.072 0.000 1.088 721 R CA 0.612 56.660 56.100 -0.088 0.000 0.984 721 R CB 0.009 30.267 30.300 -0.071 0.000 0.884 721 R HN 0.355 nan 8.270 nan 0.000 0.447 722 R N 0.592 121.046 120.500 -0.076 0.000 2.115 722 R HA -0.066 4.284 4.340 0.017 0.000 0.230 722 R C 1.359 177.642 176.300 -0.027 0.000 1.111 722 R CA 0.823 56.894 56.100 -0.048 0.000 0.976 722 R CB -0.097 30.169 30.300 -0.056 0.000 0.870 722 R HN 0.159 nan 8.270 nan 0.000 0.445 723 E N 0.590 120.762 120.200 -0.046 0.000 2.482 723 E HA -0.078 4.283 4.350 0.017 0.000 0.196 723 E C 0.216 176.785 176.600 -0.051 0.000 1.047 723 E CA 0.111 56.506 56.400 -0.010 0.000 0.869 723 E CB -0.390 29.279 29.700 -0.052 0.000 0.836 723 E HN 0.212 nan 8.360 nan 0.000 0.520 724 N N -0.316 118.345 118.700 -0.066 0.000 2.937 724 N HA -0.141 4.610 4.740 0.017 0.000 0.248 724 N C -1.296 174.164 175.510 -0.084 0.000 1.069 724 N CA 0.160 53.178 53.050 -0.055 0.000 0.822 724 N CB -1.173 37.300 38.487 -0.022 0.000 1.122 724 N HN 0.007 nan 8.380 nan 0.000 0.554 725 L N 1.444 122.586 121.223 -0.135 0.000 2.264 725 L HA 0.418 4.768 4.340 0.017 0.000 0.287 725 L C -0.023 176.788 176.870 -0.097 0.000 1.039 725 L CA -0.153 54.605 54.840 -0.138 0.000 0.829 725 L CB 0.986 42.906 42.059 -0.232 0.000 1.211 725 L HN 0.146 nan 8.230 nan 0.000 0.427 726 D N 4.008 124.370 120.400 -0.063 0.000 2.373 726 D HA 0.244 4.894 4.640 0.017 0.000 0.227 726 D C 0.716 176.996 176.300 -0.034 0.000 1.091 726 D CA -0.254 53.718 54.000 -0.047 0.000 0.840 726 D CB 1.059 41.841 40.800 -0.031 0.000 1.060 726 D HN 0.388 nan 8.370 nan 0.000 0.502 727 L N 3.432 124.633 121.223 -0.037 0.000 2.653 727 L HA 0.132 4.483 4.340 0.017 0.000 0.231 727 L C 0.629 177.508 176.870 0.015 0.000 1.153 727 L CA -0.210 54.618 54.840 -0.019 0.000 0.933 727 L CB -0.246 41.790 42.059 -0.039 0.000 1.175 727 L HN 0.332 nan 8.230 nan 0.000 0.473 728 K N 0.484 120.894 120.400 0.015 0.000 3.071 728 K HA -0.162 4.168 4.320 0.017 0.000 0.265 728 K C -0.013 176.646 176.600 0.099 0.000 1.060 728 K CA 0.621 56.934 56.287 0.044 0.000 0.767 728 K CB -2.263 30.265 32.500 0.048 0.000 1.241 728 K HN 0.389 nan 8.250 nan 0.000 0.486 729 L N 1.078 122.346 121.223 0.074 0.000 2.456 729 L HA 0.094 4.445 4.340 0.017 0.000 0.272 729 L C 1.324 178.275 176.870 0.134 0.000 1.189 729 L CA 0.390 55.317 54.840 0.145 0.000 0.846 729 L CB 0.351 42.370 42.059 -0.066 0.000 1.111 729 L HN 0.249 nan 8.230 nan 0.000 0.475 730 T N 0.450 115.134 114.554 0.217 0.000 2.801 730 T HA 0.537 4.898 4.350 0.017 0.000 0.306 730 T C -2.520 172.241 174.700 0.100 0.000 1.020 730 T CA -1.785 60.347 62.100 0.053 0.000 0.948 730 T CB 1.166 69.929 68.868 -0.176 0.000 0.962 730 T HN 0.267 nan 8.240 nan 0.000 0.465 731 P HA 0.344 nan 4.420 nan 0.000 0.297 731 P C -1.035 176.246 177.300 -0.031 0.000 1.331 731 P CA -0.644 62.422 63.100 -0.057 0.000 0.803 731 P CB 0.009 31.657 31.700 -0.087 0.000 0.929 732 Y N -0.081 120.231 120.300 0.019 0.000 2.387 732 Y HA 0.550 5.110 4.550 0.017 0.000 0.330 732 Y C 0.275 176.210 175.900 0.058 0.000 1.133 732 Y CA -1.421 56.688 58.100 0.016 0.000 1.152 732 Y CB 1.194 39.658 38.460 0.007 0.000 1.215 732 Y HN 0.077 nan 8.280 nan 0.000 0.466 733 K N 2.663 123.192 120.400 0.215 0.000 2.368 733 K HA 0.429 4.759 4.320 0.017 0.000 0.282 733 K C -0.920 175.816 176.600 0.226 0.000 1.035 733 K CA -0.411 55.960 56.287 0.140 0.000 0.973 733 K CB 1.198 33.769 32.500 0.118 0.000 0.957 733 K HN 0.563 nan 8.250 nan 0.000 0.474 734 V N 3.669 123.674 119.914 0.151 0.000 2.919 734 V HA 0.500 4.630 4.120 0.017 0.000 0.316 734 V C -0.759 175.433 176.094 0.164 0.000 1.077 734 V CA -1.057 61.366 62.300 0.205 0.000 0.977 734 V CB 1.821 33.760 31.823 0.193 0.000 1.039 734 V HN 0.576 nan 8.190 nan 0.000 0.441 735 L N 2.102 123.439 121.223 0.190 0.000 2.393 735 L HA 0.970 5.320 4.340 0.017 0.000 0.260 735 L C -0.222 176.736 176.870 0.147 0.000 1.002 735 L CA -0.280 54.665 54.840 0.175 0.000 0.818 735 L CB 1.907 44.047 42.059 0.134 0.000 1.369 735 L HN 0.815 nan 8.230 nan 0.000 0.412 736 A N 2.171 125.071 122.820 0.133 0.000 2.282 736 A HA 0.763 5.094 4.320 0.017 0.000 0.319 736 A C 0.227 177.835 177.584 0.040 0.000 1.121 736 A CA 0.003 52.084 52.037 0.072 0.000 0.836 736 A CB 0.709 19.734 19.000 0.041 0.000 1.146 736 A HN 0.867 nan 8.150 nan 0.000 0.494 737 T N 0.387 114.932 114.554 -0.015 0.000 2.813 737 T HA 0.223 4.584 4.350 0.017 0.000 0.188 737 T C 0.958 175.659 174.700 0.002 0.000 0.698 737 T CA 0.348 62.432 62.100 -0.028 0.000 2.089 737 T CB -0.328 68.635 68.868 0.158 0.000 2.834 737 T HN 0.669 nan 8.240 nan 0.000 0.370 738 S N 2.447 118.002 115.700 -0.241 0.000 2.569 738 S HA 0.200 4.681 4.470 0.017 0.000 0.274 738 S C 0.456 174.880 174.600 -0.295 0.000 1.353 738 S CA -0.600 57.407 58.200 -0.322 0.000 1.023 738 S CB 0.227 63.104 63.200 -0.539 0.000 0.876 738 S HN 0.721 nan 8.310 nan 0.000 0.540 739 S N 1.843 117.454 115.700 -0.148 0.000 2.558 739 S HA 0.142 4.623 4.470 0.017 0.000 0.288 739 S C 0.765 175.275 174.600 -0.149 0.000 1.318 739 S CA -0.000 58.134 58.200 -0.109 0.000 1.056 739 S CB -0.018 63.151 63.200 -0.051 0.000 0.853 739 S HN 1.009 nan 8.310 nan 0.000 0.505 740 K N 0.276 120.613 120.400 -0.104 0.000 3.583 740 K HA -0.256 4.075 4.320 0.017 0.000 0.287 740 K C -0.344 176.238 176.600 -0.031 0.000 1.269 740 K CA 1.754 58.007 56.287 -0.057 0.000 0.998 740 K CB -2.663 29.836 32.500 -0.001 0.000 1.284 740 K HN 1.134 nan 8.250 nan 0.000 0.472 741 H N -1.347 117.683 119.070 -0.068 0.000 2.980 741 H HA 0.809 5.375 4.556 0.017 0.000 0.367 741 H C 0.053 175.285 175.328 -0.159 0.000 1.206 741 H CA -0.483 55.445 56.048 -0.201 0.000 1.126 741 H CB 2.333 31.957 29.762 -0.230 0.000 1.838 741 H HN 0.314 nan 8.280 nan 0.000 0.552 742 G N 0.340 109.055 108.800 -0.142 0.000 2.663 742 G HA2 0.473 4.444 3.960 0.017 0.000 0.299 742 G HA3 0.473 4.444 3.960 0.017 0.000 0.299 742 G C -1.880 172.958 174.900 -0.104 0.000 1.372 742 G CA -0.907 44.180 45.100 -0.022 0.000 0.781 742 G HN 0.360 nan 8.290 nan 0.000 0.491 743 F N -1.052 119.040 119.950 0.237 0.000 2.410 743 F HA 0.836 5.372 4.527 0.016 0.000 0.324 743 F C 0.263 176.197 175.800 0.224 0.000 1.093 743 F CA -0.607 57.571 58.000 0.297 0.000 1.028 743 F CB 1.790 40.952 39.000 0.270 0.000 1.309 743 F HN 0.141 nan 8.300 nan 0.000 0.499 744 L N 0.381 121.895 121.223 0.485 0.000 2.472 744 L HA 0.314 4.664 4.340 0.017 0.000 0.260 744 L C -0.554 176.560 176.870 0.406 0.000 0.963 744 L CA -0.752 54.328 54.840 0.400 0.000 0.829 744 L CB 2.019 44.280 42.059 0.337 0.000 1.348 744 L HN 0.504 nan 8.230 nan 0.000 0.408 745 Q N 1.083 121.101 119.800 0.362 0.000 2.386 745 Q HA 0.035 4.385 4.340 0.017 0.000 0.282 745 Q C -1.521 174.636 176.000 0.261 0.000 1.050 745 Q CA 0.201 56.192 55.803 0.313 0.000 0.918 745 Q CB 0.706 29.602 28.738 0.264 0.000 1.266 745 Q HN 0.498 nan 8.270 nan 0.000 0.423 746 Y N 3.553 123.911 120.300 0.098 0.000 2.330 746 Y HA 0.424 4.985 4.550 0.018 0.000 0.336 746 Y C -0.998 174.898 175.900 -0.006 0.000 1.036 746 Y CA -0.883 57.256 58.100 0.065 0.000 1.125 746 Y CB 0.920 39.447 38.460 0.110 0.000 1.194 746 Y HN 0.343 nan 8.280 nan 0.000 0.469 747 V N 3.673 123.230 119.914 -0.594 0.000 2.435 747 V HA 0.342 4.472 4.120 0.017 0.000 0.290 747 V C -0.182 175.423 176.094 -0.815 0.000 1.030 747 V CA -1.135 60.831 62.300 -0.558 0.000 0.881 747 V CB 1.592 33.135 31.823 -0.466 0.000 0.983 747 V HN 0.794 nan 8.190 nan 0.000 0.445 748 D N 3.311 123.393 120.400 -0.530 0.000 2.371 748 D HA 0.433 5.084 4.640 0.017 0.000 0.256 748 D C 0.087 176.339 176.300 -0.080 0.000 1.193 748 D CA 0.641 54.459 54.000 -0.305 0.000 0.881 748 D CB 1.269 42.044 40.800 -0.042 0.000 1.143 748 D HN 1.015 nan 8.370 nan 0.000 0.473 749 S N 1.837 117.532 115.700 -0.008 0.000 2.615 749 S HA 0.404 4.884 4.470 0.017 0.000 0.269 749 S C -1.041 173.594 174.600 0.060 0.000 1.161 749 S CA -0.921 57.333 58.200 0.090 0.000 0.817 749 S CB 1.678 64.978 63.200 0.166 0.000 1.131 749 S HN 0.486 nan 8.310 nan 0.000 0.467 750 C N 1.404 120.714 119.300 0.017 0.000 2.417 750 C HA 0.786 5.257 4.460 0.017 0.000 0.324 750 C C 0.799 175.676 174.990 -0.189 0.000 1.240 750 C CA 0.011 58.991 59.018 -0.063 0.000 1.632 750 C CB 1.132 28.827 27.740 -0.074 0.000 2.241 750 C HN 0.983 nan 8.230 nan 0.000 0.499 751 T N 2.534 116.970 114.554 -0.197 0.000 2.940 751 T HA 0.093 4.453 4.350 0.017 0.000 0.309 751 T C 1.316 175.850 174.700 -0.276 0.000 1.056 751 T CA 0.213 62.162 62.100 -0.252 0.000 1.137 751 T CB 0.728 69.469 68.868 -0.211 0.000 0.976 751 T HN 0.567 nan 8.240 nan 0.000 0.547 752 V N 4.986 124.721 119.914 -0.298 0.000 2.324 752 V HA -0.251 3.880 4.120 0.017 0.000 0.250 752 V C 2.673 178.619 176.094 -0.247 0.000 1.060 752 V CA 2.445 64.567 62.300 -0.296 0.000 1.042 752 V CB -1.131 30.538 31.823 -0.257 0.000 0.650 752 V HN 1.046 nan 8.190 nan 0.000 0.450 753 A N -0.894 121.809 122.820 -0.196 0.000 1.940 753 A HA -0.270 4.061 4.320 0.017 0.000 0.219 753 A C 2.174 179.667 177.584 -0.152 0.000 1.176 753 A CA 2.004 53.949 52.037 -0.154 0.000 0.631 753 A CB -0.458 18.468 19.000 -0.123 0.000 0.814 753 A HN 0.652 nan 8.150 nan 0.000 0.446 754 E N -0.673 119.428 120.200 -0.164 0.000 2.107 754 E HA -0.081 4.280 4.350 0.017 0.000 0.191 754 E C 1.935 178.436 176.600 -0.166 0.000 0.982 754 E CA 1.025 57.343 56.400 -0.136 0.000 0.809 754 E CB -0.135 29.492 29.700 -0.122 0.000 0.756 754 E HN 0.399 nan 8.360 nan 0.000 0.459 755 V N 1.234 120.990 119.914 -0.264 0.000 2.358 755 V HA -0.216 3.914 4.120 0.017 0.000 0.246 755 V C 2.152 178.103 176.094 -0.239 0.000 1.047 755 V CA 1.341 63.422 62.300 -0.366 0.000 1.035 755 V CB -0.228 31.190 31.823 -0.675 0.000 0.658 755 V HN 0.262 nan 8.190 nan 0.000 0.452 756 L N -0.249 120.849 121.223 -0.208 0.000 2.131 756 L HA -0.016 4.335 4.340 0.017 0.000 0.206 756 L C 2.640 179.444 176.870 -0.111 0.000 1.087 756 L CA 1.257 56.004 54.840 -0.156 0.000 0.767 756 L CB -0.692 41.278 42.059 -0.149 0.000 0.917 756 L HN 0.330 nan 8.230 nan 0.000 0.441 757 A N -0.095 122.662 122.820 -0.104 0.000 1.968 757 A HA -0.176 4.155 4.320 0.017 0.000 0.217 757 A C 2.421 179.970 177.584 -0.059 0.000 1.169 757 A CA 1.432 53.424 52.037 -0.075 0.000 0.638 757 A CB -0.328 18.631 19.000 -0.070 0.000 0.812 757 A HN 0.307 nan 8.150 nan 0.000 0.446 758 R N -1.323 119.140 120.500 -0.062 0.000 2.206 758 R HA 0.174 4.525 4.340 0.017 0.000 0.198 758 R C -0.381 175.907 176.300 -0.020 0.000 0.986 758 R CA 0.423 56.503 56.100 -0.032 0.000 1.029 758 R CB 0.324 30.613 30.300 -0.019 0.000 0.966 758 R HN 0.419 nan 8.270 nan 0.000 0.487 759 E N -1.965 118.214 120.200 -0.036 0.000 2.256 759 E HA 0.278 4.639 4.350 0.017 0.000 0.268 759 E C 0.217 176.786 176.600 -0.052 0.000 0.877 759 E CA -0.133 56.255 56.400 -0.019 0.000 0.757 759 E CB 1.790 31.511 29.700 0.034 0.000 1.183 759 E HN 0.170 nan 8.360 nan 0.000 0.418 760 G N 3.656 112.429 108.800 -0.045 0.000 2.574 760 G HA2 -0.293 3.678 3.960 0.017 0.000 0.220 760 G HA3 -0.293 3.678 3.960 0.017 0.000 0.220 760 G C 0.415 175.261 174.900 -0.091 0.000 1.173 760 G CA 1.659 46.722 45.100 -0.061 0.000 0.772 760 G HN 0.609 nan 8.290 nan 0.000 0.585 761 N N -1.887 116.756 118.700 -0.096 0.000 2.571 761 N HA 0.355 5.105 4.740 0.017 0.000 0.273 761 N C 0.743 176.156 175.510 -0.160 0.000 1.340 761 N CA -0.953 52.010 53.050 -0.145 0.000 0.789 761 N CB 0.703 39.094 38.487 -0.160 0.000 1.514 761 N HN -0.006 nan 8.380 nan 0.000 0.499 762 I N -0.048 120.371 120.570 -0.252 0.000 2.264 762 I HA -0.285 3.895 4.170 0.017 0.000 0.248 762 I C 1.902 177.842 176.117 -0.295 0.000 1.111 762 I CA 1.358 62.429 61.300 -0.381 0.000 1.382 762 I CB -0.392 37.282 38.000 -0.543 0.000 1.060 762 I HN 0.556 nan 8.210 nan 0.000 0.418 763 H N 0.316 119.195 119.070 -0.319 0.000 2.353 763 H HA -0.130 4.436 4.556 0.017 0.000 0.300 763 H C 1.938 177.228 175.328 -0.064 0.000 1.090 763 H CA 1.028 56.967 56.048 -0.182 0.000 1.327 763 H CB 0.086 29.743 29.762 -0.174 0.000 1.383 763 H HN 0.343 nan 8.280 nan 0.000 0.508 764 N N 0.717 119.457 118.700 0.067 0.000 2.223 764 N HA -0.146 4.605 4.740 0.017 0.000 0.185 764 N C 1.703 177.239 175.510 0.043 0.000 1.016 764 N CA 0.891 53.967 53.050 0.044 0.000 0.863 764 N CB -0.367 38.131 38.487 0.018 0.000 0.983 764 N HN 0.349 nan 8.380 nan 0.000 0.429 765 F N 0.027 119.903 119.950 -0.124 0.000 2.270 765 F HA 0.068 4.605 4.527 0.017 0.000 0.295 765 F C 1.801 177.618 175.800 0.027 0.000 1.087 765 F CA 0.712 58.638 58.000 -0.123 0.000 1.365 765 F CB -0.244 38.648 39.000 -0.181 0.000 1.056 765 F HN -0.202 nan 8.300 nan 0.000 0.506 766 F N 1.289 121.129 119.950 -0.184 0.000 2.206 766 F HA 0.059 4.596 4.527 0.017 0.000 0.298 766 F C 2.698 178.394 175.800 -0.174 0.000 1.090 766 F CA 1.164 58.999 58.000 -0.275 0.000 1.323 766 F CB -1.184 37.725 39.000 -0.151 0.000 1.028 766 F HN 0.001 nan 8.300 nan 0.000 0.492 767 R N 0.807 121.362 120.500 0.092 0.000 2.115 767 R HA -0.160 4.191 4.340 0.017 0.000 0.230 767 R C 2.283 178.579 176.300 -0.006 0.000 1.111 767 R CA 1.363 57.493 56.100 0.049 0.000 0.976 767 R CB -0.133 30.192 30.300 0.041 0.000 0.870 767 R HN 0.246 nan 8.270 nan 0.000 0.445 768 K N -0.893 119.446 120.400 -0.100 0.000 2.103 768 K HA -0.150 4.180 4.320 0.017 0.000 0.204 768 K C 1.478 177.970 176.600 -0.179 0.000 1.052 768 K CA 1.320 57.499 56.287 -0.179 0.000 0.945 768 K CB -0.017 32.302 32.500 -0.301 0.000 0.722 768 K HN 0.268 nan 8.250 nan 0.000 0.443 769 H N -0.646 118.389 119.070 -0.059 0.000 2.448 769 H HA 0.111 4.678 4.556 0.018 0.000 0.292 769 H C 0.212 175.522 175.328 -0.030 0.000 1.035 769 H CA 0.887 56.927 56.048 -0.013 0.000 1.349 769 H CB 0.352 30.133 29.762 0.032 0.000 1.425 769 H HN 0.278 nan 8.280 nan 0.000 0.539 770 H N -0.205 118.868 119.070 0.006 0.000 2.490 770 H HA 0.210 4.776 4.556 0.017 0.000 0.230 770 H C -2.641 172.671 175.328 -0.027 0.000 1.417 770 H CA -1.681 54.353 56.048 -0.023 0.000 1.449 770 H CB 1.545 31.267 29.762 -0.066 0.000 1.649 770 H HN 0.160 nan 8.280 nan 0.000 0.519 771 P HA 0.099 nan 4.420 nan 0.000 0.287 771 P C -0.267 177.048 177.300 0.025 0.000 1.281 771 P CA -0.248 62.871 63.100 0.032 0.000 0.781 771 P CB 1.038 32.743 31.700 0.009 0.000 0.903 772 C N 4.081 123.397 119.300 0.026 0.000 2.322 772 C HA 0.233 4.704 4.460 0.017 0.000 0.324 772 C C 1.745 176.743 174.990 0.013 0.000 1.249 772 C CA -0.342 58.686 59.018 0.016 0.000 1.453 772 C CB -0.517 27.232 27.740 0.016 0.000 2.145 772 C HN 0.680 nan 8.230 nan 0.000 0.466 773 D N 2.214 122.620 120.400 0.010 0.000 2.221 773 D HA -0.124 4.527 4.640 0.017 0.000 0.204 773 D C 1.264 177.568 176.300 0.007 0.000 0.982 773 D CA 1.481 55.487 54.000 0.010 0.000 0.857 773 D CB 0.320 41.125 40.800 0.008 0.000 0.934 773 D HN 0.679 nan 8.370 nan 0.000 0.475 774 N N -0.378 118.324 118.700 0.003 0.000 2.415 774 N HA 0.065 4.815 4.740 0.017 0.000 0.176 774 N C 0.938 176.441 175.510 -0.011 0.000 1.042 774 N CA 0.409 53.458 53.050 -0.002 0.000 0.902 774 N CB 1.503 39.989 38.487 -0.000 0.000 0.986 774 N HN 0.114 nan 8.380 nan 0.000 0.447 775 G N -0.149 108.642 108.800 -0.014 0.000 2.466 775 G HA2 0.225 4.195 3.960 0.017 0.000 0.291 775 G HA3 0.225 4.195 3.960 0.017 0.000 0.291 775 G C -2.552 172.328 174.900 -0.034 0.000 1.460 775 G CA -0.590 44.488 45.100 -0.036 0.000 0.791 775 G HN -0.255 nan 8.290 nan 0.000 0.505 776 P HA 0.047 nan 4.420 nan 0.000 0.217 776 P C 0.455 177.516 177.300 -0.397 0.000 1.154 776 P CA 1.055 64.025 63.100 -0.216 0.000 0.841 776 P CB 0.361 31.945 31.700 -0.192 0.000 0.790 777 Y N -0.451 119.830 120.300 -0.032 0.000 2.625 777 Y HA 0.437 4.997 4.550 0.017 0.000 0.285 777 Y C 1.514 177.400 175.900 -0.024 0.000 1.168 777 Y CA 0.252 58.333 58.100 -0.032 0.000 1.250 777 Y CB -0.230 38.139 38.460 -0.150 0.000 1.130 777 Y HN 0.048 nan 8.280 nan 0.000 0.526 778 G N 0.989 109.821 108.800 0.054 0.000 2.136 778 G HA2 -0.292 3.678 3.960 0.017 0.000 0.242 778 G HA3 -0.292 3.678 3.960 0.017 0.000 0.242 778 G C -0.203 174.721 174.900 0.041 0.000 0.989 778 G CA -0.016 45.112 45.100 0.046 0.000 0.682 778 G HN 0.353 nan 8.290 nan 0.000 0.522 779 I N 1.470 122.058 120.570 0.030 0.000 2.436 779 I HA 0.332 4.512 4.170 0.017 0.000 0.289 779 I C 0.580 176.694 176.117 -0.006 0.000 1.010 779 I CA -0.892 60.415 61.300 0.012 0.000 1.098 779 I CB 1.978 39.967 38.000 -0.018 0.000 1.266 779 I HN 0.085 nan 8.210 nan 0.000 0.434 780 S N 4.702 120.407 115.700 0.007 0.000 2.673 780 S HA -0.050 4.430 4.470 0.017 0.000 0.308 780 S C 1.491 176.076 174.600 -0.025 0.000 1.246 780 S CA 0.146 58.350 58.200 0.006 0.000 1.077 780 S CB 0.913 64.142 63.200 0.048 0.000 0.814 780 S HN 0.824 nan 8.310 nan 0.000 0.503 781 A N 4.024 126.847 122.820 0.005 0.000 1.985 781 A HA -0.290 4.040 4.320 0.017 0.000 0.223 781 A C 1.967 179.562 177.584 0.019 0.000 1.189 781 A CA 2.191 54.247 52.037 0.033 0.000 0.658 781 A CB -0.672 18.355 19.000 0.044 0.000 0.820 781 A HN 0.874 nan 8.150 nan 0.000 0.464 782 E N -0.281 119.911 120.200 -0.014 0.000 2.107 782 E HA -0.043 4.317 4.350 0.017 0.000 0.191 782 E C 1.753 178.303 176.600 -0.084 0.000 0.982 782 E CA 1.100 57.485 56.400 -0.026 0.000 0.809 782 E CB -0.588 29.097 29.700 -0.024 0.000 0.756 782 E HN 0.392 nan 8.360 nan 0.000 0.459 783 V N 0.946 120.750 119.914 -0.183 0.000 2.343 783 V HA -0.244 3.886 4.120 0.017 0.000 0.247 783 V C 2.233 178.161 176.094 -0.278 0.000 1.051 783 V CA 1.489 63.565 62.300 -0.372 0.000 1.036 783 V CB -0.455 30.970 31.823 -0.663 0.000 0.654 783 V HN 0.301 nan 8.190 nan 0.000 0.451 784 M N -0.020 119.492 119.600 -0.146 0.000 2.159 784 M HA -0.161 4.330 4.480 0.017 0.000 0.263 784 M C 2.010 178.388 176.300 0.132 0.000 1.063 784 M CA 1.816 57.114 55.300 -0.004 0.000 1.110 784 M CB -1.228 31.353 32.600 -0.032 0.000 1.374 784 M HN 0.421 nan 8.290 nan 0.000 0.411 785 D N -0.045 120.417 120.400 0.103 0.000 2.117 785 D HA -0.133 4.518 4.640 0.017 0.000 0.198 785 D C 1.939 178.285 176.300 0.077 0.000 0.982 785 D CA 2.114 56.186 54.000 0.120 0.000 0.828 785 D CB 0.172 41.017 40.800 0.076 0.000 0.967 785 D HN 0.440 nan 8.370 nan 0.000 0.464 786 T N -2.292 112.283 114.554 0.034 0.000 2.904 786 T HA -0.204 4.157 4.350 0.017 0.000 0.267 786 T C 2.054 176.794 174.700 0.066 0.000 1.059 786 T CA 0.984 63.100 62.100 0.027 0.000 1.137 786 T CB -0.790 68.074 68.868 -0.007 0.000 0.879 786 T HN 0.318 nan 8.240 nan 0.000 0.467 787 Y N 1.249 121.539 120.300 -0.017 0.000 2.263 787 Y HA 0.151 4.711 4.550 0.017 0.000 0.292 787 Y C 1.884 177.805 175.900 0.035 0.000 1.130 787 Y CA 0.566 58.699 58.100 0.055 0.000 1.179 787 Y CB -0.397 38.150 38.460 0.144 0.000 0.998 787 Y HN 0.164 nan 8.280 nan 0.000 0.532 788 I N 0.767 121.298 120.570 -0.066 0.000 2.315 788 I HA -0.235 3.945 4.170 0.017 0.000 0.248 788 I C 2.243 178.254 176.117 -0.177 0.000 1.117 788 I CA 1.451 62.651 61.300 -0.167 0.000 1.404 788 I CB -0.390 37.676 38.000 0.109 0.000 1.071 788 I HN 0.123 nan 8.210 nan 0.000 0.419 789 K N -0.210 120.153 120.400 -0.061 0.000 2.116 789 K HA -0.024 4.306 4.320 0.017 0.000 0.203 789 K C 2.173 178.759 176.600 -0.023 0.000 1.052 789 K CA 1.491 57.767 56.287 -0.018 0.000 0.952 789 K CB -0.137 32.368 32.500 0.008 0.000 0.729 789 K HN 0.292 nan 8.250 nan 0.000 0.446 790 S N 1.033 116.717 115.700 -0.027 0.000 2.383 790 S HA -0.136 4.344 4.470 0.017 0.000 0.227 790 S C 2.287 176.937 174.600 0.084 0.000 1.026 790 S CA 0.877 59.138 58.200 0.103 0.000 0.981 790 S CB -0.517 62.767 63.200 0.139 0.000 0.818 790 S HN 0.299 nan 8.310 nan 0.000 0.472 791 C N 1.944 121.113 119.300 -0.217 0.000 2.446 791 C HA 0.121 4.591 4.460 0.017 0.000 0.277 791 C C 3.204 178.116 174.990 -0.131 0.000 1.275 791 C CA 0.602 59.421 59.018 -0.331 0.000 1.727 791 C CB -1.474 25.742 27.740 -0.873 0.000 2.010 791 C HN 0.699 nan 8.230 nan 0.000 0.486 792 A N 0.520 123.303 122.820 -0.063 0.000 1.902 792 A HA 0.056 4.386 4.320 0.017 0.000 0.217 792 A C 2.381 180.038 177.584 0.121 0.000 1.181 792 A CA 2.069 54.245 52.037 0.232 0.000 0.623 792 A CB -1.201 17.940 19.000 0.236 0.000 0.818 792 A HN 0.555 nan 8.150 nan 0.000 0.443 793 G N -1.936 106.887 108.800 0.038 0.000 2.418 793 G HA2 -0.188 3.783 3.960 0.017 0.000 0.217 793 G HA3 -0.188 3.783 3.960 0.017 0.000 0.217 793 G C 1.461 176.268 174.900 -0.154 0.000 1.158 793 G CA 1.165 46.218 45.100 -0.078 0.000 0.771 793 G HN 0.539 nan 8.290 nan 0.000 0.545 794 Y N 0.038 120.348 120.300 0.017 0.000 2.337 794 Y HA 0.002 4.562 4.550 0.017 0.000 0.293 794 Y C 3.017 178.901 175.900 -0.027 0.000 1.123 794 Y CA 0.463 58.546 58.100 -0.029 0.000 1.201 794 Y CB -0.231 38.231 38.460 0.005 0.000 1.011 794 Y HN 0.217 nan 8.280 nan 0.000 0.545 795 C N -1.354 118.054 119.300 0.181 0.000 2.446 795 C HA -0.105 4.366 4.460 0.017 0.000 0.277 795 C C 2.716 177.786 174.990 0.133 0.000 1.275 795 C CA 0.775 59.896 59.018 0.173 0.000 1.727 795 C CB -1.041 26.834 27.740 0.225 0.000 2.010 795 C HN 0.319 nan 8.230 nan 0.000 0.486 796 V N 1.095 121.068 119.914 0.098 0.000 2.358 796 V HA -0.161 3.969 4.120 0.017 0.000 0.246 796 V C 2.164 178.318 176.094 0.100 0.000 1.047 796 V CA 1.858 64.214 62.300 0.093 0.000 1.035 796 V CB -0.456 31.414 31.823 0.078 0.000 0.658 796 V HN 0.525 nan 8.190 nan 0.000 0.452 797 I N -0.344 120.232 120.570 0.009 0.000 2.500 797 I HA -0.149 4.032 4.170 0.017 0.000 0.252 797 I C 2.442 178.554 176.117 -0.008 0.000 1.142 797 I CA 1.361 62.636 61.300 -0.042 0.000 1.451 797 I CB -0.665 37.227 38.000 -0.180 0.000 1.093 797 I HN 0.296 nan 8.210 nan 0.000 0.430 798 T N 0.278 114.848 114.554 0.026 0.000 2.821 798 T HA -0.216 4.144 4.350 0.017 0.000 0.267 798 T C 1.780 176.537 174.700 0.096 0.000 1.046 798 T CA 1.362 63.494 62.100 0.054 0.000 1.139 798 T CB -0.339 68.554 68.868 0.043 0.000 0.871 798 T HN 0.378 nan 8.240 nan 0.000 0.454 799 Y N 1.329 121.629 120.300 -0.001 0.000 2.263 799 Y HA 0.137 4.697 4.550 0.017 0.000 0.292 799 Y C 1.795 177.688 175.900 -0.011 0.000 1.130 799 Y CA 0.796 58.891 58.100 -0.007 0.000 1.179 799 Y CB -0.423 38.010 38.460 -0.044 0.000 0.998 799 Y HN 0.105 nan 8.280 nan 0.000 0.532 800 L N -0.379 120.732 121.223 -0.187 0.000 2.179 800 L HA -0.101 4.250 4.340 0.017 0.000 0.208 800 L C 1.770 178.517 176.870 -0.206 0.000 1.096 800 L CA 0.833 55.521 54.840 -0.253 0.000 0.779 800 L CB -0.204 41.840 42.059 -0.026 0.000 0.922 800 L HN 0.221 nan 8.230 nan 0.000 0.443 801 L N -0.403 120.752 121.223 -0.113 0.000 2.628 801 L HA 0.248 4.598 4.340 0.017 0.000 0.229 801 L C 0.967 177.796 176.870 -0.069 0.000 1.137 801 L CA -0.016 54.780 54.840 -0.073 0.000 0.909 801 L CB -0.350 41.700 42.059 -0.016 0.000 1.137 801 L HN 0.378 nan 8.230 nan 0.000 0.470 802 G N 1.542 110.279 108.800 -0.104 0.000 2.393 802 G HA2 -0.248 3.723 3.960 0.017 0.000 0.299 802 G HA3 -0.248 3.723 3.960 0.017 0.000 0.299 802 G C 0.028 174.955 174.900 0.044 0.000 0.990 802 G CA 0.006 45.075 45.100 -0.053 0.000 1.118 802 G HN 0.139 nan 8.290 nan 0.000 0.513 803 V N 0.774 120.743 119.914 0.091 0.000 2.408 803 V HA 0.635 4.766 4.120 0.017 0.000 0.267 803 V C 1.274 177.469 176.094 0.168 0.000 1.047 803 V CA 0.387 62.790 62.300 0.171 0.000 0.937 803 V CB 1.101 33.076 31.823 0.253 0.000 0.999 803 V HN 0.725 nan 8.190 nan 0.000 0.472 804 G N 2.594 111.498 108.800 0.173 0.000 2.552 804 G HA2 0.545 4.516 3.960 0.017 0.000 0.318 804 G HA3 0.545 4.516 3.960 0.017 0.000 0.318 804 G C 0.067 175.019 174.900 0.088 0.000 1.240 804 G CA 0.024 45.190 45.100 0.110 0.000 1.002 804 G HN 0.749 nan 8.290 nan 0.000 0.493 805 D N -1.793 118.590 120.400 -0.028 0.000 3.091 805 D HA -0.134 4.517 4.640 0.017 0.000 0.216 805 D C 0.357 176.581 176.300 -0.126 0.000 1.129 805 D CA 0.304 54.256 54.000 -0.080 0.000 0.913 805 D CB -0.693 40.061 40.800 -0.076 0.000 1.101 805 D HN 0.341 nan 8.370 nan 0.000 0.426 806 R N 1.353 121.802 120.500 -0.085 0.000 2.490 806 R HA 0.557 4.908 4.340 0.017 0.000 0.280 806 R C 0.993 177.166 176.300 -0.211 0.000 1.077 806 R CA 0.163 56.145 56.100 -0.197 0.000 1.065 806 R CB 0.358 30.642 30.300 -0.027 0.000 1.003 806 R HN 0.603 nan 8.270 nan 0.000 0.470 807 H N -0.548 118.447 119.070 -0.125 0.000 2.933 807 H HA 0.201 4.767 4.556 0.017 0.000 0.310 807 H C 0.300 175.520 175.328 -0.181 0.000 1.351 807 H CA -0.930 55.039 56.048 -0.131 0.000 1.137 807 H CB 0.456 30.154 29.762 -0.107 0.000 1.853 807 H HN 0.107 nan 8.280 nan 0.000 0.539 808 L N 0.521 121.762 121.223 0.030 0.000 2.127 808 L HA -0.138 4.213 4.340 0.017 0.000 0.211 808 L C 1.600 178.408 176.870 -0.104 0.000 1.089 808 L CA 1.361 56.148 54.840 -0.087 0.000 0.757 808 L CB -1.265 40.737 42.059 -0.096 0.000 0.899 808 L HN 0.643 nan 8.230 nan 0.000 0.434 809 D N -0.411 120.008 120.400 0.032 0.000 2.178 809 D HA -0.146 4.504 4.640 0.017 0.000 0.202 809 D C 1.785 177.994 176.300 -0.151 0.000 0.974 809 D CA 0.806 54.797 54.000 -0.014 0.000 0.841 809 D CB 0.129 41.000 40.800 0.119 0.000 0.953 809 D HN 0.330 nan 8.370 nan 0.000 0.478 810 N N -0.204 118.349 118.700 -0.245 0.000 2.290 810 N HA 0.037 4.788 4.740 0.017 0.000 0.179 810 N C 0.469 175.685 175.510 -0.490 0.000 1.016 810 N CA 0.324 53.112 53.050 -0.436 0.000 0.871 810 N CB 0.323 38.435 38.487 -0.624 0.000 0.987 810 N HN 0.103 nan 8.380 nan 0.000 0.431 811 L N 1.361 122.288 121.223 -0.494 0.000 2.379 811 L HA 0.417 4.767 4.340 0.017 0.000 0.269 811 L C -0.059 176.467 176.870 -0.573 0.000 1.084 811 L CA -0.347 54.122 54.840 -0.618 0.000 0.802 811 L CB 1.120 42.854 42.059 -0.542 0.000 1.175 811 L HN -0.003 nan 8.230 nan 0.000 0.448 812 L N 2.089 122.847 121.223 -0.775 0.000 2.283 812 L HA 0.598 4.948 4.340 0.017 0.000 0.259 812 L C -0.912 175.659 176.870 -0.499 0.000 1.027 812 L CA -0.981 53.451 54.840 -0.680 0.000 0.828 812 L CB 2.185 43.711 42.059 -0.889 0.000 1.380 812 L HN 0.262 nan 8.230 nan 0.000 0.425 813 L N 0.036 121.099 121.223 -0.267 0.000 2.303 813 L HA 0.651 5.002 4.340 0.017 0.000 0.266 813 L C 0.094 177.081 176.870 0.196 0.000 1.011 813 L CA -0.017 54.824 54.840 0.001 0.000 0.818 813 L CB 1.977 44.037 42.059 0.003 0.000 1.326 813 L HN 0.709 nan 8.230 nan 0.000 0.435 814 T N -1.451 113.317 114.554 0.357 0.000 2.948 814 T HA 0.367 4.728 4.350 0.017 0.000 0.285 814 T C 1.048 176.000 174.700 0.419 0.000 1.019 814 T CA 0.305 62.610 62.100 0.341 0.000 1.013 814 T CB 1.029 70.045 68.868 0.247 0.000 1.117 814 T HN 0.769 nan 8.240 nan 0.000 0.533 815 T N 0.637 115.335 114.554 0.240 0.000 3.055 815 T HA 0.032 4.393 4.350 0.017 0.000 0.265 815 T C 1.246 175.899 174.700 -0.077 0.000 1.111 815 T CA 0.360 62.510 62.100 0.082 0.000 1.118 815 T CB -0.200 68.556 68.868 -0.187 0.000 0.909 815 T HN 0.573 nan 8.240 nan 0.000 0.501 816 N N 1.380 120.038 118.700 -0.070 0.000 2.398 816 N HA 0.233 4.983 4.740 0.017 0.000 0.188 816 N C 1.576 176.901 175.510 -0.309 0.000 1.122 816 N CA 0.790 53.699 53.050 -0.235 0.000 0.866 816 N CB 0.302 38.735 38.487 -0.089 0.000 0.970 816 N HN 0.685 nan 8.380 nan 0.000 0.462 817 G N 0.113 108.812 108.800 -0.168 0.000 2.201 817 G HA2 -0.229 3.741 3.960 0.017 0.000 0.212 817 G HA3 -0.229 3.741 3.960 0.017 0.000 0.212 817 G C 0.073 175.117 174.900 0.240 0.000 0.994 817 G CA -0.368 44.641 45.100 -0.151 0.000 0.644 817 G HN 0.290 nan 8.290 nan 0.000 0.508 818 K N -0.186 120.363 120.400 0.247 0.000 2.087 818 K HA 0.734 5.064 4.320 0.017 0.000 0.255 818 K C -0.380 176.420 176.600 0.333 0.000 0.988 818 K CA -0.723 55.715 56.287 0.251 0.000 0.915 818 K CB 1.951 34.587 32.500 0.227 0.000 1.043 818 K HN 0.182 nan 8.250 nan 0.000 0.457 819 L N 2.436 123.811 121.223 0.254 0.000 2.331 819 L HA 0.581 4.931 4.340 0.017 0.000 0.275 819 L C -1.144 175.809 176.870 0.138 0.000 1.022 819 L CA -0.267 54.656 54.840 0.139 0.000 0.812 819 L CB 0.766 42.843 42.059 0.029 0.000 1.257 819 L HN 0.627 nan 8.230 nan 0.000 0.435 820 F N -0.289 119.538 119.950 -0.205 0.000 2.691 820 F HA 0.625 5.163 4.527 0.017 0.000 0.334 820 F C -0.274 175.303 175.800 -0.370 0.000 1.107 820 F CA -1.032 56.672 58.000 -0.493 0.000 0.991 820 F CB 0.986 39.931 39.000 -0.092 0.000 1.400 820 F HN 0.419 nan 8.300 nan 0.000 0.503 821 H N 0.034 118.881 119.070 -0.372 0.000 2.669 821 H HA 0.761 5.327 4.556 0.017 0.000 0.318 821 H C -0.858 174.493 175.328 0.038 0.000 1.429 821 H CA -0.811 55.155 56.048 -0.138 0.000 1.460 821 H CB 2.416 32.237 29.762 0.098 0.000 1.784 821 H HN 0.424 nan 8.280 nan 0.000 0.750 822 I N -0.209 120.163 120.570 -0.330 0.000 3.066 822 I HA -0.011 4.169 4.170 0.017 0.000 0.307 822 I C -1.136 174.495 176.117 -0.809 0.000 1.366 822 I CA -0.538 60.520 61.300 -0.404 0.000 0.972 822 I CB 2.308 40.166 38.000 -0.238 0.000 1.307 822 I HN 0.805 nan 8.210 nan 0.000 0.470 823 D N 3.099 123.210 120.400 -0.483 0.000 2.956 823 D HA -0.249 4.402 4.640 0.017 0.000 0.240 823 D C -1.240 174.863 176.300 -0.328 0.000 1.141 823 D CA 0.668 54.502 54.000 -0.276 0.000 0.820 823 D CB -1.177 39.502 40.800 -0.202 0.000 0.988 823 D HN 0.305 nan 8.370 nan 0.000 0.417 824 F N 0.445 120.466 119.950 0.118 0.000 2.605 824 F HA 0.480 5.018 4.527 0.017 0.000 0.352 824 F C 1.933 177.769 175.800 0.059 0.000 1.236 824 F CA -0.048 58.015 58.000 0.105 0.000 1.267 824 F CB 0.604 39.667 39.000 0.105 0.000 1.632 824 F HN 0.259 nan 8.300 nan 0.000 0.639 825 G N 0.274 109.151 108.800 0.129 0.000 2.539 825 G HA2 -0.056 3.915 3.960 0.017 0.000 0.215 825 G HA3 -0.056 3.915 3.960 0.017 0.000 0.215 825 G C -0.113 174.668 174.900 -0.199 0.000 1.141 825 G CA 0.220 45.298 45.100 -0.036 0.000 0.806 825 G HN 0.360 nan 8.290 nan 0.000 0.533 826 Y N -0.223 120.132 120.300 0.092 0.000 2.328 826 Y HA 0.656 5.217 4.550 0.018 0.000 0.337 826 Y C -0.542 175.418 175.900 0.101 0.000 0.966 826 Y CA -1.053 57.096 58.100 0.081 0.000 1.136 826 Y CB 1.796 40.292 38.460 0.061 0.000 1.170 826 Y HN -0.162 nan 8.280 nan 0.000 0.470 827 I N 3.135 123.817 120.570 0.187 0.000 2.769 827 I HA 0.362 4.543 4.170 0.017 0.000 0.298 827 I C -0.408 175.753 176.117 0.073 0.000 1.128 827 I CA -1.252 60.122 61.300 0.123 0.000 1.031 827 I CB 2.065 40.119 38.000 0.090 0.000 1.235 827 I HN 0.587 nan 8.210 nan 0.000 0.423 828 L N 6.038 127.276 121.223 0.024 0.000 3.608 828 L HA -0.242 4.109 4.340 0.017 0.000 0.422 828 L C 1.101 177.974 176.870 0.005 0.000 1.260 828 L CA 0.611 55.433 54.840 -0.030 0.000 0.889 828 L CB -2.206 39.819 42.059 -0.058 0.000 1.821 828 L HN 1.121 nan 8.230 nan 0.000 0.884 829 G N -1.491 107.332 108.800 0.038 0.000 2.184 829 G HA2 -0.309 3.661 3.960 0.017 0.000 0.264 829 G HA3 -0.309 3.661 3.960 0.017 0.000 0.264 829 G C 0.460 175.409 174.900 0.080 0.000 0.975 829 G CA 0.364 45.495 45.100 0.051 0.000 0.642 829 G HN 0.326 nan 8.290 nan 0.000 0.536 830 R N 1.155 121.731 120.500 0.127 0.000 2.522 830 R HA 0.439 4.789 4.340 0.017 0.000 0.284 830 R C -0.307 176.108 176.300 0.192 0.000 1.032 830 R CA 0.102 56.320 56.100 0.196 0.000 1.049 830 R CB 0.487 30.961 30.300 0.290 0.000 0.956 830 R HN 0.453 nan 8.270 nan 0.000 0.422 831 D N 2.678 123.102 120.400 0.041 0.000 2.756 831 D HA 0.261 4.912 4.640 0.017 0.000 0.226 831 D C -1.729 174.404 176.300 -0.279 0.000 1.186 831 D CA -1.840 52.029 54.000 -0.219 0.000 0.845 831 D CB 2.291 43.022 40.800 -0.115 0.000 1.610 831 D HN 0.093 nan 8.370 nan 0.000 0.465 832 P HA -0.113 nan 4.420 nan 0.000 0.215 832 P C 0.159 177.387 177.300 -0.120 0.000 1.157 832 P CA 1.060 64.004 63.100 -0.261 0.000 0.874 832 P CB 0.451 31.980 31.700 -0.285 0.000 0.790 833 K N 0.037 120.363 120.400 -0.124 0.000 2.219 833 K HA 0.087 4.417 4.320 0.017 0.000 0.258 833 K C -1.091 175.487 176.600 -0.038 0.000 1.008 833 K CA -1.217 55.031 56.287 -0.064 0.000 0.928 833 K CB 0.137 32.603 32.500 -0.056 0.000 0.983 833 K HN 0.038 nan 8.250 nan 0.000 0.484 834 P HA -0.103 nan 4.420 nan 0.000 0.217 834 P C -0.000 177.299 177.300 -0.002 0.000 1.151 834 P CA 1.482 64.578 63.100 -0.007 0.000 0.828 834 P CB 0.454 32.152 31.700 -0.004 0.000 0.788 835 M N 0.966 120.565 119.600 -0.003 0.000 2.007 835 M HA 0.327 4.818 4.480 0.017 0.000 0.285 835 M C -2.601 173.704 176.300 0.008 0.000 0.893 835 M CA -1.595 53.708 55.300 0.005 0.000 0.925 835 M CB 1.970 34.575 32.600 0.007 0.000 1.568 835 M HN -0.158 nan 8.290 nan 0.000 0.414 836 P HA 0.370 nan 4.420 nan 0.000 0.271 836 P C -2.752 174.568 177.300 0.032 0.000 1.218 836 P CA -0.783 62.331 63.100 0.024 0.000 0.780 836 P CB -0.376 31.346 31.700 0.037 0.000 0.901 837 P HA 0.170 nan 4.420 nan 0.000 0.275 837 P C -1.700 175.636 177.300 0.059 0.000 1.228 837 P CA -1.338 61.785 63.100 0.039 0.000 0.786 837 P CB -0.288 31.435 31.700 0.039 0.000 0.927 838 P HA -0.027 nan 4.420 nan 0.000 0.219 838 P C 0.248 177.614 177.300 0.110 0.000 1.150 838 P CA 1.437 64.594 63.100 0.095 0.000 0.814 838 P CB 0.300 32.030 31.700 0.050 0.000 0.787 839 M N -0.198 119.432 119.600 0.051 0.000 2.456 839 M HA 0.307 4.797 4.480 0.017 0.000 0.324 839 M C -0.482 175.873 176.300 0.091 0.000 1.124 839 M CA -0.409 54.928 55.300 0.062 0.000 0.959 839 M CB 2.307 34.908 32.600 0.002 0.000 1.692 839 M HN -0.388 nan 8.290 nan 0.000 0.444 840 K N 5.605 126.081 120.400 0.126 0.000 2.354 840 K HA 0.516 4.846 4.320 0.017 0.000 0.257 840 K C -1.583 175.093 176.600 0.126 0.000 1.062 840 K CA -0.114 56.247 56.287 0.124 0.000 0.971 840 K CB 0.170 32.764 32.500 0.157 0.000 1.305 840 K HN 0.622 nan 8.250 nan 0.000 0.449 841 L N 1.325 122.608 121.223 0.100 0.000 2.381 841 L HA 0.246 4.597 4.340 0.017 0.000 0.274 841 L C 0.448 177.350 176.870 0.053 0.000 0.988 841 L CA -0.743 54.150 54.840 0.087 0.000 0.824 841 L CB 1.998 44.136 42.059 0.132 0.000 1.263 841 L HN 0.469 nan 8.230 nan 0.000 0.410 842 S N 2.444 118.156 115.700 0.021 0.000 2.585 842 S HA 0.096 4.576 4.470 0.017 0.000 0.273 842 S C 1.235 175.839 174.600 0.006 0.000 1.339 842 S CA -0.171 58.028 58.200 -0.002 0.000 1.028 842 S CB 0.991 64.170 63.200 -0.035 0.000 0.906 842 S HN 0.781 nan 8.310 nan 0.000 0.528 843 K N 1.718 122.114 120.400 -0.008 0.000 2.127 843 K HA -0.214 4.116 4.320 0.017 0.000 0.208 843 K C 1.403 177.986 176.600 -0.029 0.000 1.047 843 K CA 2.260 58.540 56.287 -0.013 0.000 0.927 843 K CB -0.238 32.244 32.500 -0.030 0.000 0.716 843 K HN 0.774 nan 8.250 nan 0.000 0.450 844 E N -0.006 120.162 120.200 -0.052 0.000 2.216 844 E HA -0.043 4.318 4.350 0.017 0.000 0.192 844 E C 1.848 178.401 176.600 -0.078 0.000 0.988 844 E CA 1.033 57.379 56.400 -0.092 0.000 0.834 844 E CB 0.031 29.662 29.700 -0.115 0.000 0.772 844 E HN 0.348 nan 8.360 nan 0.000 0.479 845 M N -0.321 119.271 119.600 -0.013 0.000 2.288 845 M HA -0.079 4.411 4.480 0.017 0.000 0.266 845 M C 1.840 178.209 176.300 0.115 0.000 1.072 845 M CA 0.782 56.130 55.300 0.081 0.000 1.132 845 M CB 0.214 32.857 32.600 0.071 0.000 1.386 845 M HN 0.009 nan 8.290 nan 0.000 0.432 846 V N 0.292 120.256 119.914 0.082 0.000 2.453 846 V HA -0.185 3.945 4.120 0.017 0.000 0.247 846 V C 1.987 178.132 176.094 0.085 0.000 1.048 846 V CA 1.626 64.012 62.300 0.144 0.000 1.049 846 V CB -0.672 31.235 31.823 0.139 0.000 0.672 846 V HN 0.459 nan 8.190 nan 0.000 0.457 847 E N 0.691 120.876 120.200 -0.025 0.000 2.152 847 E HA -0.113 4.248 4.350 0.017 0.000 0.192 847 E C 2.287 178.723 176.600 -0.273 0.000 0.983 847 E CA 1.109 57.428 56.400 -0.134 0.000 0.818 847 E CB -0.259 29.338 29.700 -0.172 0.000 0.758 847 E HN 0.583 nan 8.360 nan 0.000 0.467 848 A N 0.987 123.682 122.820 -0.209 0.000 2.070 848 A HA -0.117 4.214 4.320 0.017 0.000 0.220 848 A C 1.968 179.571 177.584 0.031 0.000 1.159 848 A CA 1.100 52.984 52.037 -0.256 0.000 0.656 848 A CB -0.344 18.523 19.000 -0.222 0.000 0.800 848 A HN 0.144 nan 8.150 nan 0.000 0.453 849 M N -1.247 118.423 119.600 0.117 0.000 2.431 849 M HA 0.238 4.729 4.480 0.017 0.000 0.237 849 M C 1.074 177.510 176.300 0.227 0.000 1.130 849 M CA 0.663 56.122 55.300 0.265 0.000 1.002 849 M CB 0.437 33.255 32.600 0.364 0.000 1.524 849 M HN 0.537 nan 8.290 nan 0.000 0.482 850 G N 1.144 109.936 108.800 -0.015 0.000 2.182 850 G HA2 -0.020 3.950 3.960 0.017 0.000 0.248 850 G HA3 -0.020 3.950 3.960 0.017 0.000 0.248 850 G C 0.424 175.387 174.900 0.105 0.000 1.042 850 G CA 0.030 45.138 45.100 0.014 0.000 0.775 850 G HN 0.932 nan 8.290 nan 0.000 0.501 851 G N -1.454 107.384 108.800 0.063 0.000 2.796 851 G HA2 0.068 4.038 3.960 0.017 0.000 0.571 851 G HA3 0.068 4.038 3.960 0.017 0.000 0.571 851 G C 0.807 175.713 174.900 0.011 0.000 1.370 851 G CA 0.031 45.153 45.100 0.036 0.000 0.856 851 G HN 1.339 nan 8.290 nan 0.000 0.538 852 I N 0.622 121.125 120.570 -0.112 0.000 2.264 852 I HA 0.068 4.248 4.170 0.017 0.000 0.248 852 I C 1.895 177.835 176.117 -0.295 0.000 1.111 852 I CA 2.658 63.746 61.300 -0.353 0.000 1.382 852 I CB -0.092 37.783 38.000 -0.208 0.000 1.060 852 I HN 0.775 nan 8.210 nan 0.000 0.418 853 S N 0.543 116.198 115.700 -0.074 0.000 2.528 853 S HA 0.622 5.102 4.470 0.017 0.000 0.303 853 S C -0.373 174.288 174.600 0.101 0.000 1.123 853 S CA -0.117 58.088 58.200 0.009 0.000 1.138 853 S CB -0.440 62.763 63.200 0.005 0.000 0.984 853 S HN 0.410 nan 8.310 nan 0.000 0.474 854 S N 2.665 118.474 115.700 0.182 0.000 2.570 854 S HA 0.432 4.912 4.470 0.017 0.000 0.270 854 S C 0.396 175.160 174.600 0.272 0.000 1.149 854 S CA -0.845 57.514 58.200 0.264 0.000 0.837 854 S CB 1.224 64.657 63.200 0.389 0.000 1.124 854 S HN 0.525 nan 8.310 nan 0.000 0.465 855 E N -0.140 120.194 120.200 0.223 0.000 2.153 855 E HA -0.182 4.179 4.350 0.017 0.000 0.194 855 E C 1.194 177.886 176.600 0.152 0.000 0.988 855 E CA 1.250 57.729 56.400 0.132 0.000 0.811 855 E CB -0.135 29.557 29.700 -0.013 0.000 0.746 855 E HN 0.684 nan 8.360 nan 0.000 0.466 856 H N -1.755 117.479 119.070 0.273 0.000 2.436 856 H HA -0.080 4.487 4.556 0.017 0.000 0.294 856 H C 1.924 177.440 175.328 0.313 0.000 1.048 856 H CA 1.454 57.669 56.048 0.279 0.000 1.353 856 H CB -0.008 29.953 29.762 0.333 0.000 1.414 856 H HN 0.349 nan 8.280 nan 0.000 0.536 857 H N -0.158 119.141 119.070 0.381 0.000 2.428 857 H HA -0.097 4.469 4.556 0.017 0.000 0.296 857 H C 2.409 177.906 175.328 0.281 0.000 1.062 857 H CA 1.454 57.715 56.048 0.355 0.000 1.350 857 H CB 0.002 29.933 29.762 0.282 0.000 1.403 857 H HN 0.366 nan 8.280 nan 0.000 0.533 858 H N -0.194 119.034 119.070 0.263 0.000 2.428 858 H HA -0.068 4.498 4.556 0.017 0.000 0.296 858 H C 1.590 176.942 175.328 0.040 0.000 1.062 858 H CA 0.952 57.084 56.048 0.141 0.000 1.350 858 H CB 0.469 30.308 29.762 0.128 0.000 1.403 858 H HN 0.388 nan 8.280 nan 0.000 0.533 859 E N 0.453 120.670 120.200 0.028 0.000 2.150 859 E HA -0.134 4.226 4.350 0.017 0.000 0.193 859 E C 1.980 178.573 176.600 -0.012 0.000 0.985 859 E CA 0.427 56.803 56.400 -0.041 0.000 0.814 859 E CB -0.359 29.362 29.700 0.035 0.000 0.752 859 E HN 0.458 nan 8.360 nan 0.000 0.466 860 F N 1.741 121.607 119.950 -0.140 0.000 2.163 860 F HA -0.012 4.526 4.527 0.017 0.000 0.297 860 F C 2.055 177.662 175.800 -0.323 0.000 1.094 860 F CA 1.205 59.087 58.000 -0.196 0.000 1.290 860 F CB -0.269 38.605 39.000 -0.209 0.000 1.017 860 F HN -0.157 nan 8.300 nan 0.000 0.483 861 R N 0.384 120.471 120.500 -0.687 0.000 2.090 861 R HA -0.091 4.259 4.340 0.017 0.000 0.228 861 R C 2.372 177.949 176.300 -1.204 0.000 1.110 861 R CA 1.132 56.602 56.100 -1.049 0.000 0.973 861 R CB -0.353 29.568 30.300 -0.632 0.000 0.869 861 R HN 0.265 nan 8.270 nan 0.000 0.440 862 K N 0.656 120.662 120.400 -0.657 0.000 2.057 862 K HA -0.216 4.114 4.320 0.017 0.000 0.207 862 K C 2.106 178.517 176.600 -0.316 0.000 1.049 862 K CA 1.422 57.453 56.287 -0.426 0.000 0.931 862 K CB 0.140 32.447 32.500 -0.320 0.000 0.714 862 K HN -0.034 nan 8.250 nan 0.000 0.440 863 Q N 0.122 119.769 119.800 -0.256 0.000 2.123 863 Q HA -0.095 4.256 4.340 0.017 0.000 0.199 863 Q C 1.995 177.940 176.000 -0.092 0.000 0.966 863 Q CA 1.494 57.238 55.803 -0.099 0.000 0.845 863 Q CB -0.173 28.560 28.738 -0.008 0.000 0.907 863 Q HN 0.331 nan 8.270 nan 0.000 0.439 864 C N -0.263 118.893 119.300 -0.240 0.000 2.429 864 C HA -0.131 4.339 4.460 0.017 0.000 0.277 864 C C 2.169 177.179 174.990 0.033 0.000 1.262 864 C CA 0.598 59.526 59.018 -0.150 0.000 1.733 864 C CB -1.039 26.480 27.740 -0.369 0.000 2.010 864 C HN 0.565 nan 8.230 nan 0.000 0.483 865 Y N 1.304 121.627 120.300 0.038 0.000 2.263 865 Y HA -0.108 4.453 4.550 0.017 0.000 0.292 865 Y C 2.892 178.877 175.900 0.143 0.000 1.130 865 Y CA 1.546 59.709 58.100 0.105 0.000 1.179 865 Y CB -1.802 36.690 38.460 0.053 0.000 0.998 865 Y HN 0.478 nan 8.280 nan 0.000 0.532 866 T N -1.986 112.710 114.554 0.237 0.000 2.821 866 T HA -0.099 4.261 4.350 0.017 0.000 0.267 866 T C 2.135 177.040 174.700 0.341 0.000 1.046 866 T CA 1.191 63.443 62.100 0.253 0.000 1.139 866 T CB -0.608 68.369 68.868 0.182 0.000 0.871 866 T HN 0.233 nan 8.240 nan 0.000 0.454 867 A N 0.011 122.969 122.820 0.230 0.000 1.968 867 A HA 0.098 4.428 4.320 0.017 0.000 0.217 867 A C 2.195 179.955 177.584 0.292 0.000 1.169 867 A CA 1.201 53.355 52.037 0.195 0.000 0.638 867 A CB -1.070 17.994 19.000 0.107 0.000 0.812 867 A HN 0.598 nan 8.150 nan 0.000 0.446 868 Y N 0.559 120.948 120.300 0.147 0.000 2.263 868 Y HA -0.025 4.536 4.550 0.017 0.000 0.292 868 Y C 1.809 177.777 175.900 0.113 0.000 1.130 868 Y CA 1.149 59.330 58.100 0.135 0.000 1.179 868 Y CB -0.471 38.078 38.460 0.148 0.000 0.998 868 Y HN 0.217 nan 8.280 nan 0.000 0.532 869 L N -1.049 120.240 121.223 0.110 0.000 2.109 869 L HA -0.215 4.136 4.340 0.017 0.000 0.207 869 L C 2.556 179.369 176.870 -0.096 0.000 1.086 869 L CA 1.150 55.927 54.840 -0.105 0.000 0.760 869 L CB -0.648 41.367 42.059 -0.074 0.000 0.910 869 L HN 0.258 nan 8.230 nan 0.000 0.437 870 H N -0.266 118.825 119.070 0.036 0.000 2.395 870 H HA -0.060 4.507 4.556 0.017 0.000 0.299 870 H C 2.355 177.764 175.328 0.135 0.000 1.070 870 H CA 1.272 57.374 56.048 0.091 0.000 1.356 870 H CB 0.239 30.060 29.762 0.099 0.000 1.401 870 H HN 0.320 nan 8.280 nan 0.000 0.524 871 L N 0.151 121.504 121.223 0.217 0.000 2.109 871 L HA -0.108 4.243 4.340 0.017 0.000 0.207 871 L C 2.741 179.658 176.870 0.080 0.000 1.086 871 L CA 0.676 55.620 54.840 0.173 0.000 0.760 871 L CB -0.189 41.978 42.059 0.181 0.000 0.910 871 L HN 0.103 nan 8.230 nan 0.000 0.437 872 R N -0.235 120.242 120.500 -0.039 0.000 2.105 872 R HA -0.163 4.187 4.340 0.017 0.000 0.239 872 R C 2.383 178.586 176.300 -0.162 0.000 1.135 872 R CA 1.340 57.344 56.100 -0.159 0.000 0.967 872 R CB -0.193 29.906 30.300 -0.334 0.000 0.861 872 R HN 0.293 nan 8.270 nan 0.000 0.442 873 R N -0.821 119.582 120.500 -0.161 0.000 2.148 873 R HA -0.042 4.308 4.340 0.017 0.000 0.223 873 R C 0.851 176.955 176.300 -0.328 0.000 1.088 873 R CA 0.839 56.768 56.100 -0.284 0.000 0.985 873 R CB 0.101 30.203 30.300 -0.331 0.000 0.880 873 R HN 0.355 nan 8.270 nan 0.000 0.451 874 H N -0.890 118.146 119.070 -0.057 0.000 2.503 874 H HA 0.264 4.831 4.556 0.017 0.000 0.296 874 H C 1.061 176.372 175.328 -0.028 0.000 1.097 874 H CA 0.137 56.167 56.048 -0.031 0.000 1.055 874 H CB 0.796 30.559 29.762 0.002 0.000 1.580 874 H HN 0.219 nan 8.280 nan 0.000 0.546 875 A N 1.555 124.378 122.820 0.007 0.000 1.859 875 A HA -0.259 4.071 4.320 0.017 0.000 0.217 875 A C 2.178 179.773 177.584 0.018 0.000 1.198 875 A CA 1.568 53.609 52.037 0.006 0.000 0.629 875 A CB -0.238 18.732 19.000 -0.050 0.000 0.830 875 A HN 0.405 nan 8.150 nan 0.000 0.446 876 N N 0.354 119.047 118.700 -0.012 0.000 2.111 876 N HA -0.200 4.550 4.740 0.017 0.000 0.197 876 N C 1.696 177.196 175.510 -0.017 0.000 1.011 876 N CA 2.036 55.076 53.050 -0.016 0.000 0.880 876 N CB -1.013 37.456 38.487 -0.030 0.000 1.031 876 N HN 0.378 nan 8.380 nan 0.000 0.444 877 V N 1.769 121.678 119.914 -0.008 0.000 2.307 877 V HA -0.193 3.937 4.120 0.017 0.000 0.245 877 V C 2.385 178.449 176.094 -0.051 0.000 1.045 877 V CA 1.621 63.891 62.300 -0.051 0.000 1.024 877 V CB -0.638 31.178 31.823 -0.011 0.000 0.651 877 V HN 0.269 nan 8.190 nan 0.000 0.449 878 M N -0.432 119.178 119.600 0.018 0.000 2.200 878 M HA -0.041 4.449 4.480 0.017 0.000 0.265 878 M C 2.263 178.662 176.300 0.166 0.000 1.066 878 M CA 1.789 57.126 55.300 0.061 0.000 1.127 878 M CB -0.604 32.093 32.600 0.160 0.000 1.379 878 M HN 0.234 nan 8.290 nan 0.000 0.420 879 L N 0.471 121.778 121.223 0.141 0.000 2.141 879 L HA -0.155 4.196 4.340 0.017 0.000 0.209 879 L C 2.190 179.122 176.870 0.103 0.000 1.094 879 L CA 0.803 55.741 54.840 0.164 0.000 0.763 879 L CB -0.733 41.376 42.059 0.084 0.000 0.908 879 L HN 0.401 nan 8.230 nan 0.000 0.437 880 N N 0.026 118.728 118.700 0.004 0.000 2.300 880 N HA -0.051 4.700 4.740 0.017 0.000 0.179 880 N C 1.903 177.358 175.510 -0.091 0.000 1.016 880 N CA 0.955 53.968 53.050 -0.061 0.000 0.876 880 N CB 0.025 38.440 38.487 -0.119 0.000 0.979 880 N HN 0.283 nan 8.380 nan 0.000 0.432 881 L N -0.822 120.314 121.223 -0.145 0.000 2.156 881 L HA -0.003 4.347 4.340 0.017 0.000 0.208 881 L C 1.713 178.441 176.870 -0.236 0.000 1.095 881 L CA 0.698 55.393 54.840 -0.242 0.000 0.770 881 L CB -0.294 41.554 42.059 -0.351 0.000 0.914 881 L HN -0.016 nan 8.230 nan 0.000 0.439 882 F N -0.746 119.180 119.950 -0.039 0.000 2.234 882 F HA -0.115 4.422 4.527 0.018 0.000 0.296 882 F C 2.887 178.680 175.800 -0.011 0.000 1.089 882 F CA 1.281 59.266 58.000 -0.025 0.000 1.343 882 F CB -0.690 38.295 39.000 -0.025 0.000 1.040 882 F HN -0.023 nan 8.300 nan 0.000 0.498 883 S N -0.036 115.755 115.700 0.152 0.000 2.400 883 S HA -0.159 4.322 4.470 0.017 0.000 0.232 883 S C 1.960 176.612 174.600 0.087 0.000 1.025 883 S CA 1.163 59.411 58.200 0.080 0.000 0.993 883 S CB -0.342 62.868 63.200 0.016 0.000 0.808 883 S HN 0.388 nan 8.310 nan 0.000 0.478 884 L N 0.374 121.640 121.223 0.072 0.000 2.529 884 L HA 0.268 4.619 4.340 0.017 0.000 0.223 884 L C 1.163 178.096 176.870 0.104 0.000 1.113 884 L CA 0.241 55.149 54.840 0.113 0.000 0.861 884 L CB -0.006 42.070 42.059 0.028 0.000 1.012 884 L HN 0.336 nan 8.230 nan 0.000 0.461 885 M N -1.063 118.586 119.600 0.081 0.000 2.549 885 M HA 0.083 4.574 4.480 0.017 0.000 0.273 885 M C 1.551 177.920 176.300 0.115 0.000 1.213 885 M CA 0.183 55.526 55.300 0.070 0.000 0.976 885 M CB -0.047 32.580 32.600 0.046 0.000 1.457 885 M HN -0.040 nan 8.290 nan 0.000 0.485 886 V N 0.684 120.684 119.914 0.144 0.000 2.270 886 V HA -0.191 3.939 4.120 0.017 0.000 0.245 886 V C 0.948 177.110 176.094 0.114 0.000 1.043 886 V CA 1.740 64.117 62.300 0.127 0.000 1.014 886 V CB -0.197 31.700 31.823 0.123 0.000 0.645 886 V HN 0.362 nan 8.190 nan 0.000 0.447 887 D N -0.079 120.407 120.400 0.144 0.000 2.538 887 D HA 0.292 4.942 4.640 0.017 0.000 0.234 887 D C 1.382 177.721 176.300 0.065 0.000 1.191 887 D CA 0.633 54.697 54.000 0.108 0.000 0.828 887 D CB 0.407 41.292 40.800 0.142 0.000 0.981 887 D HN 0.383 nan 8.370 nan 0.000 0.490 888 A N -0.046 122.806 122.820 0.055 0.000 2.167 888 A HA -0.018 4.312 4.320 0.017 0.000 0.214 888 A C 1.512 179.101 177.584 0.009 0.000 1.151 888 A CA 1.074 53.125 52.037 0.024 0.000 0.735 888 A CB -0.206 18.808 19.000 0.023 0.000 0.802 888 A HN 0.229 nan 8.150 nan 0.000 0.467 889 T N -1.528 113.038 114.554 0.020 0.000 4.146 889 T HA -0.159 4.201 4.350 0.017 0.000 0.336 889 T C -0.189 174.510 174.700 -0.002 0.000 0.762 889 T CA 0.716 62.822 62.100 0.010 0.000 1.914 889 T CB -2.411 66.464 68.868 0.012 0.000 1.897 889 T HN 0.522 nan 8.240 nan 0.000 0.862 890 V N 3.158 123.075 119.914 0.004 0.000 2.350 890 V HA 0.335 4.465 4.120 0.017 0.000 0.276 890 V C -0.642 175.456 176.094 0.005 0.000 1.028 890 V CA -1.316 60.986 62.300 0.003 0.000 0.860 890 V CB 1.601 33.434 31.823 0.017 0.000 0.990 890 V HN 0.209 nan 8.190 nan 0.000 0.453 891 P HA -0.191 nan 4.420 nan 0.000 0.215 891 P C 0.936 178.229 177.300 -0.012 0.000 1.163 891 P CA 1.440 64.529 63.100 -0.017 0.000 0.894 891 P CB 0.392 32.065 31.700 -0.045 0.000 0.791 892 D N -0.789 119.602 120.400 -0.014 0.000 2.221 892 D HA -0.101 4.550 4.640 0.017 0.000 0.204 892 D C 1.982 178.290 176.300 0.013 0.000 0.982 892 D CA 0.808 54.808 54.000 0.001 0.000 0.857 892 D CB -0.685 40.120 40.800 0.009 0.000 0.934 892 D HN 0.261 nan 8.370 nan 0.000 0.475 893 I N 0.093 120.677 120.570 0.022 0.000 2.852 893 I HA -0.054 4.126 4.170 0.017 0.000 0.264 893 I C 2.163 178.295 176.117 0.026 0.000 1.179 893 I CA 0.304 61.623 61.300 0.031 0.000 1.480 893 I CB 0.118 38.154 38.000 0.059 0.000 1.111 893 I HN -0.080 nan 8.210 nan 0.000 0.441 894 A N 0.373 123.206 122.820 0.020 0.000 2.014 894 A HA -0.094 4.237 4.320 0.017 0.000 0.218 894 A C 2.019 179.614 177.584 0.017 0.000 1.163 894 A CA 1.048 53.097 52.037 0.020 0.000 0.652 894 A CB -0.337 18.671 19.000 0.014 0.000 0.808 894 A HN 0.253 nan 8.150 nan 0.000 0.449 895 L N -0.776 120.455 121.223 0.014 0.000 2.027 895 L HA 0.066 4.417 4.340 0.017 0.000 0.206 895 L C 0.686 177.564 176.870 0.013 0.000 1.074 895 L CA 1.384 56.233 54.840 0.014 0.000 0.745 895 L CB -0.371 41.697 42.059 0.016 0.000 0.898 895 L HN 0.253 nan 8.230 nan 0.000 0.433 896 E N -1.681 118.526 120.200 0.011 0.000 2.373 896 E HA 0.223 4.584 4.350 0.017 0.000 0.251 896 E C -1.927 174.680 176.600 0.011 0.000 0.923 896 E CA -2.190 54.215 56.400 0.009 0.000 0.798 896 E CB 1.684 31.386 29.700 0.003 0.000 1.303 896 E HN -0.129 nan 8.360 nan 0.000 0.412 897 P HA -0.204 nan 4.420 nan 0.000 0.216 897 P C 0.399 177.711 177.300 0.020 0.000 1.167 897 P CA 1.570 64.687 63.100 0.028 0.000 0.914 897 P CB 0.449 32.170 31.700 0.034 0.000 0.793 898 D N -0.554 119.852 120.400 0.010 0.000 2.117 898 D HA -0.117 4.533 4.640 0.017 0.000 0.198 898 D C 1.776 178.069 176.300 -0.011 0.000 0.982 898 D CA 1.172 55.172 54.000 0.001 0.000 0.828 898 D CB -0.757 40.040 40.800 -0.005 0.000 0.967 898 D HN 0.259 nan 8.370 nan 0.000 0.464 899 K N 0.528 120.919 120.400 -0.015 0.000 2.211 899 K HA 0.061 4.392 4.320 0.017 0.000 0.203 899 K C 2.084 178.655 176.600 -0.048 0.000 1.050 899 K CA 0.836 57.107 56.287 -0.027 0.000 0.945 899 K CB -0.056 32.432 32.500 -0.020 0.000 0.732 899 K HN 0.079 nan 8.250 nan 0.000 0.451 900 A N 1.014 123.805 122.820 -0.048 0.000 1.908 900 A HA -0.147 4.184 4.320 0.017 0.000 0.218 900 A C 2.311 179.795 177.584 -0.166 0.000 1.181 900 A CA 1.627 53.609 52.037 -0.092 0.000 0.627 900 A CB -0.595 18.379 19.000 -0.043 0.000 0.818 900 A HN 0.084 nan 8.150 nan 0.000 0.445 901 V N -0.065 119.793 119.914 -0.093 0.000 2.453 901 V HA -0.172 3.959 4.120 0.017 0.000 0.247 901 V C 2.423 178.457 176.094 -0.100 0.000 1.048 901 V CA 2.017 64.264 62.300 -0.088 0.000 1.049 901 V CB -0.660 31.170 31.823 0.011 0.000 0.672 901 V HN 0.570 nan 8.190 nan 0.000 0.457 902 K N 0.394 120.752 120.400 -0.070 0.000 2.148 902 K HA -0.157 4.173 4.320 0.017 0.000 0.204 902 K C 2.221 178.775 176.600 -0.076 0.000 1.050 902 K CA 1.268 57.523 56.287 -0.053 0.000 0.942 902 K CB -0.022 32.454 32.500 -0.041 0.000 0.724 902 K HN 0.384 nan 8.250 nan 0.000 0.446 903 K N 0.044 120.376 120.400 -0.113 0.000 2.103 903 K HA -0.038 4.292 4.320 0.017 0.000 0.204 903 K C 1.868 178.371 176.600 -0.163 0.000 1.052 903 K CA 0.750 56.965 56.287 -0.120 0.000 0.945 903 K CB 0.226 32.653 32.500 -0.123 0.000 0.722 903 K HN -0.045 nan 8.250 nan 0.000 0.443 904 V N 1.133 120.903 119.914 -0.240 0.000 2.667 904 V HA -0.167 3.963 4.120 0.017 0.000 0.252 904 V C 2.041 178.048 176.094 -0.144 0.000 1.065 904 V CA 1.516 63.650 62.300 -0.276 0.000 1.083 904 V CB -0.214 31.312 31.823 -0.494 0.000 0.692 904 V HN 0.344 nan 8.190 nan 0.000 0.468 905 E N -0.270 119.874 120.200 -0.094 0.000 2.152 905 E HA -0.186 4.174 4.350 0.017 0.000 0.192 905 E C 2.281 178.876 176.600 -0.007 0.000 0.983 905 E CA 0.647 57.035 56.400 -0.020 0.000 0.818 905 E CB 0.093 29.805 29.700 0.020 0.000 0.758 905 E HN 0.474 nan 8.360 nan 0.000 0.467 906 E N 0.562 120.745 120.200 -0.029 0.000 2.112 906 E HA -0.115 4.245 4.350 0.017 0.000 0.190 906 E C 1.600 178.196 176.600 -0.006 0.000 0.979 906 E CA 0.545 56.942 56.400 -0.005 0.000 0.814 906 E CB 0.030 29.724 29.700 -0.011 0.000 0.762 906 E HN 0.171 nan 8.360 nan 0.000 0.460 907 N N 0.573 119.231 118.700 -0.070 0.000 2.331 907 N HA -0.053 4.697 4.740 0.017 0.000 0.180 907 N C 1.802 177.315 175.510 0.006 0.000 1.019 907 N CA 0.334 53.298 53.050 -0.143 0.000 0.881 907 N CB -0.122 38.137 38.487 -0.381 0.000 0.972 907 N HN 0.184 nan 8.380 nan 0.000 0.435 908 L N -0.329 120.914 121.223 0.033 0.000 2.240 908 L HA -0.051 4.299 4.340 0.017 0.000 0.211 908 L C 0.287 177.207 176.870 0.083 0.000 1.106 908 L CA 0.472 55.380 54.840 0.112 0.000 0.793 908 L CB 0.105 42.185 42.059 0.035 0.000 0.927 908 L HN 0.153 nan 8.230 nan 0.000 0.446 909 Q N -0.750 119.070 119.800 0.032 0.000 2.479 909 Q HA -0.213 4.137 4.340 0.017 0.000 0.282 909 Q C 0.694 176.663 176.000 -0.051 0.000 1.279 909 Q CA 0.348 56.138 55.803 -0.022 0.000 0.815 909 Q CB -1.861 26.822 28.738 -0.092 0.000 1.204 909 Q HN 0.452 nan 8.270 nan 0.000 0.444 910 L N -2.126 119.083 121.223 -0.024 0.000 2.265 910 L HA -0.067 4.283 4.340 0.017 0.000 0.215 910 L C 2.134 179.001 176.870 -0.005 0.000 1.117 910 L CA 1.260 56.069 54.840 -0.051 0.000 0.782 910 L CB -0.386 41.644 42.059 -0.048 0.000 0.914 910 L HN 0.548 nan 8.230 nan 0.000 0.441 911 G N 0.456 109.285 108.800 0.049 0.000 2.421 911 G HA2 -0.122 3.849 3.960 0.017 0.000 0.216 911 G HA3 -0.122 3.849 3.960 0.017 0.000 0.216 911 G C 0.956 175.882 174.900 0.044 0.000 1.171 911 G CA 0.076 45.223 45.100 0.077 0.000 0.775 911 G HN 0.115 nan 8.290 nan 0.000 0.543 912 L N 1.528 122.757 121.223 0.009 0.000 2.483 912 L HA 0.175 4.526 4.340 0.017 0.000 0.276 912 L C 1.421 178.283 176.870 -0.013 0.000 1.213 912 L CA -0.246 54.593 54.840 -0.000 0.000 0.843 912 L CB 0.423 42.472 42.059 -0.016 0.000 1.107 912 L HN 0.215 nan 8.230 nan 0.000 0.487 913 T N -0.988 113.566 114.554 -0.001 0.000 2.856 913 T HA -0.010 4.351 4.350 0.017 0.000 0.306 913 T C 0.887 175.561 174.700 -0.043 0.000 1.062 913 T CA -0.171 61.924 62.100 -0.009 0.000 1.083 913 T CB 0.616 69.485 68.868 0.002 0.000 0.984 913 T HN 0.642 nan 8.240 nan 0.000 0.542 914 D N 1.467 121.832 120.400 -0.058 0.000 2.158 914 D HA -0.089 4.561 4.640 0.017 0.000 0.197 914 D C 1.894 178.156 176.300 -0.064 0.000 0.995 914 D CA 1.484 55.433 54.000 -0.084 0.000 0.846 914 D CB -0.069 40.683 40.800 -0.079 0.000 0.941 914 D HN 0.691 nan 8.370 nan 0.000 0.456 915 E N 0.374 120.550 120.200 -0.041 0.000 2.158 915 E HA -0.055 4.306 4.350 0.017 0.000 0.191 915 E C 1.747 178.329 176.600 -0.031 0.000 0.982 915 E CA 0.620 56.998 56.400 -0.036 0.000 0.823 915 E CB -0.076 29.611 29.700 -0.022 0.000 0.766 915 E HN 0.395 nan 8.360 nan 0.000 0.468 916 E N 0.118 120.308 120.200 -0.016 0.000 2.158 916 E HA -0.022 4.338 4.350 0.017 0.000 0.191 916 E C 1.900 178.522 176.600 0.036 0.000 0.982 916 E CA 0.776 57.183 56.400 0.011 0.000 0.823 916 E CB -0.007 29.702 29.700 0.016 0.000 0.766 916 E HN 0.243 nan 8.360 nan 0.000 0.468 917 A N 0.789 123.605 122.820 -0.006 0.000 1.930 917 A HA -0.068 4.262 4.320 0.017 0.000 0.215 917 A C 2.400 180.052 177.584 0.113 0.000 1.176 917 A CA 0.675 52.714 52.037 0.003 0.000 0.632 917 A CB -0.320 18.574 19.000 -0.177 0.000 0.819 917 A HN 0.089 nan 8.150 nan 0.000 0.445 918 V N -0.095 119.820 119.914 0.002 0.000 2.515 918 V HA -0.261 3.869 4.120 0.017 0.000 0.250 918 V C 2.547 178.535 176.094 -0.178 0.000 1.058 918 V CA 2.100 64.340 62.300 -0.101 0.000 1.064 918 V CB -0.757 30.935 31.823 -0.219 0.000 0.675 918 V HN 0.621 nan 8.190 nan 0.000 0.461 919 Q N -0.794 118.960 119.800 -0.076 0.000 2.172 919 Q HA -0.206 4.145 4.340 0.017 0.000 0.200 919 Q C 2.145 178.147 176.000 0.004 0.000 0.964 919 Q CA 1.800 57.561 55.803 -0.069 0.000 0.855 919 Q CB -0.182 28.541 28.738 -0.025 0.000 0.918 919 Q HN 0.900 nan 8.270 nan 0.000 0.444 920 H N -0.156 118.900 119.070 -0.023 0.000 2.363 920 H HA -0.090 4.477 4.556 0.017 0.000 0.301 920 H C 1.974 177.288 175.328 -0.023 0.000 1.074 920 H CA 1.075 57.130 56.048 0.012 0.000 1.354 920 H CB 0.098 29.908 29.762 0.080 0.000 1.397 920 H HN 0.186 nan 8.280 nan 0.000 0.516 921 L N 0.831 122.232 121.223 0.298 0.000 2.093 921 L HA -0.128 4.222 4.340 0.017 0.000 0.208 921 L C 2.646 179.501 176.870 -0.024 0.000 1.085 921 L CA 1.891 56.794 54.840 0.106 0.000 0.755 921 L CB -0.730 41.392 42.059 0.106 0.000 0.904 921 L HN 0.505 nan 8.230 nan 0.000 0.435 922 Q N -1.274 118.499 119.800 -0.044 0.000 2.124 922 Q HA -0.238 4.113 4.340 0.017 0.000 0.202 922 Q C 2.282 178.262 176.000 -0.033 0.000 0.977 922 Q CA 1.921 57.713 55.803 -0.018 0.000 0.850 922 Q CB -0.185 28.468 28.738 -0.142 0.000 0.901 922 Q HN 0.601 nan 8.270 nan 0.000 0.429 923 S N -0.227 115.421 115.700 -0.087 0.000 2.383 923 S HA -0.062 4.418 4.470 0.017 0.000 0.227 923 S C 1.916 176.444 174.600 -0.119 0.000 1.026 923 S CA 0.764 58.903 58.200 -0.102 0.000 0.981 923 S CB -0.172 62.942 63.200 -0.144 0.000 0.818 923 S HN 0.487 nan 8.310 nan 0.000 0.472 924 L N 0.634 121.749 121.223 -0.181 0.000 2.072 924 L HA 0.016 4.366 4.340 0.017 0.000 0.205 924 L C 2.497 179.299 176.870 -0.112 0.000 1.079 924 L CA 0.896 55.628 54.840 -0.180 0.000 0.752 924 L CB -0.581 41.299 42.059 -0.298 0.000 0.906 924 L HN 0.322 nan 8.230 nan 0.000 0.436 925 L N -0.326 120.838 121.223 -0.099 0.000 2.046 925 L HA -0.244 4.106 4.340 0.017 0.000 0.208 925 L C 2.272 179.143 176.870 0.002 0.000 1.077 925 L CA 1.163 55.973 54.840 -0.050 0.000 0.747 925 L CB -0.463 41.559 42.059 -0.062 0.000 0.896 925 L HN 0.270 nan 8.230 nan 0.000 0.432 926 D N -0.586 119.817 120.400 0.004 0.000 2.144 926 D HA -0.121 4.529 4.640 0.017 0.000 0.200 926 D C 2.196 178.505 176.300 0.016 0.000 0.978 926 D CA 1.475 55.492 54.000 0.028 0.000 0.833 926 D CB 0.114 40.931 40.800 0.027 0.000 0.961 926 D HN 0.220 nan 8.370 nan 0.000 0.470 927 V N -0.512 119.399 119.914 -0.005 0.000 2.548 927 V HA -0.117 4.014 4.120 0.017 0.000 0.249 927 V C 2.333 178.430 176.094 0.006 0.000 1.055 927 V CA 1.358 63.656 62.300 -0.003 0.000 1.065 927 V CB -0.741 31.073 31.823 -0.015 0.000 0.681 927 V HN -0.004 nan 8.190 nan 0.000 0.462 928 S N 0.519 116.226 115.700 0.011 0.000 2.395 928 S HA 0.142 4.622 4.470 0.017 0.000 0.225 928 S C 1.908 176.532 174.600 0.040 0.000 1.027 928 S CA 1.416 59.631 58.200 0.025 0.000 0.965 928 S CB -0.267 62.952 63.200 0.032 0.000 0.812 928 S HN 0.544 nan 8.310 nan 0.000 0.482 929 I N 2.053 122.656 120.570 0.055 0.000 2.500 929 I HA -0.115 4.066 4.170 0.017 0.000 0.252 929 I C 2.442 178.582 176.117 0.039 0.000 1.142 929 I CA 1.236 62.583 61.300 0.078 0.000 1.451 929 I CB -0.802 37.279 38.000 0.135 0.000 1.093 929 I HN 0.382 nan 8.210 nan 0.000 0.430 930 T N -0.098 114.468 114.554 0.019 0.000 2.904 930 T HA -0.018 4.342 4.350 0.017 0.000 0.267 930 T C 2.023 176.710 174.700 -0.023 0.000 1.059 930 T CA 0.959 63.053 62.100 -0.009 0.000 1.137 930 T CB -0.333 68.527 68.868 -0.012 0.000 0.879 930 T HN 0.351 nan 8.240 nan 0.000 0.467 931 A N 0.892 123.707 122.820 -0.008 0.000 1.968 931 A HA 0.165 4.495 4.320 0.017 0.000 0.217 931 A C 2.526 180.102 177.584 -0.013 0.000 1.169 931 A CA 0.839 52.868 52.037 -0.014 0.000 0.638 931 A CB -0.818 18.182 19.000 -0.000 0.000 0.812 931 A HN 0.373 nan 8.150 nan 0.000 0.446 932 V N 0.162 120.076 119.914 0.000 0.000 2.407 932 V HA -0.042 4.089 4.120 0.017 0.000 0.245 932 V C 0.940 177.028 176.094 -0.011 0.000 1.041 932 V CA 0.851 63.153 62.300 0.003 0.000 1.040 932 V CB -0.447 31.392 31.823 0.026 0.000 0.671 932 V HN 0.452 nan 8.190 nan 0.000 0.455 933 M N 0.986 120.576 119.600 -0.016 0.000 2.216 933 M HA 0.270 4.760 4.480 0.017 0.000 0.356 933 M C -1.434 174.835 176.300 -0.053 0.000 1.205 933 M CA -2.768 52.514 55.300 -0.031 0.000 1.122 933 M CB 0.401 32.984 32.600 -0.028 0.000 1.571 933 M HN -0.030 nan 8.290 nan 0.000 0.464 934 P HA 0.019 nan 4.420 nan 0.000 0.217 934 P C 1.081 178.331 177.300 -0.084 0.000 1.154 934 P CA 1.307 64.368 63.100 -0.064 0.000 0.841 934 P CB 0.019 31.691 31.700 -0.047 0.000 0.790 935 A N 0.357 123.132 122.820 -0.074 0.000 1.978 935 A HA -0.142 4.188 4.320 0.017 0.000 0.220 935 A C 2.360 179.872 177.584 -0.120 0.000 1.170 935 A CA 1.414 53.401 52.037 -0.084 0.000 0.636 935 A CB -1.615 17.346 19.000 -0.065 0.000 0.810 935 A HN 0.134 nan 8.150 nan 0.000 0.448 936 L N -1.203 119.951 121.223 -0.116 0.000 2.179 936 L HA -0.060 4.290 4.340 0.017 0.000 0.208 936 L C 2.416 179.168 176.870 -0.196 0.000 1.096 936 L CA 0.656 55.414 54.840 -0.136 0.000 0.779 936 L CB -0.339 41.667 42.059 -0.087 0.000 0.922 936 L HN 0.270 nan 8.230 nan 0.000 0.443 937 V N 0.713 120.504 119.914 -0.205 0.000 2.591 937 V HA -0.199 3.932 4.120 0.017 0.000 0.249 937 V C 2.472 178.271 176.094 -0.492 0.000 1.053 937 V CA 1.747 63.853 62.300 -0.324 0.000 1.068 937 V CB -0.191 31.482 31.823 -0.249 0.000 0.689 937 V HN 0.598 nan 8.190 nan 0.000 0.462 938 E N -0.165 119.861 120.200 -0.289 0.000 2.158 938 E HA -0.285 4.075 4.350 0.017 0.000 0.191 938 E C 2.103 178.580 176.600 -0.205 0.000 0.982 938 E CA 1.149 57.441 56.400 -0.181 0.000 0.823 938 E CB -0.350 29.310 29.700 -0.067 0.000 0.766 938 E HN 0.693 nan 8.360 nan 0.000 0.468 939 Q N 0.955 120.580 119.800 -0.292 0.000 2.119 939 Q HA -0.110 4.241 4.340 0.017 0.000 0.201 939 Q C 2.265 177.845 176.000 -0.701 0.000 0.972 939 Q CA 1.110 56.635 55.803 -0.463 0.000 0.847 939 Q CB -0.001 28.465 28.738 -0.453 0.000 0.903 939 Q HN 0.380 nan 8.270 nan 0.000 0.433 940 I N 0.496 120.772 120.570 -0.490 0.000 2.315 940 I HA -0.255 3.926 4.170 0.017 0.000 0.248 940 I C 1.964 178.033 176.117 -0.080 0.000 1.117 940 I CA 0.962 62.074 61.300 -0.315 0.000 1.404 940 I CB -0.385 37.511 38.000 -0.173 0.000 1.071 940 I HN 0.382 nan 8.210 nan 0.000 0.419 941 H N 0.853 119.867 119.070 -0.094 0.000 2.387 941 H HA -0.056 4.510 4.556 0.017 0.000 0.299 941 H C 2.268 177.606 175.328 0.018 0.000 1.090 941 H CA 1.061 57.099 56.048 -0.016 0.000 1.332 941 H CB -0.184 29.565 29.762 -0.022 0.000 1.386 941 H HN 0.267 nan 8.280 nan 0.000 0.516 942 R N -0.317 120.225 120.500 0.071 0.000 2.115 942 R HA -0.051 4.299 4.340 0.017 0.000 0.230 942 R C 2.219 178.690 176.300 0.285 0.000 1.111 942 R CA 0.784 56.943 56.100 0.100 0.000 0.976 942 R CB -0.266 30.032 30.300 -0.004 0.000 0.870 942 R HN 0.358 nan 8.270 nan 0.000 0.445 943 F N -0.267 119.764 119.950 0.135 0.000 2.293 943 F HA -0.091 4.446 4.527 0.017 0.000 0.297 943 F C 2.447 178.404 175.800 0.262 0.000 1.089 943 F CA 0.399 58.490 58.000 0.152 0.000 1.377 943 F CB -0.016 39.041 39.000 0.096 0.000 1.051 943 F HN -0.010 nan 8.300 nan 0.000 0.511 944 T N -0.670 114.128 114.554 0.407 0.000 2.867 944 T HA -0.224 4.137 4.350 0.017 0.000 0.268 944 T C 1.722 176.612 174.700 0.318 0.000 1.057 944 T CA 1.237 63.533 62.100 0.326 0.000 1.136 944 T CB -0.164 68.845 68.868 0.235 0.000 0.874 944 T HN 0.129 nan 8.240 nan 0.000 0.466 945 Q N -0.553 119.414 119.800 0.279 0.000 2.245 945 Q HA 0.068 4.418 4.340 0.017 0.000 0.201 945 Q C 1.651 177.771 176.000 0.200 0.000 0.955 945 Q CA 0.736 56.656 55.803 0.195 0.000 0.870 945 Q CB -0.259 28.569 28.738 0.150 0.000 0.945 945 Q HN 0.708 nan 8.270 nan 0.000 0.461 946 Y N -1.458 118.920 120.300 0.131 0.000 2.274 946 Y HA -0.214 4.346 4.550 0.017 0.000 0.290 946 Y C 0.552 176.340 175.900 -0.187 0.000 1.145 946 Y CA 1.456 59.537 58.100 -0.033 0.000 1.203 946 Y CB -0.026 38.396 38.460 -0.064 0.000 0.984 946 Y HN 0.180 nan 8.280 nan 0.000 0.533 947 W N 1.703 123.068 121.300 0.108 0.000 3.345 947 W HA 0.188 4.858 4.660 0.017 0.000 0.282 947 W C 0.874 177.376 176.519 -0.028 0.000 1.302 947 W CA 0.486 57.835 57.345 0.006 0.000 1.724 947 W CB 0.024 29.540 29.460 0.093 0.000 1.104 947 W HN -0.129 nan 8.180 nan 0.000 0.694 948 R N 0.000 120.563 120.500 0.106 0.000 2.786 948 R HA 0.000 4.350 4.340 0.017 0.000 0.208 948 R CA 0.000 56.137 56.100 0.062 0.000 0.921 948 R CB 0.000 30.303 30.300 0.005 0.000 0.687 948 R HN 0.000 nan 8.270 nan 0.000 0.535