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 3h73_1_B DATA FIRST_RESID 317 DATA SEQUENCE LPEGAALTEK TDIFESGRNG KPNKDGIKSY RIPALLKTDK GTLIAGADER DATA SEQUENCE RLHSSDWGDI GMVIRRSEDN GKTWGDRVTI TNLRDNPKAS DPSIGSPVNI DATA SEQUENCE DMVLVQDPET KRIFSIYDMF PEGKGIFGMS SQKEEAYKKI DGKTYQILYR DATA SEQUENCE EGEKGAYTIR ENGTVYTPDG KATDYRVVVD PVKPAYSDKG DLYKGNQLLG DATA SEQUENCE NIYFTTNKTS PFRIAKDSYL WMSYSDDDGK TWSAPQDITP MVKADWMKFL DATA SEQUENCE GVGPGTGIVL RNGPHKGRIL IPVYTTNNVS HLNGSQSSRI IYSDDHGKTW DATA SEQUENCE HAGEAVNDNR QVDGQKIHSS TMNNRRAQNT ESTVVQLNNG DVKLFMRGLT DATA SEQUENCE GDLQVATSKD GGVTWEKDIK RYPQVKDVYV QMSAIHTMHE GKEYIILSNA DATA SEQUENCE GGPKRENGMV HLARVEENGE LTWLKHNPIQ KGEFAYNSLQ ELGNGEYGIL DATA SEQUENCE YEHTEKGQNA YTLSFRKFNW DFLSKDL 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 317 L HA 0.000 nan 4.340 nan 0.000 0.249 317 L C 0.000 176.890 176.870 0.034 0.000 1.165 317 L CA 0.000 54.865 54.840 0.041 0.000 0.813 317 L CB 0.000 42.078 42.059 0.031 0.000 0.961 318 P HA 0.142 nan 4.420 nan 0.000 0.268 318 P C -0.321 177.000 177.300 0.035 0.000 1.208 318 P CA -0.110 63.001 63.100 0.019 0.000 0.777 318 P CB 0.907 32.605 31.700 -0.004 0.000 0.875 319 E N 0.566 120.784 120.200 0.030 0.000 2.414 319 E HA 0.246 4.597 4.350 0.001 0.000 0.263 319 E C 1.472 178.103 176.600 0.051 0.000 1.000 319 E CA 0.964 57.386 56.400 0.038 0.000 0.914 319 E CB 0.023 29.742 29.700 0.032 0.000 0.948 319 E HN 0.821 nan 8.360 nan 0.000 0.444 320 G N 1.995 110.832 108.800 0.061 0.000 2.299 320 G HA2 -0.303 3.657 3.960 0.001 0.000 0.237 320 G HA3 -0.303 3.657 3.960 0.001 0.000 0.237 320 G C 0.525 175.487 174.900 0.102 0.000 1.027 320 G CA 0.104 45.252 45.100 0.080 0.000 0.619 320 G HN 0.850 nan 8.290 nan 0.000 0.513 321 A N 0.373 123.256 122.820 0.104 0.000 2.425 321 A HA 0.864 5.185 4.320 0.001 0.000 0.249 321 A C 0.526 178.193 177.584 0.139 0.000 1.084 321 A CA 1.284 53.414 52.037 0.155 0.000 0.781 321 A CB 0.734 19.837 19.000 0.171 0.000 1.019 321 A HN 2.223 nan 8.150 nan 0.000 0.490 322 A N 1.349 124.260 122.820 0.151 0.000 2.422 322 A HA 0.683 5.003 4.320 0.001 0.000 0.302 322 A C -1.284 176.263 177.584 -0.061 0.000 1.041 322 A CA -0.376 51.695 52.037 0.056 0.000 0.708 322 A CB 1.344 20.384 19.000 0.067 0.000 1.257 322 A HN 1.775 nan 8.150 nan 0.000 0.414 323 L N 2.514 123.639 121.223 -0.163 0.000 2.555 323 L HA 0.500 4.841 4.340 0.001 0.000 0.264 323 L C 0.437 177.211 176.870 -0.160 0.000 0.972 323 L CA 0.254 54.899 54.840 -0.326 0.000 0.876 323 L CB 1.547 43.167 42.059 -0.731 0.000 1.216 323 L HN 0.991 nan 8.230 nan 0.000 0.415 324 T N 0.382 114.885 114.554 -0.084 0.000 2.791 324 T HA 0.206 4.557 4.350 0.001 0.000 0.323 324 T C 0.351 175.037 174.700 -0.023 0.000 1.082 324 T CA -0.195 61.893 62.100 -0.019 0.000 1.084 324 T CB 0.559 69.450 68.868 0.038 0.000 0.992 324 T HN 0.746 nan 8.240 nan 0.000 0.547 325 E N 0.236 120.446 120.200 0.016 0.000 2.374 325 E HA 0.186 4.537 4.350 0.001 0.000 0.260 325 E C 0.098 176.732 176.600 0.057 0.000 1.101 325 E CA -0.745 55.670 56.400 0.025 0.000 0.907 325 E CB 0.582 30.302 29.700 0.034 0.000 1.014 325 E HN 0.664 nan 8.360 nan 0.000 0.427 326 K N 1.697 122.136 120.400 0.065 0.000 2.453 326 K HA 0.000 4.321 4.320 0.001 0.000 0.280 326 K C -1.147 175.502 176.600 0.082 0.000 1.045 326 K CA 0.549 56.892 56.287 0.093 0.000 1.059 326 K CB 0.208 32.772 32.500 0.108 0.000 0.901 326 K HN 0.372 nan 8.250 nan 0.000 0.475 327 T N 4.993 119.605 114.554 0.096 0.000 2.791 327 T HA 0.154 4.504 4.350 0.001 0.000 0.288 327 T C -1.199 173.489 174.700 -0.020 0.000 0.999 327 T CA -0.882 61.274 62.100 0.092 0.000 0.952 327 T CB 0.813 69.820 68.868 0.231 0.000 0.938 327 T HN 0.504 nan 8.240 nan 0.000 0.444 328 D N 3.424 123.783 120.400 -0.067 0.000 2.348 328 D HA 0.178 4.819 4.640 0.001 0.000 0.253 328 D C 0.932 177.046 176.300 -0.310 0.000 1.161 328 D CA -0.513 53.394 54.000 -0.155 0.000 0.876 328 D CB 1.134 41.881 40.800 -0.088 0.000 1.160 328 D HN 0.249 nan 8.370 nan 0.000 0.459 329 I N 0.697 120.974 120.570 -0.488 0.000 2.810 329 I HA 0.071 4.241 4.170 0.001 0.000 0.262 329 I C 0.578 176.112 176.117 -0.970 0.000 1.131 329 I CA 0.559 61.327 61.300 -0.888 0.000 1.453 329 I CB -0.333 36.939 38.000 -1.212 0.000 1.161 329 I HN 0.131 nan 8.210 nan 0.000 0.444 330 F N 2.167 121.826 119.950 -0.484 0.000 2.500 330 F HA 0.383 4.911 4.527 0.002 0.000 0.349 330 F C 0.277 175.813 175.800 -0.439 0.000 1.127 330 F CA -0.899 56.665 58.000 -0.727 0.000 0.998 330 F CB 0.873 39.234 39.000 -1.065 0.000 1.237 330 F HN -0.080 nan 8.300 nan 0.000 0.439 331 E N 2.060 122.192 120.200 -0.113 0.000 2.167 331 E HA 0.366 4.717 4.350 0.001 0.000 0.284 331 E C -0.145 176.598 176.600 0.239 0.000 1.016 331 E CA -0.540 55.892 56.400 0.053 0.000 0.817 331 E CB 1.150 30.861 29.700 0.020 0.000 1.080 331 E HN 0.560 nan 8.360 nan 0.000 0.397 332 S N 1.913 117.738 115.700 0.209 0.000 2.645 332 S HA 0.493 4.963 4.470 0.001 0.000 0.266 332 S C 0.752 175.393 174.600 0.068 0.000 1.258 332 S CA -0.673 57.628 58.200 0.167 0.000 0.990 332 S CB 1.354 64.607 63.200 0.088 0.000 0.967 332 S HN 0.517 nan 8.310 nan 0.000 0.556 333 G N -0.030 108.779 108.800 0.015 0.000 2.611 333 G HA2 0.494 4.455 3.960 0.001 0.000 0.273 333 G HA3 0.494 4.455 3.960 0.001 0.000 0.273 333 G C -0.485 174.403 174.900 -0.020 0.000 1.305 333 G CA -0.946 44.151 45.100 -0.005 0.000 1.010 333 G HN 0.759 nan 8.290 nan 0.000 0.509 334 R N -0.538 119.948 120.500 -0.023 0.000 2.750 334 R HA 0.288 4.629 4.340 0.001 0.000 0.281 334 R C -0.333 175.946 176.300 -0.035 0.000 0.972 334 R CA -0.884 55.197 56.100 -0.030 0.000 0.912 334 R CB 1.383 31.671 30.300 -0.019 0.000 1.187 334 R HN 0.619 nan 8.270 nan 0.000 0.464 335 N N 0.870 119.545 118.700 -0.043 0.000 2.721 335 N HA -0.215 4.525 4.740 0.001 0.000 0.249 335 N C 0.534 176.017 175.510 -0.044 0.000 1.072 335 N CA 1.423 54.448 53.050 -0.041 0.000 0.710 335 N CB -0.938 37.530 38.487 -0.030 0.000 0.993 335 N HN 1.130 nan 8.380 nan 0.000 0.547 336 G N -1.263 107.505 108.800 -0.054 0.000 2.162 336 G HA2 -0.358 3.603 3.960 0.001 0.000 0.260 336 G HA3 -0.358 3.603 3.960 0.001 0.000 0.260 336 G C 0.048 174.921 174.900 -0.045 0.000 0.976 336 G CA 1.019 46.086 45.100 -0.054 0.000 0.655 336 G HN 0.560 nan 8.290 nan 0.000 0.533 337 K N 0.444 120.820 120.400 -0.040 0.000 2.123 337 K HA 0.564 4.885 4.320 0.001 0.000 0.248 337 K C -2.574 174.004 176.600 -0.036 0.000 0.969 337 K CA -2.216 54.050 56.287 -0.034 0.000 0.882 337 K CB 1.602 34.087 32.500 -0.025 0.000 1.080 337 K HN -0.030 nan 8.250 nan 0.000 0.441 338 P HA -0.013 nan 4.420 nan 0.000 0.274 338 P C -0.895 176.395 177.300 -0.017 0.000 1.237 338 P CA -0.371 62.706 63.100 -0.038 0.000 0.793 338 P CB 0.438 32.115 31.700 -0.038 0.000 0.977 339 N N 0.803 119.500 118.700 -0.005 0.000 2.374 339 N HA 0.099 4.840 4.740 0.001 0.000 0.284 339 N C 1.035 176.558 175.510 0.022 0.000 1.280 339 N CA -0.762 52.301 53.050 0.022 0.000 0.963 339 N CB 0.510 39.035 38.487 0.065 0.000 1.141 339 N HN 0.293 nan 8.380 nan 0.000 0.565 340 K N -1.082 119.337 120.400 0.031 0.000 2.281 340 K HA -0.130 4.191 4.320 0.001 0.000 0.203 340 K C 0.032 176.649 176.600 0.028 0.000 1.046 340 K CA 1.560 57.862 56.287 0.025 0.000 0.938 340 K CB -0.070 32.445 32.500 0.026 0.000 0.737 340 K HN 0.454 nan 8.250 nan 0.000 0.458 341 D N 0.205 120.631 120.400 0.042 0.000 2.349 341 D HA 0.082 4.723 4.640 0.001 0.000 0.214 341 D C 0.772 177.083 176.300 0.019 0.000 1.063 341 D CA 0.805 54.830 54.000 0.043 0.000 0.847 341 D CB 0.833 41.681 40.800 0.081 0.000 0.933 341 D HN 0.521 nan 8.370 nan 0.000 0.513 342 G N 1.174 109.977 108.800 0.004 0.000 2.136 342 G HA2 -0.232 3.729 3.960 0.001 0.000 0.242 342 G HA3 -0.232 3.729 3.960 0.001 0.000 0.242 342 G C 0.111 174.981 174.900 -0.052 0.000 0.989 342 G CA -0.313 44.775 45.100 -0.020 0.000 0.682 342 G HN 0.234 nan 8.290 nan 0.000 0.522 343 I N 0.227 120.763 120.570 -0.057 0.000 2.377 343 I HA 0.347 4.518 4.170 0.001 0.000 0.293 343 I C 1.206 177.234 176.117 -0.147 0.000 0.987 343 I CA -0.709 60.503 61.300 -0.147 0.000 1.185 343 I CB 1.406 39.278 38.000 -0.215 0.000 1.341 343 I HN 0.016 nan 8.210 nan 0.000 0.455 344 K N 2.515 122.802 120.400 -0.189 0.000 2.098 344 K HA 0.039 4.359 4.320 0.001 0.000 0.203 344 K C 0.741 177.239 176.600 -0.169 0.000 1.051 344 K CA 0.728 56.925 56.287 -0.149 0.000 0.957 344 K CB 0.348 32.764 32.500 -0.139 0.000 0.738 344 K HN 0.624 nan 8.250 nan 0.000 0.447 345 S N -0.786 114.748 115.700 -0.278 0.000 2.595 345 S HA 0.509 4.979 4.470 0.001 0.000 0.281 345 S C -1.837 172.502 174.600 -0.434 0.000 1.117 345 S CA -0.810 57.240 58.200 -0.250 0.000 0.873 345 S CB 0.898 63.975 63.200 -0.205 0.000 1.108 345 S HN 0.085 nan 8.310 nan 0.000 0.477 346 Y N 1.099 121.347 120.300 -0.088 0.000 2.477 346 Y HA 0.726 5.277 4.550 0.001 0.000 0.347 346 Y C 0.557 176.401 175.900 -0.094 0.000 0.981 346 Y CA -0.641 57.382 58.100 -0.128 0.000 1.033 346 Y CB 2.131 40.531 38.460 -0.100 0.000 1.245 346 Y HN 0.704 nan 8.280 nan 0.000 0.455 347 R N 1.928 122.428 120.500 -0.000 0.000 2.766 347 R HA 0.530 4.870 4.340 0.001 0.000 0.270 347 R C -1.456 174.773 176.300 -0.120 0.000 1.035 347 R CA -1.085 54.975 56.100 -0.066 0.000 0.911 347 R CB 2.046 32.278 30.300 -0.113 0.000 1.243 347 R HN 0.642 nan 8.270 nan 0.000 0.460 348 I N 0.040 120.504 120.570 -0.177 0.000 7.356 348 I HA -0.141 4.030 4.170 0.001 0.000 0.126 348 I C -2.294 173.838 176.117 0.026 0.000 1.829 348 I CA -0.180 61.088 61.300 -0.053 0.000 2.068 348 I CB -2.211 35.775 38.000 -0.023 0.000 3.620 348 I HN 0.488 nan 8.210 nan 0.000 0.179 349 P HA 0.458 nan 4.420 nan 0.000 0.274 349 P C -0.321 177.059 177.300 0.133 0.000 1.231 349 P CA -0.063 63.084 63.100 0.078 0.000 0.790 349 P CB 1.924 33.671 31.700 0.078 0.000 0.951 350 A N 2.901 125.810 122.820 0.148 0.000 2.402 350 A HA 0.564 4.885 4.320 0.001 0.000 0.291 350 A C -1.544 176.169 177.584 0.216 0.000 1.051 350 A CA -0.588 51.559 52.037 0.183 0.000 0.716 350 A CB 0.952 20.057 19.000 0.175 0.000 1.223 350 A HN 0.483 nan 8.150 nan 0.000 0.425 351 L N 2.742 124.109 121.223 0.239 0.000 2.341 351 L HA 0.878 5.219 4.340 0.001 0.000 0.278 351 L C -1.370 175.658 176.870 0.264 0.000 1.005 351 L CA -0.747 54.257 54.840 0.273 0.000 0.818 351 L CB 1.610 43.861 42.059 0.319 0.000 1.259 351 L HN 0.704 nan 8.230 nan 0.000 0.418 352 L N 4.444 125.824 121.223 0.262 0.000 2.438 352 L HA 0.576 4.916 4.340 0.001 0.000 0.270 352 L C -1.143 175.846 176.870 0.199 0.000 0.972 352 L CA -0.559 54.422 54.840 0.235 0.000 0.831 352 L CB 1.569 43.776 42.059 0.247 0.000 1.273 352 L HN 0.629 nan 8.230 nan 0.000 0.405 353 K N 3.005 123.509 120.400 0.174 0.000 2.264 353 K HA 0.551 4.872 4.320 0.001 0.000 0.277 353 K C -0.170 176.495 176.600 0.108 0.000 1.067 353 K CA -0.126 56.237 56.287 0.126 0.000 0.900 353 K CB 0.714 33.285 32.500 0.119 0.000 1.124 353 K HN 0.766 nan 8.250 nan 0.000 0.469 354 T N 0.180 114.783 114.554 0.082 0.000 2.816 354 T HA 0.084 4.434 4.350 0.001 0.000 0.282 354 T C 1.065 175.792 174.700 0.044 0.000 0.993 354 T CA -0.181 61.959 62.100 0.067 0.000 0.994 354 T CB 0.851 69.747 68.868 0.047 0.000 1.025 354 T HN 0.702 nan 8.240 nan 0.000 0.529 355 D N 0.362 120.785 120.400 0.038 0.000 2.221 355 D HA -0.172 4.469 4.640 0.001 0.000 0.204 355 D C 1.354 177.660 176.300 0.009 0.000 0.982 355 D CA 1.087 55.102 54.000 0.026 0.000 0.857 355 D CB -0.141 40.671 40.800 0.021 0.000 0.934 355 D HN 0.655 nan 8.370 nan 0.000 0.475 356 K N -0.431 119.969 120.400 0.001 0.000 2.487 356 K HA 0.139 4.460 4.320 0.001 0.000 0.192 356 K C 1.284 177.873 176.600 -0.019 0.000 1.027 356 K CA 0.532 56.811 56.287 -0.013 0.000 1.054 356 K CB 0.225 32.713 32.500 -0.020 0.000 0.824 356 K HN 0.373 nan 8.250 nan 0.000 0.510 357 G N 1.038 109.832 108.800 -0.010 0.000 2.199 357 G HA2 -0.252 3.709 3.960 0.001 0.000 0.254 357 G HA3 -0.252 3.709 3.960 0.001 0.000 0.254 357 G C 0.329 175.205 174.900 -0.041 0.000 0.982 357 G CA 0.357 45.444 45.100 -0.021 0.000 0.632 357 G HN 0.309 nan 8.290 nan 0.000 0.529 358 T N 1.128 115.658 114.554 -0.039 0.000 2.900 358 T HA 0.512 4.863 4.350 0.001 0.000 0.307 358 T C 0.495 175.169 174.700 -0.043 0.000 1.065 358 T CA 0.202 62.263 62.100 -0.066 0.000 1.105 358 T CB 1.444 70.288 68.868 -0.039 0.000 0.979 358 T HN 0.307 nan 8.240 nan 0.000 0.544 359 L N 2.781 123.938 121.223 -0.110 0.000 2.305 359 L HA 0.530 4.871 4.340 0.001 0.000 0.284 359 L C -0.420 176.516 176.870 0.111 0.000 1.013 359 L CA -0.630 54.193 54.840 -0.029 0.000 0.819 359 L CB 1.125 43.069 42.059 -0.192 0.000 1.227 359 L HN 0.514 nan 8.230 nan 0.000 0.417 360 I N 3.323 124.034 120.570 0.234 0.000 2.362 360 I HA 0.452 4.623 4.170 0.001 0.000 0.289 360 I C 0.094 176.424 176.117 0.354 0.000 0.994 360 I CA -0.391 61.097 61.300 0.314 0.000 1.158 360 I CB 1.892 40.070 38.000 0.296 0.000 1.315 360 I HN 0.592 nan 8.210 nan 0.000 0.451 361 A N 5.344 128.390 122.820 0.376 0.000 2.258 361 A HA 0.773 5.093 4.320 0.001 0.000 0.316 361 A C 0.111 177.900 177.584 0.342 0.000 1.279 361 A CA -0.418 51.778 52.037 0.265 0.000 0.876 361 A CB 0.785 19.744 19.000 -0.067 0.000 1.170 361 A HN 0.805 nan 8.150 nan 0.000 0.520 362 G N 0.500 109.450 108.800 0.249 0.000 2.441 362 G HA2 0.842 4.803 3.960 0.001 0.000 0.334 362 G HA3 0.842 4.803 3.960 0.001 0.000 0.334 362 G C -0.331 174.550 174.900 -0.031 0.000 1.161 362 G CA -0.031 45.143 45.100 0.123 0.000 0.935 362 G HN 1.836 nan 8.290 nan 0.000 0.488 363 A N 0.685 123.356 122.820 -0.248 0.000 2.566 363 A HA 0.597 4.917 4.320 0.001 0.000 0.290 363 A C -1.800 175.612 177.584 -0.287 0.000 1.071 363 A CA -0.737 51.088 52.037 -0.353 0.000 0.658 363 A CB 1.170 19.683 19.000 -0.813 0.000 1.285 363 A HN 0.518 nan 8.150 nan 0.000 0.427 364 D N 1.234 121.515 120.400 -0.198 0.000 2.295 364 D HA 0.423 5.064 4.640 0.001 0.000 0.248 364 D C -0.238 175.946 176.300 -0.193 0.000 1.154 364 D CA 0.527 54.424 54.000 -0.171 0.000 0.857 364 D CB 1.301 42.020 40.800 -0.134 0.000 1.117 364 D HN 0.505 nan 8.370 nan 0.000 0.468 365 E N 2.873 122.937 120.200 -0.227 0.000 1.986 365 E HA 0.137 4.488 4.350 0.001 0.000 0.264 365 E C -0.504 175.858 176.600 -0.396 0.000 1.023 365 E CA -0.686 55.488 56.400 -0.378 0.000 0.834 365 E CB 0.249 29.835 29.700 -0.189 0.000 1.111 365 E HN 0.236 nan 8.360 nan 0.000 0.417 366 R N 4.061 124.281 120.500 -0.467 0.000 2.408 366 R HA 0.161 4.501 4.340 0.001 0.000 0.308 366 R C 1.261 177.311 176.300 -0.415 0.000 1.210 366 R CA -0.242 55.625 56.100 -0.389 0.000 1.115 366 R CB 0.548 30.645 30.300 -0.339 0.000 1.127 366 R HN 0.494 nan 8.270 nan 0.000 0.523 367 R N 2.447 122.735 120.500 -0.353 0.000 2.080 367 R HA -0.145 4.196 4.340 0.001 0.000 0.236 367 R C 1.267 177.402 176.300 -0.275 0.000 1.137 367 R CA 1.692 57.620 56.100 -0.287 0.000 0.943 367 R CB 0.027 30.205 30.300 -0.202 0.000 0.846 367 R HN 0.493 nan 8.270 nan 0.000 0.431 368 L N -1.072 119.937 121.223 -0.358 0.000 2.270 368 L HA 0.059 4.400 4.340 0.001 0.000 0.210 368 L C 0.256 176.965 176.870 -0.269 0.000 1.104 368 L CA 0.390 55.042 54.840 -0.314 0.000 0.804 368 L CB -0.167 41.716 42.059 -0.294 0.000 0.937 368 L HN 0.473 nan 8.230 nan 0.000 0.450 369 H N -6.440 112.520 119.070 -0.183 0.000 2.876 369 H HA 0.225 4.782 4.556 0.001 0.000 0.284 369 H C -0.086 175.075 175.328 -0.279 0.000 1.445 369 H CA -0.624 55.295 56.048 -0.216 0.000 1.141 369 H CB 0.143 29.775 29.762 -0.217 0.000 1.816 369 H HN -0.276 nan 8.280 nan 0.000 0.511 370 S N -0.430 115.233 115.700 -0.063 0.000 2.593 370 S HA 0.143 4.614 4.470 0.001 0.000 0.217 370 S C 0.323 174.787 174.600 -0.227 0.000 0.966 370 S CA 0.285 58.387 58.200 -0.163 0.000 0.914 370 S CB -0.111 62.974 63.200 -0.192 0.000 0.776 370 S HN 0.544 nan 8.310 nan 0.000 0.523 371 S N 2.515 118.042 115.700 -0.288 0.000 2.589 371 S HA 0.059 4.530 4.470 0.001 0.000 0.265 371 S C 0.242 174.439 174.600 -0.671 0.000 1.342 371 S CA -0.267 57.437 58.200 -0.827 0.000 1.005 371 S CB 0.212 62.240 63.200 -1.953 0.000 0.909 371 S HN 0.307 nan 8.310 nan 0.000 0.555 372 D N 1.733 121.782 120.400 -0.586 0.000 3.032 372 D HA 0.297 4.938 4.640 0.001 0.000 0.241 372 D C -0.150 176.260 176.300 0.183 0.000 1.196 372 D CA 0.120 54.075 54.000 -0.075 0.000 0.927 372 D CB -0.578 40.347 40.800 0.209 0.000 1.129 372 D HN 0.539 nan 8.370 nan 0.000 0.458 373 W N -1.228 120.133 121.300 0.102 0.000 2.743 373 W HA 0.519 5.179 4.660 0.001 0.000 0.434 373 W C 0.149 176.738 176.519 0.116 0.000 1.048 373 W CA -0.495 56.898 57.345 0.081 0.000 1.170 373 W CB 0.155 29.643 29.460 0.048 0.000 1.466 373 W HN 0.225 nan 8.180 nan 0.000 0.596 374 G N 0.630 109.706 108.800 0.460 0.000 2.512 374 G HA2 0.045 4.006 3.960 0.001 0.000 0.210 374 G HA3 0.045 4.006 3.960 0.001 0.000 0.210 374 G C -1.239 173.692 174.900 0.052 0.000 1.295 374 G CA -0.042 45.196 45.100 0.231 0.000 0.934 374 G HN 1.189 nan 8.290 nan 0.000 0.554 375 D N 0.871 121.236 120.400 -0.058 0.000 2.393 375 D HA 0.535 5.175 4.640 0.001 0.000 0.232 375 D C 0.339 176.569 176.300 -0.117 0.000 1.192 375 D CA -0.151 53.814 54.000 -0.058 0.000 0.882 375 D CB -0.262 40.500 40.800 -0.063 0.000 1.038 375 D HN 0.578 nan 8.370 nan 0.000 0.499 376 I N 2.843 123.363 120.570 -0.082 0.000 2.436 376 I HA 0.485 4.656 4.170 0.001 0.000 0.289 376 I C 0.763 176.814 176.117 -0.110 0.000 1.010 376 I CA -1.097 60.130 61.300 -0.121 0.000 1.098 376 I CB 2.337 40.276 38.000 -0.103 0.000 1.266 376 I HN 0.362 nan 8.210 nan 0.000 0.434 377 G N 6.734 115.453 108.800 -0.136 0.000 2.388 377 G HA2 0.588 4.549 3.960 0.001 0.000 0.330 377 G HA3 0.588 4.549 3.960 0.001 0.000 0.330 377 G C -0.393 174.396 174.900 -0.187 0.000 1.142 377 G CA -0.682 44.340 45.100 -0.131 0.000 0.908 377 G HN 0.336 nan 8.290 nan 0.000 0.473 378 M N 2.563 122.008 119.600 -0.258 0.000 2.108 378 M HA 0.312 4.793 4.480 0.001 0.000 0.347 378 M C 0.131 176.262 176.300 -0.282 0.000 1.326 378 M CA -0.528 54.563 55.300 -0.347 0.000 1.126 378 M CB 0.278 32.499 32.600 -0.630 0.000 1.606 378 M HN 0.411 nan 8.290 nan 0.000 0.462 379 V N 2.946 122.726 119.914 -0.224 0.000 3.102 379 V HA 0.966 5.087 4.120 0.001 0.000 0.312 379 V C -0.794 175.267 176.094 -0.055 0.000 1.135 379 V CA -1.022 61.200 62.300 -0.130 0.000 1.022 379 V CB 2.572 34.383 31.823 -0.019 0.000 1.056 379 V HN 0.820 nan 8.190 nan 0.000 0.436 380 I N -1.031 119.603 120.570 0.106 0.000 3.006 380 I HA 0.833 5.004 4.170 0.001 0.000 0.306 380 I C -0.676 175.638 176.117 0.329 0.000 1.250 380 I CA -0.961 60.504 61.300 0.273 0.000 0.996 380 I CB 2.448 40.579 38.000 0.219 0.000 1.261 380 I HN 0.748 nan 8.210 nan 0.000 0.442 381 R N 2.187 122.877 120.500 0.315 0.000 2.750 381 R HA 0.736 5.076 4.340 0.001 0.000 0.281 381 R C -1.098 175.416 176.300 0.356 0.000 0.972 381 R CA -1.072 55.156 56.100 0.213 0.000 0.912 381 R CB 2.645 32.907 30.300 -0.064 0.000 1.187 381 R HN 0.638 nan 8.270 nan 0.000 0.464 382 R N 0.306 120.976 120.500 0.282 0.000 2.637 382 R HA 0.405 4.746 4.340 0.001 0.000 0.291 382 R C -0.833 175.408 176.300 -0.099 0.000 0.963 382 R CA -0.604 55.586 56.100 0.151 0.000 0.901 382 R CB 2.287 32.639 30.300 0.086 0.000 1.160 382 R HN 0.401 nan 8.270 nan 0.000 0.457 383 S N 0.987 116.406 115.700 -0.467 0.000 2.561 383 S HA 0.206 4.677 4.470 0.001 0.000 0.303 383 S C -0.125 174.174 174.600 -0.502 0.000 1.110 383 S CA -0.680 57.003 58.200 -0.862 0.000 1.034 383 S CB 1.194 63.175 63.200 -2.032 0.000 1.010 383 S HN 0.705 nan 8.310 nan 0.000 0.482 384 E N 2.123 122.107 120.200 -0.359 0.000 2.501 384 E HA 0.084 4.435 4.350 0.001 0.000 0.201 384 E C -0.534 175.937 176.600 -0.215 0.000 1.016 384 E CA 0.051 56.314 56.400 -0.228 0.000 0.920 384 E CB 0.295 29.905 29.700 -0.150 0.000 1.023 384 E HN 0.725 nan 8.360 nan 0.000 0.474 385 D N -0.294 119.934 120.400 -0.286 0.000 2.788 385 D HA 0.056 4.697 4.640 0.001 0.000 0.289 385 D C -0.059 176.110 176.300 -0.219 0.000 1.340 385 D CA -0.819 53.053 54.000 -0.212 0.000 0.831 385 D CB -0.280 40.412 40.800 -0.181 0.000 1.103 385 D HN -0.168 nan 8.370 nan 0.000 0.476 386 N N 0.624 119.176 118.700 -0.247 0.000 2.735 386 N HA -0.177 4.564 4.740 0.001 0.000 0.248 386 N C 1.130 176.505 175.510 -0.226 0.000 1.083 386 N CA 1.580 54.520 53.050 -0.184 0.000 0.703 386 N CB -1.222 37.227 38.487 -0.063 0.000 1.005 386 N HN 0.754 nan 8.380 nan 0.000 0.550 387 G N -1.481 106.974 108.800 -0.574 0.000 2.175 387 G HA2 -0.383 3.578 3.960 0.001 0.000 0.244 387 G HA3 -0.383 3.578 3.960 0.001 0.000 0.244 387 G C 0.884 175.652 174.900 -0.220 0.000 0.982 387 G CA 1.060 45.764 45.100 -0.661 0.000 0.641 387 G HN 0.643 nan 8.290 nan 0.000 0.527 388 K N 1.404 121.679 120.400 -0.209 0.000 1.984 388 K HA 0.098 4.418 4.320 0.001 0.000 0.209 388 K C 1.589 178.152 176.600 -0.063 0.000 1.046 388 K CA 2.305 58.560 56.287 -0.053 0.000 0.934 388 K CB -0.465 31.996 32.500 -0.066 0.000 0.717 388 K HN 0.884 nan 8.250 nan 0.000 0.438 389 T N -2.733 111.668 114.554 -0.256 0.000 2.924 389 T HA 0.612 4.962 4.350 0.001 0.000 0.291 389 T C -1.068 173.360 174.700 -0.453 0.000 1.045 389 T CA -0.916 61.087 62.100 -0.162 0.000 1.015 389 T CB 1.134 69.941 68.868 -0.102 0.000 1.103 389 T HN 0.200 nan 8.240 nan 0.000 0.496 390 W N -0.007 121.219 121.300 -0.123 0.000 2.936 390 W HA 0.682 5.343 4.660 0.001 0.000 0.338 390 W C 0.566 177.018 176.519 -0.111 0.000 1.121 390 W CA -0.738 56.520 57.345 -0.146 0.000 1.209 390 W CB 1.901 31.231 29.460 -0.218 0.000 1.420 390 W HN 1.173 nan 8.180 nan 0.000 0.516 391 G N 0.707 109.569 108.800 0.104 0.000 2.535 391 G HA2 0.243 4.203 3.960 0.001 0.000 0.282 391 G HA3 0.243 4.203 3.960 0.001 0.000 0.282 391 G C -0.340 174.599 174.900 0.066 0.000 1.350 391 G CA -0.562 44.575 45.100 0.061 0.000 1.039 391 G HN 0.382 nan 8.290 nan 0.000 0.509 392 D N -0.314 120.118 120.400 0.053 0.000 2.360 392 D HA 0.167 4.808 4.640 0.001 0.000 0.242 392 D C 0.685 177.031 176.300 0.077 0.000 1.184 392 D CA 0.190 54.221 54.000 0.052 0.000 0.930 392 D CB 0.715 41.544 40.800 0.048 0.000 1.161 392 D HN 0.172 nan 8.370 nan 0.000 0.447 393 R N 0.048 120.600 120.500 0.086 0.000 2.570 393 R HA 0.228 4.569 4.340 0.001 0.000 0.277 393 R C -0.554 175.820 176.300 0.125 0.000 1.039 393 R CA -0.071 56.111 56.100 0.136 0.000 1.065 393 R CB 0.447 30.846 30.300 0.166 0.000 0.964 393 R HN 0.112 nan 8.270 nan 0.000 0.428 394 V N 3.136 123.137 119.914 0.145 0.000 2.378 394 V HA 0.168 4.288 4.120 0.001 0.000 0.288 394 V C -0.095 176.038 176.094 0.064 0.000 1.016 394 V CA -0.637 61.745 62.300 0.135 0.000 0.840 394 V CB 1.975 33.930 31.823 0.221 0.000 0.994 394 V HN 0.772 nan 8.190 nan 0.000 0.431 395 T N 6.447 121.020 114.554 0.032 0.000 2.743 395 T HA 0.458 4.809 4.350 0.001 0.000 0.293 395 T C 1.311 175.960 174.700 -0.086 0.000 0.945 395 T CA -0.148 61.930 62.100 -0.037 0.000 1.030 395 T CB 1.136 69.999 68.868 -0.009 0.000 0.912 395 T HN 0.414 nan 8.240 nan 0.000 0.483 396 I N 1.829 122.245 120.570 -0.256 0.000 2.296 396 I HA 0.027 4.198 4.170 0.001 0.000 0.242 396 I C 0.825 176.937 176.117 -0.009 0.000 1.087 396 I CA 0.820 61.919 61.300 -0.335 0.000 1.393 396 I CB 0.212 37.771 38.000 -0.734 0.000 1.093 396 I HN 0.510 nan 8.210 nan 0.000 0.421 397 T N 0.773 115.282 114.554 -0.075 0.000 2.993 397 T HA 0.315 4.665 4.350 0.001 0.000 0.312 397 T C -0.875 173.831 174.700 0.009 0.000 1.115 397 T CA -0.561 61.580 62.100 0.068 0.000 1.027 397 T CB 2.029 70.947 68.868 0.083 0.000 1.116 397 T HN -0.013 nan 8.240 nan 0.000 0.464 398 N N 2.894 121.651 118.700 0.095 0.000 2.701 398 N HA 0.251 4.992 4.740 0.001 0.000 0.258 398 N C -0.948 174.640 175.510 0.131 0.000 1.262 398 N CA -0.333 52.754 53.050 0.062 0.000 0.780 398 N CB 0.672 39.174 38.487 0.025 0.000 1.380 398 N HN 0.561 nan 8.380 nan 0.000 0.548 399 L N 2.643 123.965 121.223 0.165 0.000 2.485 399 L HA 0.237 4.578 4.340 0.001 0.000 0.275 399 L C 1.472 178.468 176.870 0.210 0.000 1.207 399 L CA -0.351 54.630 54.840 0.235 0.000 0.855 399 L CB 0.370 42.581 42.059 0.252 0.000 1.114 399 L HN 0.347 nan 8.230 nan 0.000 0.485 400 R N 1.531 122.179 120.500 0.247 0.000 2.594 400 R HA 0.145 4.486 4.340 0.001 0.000 0.272 400 R C -0.536 175.940 176.300 0.294 0.000 1.074 400 R CA -0.837 55.402 56.100 0.233 0.000 1.105 400 R CB 0.393 30.833 30.300 0.234 0.000 1.008 400 R HN 0.635 nan 8.270 nan 0.000 0.472 401 D N 1.433 121.934 120.400 0.169 0.000 2.377 401 D HA -0.076 4.565 4.640 0.001 0.000 0.245 401 D C -0.553 175.694 176.300 -0.088 0.000 1.196 401 D CA -0.540 53.505 54.000 0.076 0.000 0.962 401 D CB 0.412 41.217 40.800 0.008 0.000 1.127 401 D HN 0.568 nan 8.370 nan 0.000 0.471 402 N N 0.850 119.295 118.700 -0.425 0.000 2.402 402 N HA 0.097 4.838 4.740 0.001 0.000 0.252 402 N C -1.638 173.618 175.510 -0.422 0.000 1.118 402 N CA -1.942 50.512 53.050 -0.993 0.000 0.945 402 N CB 0.899 38.795 38.487 -0.985 0.000 1.147 402 N HN 0.193 nan 8.380 nan 0.000 0.495 403 P HA -0.091 nan 4.420 nan 0.000 0.225 403 P C 0.128 177.363 177.300 -0.108 0.000 1.148 403 P CA 1.017 64.048 63.100 -0.115 0.000 0.779 403 P CB 0.462 32.141 31.700 -0.034 0.000 0.780 404 K N -0.744 119.564 120.400 -0.153 0.000 2.358 404 K HA 0.299 4.620 4.320 0.001 0.000 0.200 404 K C 0.960 177.496 176.600 -0.107 0.000 1.030 404 K CA -0.394 55.832 56.287 -0.102 0.000 1.097 404 K CB 0.184 32.639 32.500 -0.075 0.000 0.862 404 K HN 0.032 nan 8.250 nan 0.000 0.534 405 A N 1.153 123.887 122.820 -0.144 0.000 2.511 405 A HA 0.122 4.443 4.320 0.001 0.000 0.242 405 A C 1.252 178.796 177.584 -0.066 0.000 1.069 405 A CA 0.112 52.083 52.037 -0.110 0.000 0.763 405 A CB 0.291 19.218 19.000 -0.121 0.000 1.001 405 A HN 0.196 nan 8.150 nan 0.000 0.498 406 S N 0.514 116.183 115.700 -0.051 0.000 2.383 406 S HA -0.076 4.395 4.470 0.001 0.000 0.227 406 S C 0.646 175.230 174.600 -0.027 0.000 1.026 406 S CA 1.490 59.668 58.200 -0.036 0.000 0.981 406 S CB -0.057 63.124 63.200 -0.033 0.000 0.818 406 S HN 0.854 nan 8.310 nan 0.000 0.472 407 D N 0.755 121.141 120.400 -0.024 0.000 2.454 407 D HA 0.260 4.900 4.640 0.001 0.000 0.247 407 D C -1.828 174.479 176.300 0.011 0.000 1.129 407 D CA -2.425 51.572 54.000 -0.005 0.000 0.877 407 D CB 1.547 42.343 40.800 -0.005 0.000 1.082 407 D HN -0.015 nan 8.370 nan 0.000 0.537 408 P HA -0.130 nan 4.420 nan 0.000 0.219 408 P C 1.087 178.435 177.300 0.080 0.000 1.146 408 P CA 0.620 63.733 63.100 0.022 0.000 0.808 408 P CB 0.417 32.121 31.700 0.008 0.000 0.779 409 S N 0.096 115.880 115.700 0.140 0.000 2.442 409 S HA -0.054 4.416 4.470 0.001 0.000 0.236 409 S C 1.747 176.612 174.600 0.441 0.000 1.007 409 S CA 1.197 59.589 58.200 0.321 0.000 0.965 409 S CB -0.692 62.695 63.200 0.312 0.000 0.773 409 S HN 0.426 nan 8.310 nan 0.000 0.504 410 I N -3.244 117.457 120.570 0.218 0.000 3.994 410 I HA 0.493 4.663 4.170 0.001 0.000 0.323 410 I C 0.852 177.002 176.117 0.056 0.000 1.501 410 I CA -0.391 60.992 61.300 0.137 0.000 1.112 410 I CB 0.342 38.299 38.000 -0.072 0.000 1.254 410 I HN 0.036 nan 8.210 nan 0.000 0.495 411 G N 0.893 109.723 108.800 0.049 0.000 3.702 411 G HA2 0.395 4.356 3.960 0.001 0.000 0.288 411 G HA3 0.395 4.356 3.960 0.001 0.000 0.288 411 G C -0.120 174.763 174.900 -0.028 0.000 1.193 411 G CA 0.096 45.185 45.100 -0.018 0.000 0.952 411 G HN 0.328 nan 8.290 nan 0.000 0.544 412 S N -0.301 115.427 115.700 0.046 0.000 2.546 412 S HA 0.686 5.157 4.470 0.001 0.000 0.274 412 S C -3.105 171.580 174.600 0.141 0.000 1.121 412 S CA -1.132 57.117 58.200 0.081 0.000 0.887 412 S CB 2.380 65.621 63.200 0.069 0.000 1.094 412 S HN -0.084 nan 8.310 nan 0.000 0.474 413 P HA 0.194 nan 4.420 nan 0.000 0.267 413 P C -1.226 176.134 177.300 0.099 0.000 1.200 413 P CA -0.265 62.936 63.100 0.169 0.000 0.772 413 P CB 0.493 32.318 31.700 0.209 0.000 0.855 414 V N 4.014 123.982 119.914 0.090 0.000 2.513 414 V HA 0.397 4.518 4.120 0.001 0.000 0.299 414 V C 0.044 176.164 176.094 0.043 0.000 1.035 414 V CA -0.488 61.878 62.300 0.111 0.000 0.889 414 V CB 1.611 33.570 31.823 0.226 0.000 0.988 414 V HN 0.485 nan 8.190 nan 0.000 0.440 415 N N 3.858 122.569 118.700 0.018 0.000 2.284 415 N HA 0.736 5.476 4.740 0.001 0.000 0.300 415 N C -1.163 174.376 175.510 0.048 0.000 1.047 415 N CA -0.314 52.737 53.050 0.001 0.000 0.821 415 N CB 2.822 41.258 38.487 -0.085 0.000 1.337 415 N HN 0.798 nan 8.380 nan 0.000 0.482 416 I N 0.498 121.143 120.570 0.124 0.000 2.842 416 I HA 0.186 4.356 4.170 0.001 0.000 0.297 416 I C -1.619 174.605 176.117 0.177 0.000 1.380 416 I CA -0.412 60.964 61.300 0.127 0.000 1.018 416 I CB 1.643 39.751 38.000 0.180 0.000 1.311 416 I HN 0.410 nan 8.210 nan 0.000 0.439 417 D N 5.891 126.374 120.400 0.139 0.000 6.013 417 D HA -0.150 4.491 4.640 0.001 0.000 0.242 417 D C -0.806 175.617 176.300 0.205 0.000 1.609 417 D CA 1.364 55.473 54.000 0.182 0.000 1.473 417 D CB -0.268 40.687 40.800 0.258 0.000 0.711 417 D HN 0.693 nan 8.370 nan 0.000 0.388 418 M N -1.134 118.572 119.600 0.176 0.000 2.664 418 M HA 0.796 5.277 4.480 0.001 0.000 0.314 418 M C -1.004 175.413 176.300 0.196 0.000 1.200 418 M CA -0.985 54.443 55.300 0.214 0.000 0.916 418 M CB 2.464 35.169 32.600 0.175 0.000 1.717 418 M HN 0.006 nan 8.290 nan 0.000 0.470 419 V N 2.880 122.915 119.914 0.203 0.000 2.588 419 V HA 0.550 4.671 4.120 0.001 0.000 0.304 419 V C -0.552 175.685 176.094 0.240 0.000 1.042 419 V CA -0.615 61.804 62.300 0.198 0.000 0.877 419 V CB 1.921 33.842 31.823 0.164 0.000 0.996 419 V HN 0.802 nan 8.190 nan 0.000 0.425 420 L N 4.777 126.155 121.223 0.257 0.000 2.331 420 L HA 0.884 5.225 4.340 0.001 0.000 0.275 420 L C -0.617 176.442 176.870 0.316 0.000 1.022 420 L CA -0.799 54.228 54.840 0.312 0.000 0.812 420 L CB 2.032 44.272 42.059 0.300 0.000 1.257 420 L HN 0.472 nan 8.230 nan 0.000 0.435 421 V N 2.158 122.294 119.914 0.370 0.000 3.106 421 V HA 0.281 4.401 4.120 0.001 0.000 0.280 421 V C -1.743 174.591 176.094 0.400 0.000 1.525 421 V CA -0.391 62.124 62.300 0.358 0.000 0.999 421 V CB 2.384 34.423 31.823 0.360 0.000 1.186 421 V HN 0.886 nan 8.190 nan 0.000 0.448 422 Q N 3.534 123.523 119.800 0.315 0.000 2.353 422 Q HA 0.406 4.747 4.340 0.001 0.000 0.268 422 Q C -1.201 174.964 176.000 0.274 0.000 1.045 422 Q CA -0.663 55.301 55.803 0.268 0.000 0.811 422 Q CB 1.900 30.738 28.738 0.167 0.000 1.305 422 Q HN 0.864 nan 8.270 nan 0.000 0.447 423 D N 5.416 125.997 120.400 0.301 0.000 2.338 423 D HA 0.083 4.723 4.640 0.001 0.000 0.255 423 D C -1.557 174.838 176.300 0.157 0.000 1.237 423 D CA -1.667 52.497 54.000 0.274 0.000 0.883 423 D CB 1.496 42.505 40.800 0.348 0.000 1.087 423 D HN 0.449 nan 8.370 nan 0.000 0.485 424 P HA -0.129 nan 4.420 nan 0.000 0.225 424 P C 0.908 178.241 177.300 0.054 0.000 1.148 424 P CA 0.897 64.051 63.100 0.090 0.000 0.779 424 P CB 0.595 32.351 31.700 0.093 0.000 0.780 425 E N 0.252 120.481 120.200 0.049 0.000 2.079 425 E HA -0.067 4.284 4.350 0.001 0.000 0.191 425 E C 1.972 178.524 176.600 -0.081 0.000 0.961 425 E CA 1.367 57.754 56.400 -0.021 0.000 0.823 425 E CB -0.209 29.466 29.700 -0.041 0.000 0.789 425 E HN 0.163 nan 8.360 nan 0.000 0.459 426 T N -1.586 112.901 114.554 -0.111 0.000 3.067 426 T HA 0.065 4.416 4.350 0.001 0.000 0.261 426 T C 0.775 175.434 174.700 -0.068 0.000 1.110 426 T CA 0.511 62.538 62.100 -0.123 0.000 1.113 426 T CB 0.147 68.927 68.868 -0.146 0.000 0.917 426 T HN 0.043 nan 8.240 nan 0.000 0.499 427 K N -0.278 120.106 120.400 -0.026 0.000 3.547 427 K HA -0.165 4.156 4.320 0.001 0.000 0.309 427 K C 0.335 176.898 176.600 -0.061 0.000 1.324 427 K CA 0.810 57.083 56.287 -0.023 0.000 0.988 427 K CB -1.915 30.564 32.500 -0.036 0.000 1.261 427 K HN 0.675 nan 8.250 nan 0.000 0.444 428 R N 1.222 121.665 120.500 -0.095 0.000 2.491 428 R HA 0.366 4.706 4.340 0.001 0.000 0.283 428 R C 0.070 176.186 176.300 -0.307 0.000 1.072 428 R CA -0.065 55.884 56.100 -0.251 0.000 1.048 428 R CB 0.383 30.458 30.300 -0.374 0.000 0.983 428 R HN 0.119 nan 8.270 nan 0.000 0.450 429 I N 4.955 125.312 120.570 -0.355 0.000 2.377 429 I HA 0.291 4.462 4.170 0.001 0.000 0.293 429 I C -0.754 175.237 176.117 -0.211 0.000 0.987 429 I CA -0.596 60.604 61.300 -0.166 0.000 1.185 429 I CB 1.205 39.149 38.000 -0.094 0.000 1.341 429 I HN 0.464 nan 8.210 nan 0.000 0.455 430 F N 3.413 123.574 119.950 0.352 0.000 2.492 430 F HA 0.500 5.028 4.527 0.001 0.000 0.327 430 F C 0.446 176.527 175.800 0.468 0.000 1.079 430 F CA -0.658 57.604 58.000 0.438 0.000 0.967 430 F CB 1.999 41.229 39.000 0.383 0.000 1.169 430 F HN 0.264 nan 8.300 nan 0.000 0.472 431 S N 3.928 120.028 115.700 0.667 0.000 2.707 431 S HA 0.695 5.165 4.470 0.001 0.000 0.312 431 S C -1.029 173.786 174.600 0.360 0.000 1.116 431 S CA -0.443 58.039 58.200 0.471 0.000 1.078 431 S CB 0.077 63.462 63.200 0.308 0.000 0.997 431 S HN 0.507 nan 8.310 nan 0.000 0.477 432 I N 6.410 127.105 120.570 0.208 0.000 2.378 432 I HA 0.536 4.707 4.170 0.001 0.000 0.291 432 I C -0.849 175.294 176.117 0.044 0.000 0.992 432 I CA -0.908 60.356 61.300 -0.060 0.000 1.154 432 I CB 1.279 39.161 38.000 -0.196 0.000 1.315 432 I HN 0.739 nan 8.210 nan 0.000 0.448 433 Y N 2.657 122.975 120.300 0.030 0.000 2.655 433 Y HA 0.602 5.153 4.550 0.001 0.000 0.336 433 Y C -1.132 174.745 175.900 -0.039 0.000 1.154 433 Y CA -1.627 56.483 58.100 0.018 0.000 1.055 433 Y CB 0.472 38.949 38.460 0.028 0.000 1.295 433 Y HN 0.324 nan 8.280 nan 0.000 0.465 434 D N 2.105 122.577 120.400 0.120 0.000 2.329 434 D HA 0.339 4.980 4.640 0.001 0.000 0.246 434 D C -0.623 175.574 176.300 -0.172 0.000 1.111 434 D CA -0.009 53.943 54.000 -0.080 0.000 0.941 434 D CB 1.315 42.135 40.800 0.033 0.000 1.169 434 D HN 0.589 nan 8.370 nan 0.000 0.441 435 M N 1.490 120.784 119.600 -0.511 0.000 2.386 435 M HA 0.444 4.924 4.480 0.001 0.000 0.293 435 M C -2.099 173.846 176.300 -0.590 0.000 1.120 435 M CA -0.509 54.373 55.300 -0.697 0.000 0.909 435 M CB 1.370 32.996 32.600 -1.623 0.000 1.661 435 M HN 0.310 nan 8.290 nan 0.000 0.452 436 F N 4.824 124.663 119.950 -0.185 0.000 2.578 436 F HA 0.682 5.210 4.527 0.001 0.000 0.311 436 F C -2.073 173.695 175.800 -0.053 0.000 1.094 436 F CA -1.155 56.838 58.000 -0.011 0.000 0.923 436 F CB 2.000 41.028 39.000 0.048 0.000 1.230 436 F HN 0.378 nan 8.300 nan 0.000 0.450 437 P HA 0.020 nan 4.420 nan 0.000 0.277 437 P C -0.615 176.813 177.300 0.213 0.000 1.276 437 P CA -0.411 62.809 63.100 0.199 0.000 0.788 437 P CB 0.593 32.451 31.700 0.263 0.000 1.114 438 E N -0.345 119.992 120.200 0.228 0.000 2.765 438 E HA 0.204 4.554 4.350 0.001 0.000 0.256 438 E C 0.332 176.990 176.600 0.097 0.000 0.935 438 E CA 0.764 57.263 56.400 0.165 0.000 0.954 438 E CB -0.557 29.241 29.700 0.162 0.000 0.908 438 E HN 0.699 nan 8.360 nan 0.000 0.500 439 G N 3.718 112.548 108.800 0.049 0.000 2.368 439 G HA2 -0.038 3.923 3.960 0.001 0.000 0.269 439 G HA3 -0.038 3.923 3.960 0.001 0.000 0.269 439 G C -0.862 173.955 174.900 -0.138 0.000 1.291 439 G CA -0.641 44.431 45.100 -0.048 0.000 0.903 439 G HN 0.421 nan 8.290 nan 0.000 0.483 440 K N 0.974 121.195 120.400 -0.298 0.000 2.675 440 K HA 0.422 4.743 4.320 0.001 0.000 0.213 440 K C 1.357 177.821 176.600 -0.226 0.000 1.074 440 K CA 0.460 56.429 56.287 -0.529 0.000 1.172 440 K CB 0.442 32.402 32.500 -0.900 0.000 0.927 440 K HN 1.434 nan 8.250 nan 0.000 0.471 441 G N 2.251 110.868 108.800 -0.305 0.000 2.634 441 G HA2 -0.387 3.574 3.960 0.001 0.000 0.309 441 G HA3 -0.387 3.574 3.960 0.001 0.000 0.309 441 G C 0.800 175.035 174.900 -1.107 0.000 1.265 441 G CA 0.348 44.893 45.100 -0.925 0.000 0.998 441 G HN 0.392 nan 8.290 nan 0.000 0.551 442 I N 0.204 120.208 120.570 -0.942 0.000 2.567 442 I HA 0.057 4.228 4.170 0.001 0.000 0.257 442 I C 1.944 177.740 176.117 -0.534 0.000 1.184 442 I CA 1.349 62.251 61.300 -0.663 0.000 1.451 442 I CB -0.137 37.383 38.000 -0.799 0.000 1.089 442 I HN 0.348 nan 8.210 nan 0.000 0.441 443 F N -0.389 119.455 119.950 -0.178 0.000 2.732 443 F HA 0.263 4.790 4.527 0.001 0.000 0.303 443 F C 1.747 177.428 175.800 -0.197 0.000 1.110 443 F CA 0.194 58.121 58.000 -0.122 0.000 1.355 443 F CB 0.532 39.481 39.000 -0.085 0.000 1.081 443 F HN 0.008 nan 8.300 nan 0.000 0.565 444 G N -0.103 108.622 108.800 -0.125 0.000 4.100 444 G HA2 0.295 4.256 3.960 0.001 0.000 0.294 444 G HA3 0.295 4.256 3.960 0.001 0.000 0.294 444 G C 0.231 175.074 174.900 -0.095 0.000 1.040 444 G CA -0.288 44.727 45.100 -0.142 0.000 0.829 444 G HN 0.012 nan 8.290 nan 0.000 0.505 445 M N 1.295 120.850 119.600 -0.075 0.000 2.242 445 M HA 0.271 4.752 4.480 0.001 0.000 0.344 445 M C 0.927 177.184 176.300 -0.072 0.000 1.140 445 M CA -0.083 55.187 55.300 -0.051 0.000 1.160 445 M CB 1.421 33.984 32.600 -0.062 0.000 1.491 445 M HN 0.145 nan 8.290 nan 0.000 0.459 446 S N 0.612 116.282 115.700 -0.049 0.000 2.585 446 S HA 0.062 4.532 4.470 0.001 0.000 0.273 446 S C 1.135 175.692 174.600 -0.072 0.000 1.339 446 S CA -0.208 57.962 58.200 -0.050 0.000 1.028 446 S CB 1.132 64.314 63.200 -0.031 0.000 0.906 446 S HN 0.764 nan 8.310 nan 0.000 0.528 447 S N 2.027 117.694 115.700 -0.055 0.000 2.406 447 S HA 0.056 4.527 4.470 0.001 0.000 0.228 447 S C 0.481 175.059 174.600 -0.037 0.000 1.020 447 S CA 0.695 58.866 58.200 -0.049 0.000 0.965 447 S CB -0.266 62.916 63.200 -0.030 0.000 0.798 447 S HN 0.760 nan 8.310 nan 0.000 0.488 448 Q N 1.668 121.448 119.800 -0.033 0.000 2.245 448 Q HA 0.352 4.693 4.340 0.001 0.000 0.256 448 Q C -0.657 175.328 176.000 -0.025 0.000 0.942 448 Q CA -0.366 55.422 55.803 -0.024 0.000 0.896 448 Q CB 1.664 30.386 28.738 -0.027 0.000 1.272 448 Q HN 0.378 nan 8.270 nan 0.000 0.442 449 K N 1.436 121.829 120.400 -0.011 0.000 2.258 449 K HA 0.146 4.467 4.320 0.001 0.000 0.264 449 K C -0.669 175.926 176.600 -0.009 0.000 1.007 449 K CA 0.155 56.439 56.287 -0.004 0.000 0.941 449 K CB 0.628 33.138 32.500 0.017 0.000 0.966 449 K HN 0.489 nan 8.250 nan 0.000 0.480 450 E N 2.567 122.771 120.200 0.006 0.000 2.244 450 E HA 0.084 4.435 4.350 0.001 0.000 0.260 450 E C -1.253 175.418 176.600 0.117 0.000 0.884 450 E CA -0.744 55.670 56.400 0.023 0.000 0.777 450 E CB 1.531 31.221 29.700 -0.017 0.000 1.197 450 E HN 0.499 nan 8.360 nan 0.000 0.416 451 E N 1.495 121.801 120.200 0.176 0.000 2.558 451 E HA -0.046 4.305 4.350 0.001 0.000 0.255 451 E C 0.311 177.015 176.600 0.174 0.000 0.968 451 E CA 0.183 56.688 56.400 0.175 0.000 0.939 451 E CB 1.197 31.010 29.700 0.187 0.000 0.921 451 E HN 0.677 nan 8.360 nan 0.000 0.477 452 A N 4.125 126.980 122.820 0.059 0.000 2.063 452 A HA 0.082 4.402 4.320 0.001 0.000 0.211 452 A C -0.093 177.189 177.584 -0.503 0.000 1.177 452 A CA 0.662 52.594 52.037 -0.175 0.000 0.759 452 A CB 0.282 19.134 19.000 -0.247 0.000 0.857 452 A HN 0.517 nan 8.150 nan 0.000 0.468 453 Y N -1.434 118.931 120.300 0.108 0.000 2.581 453 Y HA 0.639 5.189 4.550 0.001 0.000 0.345 453 Y C -0.180 175.757 175.900 0.062 0.000 1.036 453 Y CA -1.114 57.035 58.100 0.081 0.000 1.042 453 Y CB 1.664 40.161 38.460 0.061 0.000 1.289 453 Y HN 0.012 nan 8.280 nan 0.000 0.471 454 K N 1.714 122.249 120.400 0.225 0.000 2.482 454 K HA 0.392 4.713 4.320 0.001 0.000 0.251 454 K C -1.568 175.109 176.600 0.129 0.000 0.936 454 K CA -0.892 55.484 56.287 0.148 0.000 0.791 454 K CB 1.603 34.172 32.500 0.115 0.000 1.213 454 K HN 0.669 nan 8.250 nan 0.000 0.428 455 K N 5.500 125.944 120.400 0.073 0.000 2.262 455 K HA 0.310 4.631 4.320 0.001 0.000 0.282 455 K C -0.919 175.708 176.600 0.045 0.000 1.066 455 K CA -0.353 55.944 56.287 0.017 0.000 0.901 455 K CB 0.488 32.985 32.500 -0.006 0.000 1.089 455 K HN 0.523 nan 8.250 nan 0.000 0.476 456 I N 4.300 124.909 120.570 0.066 0.000 2.390 456 I HA 0.071 4.242 4.170 0.001 0.000 0.283 456 I C -0.402 175.756 176.117 0.069 0.000 1.016 456 I CA -0.539 60.827 61.300 0.110 0.000 1.151 456 I CB 1.403 39.542 38.000 0.232 0.000 1.293 456 I HN 0.795 nan 8.210 nan 0.000 0.458 457 D N 5.516 125.936 120.400 0.033 0.000 2.697 457 D HA -0.199 4.442 4.640 0.001 0.000 0.238 457 D C 1.083 177.377 176.300 -0.009 0.000 1.152 457 D CA 1.666 55.676 54.000 0.016 0.000 0.666 457 D CB -0.616 40.200 40.800 0.027 0.000 1.037 457 D HN 1.078 nan 8.370 nan 0.000 0.423 458 G N -0.700 108.082 108.800 -0.030 0.000 2.299 458 G HA2 -0.316 3.645 3.960 0.001 0.000 0.237 458 G HA3 -0.316 3.645 3.960 0.001 0.000 0.237 458 G C 0.303 175.134 174.900 -0.115 0.000 1.027 458 G CA 0.525 45.591 45.100 -0.057 0.000 0.619 458 G HN 0.475 nan 8.290 nan 0.000 0.513 459 K N 1.402 121.699 120.400 -0.172 0.000 2.118 459 K HA 0.614 4.935 4.320 0.001 0.000 0.267 459 K C -0.336 175.946 176.600 -0.529 0.000 0.991 459 K CA -0.120 55.934 56.287 -0.390 0.000 0.916 459 K CB 1.374 33.544 32.500 -0.550 0.000 1.041 459 K HN 0.148 nan 8.250 nan 0.000 0.455 460 T N 3.136 117.370 114.554 -0.533 0.000 2.758 460 T HA 0.442 4.793 4.350 0.001 0.000 0.285 460 T C -0.764 173.690 174.700 -0.411 0.000 0.981 460 T CA -0.412 61.475 62.100 -0.355 0.000 0.965 460 T CB 0.064 68.806 68.868 -0.209 0.000 0.927 460 T HN 0.206 nan 8.240 nan 0.000 0.448 461 Y N 1.346 121.694 120.300 0.081 0.000 2.468 461 Y HA 0.479 5.030 4.550 0.001 0.000 0.342 461 Y C 0.467 176.477 175.900 0.183 0.000 1.021 461 Y CA -1.342 56.810 58.100 0.087 0.000 1.079 461 Y CB 1.443 39.902 38.460 -0.001 0.000 1.226 461 Y HN 0.505 nan 8.280 nan 0.000 0.460 462 Q N 2.278 122.268 119.800 0.318 0.000 2.314 462 Q HA 0.438 4.779 4.340 0.001 0.000 0.258 462 Q C -0.984 175.013 176.000 -0.005 0.000 0.954 462 Q CA -0.218 55.651 55.803 0.110 0.000 0.890 462 Q CB 0.633 29.417 28.738 0.077 0.000 1.210 462 Q HN 0.681 nan 8.270 nan 0.000 0.410 463 I N 4.045 124.537 120.570 -0.130 0.000 2.612 463 I HA 0.229 4.400 4.170 0.001 0.000 0.295 463 I C -0.288 175.678 176.117 -0.251 0.000 1.011 463 I CA -0.505 60.678 61.300 -0.195 0.000 1.326 463 I CB 0.846 38.673 38.000 -0.289 0.000 1.427 463 I HN 0.560 nan 8.210 nan 0.000 0.537 464 L N 5.246 126.300 121.223 -0.281 0.000 2.386 464 L HA 0.460 4.801 4.340 0.001 0.000 0.271 464 L C -1.383 175.342 176.870 -0.241 0.000 0.993 464 L CA -0.760 53.957 54.840 -0.204 0.000 0.819 464 L CB 1.959 43.897 42.059 -0.200 0.000 1.294 464 L HN 0.383 nan 8.230 nan 0.000 0.414 465 Y N 1.667 122.059 120.300 0.153 0.000 2.409 465 Y HA 0.558 5.109 4.550 0.001 0.000 0.339 465 Y C -0.024 175.935 175.900 0.099 0.000 1.033 465 Y CA -0.637 57.556 58.100 0.155 0.000 1.094 465 Y CB 1.832 40.355 38.460 0.104 0.000 1.210 465 Y HN 0.407 nan 8.280 nan 0.000 0.456 466 R N 2.314 122.941 120.500 0.212 0.000 2.534 466 R HA 0.220 4.561 4.340 0.001 0.000 0.301 466 R C -0.498 175.804 176.300 0.005 0.000 0.961 466 R CA -0.728 55.330 56.100 -0.070 0.000 0.871 466 R CB 1.171 31.308 30.300 -0.272 0.000 1.170 466 R HN 0.746 nan 8.270 nan 0.000 0.446 467 E N 2.363 122.525 120.200 -0.062 0.000 2.452 467 E HA -0.004 4.347 4.350 0.001 0.000 0.261 467 E C 0.349 176.941 176.600 -0.014 0.000 0.987 467 E CA 1.713 58.097 56.400 -0.027 0.000 0.926 467 E CB 0.649 30.319 29.700 -0.050 0.000 0.934 467 E HN 0.911 nan 8.360 nan 0.000 0.452 468 G N 4.053 112.860 108.800 0.013 0.000 2.195 468 G HA2 -0.265 3.696 3.960 0.001 0.000 0.246 468 G HA3 -0.265 3.696 3.960 0.001 0.000 0.246 468 G C 0.012 174.945 174.900 0.055 0.000 0.984 468 G CA 0.426 45.540 45.100 0.023 0.000 0.633 468 G HN 0.553 nan 8.290 nan 0.000 0.525 469 E N -0.546 119.709 120.200 0.092 0.000 2.222 469 E HA 0.512 4.862 4.350 0.001 0.000 0.267 469 E C 0.693 177.394 176.600 0.168 0.000 0.884 469 E CA -0.680 55.806 56.400 0.144 0.000 0.764 469 E CB 1.978 31.816 29.700 0.229 0.000 1.169 469 E HN 0.136 nan 8.360 nan 0.000 0.413 470 K N 2.000 122.485 120.400 0.142 0.000 2.211 470 K HA 0.071 4.391 4.320 0.001 0.000 0.201 470 K C 0.801 177.521 176.600 0.201 0.000 1.052 470 K CA 0.443 56.816 56.287 0.143 0.000 0.973 470 K CB 0.032 32.586 32.500 0.090 0.000 0.766 470 K HN 0.606 nan 8.250 nan 0.000 0.466 471 G N 0.594 109.495 108.800 0.168 0.000 2.647 471 G HA2 0.270 4.230 3.960 0.001 0.000 0.234 471 G HA3 0.270 4.230 3.960 0.001 0.000 0.234 471 G C -0.796 174.220 174.900 0.193 0.000 1.252 471 G CA -0.038 45.138 45.100 0.127 0.000 0.846 471 G HN 0.366 nan 8.290 nan 0.000 0.589 472 A N 1.255 124.129 122.820 0.089 0.000 2.258 472 A HA 0.639 4.960 4.320 0.001 0.000 0.316 472 A C -0.630 176.929 177.584 -0.042 0.000 1.279 472 A CA -0.615 51.428 52.037 0.011 0.000 0.876 472 A CB 0.381 19.364 19.000 -0.029 0.000 1.170 472 A HN 0.564 nan 8.150 nan 0.000 0.520 473 Y N 1.099 121.317 120.300 -0.138 0.000 2.281 473 Y HA 0.479 5.030 4.550 0.001 0.000 0.337 473 Y C 1.469 177.264 175.900 -0.175 0.000 1.304 473 Y CA 0.604 58.621 58.100 -0.139 0.000 1.465 473 Y CB 1.151 39.481 38.460 -0.217 0.000 1.350 473 Y HN 0.719 nan 8.280 nan 0.000 0.575 474 T N -0.970 113.582 114.554 -0.003 0.000 2.909 474 T HA 0.654 5.005 4.350 0.001 0.000 0.299 474 T C -0.930 173.718 174.700 -0.087 0.000 1.073 474 T CA -0.849 61.216 62.100 -0.058 0.000 0.999 474 T CB 0.997 69.800 68.868 -0.108 0.000 1.098 474 T HN 0.417 nan 8.240 nan 0.000 0.477 475 I N 3.021 123.555 120.570 -0.060 0.000 2.297 475 I HA 0.393 4.564 4.170 0.001 0.000 0.291 475 I C 0.946 177.024 176.117 -0.065 0.000 1.033 475 I CA -0.753 60.520 61.300 -0.046 0.000 1.253 475 I CB 0.696 38.692 38.000 -0.007 0.000 1.396 475 I HN 0.505 nan 8.210 nan 0.000 0.476 476 R N 3.411 123.802 120.500 -0.181 0.000 2.936 476 R HA 0.440 4.781 4.340 0.001 0.000 0.218 476 R C -0.362 175.920 176.300 -0.030 0.000 1.528 476 R CA -1.138 54.776 56.100 -0.311 0.000 1.005 476 R CB 0.339 30.147 30.300 -0.821 0.000 2.099 476 R HN 0.320 nan 8.270 nan 0.000 0.527 477 E N 2.131 122.323 120.200 -0.013 0.000 2.568 477 E HA -0.102 4.248 4.350 0.001 0.000 0.262 477 E C -0.099 176.525 176.600 0.040 0.000 0.961 477 E CA 0.687 57.111 56.400 0.040 0.000 0.945 477 E CB -0.087 29.634 29.700 0.035 0.000 0.924 477 E HN 0.468 nan 8.360 nan 0.000 0.467 478 N N 1.804 120.524 118.700 0.032 0.000 2.815 478 N HA -0.258 4.482 4.740 0.001 0.000 0.247 478 N C 0.802 176.321 175.510 0.015 0.000 1.030 478 N CA 1.335 54.396 53.050 0.019 0.000 0.881 478 N CB -1.368 37.130 38.487 0.019 0.000 1.134 478 N HN 0.810 nan 8.380 nan 0.000 0.582 479 G N -1.629 107.184 108.800 0.023 0.000 2.159 479 G HA2 -0.327 3.634 3.960 0.001 0.000 0.256 479 G HA3 -0.327 3.634 3.960 0.001 0.000 0.256 479 G C 0.188 175.104 174.900 0.026 0.000 0.977 479 G CA 0.682 45.791 45.100 0.015 0.000 0.652 479 G HN 0.488 nan 8.290 nan 0.000 0.531 480 T N 1.121 115.710 114.554 0.058 0.000 2.853 480 T HA 0.401 4.751 4.350 0.001 0.000 0.298 480 T C 0.807 175.583 174.700 0.127 0.000 0.978 480 T CA 0.090 62.244 62.100 0.090 0.000 1.152 480 T CB 1.917 70.875 68.868 0.150 0.000 0.914 480 T HN 0.460 nan 8.240 nan 0.000 0.539 481 V N 4.876 124.816 119.914 0.045 0.000 2.488 481 V HA 0.249 4.370 4.120 0.001 0.000 0.277 481 V C -0.469 175.658 176.094 0.055 0.000 1.046 481 V CA -0.516 61.777 62.300 -0.011 0.000 0.986 481 V CB -0.102 31.573 31.823 -0.247 0.000 0.989 481 V HN 0.685 nan 8.190 nan 0.000 0.475 482 Y N 2.338 122.578 120.300 -0.101 0.000 2.387 482 Y HA 0.475 5.026 4.550 0.001 0.000 0.336 482 Y C 1.075 176.901 175.900 -0.123 0.000 1.067 482 Y CA -0.833 57.210 58.100 -0.096 0.000 1.114 482 Y CB 1.778 40.134 38.460 -0.174 0.000 1.208 482 Y HN 0.797 nan 8.280 nan 0.000 0.458 483 T N -0.059 114.439 114.554 -0.094 0.000 2.802 483 T HA 0.115 4.466 4.350 0.001 0.000 0.305 483 T C -1.971 172.479 174.700 -0.416 0.000 1.053 483 T CA -1.407 60.416 62.100 -0.462 0.000 1.058 483 T CB 0.894 69.611 68.868 -0.252 0.000 0.988 483 T HN 0.374 nan 8.240 nan 0.000 0.539 484 P HA -0.088 nan 4.420 nan 0.000 0.219 484 P C 1.131 178.349 177.300 -0.136 0.000 1.146 484 P CA 1.065 63.995 63.100 -0.284 0.000 0.808 484 P CB -0.044 31.509 31.700 -0.245 0.000 0.779 485 D N -2.165 118.162 120.400 -0.122 0.000 2.340 485 D HA 0.060 4.701 4.640 0.001 0.000 0.220 485 D C 1.136 177.426 176.300 -0.017 0.000 1.039 485 D CA 0.679 54.648 54.000 -0.052 0.000 0.866 485 D CB -0.548 40.228 40.800 -0.041 0.000 0.913 485 D HN 0.196 nan 8.370 nan 0.000 0.523 486 G N 0.791 109.590 108.800 -0.003 0.000 2.140 486 G HA2 -0.198 3.762 3.960 0.001 0.000 0.211 486 G HA3 -0.198 3.762 3.960 0.001 0.000 0.211 486 G C -0.189 174.819 174.900 0.181 0.000 1.013 486 G CA -0.405 44.752 45.100 0.095 0.000 0.705 486 G HN 0.222 nan 8.290 nan 0.000 0.508 487 K N 0.300 120.733 120.400 0.054 0.000 2.206 487 K HA 0.770 5.091 4.320 0.001 0.000 0.264 487 K C 0.534 176.900 176.600 -0.389 0.000 0.967 487 K CA -0.062 56.178 56.287 -0.078 0.000 0.844 487 K CB 1.890 34.350 32.500 -0.066 0.000 1.099 487 K HN 0.729 nan 8.250 nan 0.000 0.441 488 A N 2.190 124.570 122.820 -0.734 0.000 2.477 488 A HA 0.305 4.626 4.320 0.001 0.000 0.246 488 A C 0.727 178.056 177.584 -0.425 0.000 1.078 488 A CA 0.111 51.495 52.037 -1.088 0.000 0.770 488 A CB -0.157 18.326 19.000 -0.861 0.000 1.011 488 A HN 0.807 nan 8.150 nan 0.000 0.494 489 T N -1.526 112.859 114.554 -0.281 0.000 2.844 489 T HA 0.461 4.812 4.350 0.001 0.000 0.274 489 T C 0.283 174.958 174.700 -0.042 0.000 0.991 489 T CA 0.322 62.404 62.100 -0.031 0.000 0.983 489 T CB 1.197 70.193 68.868 0.214 0.000 1.310 489 T HN 0.414 nan 8.240 nan 0.000 0.596 490 D N -1.663 118.716 120.400 -0.034 0.000 2.349 490 D HA 0.181 4.822 4.640 0.001 0.000 0.214 490 D C -0.729 175.462 176.300 -0.182 0.000 1.063 490 D CA -0.322 53.592 54.000 -0.143 0.000 0.847 490 D CB -0.228 40.443 40.800 -0.215 0.000 0.933 490 D HN 0.477 nan 8.370 nan 0.000 0.513 491 Y N 0.582 120.901 120.300 0.032 0.000 2.320 491 Y HA 0.471 5.022 4.550 0.001 0.000 0.324 491 Y C 0.790 176.692 175.900 0.003 0.000 1.190 491 Y CA -0.570 57.563 58.100 0.056 0.000 1.215 491 Y CB 1.079 39.604 38.460 0.107 0.000 1.221 491 Y HN -0.299 nan 8.280 nan 0.000 0.486 492 R N 1.263 121.882 120.500 0.198 0.000 2.673 492 R HA 0.757 5.097 4.340 0.001 0.000 0.281 492 R C -2.278 174.095 176.300 0.121 0.000 0.991 492 R CA -0.690 55.473 56.100 0.106 0.000 0.896 492 R CB 1.640 31.973 30.300 0.055 0.000 1.201 492 R HN 0.566 nan 8.270 nan 0.000 0.457 493 V N 3.749 123.691 119.914 0.047 0.000 2.547 493 V HA 0.305 4.426 4.120 0.001 0.000 0.299 493 V C -0.097 176.007 176.094 0.017 0.000 1.040 493 V CA -0.863 61.451 62.300 0.024 0.000 0.913 493 V CB 1.914 33.711 31.823 -0.044 0.000 0.992 493 V HN 0.555 nan 8.190 nan 0.000 0.449 494 V N 5.969 125.904 119.914 0.034 0.000 2.364 494 V HA 0.020 4.141 4.120 0.001 0.000 0.252 494 V C 1.107 177.204 176.094 0.004 0.000 1.075 494 V CA 0.528 62.840 62.300 0.020 0.000 1.033 494 V CB 0.789 32.655 31.823 0.072 0.000 1.116 494 V HN 0.847 nan 8.190 nan 0.000 0.488 495 V N 0.213 120.123 119.914 -0.008 0.000 3.354 495 V HA 0.253 4.374 4.120 0.001 0.000 0.258 495 V C 0.522 176.601 176.094 -0.025 0.000 1.159 495 V CA 0.671 62.960 62.300 -0.019 0.000 1.125 495 V CB 0.038 31.854 31.823 -0.012 0.000 0.774 495 V HN 0.693 nan 8.190 nan 0.000 0.464 496 D N 3.002 123.400 120.400 -0.004 0.000 2.517 496 D HA 0.339 4.980 4.640 0.001 0.000 0.301 496 D C -2.620 173.717 176.300 0.062 0.000 1.202 496 D CA -1.059 52.947 54.000 0.010 0.000 0.910 496 D CB 1.089 41.895 40.800 0.009 0.000 1.021 496 D HN 0.400 nan 8.370 nan 0.000 0.499 497 P HA -0.027 nan 4.420 nan 0.000 0.267 497 P C 0.848 178.323 177.300 0.291 0.000 1.200 497 P CA -0.143 63.087 63.100 0.217 0.000 0.772 497 P CB 1.614 33.503 31.700 0.316 0.000 0.855 498 V N -1.159 118.852 119.914 0.163 0.000 3.451 498 V HA 0.276 4.396 4.120 0.001 0.000 0.288 498 V C 0.621 176.695 176.094 -0.035 0.000 1.502 498 V CA 0.089 62.437 62.300 0.080 0.000 1.026 498 V CB -0.450 31.404 31.823 0.051 0.000 0.840 498 V HN 0.235 nan 8.190 nan 0.000 0.437 499 K N 1.791 122.174 120.400 -0.028 0.000 2.168 499 K HA 0.432 4.752 4.320 0.001 0.000 0.258 499 K C -2.548 173.935 176.600 -0.195 0.000 1.010 499 K CA -1.753 54.495 56.287 -0.064 0.000 0.929 499 K CB 0.326 32.831 32.500 0.008 0.000 0.998 499 K HN 0.147 nan 8.250 nan 0.000 0.479 500 P HA -0.129 nan 4.420 nan 0.000 0.264 500 P C -0.328 176.872 177.300 -0.166 0.000 1.183 500 P CA 0.859 63.853 63.100 -0.176 0.000 0.763 500 P CB 0.528 32.182 31.700 -0.076 0.000 0.807 501 A N 3.539 126.229 122.820 -0.216 0.000 3.132 501 A HA -0.288 4.032 4.320 0.001 0.000 0.266 501 A C 0.605 178.236 177.584 0.080 0.000 1.216 501 A CA 1.155 53.162 52.037 -0.050 0.000 0.985 501 A CB -2.964 16.042 19.000 0.010 0.000 1.102 501 A HN 0.625 nan 8.150 nan 0.000 0.833 502 Y N -1.708 118.638 120.300 0.076 0.000 3.589 502 Y HA -0.295 4.256 4.550 0.001 0.000 0.218 502 Y C 1.601 177.572 175.900 0.119 0.000 1.234 502 Y CA 1.460 59.614 58.100 0.089 0.000 1.576 502 Y CB -2.591 35.922 38.460 0.088 0.000 1.487 502 Y HN 1.268 nan 8.280 nan 0.000 0.616 503 S N -0.868 114.933 115.700 0.168 0.000 2.547 503 S HA -0.149 4.321 4.470 0.001 0.000 0.235 503 S C 1.336 176.045 174.600 0.182 0.000 0.980 503 S CA 1.031 59.336 58.200 0.174 0.000 0.941 503 S CB -0.050 63.221 63.200 0.117 0.000 0.763 503 S HN 0.672 nan 8.310 nan 0.000 0.532 504 D N 0.540 121.044 120.400 0.173 0.000 2.349 504 D HA 0.070 4.711 4.640 0.001 0.000 0.214 504 D C 0.461 176.855 176.300 0.157 0.000 1.063 504 D CA -0.181 53.912 54.000 0.154 0.000 0.847 504 D CB -0.291 40.594 40.800 0.142 0.000 0.933 504 D HN 0.419 nan 8.370 nan 0.000 0.513 505 K N 0.589 121.118 120.400 0.216 0.000 2.451 505 K HA 0.238 4.558 4.320 0.001 0.000 0.280 505 K C 1.043 177.733 176.600 0.150 0.000 1.020 505 K CA 1.084 57.495 56.287 0.206 0.000 1.008 505 K CB 0.172 32.834 32.500 0.270 0.000 0.917 505 K HN 0.161 nan 8.250 nan 0.000 0.478 506 G N 2.981 111.740 108.800 -0.067 0.000 2.199 506 G HA2 -0.218 3.742 3.960 0.001 0.000 0.254 506 G HA3 -0.218 3.742 3.960 0.001 0.000 0.254 506 G C -0.364 174.318 174.900 -0.363 0.000 0.982 506 G CA 0.147 44.946 45.100 -0.502 0.000 0.632 506 G HN 0.739 nan 8.290 nan 0.000 0.529 507 D N 0.608 120.925 120.400 -0.138 0.000 2.488 507 D HA 0.319 4.959 4.640 0.001 0.000 0.238 507 D C 0.491 176.790 176.300 -0.001 0.000 1.138 507 D CA 0.074 54.024 54.000 -0.084 0.000 0.873 507 D CB 0.914 41.776 40.800 0.103 0.000 1.183 507 D HN 0.168 nan 8.370 nan 0.000 0.458 508 L N 4.400 125.574 121.223 -0.081 0.000 2.265 508 L HA 0.306 4.646 4.340 0.001 0.000 0.289 508 L C -1.220 175.666 176.870 0.027 0.000 1.033 508 L CA -0.468 54.390 54.840 0.031 0.000 0.814 508 L CB 0.057 42.122 42.059 0.010 0.000 1.203 508 L HN 0.321 nan 8.230 nan 0.000 0.423 509 Y N 4.212 124.558 120.300 0.075 0.000 2.496 509 Y HA 0.435 4.985 4.550 0.001 0.000 0.331 509 Y C 0.485 176.442 175.900 0.095 0.000 1.140 509 Y CA -0.646 57.494 58.100 0.067 0.000 1.166 509 Y CB 1.382 39.856 38.460 0.023 0.000 1.249 509 Y HN 0.344 nan 8.280 nan 0.000 0.479 510 K N 1.599 122.089 120.400 0.151 0.000 2.624 510 K HA 0.413 4.734 4.320 0.001 0.000 0.200 510 K C 0.377 176.953 176.600 -0.040 0.000 1.036 510 K CA 0.502 56.741 56.287 -0.080 0.000 1.029 510 K CB 0.353 32.775 32.500 -0.130 0.000 1.317 510 K HN 0.977 nan 8.250 nan 0.000 0.555 511 G N 3.574 112.363 108.800 -0.019 0.000 4.269 511 G HA2 -0.352 3.608 3.960 0.001 0.000 0.290 511 G HA3 -0.352 3.608 3.960 0.001 0.000 0.290 511 G C 0.280 175.211 174.900 0.051 0.000 1.570 511 G CA 0.444 45.538 45.100 -0.010 0.000 1.072 511 G HN 0.595 nan 8.290 nan 0.000 0.681 512 N N 0.111 118.867 118.700 0.094 0.000 2.143 512 N HA 0.189 4.930 4.740 0.001 0.000 0.229 512 N C 0.032 175.702 175.510 0.267 0.000 1.294 512 N CA 0.090 53.223 53.050 0.138 0.000 0.883 512 N CB 0.719 39.239 38.487 0.057 0.000 1.148 512 N HN 0.507 nan 8.380 nan 0.000 0.511 513 Q N 1.479 121.411 119.800 0.220 0.000 2.290 513 Q HA 0.274 4.615 4.340 0.001 0.000 0.259 513 Q C -0.996 174.939 176.000 -0.108 0.000 0.941 513 Q CA -0.752 55.108 55.803 0.095 0.000 0.912 513 Q CB 2.396 31.147 28.738 0.022 0.000 1.244 513 Q HN 0.298 nan 8.270 nan 0.000 0.441 514 L N 4.629 125.624 121.223 -0.380 0.000 2.369 514 L HA 0.109 4.450 4.340 0.001 0.000 0.279 514 L C 0.158 176.816 176.870 -0.354 0.000 1.108 514 L CA 0.792 55.130 54.840 -0.836 0.000 0.852 514 L CB 0.124 41.783 42.059 -0.667 0.000 1.169 514 L HN 0.778 nan 8.230 nan 0.000 0.452 515 L N 4.458 125.512 121.223 -0.282 0.000 2.362 515 L HA 0.484 4.825 4.340 0.001 0.000 0.204 515 L C 1.125 177.954 176.870 -0.069 0.000 1.060 515 L CA 0.594 55.373 54.840 -0.101 0.000 0.827 515 L CB 0.021 42.080 42.059 -0.000 0.000 1.027 515 L HN 0.848 nan 8.230 nan 0.000 0.474 516 G N -1.010 107.722 108.800 -0.113 0.000 2.529 516 G HA2 0.163 4.123 3.960 0.001 0.000 0.238 516 G HA3 0.163 4.123 3.960 0.001 0.000 0.238 516 G C -1.954 172.768 174.900 -0.297 0.000 1.207 516 G CA -0.461 44.589 45.100 -0.084 0.000 0.928 516 G HN 0.049 nan 8.290 nan 0.000 0.495 517 N N -0.702 117.654 118.700 -0.574 0.000 2.287 517 N HA 0.390 5.130 4.740 0.001 0.000 0.289 517 N C 1.197 176.336 175.510 -0.617 0.000 1.066 517 N CA -0.542 51.997 53.050 -0.853 0.000 0.841 517 N CB 1.870 39.348 38.487 -1.682 0.000 1.599 517 N HN 0.652 nan 8.380 nan 0.000 0.476 518 I N -0.157 120.114 120.570 -0.498 0.000 3.083 518 I HA -0.060 4.111 4.170 0.001 0.000 0.273 518 I C 0.114 176.146 176.117 -0.142 0.000 1.297 518 I CA 0.941 62.062 61.300 -0.299 0.000 1.452 518 I CB -0.302 37.508 38.000 -0.317 0.000 1.078 518 I HN 0.588 nan 8.210 nan 0.000 0.484 519 Y N 0.292 120.551 120.300 -0.069 0.000 2.457 519 Y HA 0.338 4.889 4.550 0.001 0.000 0.263 519 Y C 0.915 176.987 175.900 0.286 0.000 1.164 519 Y CA -0.777 57.374 58.100 0.086 0.000 1.274 519 Y CB 0.066 38.586 38.460 0.101 0.000 1.097 519 Y HN 0.010 nan 8.280 nan 0.000 0.523 520 F N 1.076 121.127 119.950 0.168 0.000 2.399 520 F HA 0.088 4.616 4.527 0.001 0.000 0.342 520 F C 1.273 177.128 175.800 0.091 0.000 1.106 520 F CA -0.198 57.868 58.000 0.111 0.000 1.196 520 F CB 1.394 40.432 39.000 0.064 0.000 1.163 520 F HN -0.037 nan 8.300 nan 0.000 0.547 521 T N -2.793 111.910 114.554 0.248 0.000 2.975 521 T HA 0.099 4.449 4.350 0.001 0.000 0.261 521 T C 0.298 175.047 174.700 0.081 0.000 0.984 521 T CA 0.108 62.297 62.100 0.148 0.000 0.911 521 T CB 0.184 69.125 68.868 0.122 0.000 1.127 521 T HN 0.615 nan 8.240 nan 0.000 0.514 522 T N -0.230 114.356 114.554 0.053 0.000 2.907 522 T HA 0.483 4.834 4.350 0.001 0.000 0.292 522 T C -0.294 174.404 174.700 -0.004 0.000 1.043 522 T CA -0.606 61.500 62.100 0.009 0.000 1.003 522 T CB 0.993 69.849 68.868 -0.020 0.000 1.084 522 T HN 0.262 nan 8.240 nan 0.000 0.483 523 N N 0.820 119.515 118.700 -0.009 0.000 2.708 523 N HA -0.176 4.564 4.740 0.001 0.000 0.251 523 N C -0.487 175.029 175.510 0.010 0.000 1.017 523 N CA 0.328 53.370 53.050 -0.013 0.000 0.742 523 N CB -0.928 37.539 38.487 -0.034 0.000 0.943 523 N HN 0.622 nan 8.380 nan 0.000 0.539 524 K N 0.052 120.475 120.400 0.039 0.000 2.414 524 K HA 0.028 4.349 4.320 0.001 0.000 0.272 524 K C 1.553 178.182 176.600 0.049 0.000 0.993 524 K CA 0.917 57.255 56.287 0.084 0.000 0.964 524 K CB 0.407 32.950 32.500 0.073 0.000 0.925 524 K HN 0.280 nan 8.250 nan 0.000 0.487 525 T N -3.049 111.550 114.554 0.075 0.000 3.010 525 T HA 0.022 4.372 4.350 0.001 0.000 0.257 525 T C 0.694 175.397 174.700 0.004 0.000 1.020 525 T CA -0.354 61.767 62.100 0.036 0.000 0.938 525 T CB 0.160 69.060 68.868 0.053 0.000 1.049 525 T HN 0.501 nan 8.240 nan 0.000 0.522 526 S N 1.129 116.823 115.700 -0.010 0.000 2.689 526 S HA 0.651 5.122 4.470 0.001 0.000 0.306 526 S C -2.584 171.898 174.600 -0.197 0.000 1.104 526 S CA -1.372 56.785 58.200 -0.071 0.000 0.973 526 S CB 1.857 65.034 63.200 -0.040 0.000 1.121 526 S HN -0.084 nan 8.310 nan 0.000 0.523 527 P HA 0.348 nan 4.420 nan 0.000 0.251 527 P C -0.875 175.887 177.300 -0.897 0.000 1.223 527 P CA 0.280 62.929 63.100 -0.751 0.000 0.796 527 P CB -0.057 30.962 31.700 -1.135 0.000 1.068 528 F N 0.881 120.681 119.950 -0.249 0.000 2.522 528 F HA 0.577 5.105 4.527 0.001 0.000 0.324 528 F C 0.884 176.614 175.800 -0.117 0.000 1.077 528 F CA -1.082 56.781 58.000 -0.229 0.000 0.944 528 F CB 1.752 40.560 39.000 -0.320 0.000 1.175 528 F HN -0.311 nan 8.300 nan 0.000 0.468 529 R N 2.250 122.846 120.500 0.159 0.000 2.707 529 R HA 0.780 5.121 4.340 0.001 0.000 0.272 529 R C -1.234 175.170 176.300 0.173 0.000 1.011 529 R CA -1.008 55.176 56.100 0.140 0.000 0.893 529 R CB 1.704 32.099 30.300 0.159 0.000 1.233 529 R HN 0.734 nan 8.270 nan 0.000 0.464 530 I N -0.062 120.612 120.570 0.173 0.000 3.211 530 I HA 0.574 4.745 4.170 0.001 0.000 0.297 530 I C 0.452 176.757 176.117 0.314 0.000 1.095 530 I CA -0.882 60.528 61.300 0.183 0.000 1.239 530 I CB 0.690 38.790 38.000 0.168 0.000 1.455 530 I HN 0.794 nan 8.210 nan 0.000 0.630 531 A N 2.368 125.399 122.820 0.352 0.000 2.498 531 A HA 0.119 4.440 4.320 0.001 0.000 0.239 531 A C 0.314 178.093 177.584 0.326 0.000 1.068 531 A CA -0.329 51.950 52.037 0.405 0.000 0.766 531 A CB 0.048 19.255 19.000 0.345 0.000 1.003 531 A HN 0.783 nan 8.150 nan 0.000 0.497 532 K N 1.853 122.380 120.400 0.211 0.000 2.278 532 K HA 0.277 4.598 4.320 0.001 0.000 0.289 532 K C -1.039 175.639 176.600 0.130 0.000 1.080 532 K CA 0.042 56.438 56.287 0.183 0.000 0.934 532 K CB 0.063 32.626 32.500 0.105 0.000 1.093 532 K HN 0.832 nan 8.250 nan 0.000 0.459 533 D N 1.031 121.519 120.400 0.147 0.000 2.779 533 D HA 0.113 4.753 4.640 0.001 0.000 0.331 533 D C -1.687 174.524 176.300 -0.149 0.000 1.331 533 D CA -0.447 53.516 54.000 -0.062 0.000 0.866 533 D CB 1.669 42.291 40.800 -0.297 0.000 1.409 533 D HN 0.286 nan 8.370 nan 0.000 0.486 534 S N 0.287 115.787 115.700 -0.334 0.000 2.480 534 S HA 0.655 5.126 4.470 0.001 0.000 0.286 534 S C -1.256 172.885 174.600 -0.764 0.000 1.180 534 S CA -0.322 57.513 58.200 -0.609 0.000 1.075 534 S CB -0.024 63.022 63.200 -0.256 0.000 0.996 534 S HN 0.307 nan 8.310 nan 0.000 0.487 535 Y N 2.354 122.307 120.300 -0.579 0.000 2.630 535 Y HA 0.726 5.277 4.550 0.001 0.000 0.337 535 Y C -0.517 175.132 175.900 -0.418 0.000 1.051 535 Y CA -1.195 56.689 58.100 -0.360 0.000 1.121 535 Y CB 1.499 39.797 38.460 -0.269 0.000 1.299 535 Y HN 0.570 nan 8.280 nan 0.000 0.498 536 L N 1.526 122.723 121.223 -0.044 0.000 2.406 536 L HA 0.526 4.867 4.340 0.001 0.000 0.272 536 L C -1.903 175.012 176.870 0.074 0.000 0.980 536 L CA -0.615 54.146 54.840 -0.132 0.000 0.831 536 L CB 0.701 42.634 42.059 -0.210 0.000 1.253 536 L HN 0.531 nan 8.230 nan 0.000 0.406 537 W N 5.534 126.582 121.300 -0.420 0.000 2.655 537 W HA 0.751 5.411 4.660 0.001 0.000 0.358 537 W C -0.239 175.851 176.519 -0.714 0.000 1.100 537 W CA -1.027 56.010 57.345 -0.515 0.000 1.195 537 W CB 1.639 30.790 29.460 -0.515 0.000 1.403 537 W HN 0.272 nan 8.180 nan 0.000 0.589 538 M N 1.757 121.195 119.600 -0.270 0.000 2.371 538 M HA 0.490 4.971 4.480 0.001 0.000 0.287 538 M C -1.597 174.760 176.300 0.094 0.000 1.149 538 M CA -0.153 55.064 55.300 -0.138 0.000 0.929 538 M CB 2.040 34.605 32.600 -0.059 0.000 1.683 538 M HN 0.354 nan 8.290 nan 0.000 0.470 539 S N 3.873 119.760 115.700 0.311 0.000 2.548 539 S HA 0.846 5.316 4.470 0.001 0.000 0.286 539 S C -1.550 173.405 174.600 0.591 0.000 1.098 539 S CA -0.519 57.907 58.200 0.376 0.000 0.930 539 S CB 1.827 65.283 63.200 0.425 0.000 1.070 539 S HN 0.625 nan 8.310 nan 0.000 0.480 540 Y N -0.726 119.799 120.300 0.374 0.000 2.576 540 Y HA 0.868 5.418 4.550 0.001 0.000 0.346 540 Y C -0.498 175.271 175.900 -0.219 0.000 1.018 540 Y CA -1.153 56.982 58.100 0.058 0.000 1.050 540 Y CB 1.258 39.597 38.460 -0.201 0.000 1.280 540 Y HN 0.517 nan 8.280 nan 0.000 0.474 541 S N 0.697 116.137 115.700 -0.433 0.000 2.557 541 S HA 0.404 4.875 4.470 0.001 0.000 0.291 541 S C -0.970 173.442 174.600 -0.312 0.000 1.116 541 S CA -0.640 57.172 58.200 -0.647 0.000 0.992 541 S CB 1.022 63.357 63.200 -1.442 0.000 1.028 541 S HN 0.778 nan 8.310 nan 0.000 0.484 542 D N 2.355 122.650 120.400 -0.176 0.000 2.395 542 D HA 0.152 4.793 4.640 0.001 0.000 0.213 542 D C -0.303 175.925 176.300 -0.120 0.000 1.110 542 D CA 0.235 54.169 54.000 -0.110 0.000 0.835 542 D CB 0.504 41.289 40.800 -0.025 0.000 0.965 542 D HN 0.746 nan 8.370 nan 0.000 0.505 543 D N -0.220 120.080 120.400 -0.167 0.000 2.957 543 D HA 0.105 4.746 4.640 0.001 0.000 0.352 543 D C -0.024 176.201 176.300 -0.125 0.000 1.352 543 D CA -0.614 53.314 54.000 -0.121 0.000 0.831 543 D CB 0.136 40.881 40.800 -0.092 0.000 1.147 543 D HN -0.263 nan 8.370 nan 0.000 0.467 544 D N 0.087 120.406 120.400 -0.133 0.000 2.870 544 D HA -0.152 4.489 4.640 0.001 0.000 0.228 544 D C 1.317 177.566 176.300 -0.084 0.000 1.147 544 D CA 1.992 55.938 54.000 -0.090 0.000 0.757 544 D CB -1.208 39.563 40.800 -0.048 0.000 1.091 544 D HN 0.792 nan 8.370 nan 0.000 0.429 545 G N -0.984 107.679 108.800 -0.228 0.000 2.176 545 G HA2 -0.412 3.549 3.960 0.001 0.000 0.253 545 G HA3 -0.412 3.549 3.960 0.001 0.000 0.253 545 G C 1.141 176.055 174.900 0.023 0.000 0.979 545 G CA 0.800 45.802 45.100 -0.164 0.000 0.641 545 G HN 0.546 nan 8.290 nan 0.000 0.530 546 K N 0.059 120.428 120.400 -0.051 0.000 2.062 546 K HA 0.115 4.436 4.320 0.001 0.000 0.205 546 K C 1.473 178.125 176.600 0.087 0.000 1.051 546 K CA 1.588 57.904 56.287 0.048 0.000 0.941 546 K CB -0.061 32.444 32.500 0.008 0.000 0.719 546 K HN 0.676 nan 8.250 nan 0.000 0.440 547 T N -2.289 112.225 114.554 -0.066 0.000 2.906 547 T HA 0.516 4.867 4.350 0.001 0.000 0.295 547 T C -1.403 173.178 174.700 -0.199 0.000 1.061 547 T CA -0.995 61.124 62.100 0.032 0.000 1.000 547 T CB 1.306 70.189 68.868 0.024 0.000 1.103 547 T HN 0.101 nan 8.240 nan 0.000 0.486 548 W N 1.037 122.371 121.300 0.057 0.000 2.936 548 W HA 0.640 5.301 4.660 0.001 0.000 0.338 548 W C 0.530 177.045 176.519 -0.006 0.000 1.121 548 W CA -0.722 56.632 57.345 0.015 0.000 1.209 548 W CB 1.888 31.398 29.460 0.083 0.000 1.420 548 W HN 1.019 nan 8.180 nan 0.000 0.516 549 S N 1.271 116.903 115.700 -0.115 0.000 2.634 549 S HA 0.757 5.227 4.470 0.001 0.000 0.261 549 S C 0.258 174.615 174.600 -0.404 0.000 1.271 549 S CA -0.601 57.412 58.200 -0.312 0.000 0.985 549 S CB 0.625 63.281 63.200 -0.905 0.000 0.968 549 S HN 0.737 nan 8.310 nan 0.000 0.568 550 A N 1.173 123.595 122.820 -0.663 0.000 2.386 550 A HA 0.552 4.873 4.320 0.001 0.000 0.248 550 A C -2.420 174.827 177.584 -0.562 0.000 1.082 550 A CA -1.489 49.868 52.037 -1.134 0.000 0.789 550 A CB -1.064 17.505 19.000 -0.719 0.000 1.025 550 A HN 0.688 nan 8.150 nan 0.000 0.490 551 P HA 0.096 nan 4.420 nan 0.000 0.265 551 P C -0.659 176.366 177.300 -0.459 0.000 1.193 551 P CA 0.246 63.132 63.100 -0.357 0.000 0.765 551 P CB 0.399 31.845 31.700 -0.423 0.000 0.823 552 Q N 2.210 121.812 119.800 -0.331 0.000 2.322 552 Q HA 0.224 4.565 4.340 0.001 0.000 0.265 552 Q C -0.982 174.809 176.000 -0.349 0.000 0.985 552 Q CA -0.732 54.913 55.803 -0.263 0.000 0.849 552 Q CB 0.999 29.718 28.738 -0.032 0.000 1.274 552 Q HN 0.275 nan 8.270 nan 0.000 0.449 553 D N 4.490 124.683 120.400 -0.345 0.000 2.393 553 D HA 0.096 4.737 4.640 0.001 0.000 0.232 553 D C 0.786 177.059 176.300 -0.046 0.000 1.192 553 D CA -0.230 53.670 54.000 -0.166 0.000 0.882 553 D CB 0.363 41.137 40.800 -0.044 0.000 1.038 553 D HN 0.663 nan 8.370 nan 0.000 0.499 554 I N 0.306 120.848 120.570 -0.046 0.000 3.793 554 I HA 0.047 4.218 4.170 0.001 0.000 0.315 554 I C 1.255 177.306 176.117 -0.109 0.000 1.275 554 I CA -0.295 60.947 61.300 -0.097 0.000 1.214 554 I CB -0.126 37.739 38.000 -0.224 0.000 1.018 554 I HN 0.056 nan 8.210 nan 0.000 0.439 555 T N 3.026 117.563 114.554 -0.029 0.000 2.624 555 T HA -0.112 4.239 4.350 0.001 0.000 0.268 555 T C -0.208 174.374 174.700 -0.195 0.000 1.041 555 T CA 2.178 64.249 62.100 -0.049 0.000 1.159 555 T CB -1.719 67.270 68.868 0.202 0.000 0.863 555 T HN 0.432 nan 8.240 nan 0.000 0.434 556 P HA -0.025 nan 4.420 nan 0.000 0.223 556 P C 1.293 178.427 177.300 -0.275 0.000 1.144 556 P CA 1.172 63.964 63.100 -0.513 0.000 0.783 556 P CB -0.239 30.960 31.700 -0.835 0.000 0.771 557 M N -0.832 118.645 119.600 -0.206 0.000 2.447 557 M HA -0.017 4.463 4.480 0.001 0.000 0.264 557 M C 1.715 177.940 176.300 -0.125 0.000 1.095 557 M CA 1.172 56.381 55.300 -0.151 0.000 1.125 557 M CB 0.078 32.601 32.600 -0.128 0.000 1.389 557 M HN -0.105 nan 8.290 nan 0.000 0.459 558 V N -4.209 115.623 119.914 -0.137 0.000 3.485 558 V HA 0.268 4.388 4.120 0.001 0.000 0.280 558 V C 0.438 176.437 176.094 -0.158 0.000 1.495 558 V CA -0.367 61.861 62.300 -0.120 0.000 1.018 558 V CB -0.174 31.581 31.823 -0.113 0.000 0.818 558 V HN 0.118 nan 8.190 nan 0.000 0.436 559 K N 2.310 122.595 120.400 -0.192 0.000 2.285 559 K HA 0.710 5.031 4.320 0.001 0.000 0.286 559 K C 0.338 176.781 176.600 -0.261 0.000 1.072 559 K CA 0.223 56.359 56.287 -0.252 0.000 0.913 559 K CB 1.181 33.538 32.500 -0.239 0.000 1.067 559 K HN 0.582 nan 8.250 nan 0.000 0.479 560 A N 3.522 126.108 122.820 -0.390 0.000 2.366 560 A HA 0.075 4.396 4.320 0.001 0.000 0.249 560 A C 0.453 177.802 177.584 -0.391 0.000 1.084 560 A CA -0.342 51.453 52.037 -0.404 0.000 0.794 560 A CB 0.284 18.901 19.000 -0.637 0.000 1.034 560 A HN 0.906 nan 8.150 nan 0.000 0.491 561 D N 0.685 120.978 120.400 -0.178 0.000 2.263 561 D HA -0.143 4.497 4.640 0.001 0.000 0.208 561 D C 1.566 177.862 176.300 -0.008 0.000 0.971 561 D CA 1.625 55.591 54.000 -0.056 0.000 0.867 561 D CB -0.109 40.717 40.800 0.043 0.000 0.929 561 D HN 0.903 nan 8.370 nan 0.000 0.492 562 W N 0.241 121.558 121.300 0.028 0.000 2.863 562 W HA 0.196 4.857 4.660 0.001 0.000 0.258 562 W C 0.400 176.940 176.519 0.036 0.000 1.298 562 W CA -0.451 56.913 57.345 0.032 0.000 1.451 562 W CB -0.644 28.839 29.460 0.039 0.000 1.107 562 W HN -0.185 nan 8.180 nan 0.000 0.641 563 M N 2.386 121.647 119.600 -0.565 0.000 2.238 563 M HA 0.067 4.548 4.480 0.001 0.000 0.350 563 M C 1.250 177.473 176.300 -0.128 0.000 1.321 563 M CA 0.737 55.733 55.300 -0.508 0.000 1.097 563 M CB 1.537 33.660 32.600 -0.795 0.000 1.713 563 M HN -0.101 nan 8.290 nan 0.000 0.455 564 K N 3.219 123.642 120.400 0.040 0.000 2.139 564 K HA 0.173 4.494 4.320 0.001 0.000 0.217 564 K C 0.043 176.689 176.600 0.078 0.000 1.025 564 K CA 0.141 56.468 56.287 0.066 0.000 0.947 564 K CB 0.206 32.784 32.500 0.131 0.000 0.897 564 K HN 0.494 nan 8.250 nan 0.000 0.457 565 F N 1.870 121.849 119.950 0.047 0.000 2.384 565 F HA 0.457 4.984 4.527 0.001 0.000 0.338 565 F C -1.108 174.618 175.800 -0.123 0.000 1.103 565 F CA -0.953 57.050 58.000 0.006 0.000 1.157 565 F CB 1.127 40.175 39.000 0.080 0.000 1.167 565 F HN 0.081 nan 8.300 nan 0.000 0.529 566 L N 5.886 126.367 121.223 -1.237 0.000 2.541 566 L HA 0.785 5.126 4.340 0.001 0.000 0.266 566 L C -0.934 175.108 176.870 -1.381 0.000 0.966 566 L CA 0.034 54.214 54.840 -1.100 0.000 0.871 566 L CB 1.365 43.072 42.059 -0.586 0.000 1.232 566 L HN 0.790 nan 8.230 nan 0.000 0.408 567 G N 2.716 110.650 108.800 -1.443 0.000 2.694 567 G HA2 0.627 4.588 3.960 0.001 0.000 0.290 567 G HA3 0.627 4.588 3.960 0.001 0.000 0.290 567 G C -1.014 173.758 174.900 -0.214 0.000 1.386 567 G CA -0.170 44.497 45.100 -0.721 0.000 0.872 567 G HN 0.951 nan 8.290 nan 0.000 0.475 568 V N -1.443 118.485 119.914 0.024 0.000 2.953 568 V HA 0.812 4.932 4.120 0.001 0.000 0.304 568 V C 0.782 177.087 176.094 0.352 0.000 1.073 568 V CA -0.042 62.349 62.300 0.151 0.000 1.064 568 V CB 1.413 33.305 31.823 0.114 0.000 1.047 568 V HN 1.228 nan 8.190 nan 0.000 0.478 569 G N 3.299 112.278 108.800 0.298 0.000 2.696 569 G HA2 0.526 4.487 3.960 0.001 0.000 0.329 569 G HA3 0.526 4.487 3.960 0.001 0.000 0.329 569 G C -2.150 172.866 174.900 0.193 0.000 0.973 569 G CA -1.330 43.918 45.100 0.246 0.000 1.257 569 G HN 0.804 nan 8.290 nan 0.000 0.456 570 P HA 0.168 nan 4.420 nan 0.000 0.263 570 P C 0.834 178.237 177.300 0.170 0.000 1.168 570 P CA 1.130 64.357 63.100 0.211 0.000 0.759 570 P CB 1.374 33.244 31.700 0.283 0.000 0.782 571 G N 2.219 111.126 108.800 0.179 0.000 2.240 571 G HA2 0.063 4.024 3.960 0.001 0.000 0.199 571 G HA3 0.063 4.024 3.960 0.001 0.000 0.199 571 G C -1.402 173.614 174.900 0.193 0.000 1.342 571 G CA -0.488 44.717 45.100 0.175 0.000 1.145 571 G HN 0.558 nan 8.290 nan 0.000 0.477 572 T N 0.966 115.640 114.554 0.199 0.000 2.812 572 T HA 0.671 5.021 4.350 0.001 0.000 0.282 572 T C 0.738 175.568 174.700 0.218 0.000 0.990 572 T CA 0.419 62.650 62.100 0.218 0.000 0.960 572 T CB 1.295 70.299 68.868 0.225 0.000 0.948 572 T HN 1.273 nan 8.240 nan 0.000 0.438 573 G N 1.989 110.926 108.800 0.228 0.000 2.588 573 G HA2 0.747 4.707 3.960 0.001 0.000 0.278 573 G HA3 0.747 4.707 3.960 0.001 0.000 0.278 573 G C -0.239 174.799 174.900 0.230 0.000 1.307 573 G CA -0.721 44.517 45.100 0.229 0.000 1.016 573 G HN 0.913 nan 8.290 nan 0.000 0.503 574 I N -4.084 116.620 120.570 0.224 0.000 3.174 574 I HA 0.763 4.934 4.170 0.001 0.000 0.313 574 I C -1.253 174.976 176.117 0.187 0.000 1.155 574 I CA -1.289 60.132 61.300 0.203 0.000 0.977 574 I CB 2.285 40.399 38.000 0.190 0.000 1.248 574 I HN 0.283 nan 8.210 nan 0.000 0.453 575 V N 3.574 123.584 119.914 0.160 0.000 2.487 575 V HA 0.383 4.504 4.120 0.001 0.000 0.298 575 V C 0.148 176.301 176.094 0.100 0.000 1.028 575 V CA -0.652 61.728 62.300 0.135 0.000 0.860 575 V CB 1.566 33.475 31.823 0.142 0.000 0.991 575 V HN 0.537 nan 8.190 nan 0.000 0.427 576 L N 5.189 126.460 121.223 0.080 0.000 2.540 576 L HA 0.202 4.543 4.340 0.001 0.000 0.276 576 L C 1.540 178.435 176.870 0.040 0.000 1.212 576 L CA 0.295 55.167 54.840 0.054 0.000 0.893 576 L CB 0.196 42.283 42.059 0.047 0.000 1.138 576 L HN 0.713 nan 8.230 nan 0.000 0.491 577 R N 1.890 122.400 120.500 0.016 0.000 2.189 577 R HA 0.053 4.393 4.340 0.001 0.000 0.203 577 R C 0.061 176.360 176.300 -0.002 0.000 1.012 577 R CA 0.506 56.610 56.100 0.006 0.000 1.015 577 R CB -0.011 30.275 30.300 -0.023 0.000 0.938 577 R HN 0.813 nan 8.270 nan 0.000 0.472 578 N N -1.093 117.601 118.700 -0.009 0.000 2.902 578 N HA 0.532 5.273 4.740 0.001 0.000 0.268 578 N C -0.331 175.168 175.510 -0.020 0.000 1.450 578 N CA -0.144 52.896 53.050 -0.016 0.000 0.819 578 N CB 1.304 39.779 38.487 -0.021 0.000 1.540 578 N HN 0.046 nan 8.380 nan 0.000 0.545 579 G N -1.077 107.701 108.800 -0.037 0.000 2.757 579 G HA2 -0.113 3.848 3.960 0.001 0.000 0.638 579 G HA3 -0.113 3.848 3.960 0.001 0.000 0.638 579 G C -1.976 172.851 174.900 -0.122 0.000 1.344 579 G CA -0.342 44.719 45.100 -0.065 0.000 0.855 579 G HN 0.692 nan 8.290 nan 0.000 0.537 580 P HA -0.013 nan 4.420 nan 0.000 0.230 580 P C 0.539 177.558 177.300 -0.469 0.000 1.158 580 P CA 1.262 64.139 63.100 -0.371 0.000 0.769 580 P CB 0.019 31.428 31.700 -0.485 0.000 0.807 581 H N -0.823 118.203 119.070 -0.073 0.000 2.486 581 H HA 0.213 4.770 4.556 0.001 0.000 0.284 581 H C 0.700 175.991 175.328 -0.062 0.000 1.103 581 H CA -0.567 55.429 56.048 -0.086 0.000 1.089 581 H CB 0.231 29.916 29.762 -0.129 0.000 1.603 581 H HN 0.223 nan 8.280 nan 0.000 0.557 582 K N 0.691 121.098 120.400 0.011 0.000 2.489 582 K HA 0.093 4.414 4.320 0.001 0.000 0.278 582 K C 1.014 177.627 176.600 0.023 0.000 1.000 582 K CA 1.225 57.522 56.287 0.016 0.000 1.012 582 K CB 0.219 32.718 32.500 -0.002 0.000 0.903 582 K HN 0.491 nan 8.250 nan 0.000 0.485 583 G N 3.176 111.999 108.800 0.038 0.000 2.213 583 G HA2 -0.301 3.660 3.960 0.001 0.000 0.236 583 G HA3 -0.301 3.660 3.960 0.001 0.000 0.236 583 G C 0.111 175.018 174.900 0.013 0.000 0.991 583 G CA 0.261 45.386 45.100 0.042 0.000 0.629 583 G HN 0.725 nan 8.290 nan 0.000 0.517 584 R N 0.850 121.361 120.500 0.018 0.000 2.537 584 R HA 0.504 4.845 4.340 0.001 0.000 0.280 584 R C 0.193 176.527 176.300 0.057 0.000 1.058 584 R CA -0.307 55.802 56.100 0.016 0.000 1.057 584 R CB 0.065 30.370 30.300 0.008 0.000 0.973 584 R HN 0.292 nan 8.270 nan 0.000 0.438 585 I N 6.107 126.709 120.570 0.053 0.000 2.342 585 I HA 0.194 4.365 4.170 0.001 0.000 0.291 585 I C -0.196 176.064 176.117 0.239 0.000 1.010 585 I CA -0.461 60.919 61.300 0.133 0.000 1.308 585 I CB 1.181 39.225 38.000 0.074 0.000 1.400 585 I HN 0.435 nan 8.210 nan 0.000 0.488 586 L N 7.061 128.434 121.223 0.249 0.000 2.322 586 L HA 0.559 4.900 4.340 0.001 0.000 0.281 586 L C -0.691 176.344 176.870 0.276 0.000 1.014 586 L CA -0.725 54.281 54.840 0.276 0.000 0.815 586 L CB 1.896 44.091 42.059 0.226 0.000 1.247 586 L HN 0.415 nan 8.230 nan 0.000 0.421 587 I N 4.129 124.862 120.570 0.272 0.000 2.439 587 I HA 0.363 4.533 4.170 0.001 0.000 0.285 587 I C -2.390 173.837 176.117 0.183 0.000 1.021 587 I CA -2.413 59.004 61.300 0.194 0.000 1.091 587 I CB 1.766 39.817 38.000 0.085 0.000 1.242 587 I HN 0.194 nan 8.210 nan 0.000 0.439 588 P HA 0.216 nan 4.420 nan 0.000 0.268 588 P C -0.472 176.931 177.300 0.172 0.000 1.204 588 P CA 0.096 63.305 63.100 0.181 0.000 0.768 588 P CB 0.906 32.707 31.700 0.169 0.000 0.842 589 V N 1.420 121.445 119.914 0.185 0.000 3.206 589 V HA 0.850 4.970 4.120 0.001 0.000 0.305 589 V C -1.505 174.772 176.094 0.305 0.000 1.257 589 V CA -1.180 61.235 62.300 0.192 0.000 1.057 589 V CB 1.921 33.770 31.823 0.044 0.000 1.075 589 V HN 0.630 nan 8.190 nan 0.000 0.443 590 Y N -0.886 119.438 120.300 0.039 0.000 2.609 590 Y HA 0.934 5.485 4.550 0.001 0.000 0.336 590 Y C -0.456 175.489 175.900 0.076 0.000 1.129 590 Y CA -0.167 57.990 58.100 0.094 0.000 1.040 590 Y CB 1.641 40.196 38.460 0.158 0.000 1.310 590 Y HN 1.148 nan 8.280 nan 0.000 0.460 591 T N -1.097 113.570 114.554 0.189 0.000 2.864 591 T HA 0.842 5.193 4.350 0.001 0.000 0.289 591 T C -0.585 174.313 174.700 0.330 0.000 1.082 591 T CA -0.261 61.906 62.100 0.113 0.000 1.009 591 T CB 1.589 70.494 68.868 0.061 0.000 1.234 591 T HN 1.272 nan 8.240 nan 0.000 0.526 592 T N -0.671 114.099 114.554 0.359 0.000 2.901 592 T HA 0.741 5.092 4.350 0.001 0.000 0.293 592 T C -0.720 174.240 174.700 0.434 0.000 1.084 592 T CA -0.940 61.394 62.100 0.390 0.000 1.008 592 T CB 1.504 70.618 68.868 0.410 0.000 1.170 592 T HN 1.026 nan 8.240 nan 0.000 0.509 593 N N 0.173 119.113 118.700 0.400 0.000 2.619 593 N HA 0.405 5.145 4.740 0.001 0.000 0.294 593 N C 0.210 175.880 175.510 0.266 0.000 1.279 593 N CA -1.132 52.156 53.050 0.396 0.000 0.867 593 N CB 0.364 39.033 38.487 0.303 0.000 1.329 593 N HN 0.507 nan 8.380 nan 0.000 0.557 594 N N -0.841 117.983 118.700 0.207 0.000 2.467 594 N HA 0.020 4.761 4.740 0.001 0.000 0.184 594 N C 0.898 176.465 175.510 0.096 0.000 1.106 594 N CA 0.257 53.377 53.050 0.117 0.000 0.892 594 N CB 0.094 38.638 38.487 0.095 0.000 0.969 594 N HN 0.323 nan 8.380 nan 0.000 0.454 595 V N 0.492 120.469 119.914 0.105 0.000 2.346 595 V HA -0.077 4.044 4.120 0.001 0.000 0.244 595 V C 1.872 178.017 176.094 0.085 0.000 1.037 595 V CA 1.963 64.308 62.300 0.074 0.000 1.029 595 V CB -0.145 31.709 31.823 0.052 0.000 0.663 595 V HN 0.396 nan 8.190 nan 0.000 0.454 596 S N -3.143 112.627 115.700 0.117 0.000 2.817 596 S HA 0.187 4.657 4.470 0.001 0.000 0.262 596 S C 0.743 175.453 174.600 0.182 0.000 1.051 596 S CA 0.399 58.671 58.200 0.120 0.000 1.185 596 S CB 0.123 63.373 63.200 0.083 0.000 1.152 596 S HN 0.626 nan 8.310 nan 0.000 0.653 597 H N 2.492 121.611 119.070 0.083 0.000 1.452 597 H HA -0.289 4.268 4.556 0.001 0.000 0.090 597 H C 0.773 176.147 175.328 0.076 0.000 0.977 597 H CA 2.254 58.352 56.048 0.083 0.000 1.901 597 H CB -1.314 28.479 29.762 0.051 0.000 2.257 597 H HN 0.323 nan 8.280 nan 0.000 0.961 598 L N 0.637 121.629 121.223 -0.386 0.000 2.478 598 L HA -0.008 4.332 4.340 0.001 0.000 0.223 598 L C 2.155 178.992 176.870 -0.056 0.000 1.140 598 L CA 0.816 55.477 54.840 -0.298 0.000 0.842 598 L CB -0.385 41.419 42.059 -0.424 0.000 0.953 598 L HN 0.426 nan 8.230 nan 0.000 0.452 599 N N 0.347 119.051 118.700 0.007 0.000 2.354 599 N HA -0.029 4.712 4.740 0.001 0.000 0.179 599 N C 1.335 176.860 175.510 0.025 0.000 1.021 599 N CA 1.373 54.440 53.050 0.028 0.000 0.887 599 N CB 0.425 38.939 38.487 0.046 0.000 0.974 599 N HN 0.368 nan 8.380 nan 0.000 0.437 600 G N -0.393 108.431 108.800 0.041 0.000 5.371 600 G HA2 0.036 3.997 3.960 0.001 0.000 0.208 600 G HA3 0.036 3.997 3.960 0.001 0.000 0.208 600 G C 0.327 175.264 174.900 0.062 0.000 0.815 600 G CA 0.224 45.348 45.100 0.040 0.000 0.735 600 G HN 0.269 nan 8.290 nan 0.000 0.284 601 S N -0.924 114.830 115.700 0.091 0.000 2.687 601 S HA 0.216 4.687 4.470 0.001 0.000 0.247 601 S C 0.517 175.220 174.600 0.171 0.000 1.050 601 S CA -0.199 58.077 58.200 0.128 0.000 1.063 601 S CB 0.058 63.358 63.200 0.166 0.000 1.039 601 S HN 0.287 nan 8.310 nan 0.000 0.580 602 Q N 2.075 121.980 119.800 0.175 0.000 2.262 602 Q HA 0.289 4.630 4.340 0.001 0.000 0.298 602 Q C -0.836 175.299 176.000 0.225 0.000 1.083 602 Q CA 0.406 56.371 55.803 0.270 0.000 0.962 602 Q CB 0.323 29.231 28.738 0.283 0.000 1.104 602 Q HN 0.317 nan 8.270 nan 0.000 0.376 603 S N 1.775 117.639 115.700 0.273 0.000 2.672 603 S HA 0.302 4.773 4.470 0.001 0.000 0.291 603 S C -0.663 174.051 174.600 0.190 0.000 1.145 603 S CA -0.788 57.518 58.200 0.177 0.000 1.013 603 S CB 1.804 65.096 63.200 0.152 0.000 1.017 603 S HN 0.484 nan 8.310 nan 0.000 0.487 604 S N 3.117 118.861 115.700 0.074 0.000 2.593 604 S HA 0.698 5.168 4.470 0.001 0.000 0.269 604 S C 0.437 175.034 174.600 -0.005 0.000 1.334 604 S CA -0.732 57.490 58.200 0.036 0.000 1.015 604 S CB 0.516 63.653 63.200 -0.104 0.000 0.912 604 S HN 0.874 nan 8.310 nan 0.000 0.541 605 R N -0.539 119.996 120.500 0.058 0.000 2.888 605 R HA 0.590 4.931 4.340 0.001 0.000 0.277 605 R C -2.066 174.378 176.300 0.239 0.000 0.981 605 R CA -0.846 55.349 56.100 0.159 0.000 0.841 605 R CB 0.148 30.585 30.300 0.228 0.000 1.405 605 R HN 0.538 nan 8.270 nan 0.000 0.472 606 I N -0.952 119.831 120.570 0.355 0.000 3.042 606 I HA 0.700 4.870 4.170 0.001 0.000 0.310 606 I C -0.420 175.879 176.117 0.303 0.000 1.117 606 I CA -1.296 60.195 61.300 0.319 0.000 1.003 606 I CB 1.954 40.184 38.000 0.383 0.000 1.228 606 I HN 0.736 nan 8.210 nan 0.000 0.443 607 I N 1.021 121.749 120.570 0.264 0.000 2.693 607 I HA 0.864 5.035 4.170 0.001 0.000 0.303 607 I C -1.260 175.094 176.117 0.395 0.000 1.025 607 I CA -0.862 60.584 61.300 0.243 0.000 1.086 607 I CB 2.095 40.155 38.000 0.100 0.000 1.268 607 I HN 0.869 nan 8.210 nan 0.000 0.440 608 Y N 1.478 121.951 120.300 0.288 0.000 2.644 608 Y HA 0.806 5.357 4.550 0.001 0.000 0.338 608 Y C -0.980 174.943 175.900 0.039 0.000 1.119 608 Y CA -1.232 56.999 58.100 0.219 0.000 1.060 608 Y CB 1.457 39.969 38.460 0.087 0.000 1.294 608 Y HN 0.678 nan 8.280 nan 0.000 0.472 609 S N 0.424 116.053 115.700 -0.119 0.000 2.619 609 S HA 0.360 4.831 4.470 0.001 0.000 0.280 609 S C -1.146 173.304 174.600 -0.249 0.000 1.150 609 S CA -0.639 57.227 58.200 -0.557 0.000 0.978 609 S CB 0.946 63.230 63.200 -1.526 0.000 1.041 609 S HN 0.761 nan 8.310 nan 0.000 0.485 610 D N 2.593 122.910 120.400 -0.139 0.000 2.369 610 D HA 0.128 4.769 4.640 0.001 0.000 0.211 610 D C -0.078 176.050 176.300 -0.288 0.000 1.077 610 D CA 0.301 54.227 54.000 -0.123 0.000 0.842 610 D CB 0.456 41.266 40.800 0.018 0.000 0.947 610 D HN 0.747 nan 8.370 nan 0.000 0.509 611 D N -0.948 119.231 120.400 -0.369 0.000 2.788 611 D HA 0.007 4.647 4.640 0.001 0.000 0.289 611 D C -0.049 176.058 176.300 -0.322 0.000 1.340 611 D CA -0.648 53.136 54.000 -0.361 0.000 0.831 611 D CB -0.554 40.127 40.800 -0.198 0.000 1.103 611 D HN -0.033 nan 8.370 nan 0.000 0.476 612 H N 0.016 118.975 119.070 -0.185 0.000 2.839 612 H HA -0.126 4.431 4.556 0.001 0.000 0.298 612 H C 1.435 176.655 175.328 -0.181 0.000 1.224 612 H CA 1.021 57.000 56.048 -0.115 0.000 1.144 612 H CB -1.663 28.092 29.762 -0.011 0.000 1.372 612 H HN 0.709 nan 8.280 nan 0.000 0.408 613 G N -0.797 107.673 108.800 -0.551 0.000 2.176 613 G HA2 -0.381 3.580 3.960 0.001 0.000 0.253 613 G HA3 -0.381 3.580 3.960 0.001 0.000 0.253 613 G C 1.295 175.942 174.900 -0.422 0.000 0.979 613 G CA 0.756 45.371 45.100 -0.809 0.000 0.641 613 G HN 0.520 nan 8.290 nan 0.000 0.530 614 K N 0.128 120.332 120.400 -0.326 0.000 2.001 614 K HA 0.113 4.434 4.320 0.001 0.000 0.208 614 K C 1.524 177.972 176.600 -0.254 0.000 1.048 614 K CA 1.653 57.831 56.287 -0.181 0.000 0.932 614 K CB -0.164 32.256 32.500 -0.132 0.000 0.715 614 K HN 0.679 nan 8.250 nan 0.000 0.437 615 T N -2.161 112.107 114.554 -0.475 0.000 2.907 615 T HA 0.504 4.855 4.350 0.001 0.000 0.292 615 T C -1.319 172.849 174.700 -0.886 0.000 1.043 615 T CA -0.997 60.815 62.100 -0.481 0.000 1.003 615 T CB 1.237 69.879 68.868 -0.376 0.000 1.084 615 T HN 0.144 nan 8.240 nan 0.000 0.483 616 W N 0.388 121.357 121.300 -0.552 0.000 2.781 616 W HA 0.644 5.305 4.660 0.001 0.000 0.345 616 W C -0.072 175.937 176.519 -0.849 0.000 1.085 616 W CA -0.636 56.357 57.345 -0.588 0.000 1.198 616 W CB 1.470 30.716 29.460 -0.356 0.000 1.423 616 W HN 0.684 nan 8.180 nan 0.000 0.532 617 H N 0.821 119.681 119.070 -0.350 0.000 2.806 617 H HA 0.642 5.199 4.556 0.001 0.000 0.367 617 H C -0.723 174.341 175.328 -0.440 0.000 1.136 617 H CA -1.038 54.702 56.048 -0.512 0.000 1.178 617 H CB 1.777 31.006 29.762 -0.888 0.000 1.718 617 H HN 0.533 nan 8.280 nan 0.000 0.540 618 A N 2.010 124.810 122.820 -0.035 0.000 2.301 618 A HA 0.596 4.917 4.320 0.001 0.000 0.298 618 A C 0.846 178.566 177.584 0.226 0.000 1.185 618 A CA 0.085 52.171 52.037 0.081 0.000 0.830 618 A CB 0.499 19.529 19.000 0.049 0.000 1.112 618 A HN 0.758 nan 8.150 nan 0.000 0.508 619 G N 0.853 109.855 108.800 0.337 0.000 2.535 619 G HA2 0.492 4.453 3.960 0.001 0.000 0.282 619 G HA3 0.492 4.453 3.960 0.001 0.000 0.282 619 G C -0.185 174.876 174.900 0.269 0.000 1.350 619 G CA -0.544 44.757 45.100 0.335 0.000 1.039 619 G HN 0.789 nan 8.290 nan 0.000 0.509 620 E N -0.806 119.541 120.200 0.244 0.000 2.318 620 E HA 0.478 4.829 4.350 0.001 0.000 0.265 620 E C 0.285 177.095 176.600 0.349 0.000 1.069 620 E CA -0.529 56.021 56.400 0.250 0.000 0.893 620 E CB 1.441 31.248 29.700 0.178 0.000 1.076 620 E HN 0.549 nan 8.360 nan 0.000 0.414 621 A N 1.556 124.518 122.820 0.237 0.000 2.371 621 A HA 0.115 4.436 4.320 0.001 0.000 0.257 621 A C 1.197 178.872 177.584 0.151 0.000 1.089 621 A CA -0.502 51.639 52.037 0.173 0.000 0.794 621 A CB 0.587 19.644 19.000 0.095 0.000 1.029 621 A HN 0.524 nan 8.150 nan 0.000 0.488 622 V N 2.458 122.330 119.914 -0.070 0.000 2.332 622 V HA -0.290 3.831 4.120 0.001 0.000 0.248 622 V C 1.981 178.063 176.094 -0.020 0.000 1.055 622 V CA 2.613 64.813 62.300 -0.166 0.000 1.038 622 V CB -1.102 30.455 31.823 -0.444 0.000 0.651 622 V HN 0.947 nan 8.190 nan 0.000 0.450 623 N N -0.478 118.196 118.700 -0.042 0.000 2.550 623 N HA -0.064 4.677 4.740 0.001 0.000 0.186 623 N C -0.058 175.405 175.510 -0.078 0.000 1.110 623 N CA 0.015 53.038 53.050 -0.044 0.000 0.912 623 N CB -0.007 38.457 38.487 -0.037 0.000 0.968 623 N HN 0.453 nan 8.380 nan 0.000 0.448 624 D N 1.380 121.717 120.400 -0.104 0.000 2.363 624 D HA -0.006 4.634 4.640 0.001 0.000 0.263 624 D C 0.448 176.724 176.300 -0.040 0.000 1.258 624 D CA 0.568 54.446 54.000 -0.204 0.000 0.907 624 D CB 0.338 41.014 40.800 -0.207 0.000 1.107 624 D HN 0.081 nan 8.370 nan 0.000 0.495 625 N N 1.418 120.112 118.700 -0.010 0.000 2.782 625 N HA -0.235 4.506 4.740 0.001 0.000 0.251 625 N C -0.390 175.135 175.510 0.024 0.000 1.101 625 N CA 0.407 53.478 53.050 0.035 0.000 0.764 625 N CB -0.655 37.863 38.487 0.052 0.000 1.122 625 N HN 0.502 nan 8.380 nan 0.000 0.561 626 R N 0.681 121.187 120.500 0.010 0.000 2.441 626 R HA 0.173 4.513 4.340 0.001 0.000 0.284 626 R C -0.145 176.160 176.300 0.008 0.000 1.070 626 R CA -0.320 55.787 56.100 0.011 0.000 1.047 626 R CB 0.596 30.896 30.300 0.000 0.000 1.016 626 R HN 0.202 nan 8.270 nan 0.000 0.477 627 Q N 4.136 123.940 119.800 0.008 0.000 2.314 627 Q HA 0.222 4.563 4.340 0.001 0.000 0.257 627 Q C -1.608 174.392 176.000 -0.001 0.000 0.975 627 Q CA -0.248 55.558 55.803 0.005 0.000 0.933 627 Q CB 1.239 29.980 28.738 0.005 0.000 1.195 627 Q HN 0.423 nan 8.270 nan 0.000 0.426 628 V N 4.411 124.324 119.914 -0.002 0.000 2.709 628 V HA 0.175 4.295 4.120 0.001 0.000 0.308 628 V C -0.165 175.926 176.094 -0.005 0.000 1.062 628 V CA -0.744 61.553 62.300 -0.005 0.000 0.901 628 V CB 1.940 33.760 31.823 -0.006 0.000 1.003 628 V HN 0.895 nan 8.190 nan 0.000 0.425 629 D N 3.818 124.213 120.400 -0.008 0.000 2.733 629 D HA -0.240 4.401 4.640 0.001 0.000 0.232 629 D C 1.247 177.544 176.300 -0.005 0.000 1.161 629 D CA 1.798 55.794 54.000 -0.007 0.000 0.653 629 D CB -0.810 39.986 40.800 -0.007 0.000 1.052 629 D HN 1.406 nan 8.370 nan 0.000 0.424 630 G N -0.392 108.406 108.800 -0.004 0.000 2.397 630 G HA2 -0.279 3.682 3.960 0.001 0.000 0.211 630 G HA3 -0.279 3.682 3.960 0.001 0.000 0.211 630 G C 0.258 175.158 174.900 -0.000 0.000 1.077 630 G CA 0.519 45.617 45.100 -0.002 0.000 0.649 630 G HN 0.669 nan 8.290 nan 0.000 0.511 631 Q N 0.350 120.150 119.800 0.001 0.000 2.418 631 Q HA 0.827 5.167 4.340 0.001 0.000 0.276 631 Q C -0.701 175.302 176.000 0.005 0.000 1.081 631 Q CA -1.172 54.633 55.803 0.003 0.000 0.864 631 Q CB 1.448 30.188 28.738 0.002 0.000 1.384 631 Q HN 0.067 nan 8.270 nan 0.000 0.467 632 K N 1.279 121.684 120.400 0.009 0.000 2.172 632 K HA 0.459 4.780 4.320 0.001 0.000 0.276 632 K C -0.085 176.526 176.600 0.019 0.000 1.013 632 K CA -0.319 55.977 56.287 0.015 0.000 0.913 632 K CB 1.086 33.598 32.500 0.020 0.000 1.055 632 K HN 0.751 nan 8.250 nan 0.000 0.461 633 I N -1.928 118.654 120.570 0.020 0.000 3.436 633 I HA 0.504 4.674 4.170 0.001 0.000 0.296 633 I C -0.204 175.945 176.117 0.052 0.000 1.143 633 I CA -0.838 60.478 61.300 0.027 0.000 1.009 633 I CB 2.127 40.133 38.000 0.011 0.000 1.301 633 I HN 0.430 nan 8.210 nan 0.000 0.503 634 H N 0.570 119.603 119.070 -0.062 0.000 2.894 634 H HA 0.260 4.817 4.556 0.001 0.000 0.367 634 H C 0.153 175.402 175.328 -0.132 0.000 1.144 634 H CA 0.089 56.078 56.048 -0.098 0.000 1.180 634 H CB 2.537 32.208 29.762 -0.152 0.000 1.758 634 H HN 0.846 nan 8.280 nan 0.000 0.541 635 S N 1.926 117.445 115.700 -0.301 0.000 2.419 635 S HA -0.198 4.272 4.470 0.001 0.000 0.233 635 S C 1.785 176.284 174.600 -0.169 0.000 1.016 635 S CA 1.444 59.581 58.200 -0.105 0.000 0.974 635 S CB -0.295 62.915 63.200 0.016 0.000 0.786 635 S HN 0.563 nan 8.310 nan 0.000 0.492 636 S N 1.226 116.686 115.700 -0.401 0.000 2.496 636 S HA 0.016 4.486 4.470 0.001 0.000 0.224 636 S C 1.558 175.967 174.600 -0.318 0.000 0.996 636 S CA 0.795 58.441 58.200 -0.924 0.000 0.927 636 S CB -0.592 61.563 63.200 -1.740 0.000 0.774 636 S HN 0.795 nan 8.310 nan 0.000 0.524 637 T N -0.721 113.745 114.554 -0.146 0.000 3.041 637 T HA 0.385 4.736 4.350 0.001 0.000 0.276 637 T C 0.608 175.299 174.700 -0.014 0.000 0.948 637 T CA -0.342 61.714 62.100 -0.074 0.000 0.885 637 T CB -0.452 68.359 68.868 -0.095 0.000 1.175 637 T HN 0.550 nan 8.240 nan 0.000 0.529 638 M N 1.551 121.152 119.600 0.002 0.000 2.250 638 M HA 0.456 4.937 4.480 0.001 0.000 0.325 638 M C -0.184 176.134 176.300 0.031 0.000 1.084 638 M CA 0.242 55.552 55.300 0.018 0.000 1.161 638 M CB 0.134 32.746 32.600 0.020 0.000 1.481 638 M HN 0.029 nan 8.290 nan 0.000 0.449 639 N N 2.205 120.921 118.700 0.025 0.000 2.700 639 N HA 0.266 5.007 4.740 0.001 0.000 0.242 639 N C -2.228 173.293 175.510 0.018 0.000 1.541 639 N CA -0.285 52.782 53.050 0.029 0.000 0.764 639 N CB 0.540 39.043 38.487 0.027 0.000 1.319 639 N HN 0.850 nan 8.380 nan 0.000 0.518 640 N N 1.281 119.991 118.700 0.017 0.000 2.533 640 N HA 0.210 4.950 4.740 0.001 0.000 0.289 640 N C 0.674 176.184 175.510 0.000 0.000 1.103 640 N CA -0.209 52.844 53.050 0.005 0.000 0.877 640 N CB 1.719 40.207 38.487 0.002 0.000 1.419 640 N HN 0.400 nan 8.380 nan 0.000 0.517 641 R N 2.851 123.345 120.500 -0.010 0.000 2.083 641 R HA -0.040 4.301 4.340 0.001 0.000 0.237 641 R C 1.737 178.010 176.300 -0.045 0.000 1.137 641 R CA 1.389 57.472 56.100 -0.028 0.000 0.951 641 R CB 0.047 30.323 30.300 -0.040 0.000 0.851 641 R HN 0.513 nan 8.270 nan 0.000 0.434 642 R N -0.275 120.199 120.500 -0.043 0.000 2.235 642 R HA -0.016 4.324 4.340 0.001 0.000 0.213 642 R C 1.496 177.775 176.300 -0.034 0.000 1.059 642 R CA 1.077 57.148 56.100 -0.048 0.000 0.997 642 R CB -0.016 30.259 30.300 -0.042 0.000 0.884 642 R HN 0.333 nan 8.270 nan 0.000 0.462 643 A N 0.231 123.038 122.820 -0.021 0.000 2.251 643 A HA 0.066 4.387 4.320 0.001 0.000 0.209 643 A C 0.357 177.938 177.584 -0.005 0.000 1.187 643 A CA -0.089 51.940 52.037 -0.014 0.000 0.823 643 A CB 0.070 19.065 19.000 -0.008 0.000 0.846 643 A HN 0.357 nan 8.150 nan 0.000 0.486 644 Q N 0.510 120.311 119.800 0.002 0.000 2.417 644 Q HA 0.342 4.682 4.340 0.001 0.000 0.241 644 Q C -1.021 174.992 176.000 0.022 0.000 1.008 644 Q CA 0.104 55.923 55.803 0.027 0.000 0.901 644 Q CB 0.353 29.117 28.738 0.044 0.000 1.259 644 Q HN 0.715 nan 8.270 nan 0.000 0.489 645 N N -1.045 117.674 118.700 0.031 0.000 2.425 645 N HA 0.267 5.008 4.740 0.001 0.000 0.289 645 N C -0.711 174.789 175.510 -0.017 0.000 1.074 645 N CA -0.639 52.409 53.050 -0.003 0.000 0.905 645 N CB 1.688 40.143 38.487 -0.052 0.000 1.586 645 N HN 0.601 nan 8.380 nan 0.000 0.490 646 T N -0.932 113.555 114.554 -0.113 0.000 2.090 646 T HA 0.339 4.690 4.350 0.001 0.000 0.179 646 T C 0.058 174.355 174.700 -0.672 0.000 0.687 646 T CA -0.270 61.561 62.100 -0.448 0.000 1.523 646 T CB -0.630 67.948 68.868 -0.483 0.000 3.135 646 T HN 0.430 nan 8.240 nan 0.000 0.403 647 E N 1.867 121.596 120.200 -0.785 0.000 2.413 647 E HA 0.433 4.783 4.350 0.001 0.000 0.263 647 E C -0.208 176.276 176.600 -0.193 0.000 1.015 647 E CA -0.195 55.947 56.400 -0.431 0.000 0.916 647 E CB 0.529 30.037 29.700 -0.321 0.000 0.947 647 E HN 0.710 nan 8.360 nan 0.000 0.440 648 S N 1.264 116.928 115.700 -0.059 0.000 2.651 648 S HA 0.600 5.071 4.470 0.001 0.000 0.279 648 S C -0.691 173.965 174.600 0.093 0.000 1.148 648 S CA -0.974 57.235 58.200 0.015 0.000 0.837 648 S CB 2.206 65.404 63.200 -0.003 0.000 1.138 648 S HN 0.389 nan 8.310 nan 0.000 0.478 649 T N 0.190 114.848 114.554 0.174 0.000 2.876 649 T HA 0.666 5.017 4.350 0.001 0.000 0.289 649 T C -1.473 173.423 174.700 0.327 0.000 1.014 649 T CA -0.524 61.710 62.100 0.224 0.000 0.986 649 T CB 1.426 70.407 68.868 0.189 0.000 1.021 649 T HN 1.050 nan 8.240 nan 0.000 0.458 650 V N 5.562 125.657 119.914 0.300 0.000 2.628 650 V HA 0.902 5.023 4.120 0.001 0.000 0.306 650 V C -1.207 175.085 176.094 0.330 0.000 1.045 650 V CA -0.243 62.253 62.300 0.326 0.000 0.905 650 V CB 1.729 33.725 31.823 0.289 0.000 0.997 650 V HN 0.829 nan 8.190 nan 0.000 0.436 651 V N 5.942 126.071 119.914 0.357 0.000 2.888 651 V HA 0.497 4.618 4.120 0.001 0.000 0.309 651 V C -0.654 175.594 176.094 0.256 0.000 1.114 651 V CA -0.630 61.867 62.300 0.328 0.000 0.940 651 V CB 1.891 33.971 31.823 0.430 0.000 1.021 651 V HN 0.946 nan 8.190 nan 0.000 0.426 652 Q N 3.064 122.969 119.800 0.174 0.000 2.282 652 Q HA 0.699 5.040 4.340 0.001 0.000 0.260 652 Q C -1.385 174.653 176.000 0.062 0.000 0.964 652 Q CA -0.607 55.256 55.803 0.100 0.000 0.880 652 Q CB 1.806 30.569 28.738 0.042 0.000 1.286 652 Q HN 0.703 nan 8.270 nan 0.000 0.445 653 L N 2.530 123.808 121.223 0.092 0.000 2.454 653 L HA 0.266 4.607 4.340 0.001 0.000 0.256 653 L C 1.035 177.922 176.870 0.029 0.000 1.136 653 L CA -0.843 54.069 54.840 0.121 0.000 0.804 653 L CB 0.396 42.530 42.059 0.126 0.000 1.181 653 L HN 0.717 nan 8.230 nan 0.000 0.469 654 N N 0.878 119.622 118.700 0.074 0.000 2.453 654 N HA -0.142 4.598 4.740 0.001 0.000 0.183 654 N C 1.152 176.674 175.510 0.020 0.000 1.041 654 N CA 1.001 54.071 53.050 0.033 0.000 0.900 654 N CB -0.370 38.166 38.487 0.080 0.000 0.961 654 N HN 0.638 nan 8.380 nan 0.000 0.443 655 N N -0.893 117.824 118.700 0.029 0.000 2.461 655 N HA 0.029 4.770 4.740 0.001 0.000 0.188 655 N C 1.062 176.577 175.510 0.007 0.000 1.134 655 N CA 0.624 53.684 53.050 0.016 0.000 0.878 655 N CB 0.334 38.832 38.487 0.019 0.000 0.972 655 N HN 0.089 nan 8.380 nan 0.000 0.456 656 G N 0.401 109.205 108.800 0.007 0.000 2.234 656 G HA2 -0.234 3.726 3.960 0.001 0.000 0.235 656 G HA3 -0.234 3.726 3.960 0.001 0.000 0.235 656 G C -0.473 174.431 174.900 0.008 0.000 0.997 656 G CA 0.058 45.159 45.100 0.002 0.000 0.623 656 G HN 0.414 nan 8.290 nan 0.000 0.514 657 D N 0.460 120.870 120.400 0.017 0.000 2.372 657 D HA 0.482 5.123 4.640 0.001 0.000 0.243 657 D C 0.459 176.786 176.300 0.044 0.000 1.121 657 D CA 0.131 54.142 54.000 0.019 0.000 0.898 657 D CB 1.817 42.636 40.800 0.033 0.000 1.202 657 D HN 0.196 nan 8.370 nan 0.000 0.428 658 V N 3.160 123.095 119.914 0.035 0.000 2.435 658 V HA 0.243 4.363 4.120 0.001 0.000 0.290 658 V C 0.284 176.500 176.094 0.204 0.000 1.030 658 V CA -0.717 61.644 62.300 0.102 0.000 0.881 658 V CB 1.589 33.437 31.823 0.041 0.000 0.983 658 V HN 0.271 nan 8.190 nan 0.000 0.445 659 K N 4.152 124.677 120.400 0.209 0.000 2.206 659 K HA 0.599 4.920 4.320 0.001 0.000 0.264 659 K C -1.172 175.466 176.600 0.064 0.000 0.967 659 K CA -0.766 55.579 56.287 0.096 0.000 0.844 659 K CB 2.467 34.945 32.500 -0.037 0.000 1.099 659 K HN 0.440 nan 8.250 nan 0.000 0.441 660 L N 4.032 125.201 121.223 -0.089 0.000 2.316 660 L HA 0.425 4.766 4.340 0.001 0.000 0.280 660 L C -1.382 175.323 176.870 -0.276 0.000 1.006 660 L CA -0.410 54.350 54.840 -0.134 0.000 0.836 660 L CB 0.382 42.191 42.059 -0.417 0.000 1.221 660 L HN 0.368 nan 8.230 nan 0.000 0.418 661 F N 5.723 125.709 119.950 0.060 0.000 2.404 661 F HA 0.515 5.043 4.527 0.001 0.000 0.358 661 F C 0.254 176.053 175.800 -0.001 0.000 1.120 661 F CA -0.284 57.755 58.000 0.065 0.000 1.144 661 F CB 0.798 39.865 39.000 0.112 0.000 1.133 661 F HN 0.298 nan 8.300 nan 0.000 0.495 662 M N 3.684 123.332 119.600 0.080 0.000 2.294 662 M HA 0.408 4.889 4.480 0.001 0.000 0.335 662 M C 0.045 176.351 176.300 0.010 0.000 1.079 662 M CA -0.720 54.580 55.300 0.000 0.000 0.982 662 M CB 2.005 34.559 32.600 -0.077 0.000 1.651 662 M HN 0.482 nan 8.290 nan 0.000 0.437 663 R N 1.668 122.147 120.500 -0.035 0.000 2.522 663 R HA 0.489 4.830 4.340 0.001 0.000 0.284 663 R C -0.301 176.039 176.300 0.067 0.000 1.032 663 R CA 0.345 56.431 56.100 -0.022 0.000 1.049 663 R CB 0.304 30.513 30.300 -0.152 0.000 0.956 663 R HN 0.942 nan 8.270 nan 0.000 0.422 664 G N 2.432 111.321 108.800 0.148 0.000 2.870 664 G HA2 0.402 4.363 3.960 0.001 0.000 0.299 664 G HA3 0.402 4.363 3.960 0.001 0.000 0.299 664 G C -0.617 174.354 174.900 0.119 0.000 1.324 664 G CA -0.801 44.383 45.100 0.140 0.000 0.808 664 G HN 0.536 nan 8.290 nan 0.000 0.535 665 L N 1.013 122.212 121.223 -0.041 0.000 3.110 665 L HA 0.222 4.563 4.340 0.001 0.000 0.266 665 L C 1.885 178.707 176.870 -0.079 0.000 1.257 665 L CA 0.308 55.063 54.840 -0.142 0.000 1.038 665 L CB 0.768 42.663 42.059 -0.273 0.000 1.395 665 L HN 0.695 nan 8.230 nan 0.000 0.566 666 T N -4.897 109.634 114.554 -0.039 0.000 3.060 666 T HA 0.228 4.579 4.350 0.001 0.000 0.249 666 T C 1.572 176.253 174.700 -0.031 0.000 1.079 666 T CA 0.606 62.684 62.100 -0.036 0.000 1.013 666 T CB 0.752 69.602 68.868 -0.031 0.000 0.975 666 T HN 0.390 nan 8.240 nan 0.000 0.518 667 G N 2.081 110.869 108.800 -0.021 0.000 2.225 667 G HA2 -0.202 3.759 3.960 0.001 0.000 0.254 667 G HA3 -0.202 3.759 3.960 0.001 0.000 0.254 667 G C -0.272 174.608 174.900 -0.032 0.000 0.988 667 G CA 0.275 45.363 45.100 -0.021 0.000 0.625 667 G HN 0.915 nan 8.290 nan 0.000 0.527 668 D N -0.895 119.486 120.400 -0.032 0.000 2.614 668 D HA 0.644 5.285 4.640 0.001 0.000 0.264 668 D C -0.226 176.062 176.300 -0.021 0.000 1.092 668 D CA -1.224 52.747 54.000 -0.048 0.000 1.071 668 D CB 0.535 41.305 40.800 -0.050 0.000 1.443 668 D HN 0.462 nan 8.370 nan 0.000 0.528 669 L N 0.233 121.446 121.223 -0.018 0.000 2.418 669 L HA 0.232 4.572 4.340 0.001 0.000 0.274 669 L C -0.477 176.475 176.870 0.137 0.000 1.135 669 L CA 0.639 55.521 54.840 0.069 0.000 0.870 669 L CB 0.007 42.106 42.059 0.067 0.000 1.154 669 L HN 0.273 nan 8.230 nan 0.000 0.462 670 Q N 4.391 124.258 119.800 0.111 0.000 2.293 670 Q HA 0.638 4.979 4.340 0.001 0.000 0.261 670 Q C -1.333 174.702 176.000 0.058 0.000 0.960 670 Q CA -0.815 55.021 55.803 0.055 0.000 0.882 670 Q CB 2.510 31.250 28.738 0.004 0.000 1.275 670 Q HN 0.510 nan 8.270 nan 0.000 0.445 671 V N 1.093 121.014 119.914 0.012 0.000 2.638 671 V HA 0.738 4.859 4.120 0.001 0.000 0.306 671 V C -0.603 175.428 176.094 -0.105 0.000 1.052 671 V CA -0.834 61.404 62.300 -0.104 0.000 0.885 671 V CB 1.622 33.417 31.823 -0.047 0.000 0.999 671 V HN 0.869 nan 8.190 nan 0.000 0.424 672 A N 3.064 125.787 122.820 -0.161 0.000 2.311 672 A HA 0.952 5.272 4.320 0.001 0.000 0.334 672 A C -0.086 177.586 177.584 0.146 0.000 1.139 672 A CA -0.534 51.471 52.037 -0.053 0.000 0.830 672 A CB 1.468 20.296 19.000 -0.286 0.000 1.234 672 A HN 0.751 nan 8.150 nan 0.000 0.483 673 T N 0.930 115.685 114.554 0.333 0.000 2.886 673 T HA 0.580 4.931 4.350 0.001 0.000 0.292 673 T C -0.516 174.368 174.700 0.307 0.000 1.012 673 T CA -0.371 61.918 62.100 0.314 0.000 0.982 673 T CB 1.455 70.407 68.868 0.140 0.000 1.018 673 T HN 0.769 nan 8.240 nan 0.000 0.451 674 S N 1.294 117.017 115.700 0.037 0.000 2.502 674 S HA 0.444 4.915 4.470 0.001 0.000 0.304 674 S C 0.298 174.771 174.600 -0.211 0.000 1.097 674 S CA -0.809 57.167 58.200 -0.373 0.000 1.045 674 S CB 0.926 63.456 63.200 -1.118 0.000 1.019 674 S HN 0.667 nan 8.310 nan 0.000 0.481 675 K N 1.737 122.028 120.400 -0.182 0.000 2.358 675 K HA 0.147 4.468 4.320 0.001 0.000 0.200 675 K C -0.435 176.104 176.600 -0.103 0.000 1.030 675 K CA 0.146 56.371 56.287 -0.103 0.000 1.097 675 K CB 0.262 32.726 32.500 -0.061 0.000 0.862 675 K HN 0.673 nan 8.250 nan 0.000 0.534 676 D N -0.478 119.808 120.400 -0.190 0.000 2.804 676 D HA 0.131 4.772 4.640 0.001 0.000 0.308 676 D C 0.650 176.736 176.300 -0.357 0.000 1.371 676 D CA -0.437 53.465 54.000 -0.163 0.000 0.823 676 D CB 0.403 41.099 40.800 -0.174 0.000 1.126 676 D HN 0.108 nan 8.370 nan 0.000 0.467 677 G N -0.331 108.301 108.800 -0.279 0.000 2.160 677 G HA2 0.004 3.965 3.960 0.001 0.000 0.244 677 G HA3 0.004 3.965 3.960 0.001 0.000 0.244 677 G C 1.139 175.767 174.900 -0.453 0.000 1.022 677 G CA 0.309 45.187 45.100 -0.370 0.000 0.741 677 G HN 1.467 nan 8.290 nan 0.000 0.508 678 G N -2.963 105.521 108.800 -0.525 0.000 2.175 678 G HA2 -0.159 3.802 3.960 0.001 0.000 0.244 678 G HA3 -0.159 3.802 3.960 0.001 0.000 0.244 678 G C 1.237 175.810 174.900 -0.545 0.000 0.982 678 G CA 1.031 45.777 45.100 -0.590 0.000 0.641 678 G HN 1.443 nan 8.290 nan 0.000 0.527 679 V N 0.857 120.444 119.914 -0.545 0.000 2.407 679 V HA 0.197 4.318 4.120 0.001 0.000 0.245 679 V C 1.749 177.660 176.094 -0.305 0.000 1.041 679 V CA 2.500 64.601 62.300 -0.332 0.000 1.040 679 V CB -0.148 31.485 31.823 -0.317 0.000 0.671 679 V HN 1.102 nan 8.190 nan 0.000 0.455 680 T N -3.291 110.968 114.554 -0.493 0.000 2.906 680 T HA 0.571 4.922 4.350 0.001 0.000 0.295 680 T C -1.573 172.719 174.700 -0.680 0.000 1.075 680 T CA -0.714 61.159 62.100 -0.379 0.000 1.005 680 T CB 2.005 70.778 68.868 -0.159 0.000 1.136 680 T HN 0.193 nan 8.240 nan 0.000 0.498 681 W N 0.833 122.130 121.300 -0.004 0.000 2.702 681 W HA 0.557 5.217 4.660 0.001 0.000 0.331 681 W C 0.195 176.709 176.519 -0.008 0.000 1.049 681 W CA -0.844 56.497 57.345 -0.007 0.000 1.230 681 W CB 1.154 30.611 29.460 -0.004 0.000 1.408 681 W HN 0.574 nan 8.180 nan 0.000 0.492 682 E N 1.849 122.156 120.200 0.177 0.000 2.425 682 E HA -0.003 4.348 4.350 0.001 0.000 0.258 682 E C 0.056 176.718 176.600 0.103 0.000 1.151 682 E CA -0.238 56.222 56.400 0.101 0.000 0.958 682 E CB 0.558 30.301 29.700 0.072 0.000 0.968 682 E HN 0.363 nan 8.360 nan 0.000 0.451 683 K N 1.169 121.607 120.400 0.062 0.000 2.276 683 K HA -0.052 4.269 4.320 0.001 0.000 0.259 683 K C -0.764 175.856 176.600 0.034 0.000 1.001 683 K CA -0.094 56.220 56.287 0.045 0.000 0.927 683 K CB 0.362 32.880 32.500 0.029 0.000 0.969 683 K HN 0.337 nan 8.250 nan 0.000 0.490 684 D N 1.280 121.692 120.400 0.020 0.000 4.844 684 D HA -0.186 4.455 4.640 0.001 0.000 0.239 684 D C -0.737 175.560 176.300 -0.005 0.000 1.115 684 D CA 0.560 54.562 54.000 0.002 0.000 1.241 684 D CB -0.656 40.143 40.800 -0.003 0.000 0.748 684 D HN 0.320 nan 8.370 nan 0.000 0.368 685 I N 1.581 122.139 120.570 -0.019 0.000 2.588 685 I HA 0.026 4.197 4.170 0.001 0.000 0.283 685 I C 1.033 177.110 176.117 -0.066 0.000 1.119 685 I CA 0.175 61.453 61.300 -0.037 0.000 1.419 685 I CB 0.573 38.545 38.000 -0.048 0.000 1.394 685 I HN 0.120 nan 8.210 nan 0.000 0.562 686 K N 6.368 126.715 120.400 -0.089 0.000 2.205 686 K HA 0.476 4.796 4.320 0.001 0.000 0.279 686 K C -0.645 175.803 176.600 -0.255 0.000 1.027 686 K CA -0.187 55.983 56.287 -0.195 0.000 0.932 686 K CB 0.644 33.012 32.500 -0.219 0.000 1.032 686 K HN 0.443 nan 8.250 nan 0.000 0.466 687 R N 3.242 123.543 120.500 -0.331 0.000 2.562 687 R HA 0.340 4.681 4.340 0.001 0.000 0.298 687 R C -1.132 174.947 176.300 -0.368 0.000 0.961 687 R CA -0.778 55.179 56.100 -0.238 0.000 0.881 687 R CB 1.283 31.511 30.300 -0.120 0.000 1.159 687 R HN 0.516 nan 8.270 nan 0.000 0.450 688 Y N 2.521 122.846 120.300 0.041 0.000 2.555 688 Y HA 0.275 4.826 4.550 0.001 0.000 0.326 688 Y C -1.767 174.080 175.900 -0.089 0.000 0.984 688 Y CA -2.459 55.663 58.100 0.036 0.000 1.298 688 Y CB 1.689 40.222 38.460 0.121 0.000 1.094 688 Y HN 0.497 nan 8.280 nan 0.000 0.500 689 P HA -0.157 nan 4.420 nan 0.000 0.221 689 P C 0.907 178.149 177.300 -0.097 0.000 1.145 689 P CA 1.353 64.434 63.100 -0.030 0.000 0.795 689 P CB 0.398 32.091 31.700 -0.012 0.000 0.775 690 Q N -1.247 118.497 119.800 -0.093 0.000 2.224 690 Q HA -0.025 4.316 4.340 0.001 0.000 0.203 690 Q C 0.364 176.042 176.000 -0.537 0.000 0.970 690 Q CA 0.815 56.479 55.803 -0.231 0.000 0.865 690 Q CB -0.321 28.375 28.738 -0.071 0.000 0.922 690 Q HN 0.121 nan 8.270 nan 0.000 0.445 691 V N 1.887 121.455 119.914 -0.577 0.000 2.350 691 V HA 0.208 4.329 4.120 0.001 0.000 0.285 691 V C -0.164 175.676 176.094 -0.423 0.000 1.014 691 V CA -0.995 60.848 62.300 -0.760 0.000 0.831 691 V CB 1.404 32.540 31.823 -1.145 0.000 1.000 691 V HN 0.054 nan 8.190 nan 0.000 0.433 692 K N 2.775 122.981 120.400 -0.323 0.000 2.219 692 K HA 0.348 4.669 4.320 0.001 0.000 0.258 692 K C -0.442 176.082 176.600 -0.126 0.000 1.008 692 K CA -0.270 55.914 56.287 -0.171 0.000 0.928 692 K CB 1.096 33.526 32.500 -0.117 0.000 0.983 692 K HN 0.770 nan 8.250 nan 0.000 0.484 693 D N 0.674 121.039 120.400 -0.057 0.000 2.476 693 D HA 0.085 4.725 4.640 0.001 0.000 0.251 693 D C 0.026 176.350 176.300 0.040 0.000 1.291 693 D CA -0.646 53.350 54.000 -0.006 0.000 0.939 693 D CB 0.921 41.726 40.800 0.008 0.000 1.221 693 D HN 0.160 nan 8.370 nan 0.000 0.567 694 V N 2.861 122.812 119.914 0.061 0.000 3.490 694 V HA 0.316 4.437 4.120 0.001 0.000 0.315 694 V C 0.243 176.453 176.094 0.193 0.000 1.284 694 V CA -0.329 62.030 62.300 0.098 0.000 1.233 694 V CB -1.789 30.084 31.823 0.083 0.000 1.101 694 V HN 0.647 nan 8.190 nan 0.000 0.425 695 Y N -1.449 118.853 120.300 0.004 0.000 3.016 695 Y HA -0.107 4.444 4.550 0.001 0.000 0.152 695 Y C -0.536 175.377 175.900 0.022 0.000 1.832 695 Y CA 0.575 58.678 58.100 0.005 0.000 0.998 695 Y CB -1.400 37.070 38.460 0.017 0.000 1.507 695 Y HN 0.526 nan 8.280 nan 0.000 0.378 696 V N 3.877 123.713 119.914 -0.130 0.000 3.120 696 V HA 0.425 4.546 4.120 0.001 0.000 0.303 696 V C -0.303 175.611 176.094 -0.301 0.000 1.238 696 V CA -0.588 61.602 62.300 -0.185 0.000 1.008 696 V CB 1.872 33.687 31.823 -0.015 0.000 1.064 696 V HN 0.486 nan 8.190 nan 0.000 0.434 697 Q N 4.579 123.999 119.800 -0.634 0.000 2.479 697 Q HA 0.288 4.628 4.340 0.001 0.000 0.267 697 Q C -0.629 175.159 176.000 -0.354 0.000 1.071 697 Q CA 0.381 55.757 55.803 -0.713 0.000 0.935 697 Q CB 0.861 28.650 28.738 -1.582 0.000 1.295 697 Q HN 0.852 nan 8.270 nan 0.000 0.476 698 M N -0.128 119.354 119.600 -0.197 0.000 2.664 698 M HA 0.630 5.111 4.480 0.001 0.000 0.279 698 M C -1.239 175.057 176.300 -0.006 0.000 1.275 698 M CA -0.941 54.328 55.300 -0.052 0.000 0.829 698 M CB 2.287 34.882 32.600 -0.009 0.000 1.727 698 M HN 0.540 nan 8.290 nan 0.000 0.459 699 S N 0.519 116.243 115.700 0.041 0.000 2.549 699 S HA 1.001 5.471 4.470 0.001 0.000 0.280 699 S C -1.214 173.408 174.600 0.037 0.000 1.109 699 S CA -0.268 57.974 58.200 0.071 0.000 0.905 699 S CB 2.138 65.410 63.200 0.119 0.000 1.081 699 S HN 1.458 nan 8.310 nan 0.000 0.477 700 A N 1.993 124.834 122.820 0.036 0.000 2.549 700 A HA 0.859 5.180 4.320 0.001 0.000 0.297 700 A C -0.738 176.905 177.584 0.098 0.000 1.061 700 A CA -0.946 51.070 52.037 -0.035 0.000 0.690 700 A CB 1.053 19.831 19.000 -0.369 0.000 1.287 700 A HN 1.662 nan 8.150 nan 0.000 0.402 701 I N -0.926 119.718 120.570 0.125 0.000 2.865 701 I HA 0.546 4.717 4.170 0.001 0.000 0.302 701 I C -0.391 175.868 176.117 0.238 0.000 1.140 701 I CA -0.780 60.648 61.300 0.213 0.000 1.021 701 I CB 2.081 40.227 38.000 0.243 0.000 1.233 701 I HN 0.827 nan 8.210 nan 0.000 0.427 702 H N 2.438 121.625 119.070 0.195 0.000 2.511 702 H HA 0.569 5.125 4.556 0.001 0.000 0.346 702 H C -1.340 174.130 175.328 0.237 0.000 1.128 702 H CA 0.360 56.526 56.048 0.197 0.000 1.342 702 H CB 1.777 31.645 29.762 0.177 0.000 1.470 702 H HN 0.864 nan 8.280 nan 0.000 0.546 703 T N 4.810 119.267 114.554 -0.161 0.000 2.885 703 T HA 0.374 4.724 4.350 0.001 0.000 0.322 703 T C -1.211 173.529 174.700 0.066 0.000 1.387 703 T CA -0.857 61.330 62.100 0.145 0.000 1.041 703 T CB 0.845 69.944 68.868 0.385 0.000 1.287 703 T HN 0.481 nan 8.240 nan 0.000 0.491 704 M N 3.709 123.419 119.600 0.183 0.000 2.456 704 M HA 0.459 4.940 4.480 0.001 0.000 0.324 704 M C -0.798 175.583 176.300 0.134 0.000 1.124 704 M CA -0.666 54.728 55.300 0.158 0.000 0.959 704 M CB 1.541 34.216 32.600 0.125 0.000 1.692 704 M HN 0.727 nan 8.290 nan 0.000 0.444 705 H N 2.715 121.766 119.070 -0.032 0.000 3.181 705 H HA 0.185 4.742 4.556 0.001 0.000 0.331 705 H C -0.741 174.477 175.328 -0.185 0.000 0.988 705 H CA 0.187 56.034 56.048 -0.335 0.000 1.449 705 H CB 1.114 30.161 29.762 -1.191 0.000 1.749 705 H HN 0.861 nan 8.280 nan 0.000 0.501 706 E N 3.278 123.172 120.200 -0.511 0.000 2.360 706 E HA -0.253 4.098 4.350 0.001 0.000 0.238 706 E C 0.904 177.435 176.600 -0.116 0.000 1.186 706 E CA 0.811 57.023 56.400 -0.313 0.000 0.719 706 E CB -1.419 28.085 29.700 -0.325 0.000 1.236 706 E HN 1.130 nan 8.360 nan 0.000 0.386 707 G N -0.558 108.194 108.800 -0.081 0.000 2.205 707 G HA2 -0.348 3.613 3.960 0.001 0.000 0.261 707 G HA3 -0.348 3.613 3.960 0.001 0.000 0.261 707 G C 0.253 175.134 174.900 -0.030 0.000 0.980 707 G CA 0.861 45.938 45.100 -0.039 0.000 0.632 707 G HN 0.174 nan 8.290 nan 0.000 0.533 708 K N 0.832 121.223 120.400 -0.015 0.000 2.110 708 K HA 0.526 4.847 4.320 0.001 0.000 0.263 708 K C -0.088 176.375 176.600 -0.229 0.000 0.975 708 K CA -0.632 55.580 56.287 -0.125 0.000 0.895 708 K CB 1.989 34.427 32.500 -0.103 0.000 1.060 708 K HN 0.453 nan 8.250 nan 0.000 0.448 709 E N 1.897 121.856 120.200 -0.401 0.000 2.175 709 E HA 0.306 4.657 4.350 0.001 0.000 0.278 709 E C -1.214 175.029 176.600 -0.595 0.000 0.969 709 E CA -0.400 55.801 56.400 -0.332 0.000 0.796 709 E CB 0.688 30.305 29.700 -0.138 0.000 1.104 709 E HN 0.359 nan 8.360 nan 0.000 0.395 710 Y N 2.289 122.512 120.300 -0.128 0.000 2.669 710 Y HA 0.569 5.120 4.550 0.001 0.000 0.335 710 Y C -0.270 175.542 175.900 -0.147 0.000 1.116 710 Y CA -0.943 57.111 58.100 -0.076 0.000 1.081 710 Y CB 1.653 40.181 38.460 0.113 0.000 1.297 710 Y HN 0.366 nan 8.280 nan 0.000 0.484 711 I N 2.382 122.994 120.570 0.070 0.000 2.571 711 I HA 0.404 4.574 4.170 0.001 0.000 0.289 711 I C -1.352 174.764 176.117 -0.002 0.000 1.115 711 I CA -0.532 60.777 61.300 0.016 0.000 1.045 711 I CB 2.039 40.037 38.000 -0.005 0.000 1.238 711 I HN 0.369 nan 8.210 nan 0.000 0.424 712 I N 6.792 127.372 120.570 0.017 0.000 2.354 712 I HA 0.471 4.642 4.170 0.001 0.000 0.292 712 I C -0.759 175.375 176.117 0.027 0.000 0.989 712 I CA -0.556 60.747 61.300 0.005 0.000 1.188 712 I CB 1.885 39.859 38.000 -0.044 0.000 1.342 712 I HN 0.356 nan 8.210 nan 0.000 0.457 713 L N 5.852 127.126 121.223 0.085 0.000 2.385 713 L HA 0.614 4.955 4.340 0.001 0.000 0.273 713 L C -0.668 176.264 176.870 0.103 0.000 0.990 713 L CA -0.050 54.814 54.840 0.041 0.000 0.821 713 L CB 1.922 43.968 42.059 -0.022 0.000 1.279 713 L HN 0.616 nan 8.230 nan 0.000 0.412 714 S N 4.635 120.382 115.700 0.077 0.000 2.500 714 S HA 0.756 5.227 4.470 0.001 0.000 0.301 714 S C -1.033 173.652 174.600 0.142 0.000 1.092 714 S CA -0.416 57.821 58.200 0.061 0.000 1.030 714 S CB 1.073 64.317 63.200 0.073 0.000 1.031 714 S HN 0.967 nan 8.310 nan 0.000 0.483 715 N N 1.260 120.040 118.700 0.134 0.000 3.227 715 N HA 0.542 5.283 4.740 0.001 0.000 0.241 715 N C -1.070 174.519 175.510 0.132 0.000 1.480 715 N CA -1.303 51.881 53.050 0.223 0.000 0.886 715 N CB 0.796 39.359 38.487 0.125 0.000 1.406 715 N HN 0.676 nan 8.380 nan 0.000 0.514 716 A N -0.510 122.447 122.820 0.228 0.000 2.511 716 A HA 0.441 4.762 4.320 0.001 0.000 0.242 716 A C 1.285 178.879 177.584 0.016 0.000 1.069 716 A CA 0.457 52.576 52.037 0.136 0.000 0.763 716 A CB -0.227 18.904 19.000 0.220 0.000 1.001 716 A HN 0.815 nan 8.150 nan 0.000 0.498 717 G N 1.064 109.822 108.800 -0.069 0.000 2.551 717 G HA2 0.484 4.445 3.960 0.001 0.000 0.216 717 G HA3 0.484 4.445 3.960 0.001 0.000 0.216 717 G C 0.992 175.871 174.900 -0.035 0.000 1.137 717 G CA 0.832 45.894 45.100 -0.064 0.000 0.798 717 G HN 2.269 nan 8.290 nan 0.000 0.536 718 G N -0.142 108.654 108.800 -0.007 0.000 2.566 718 G HA2 -0.052 3.909 3.960 0.001 0.000 0.599 718 G HA3 -0.052 3.909 3.960 0.001 0.000 0.599 718 G C -1.318 173.584 174.900 0.003 0.000 1.292 718 G CA -0.053 45.052 45.100 0.008 0.000 0.922 718 G HN 0.089 nan 8.290 nan 0.000 0.514 719 P HA -0.006 nan 4.420 nan 0.000 0.218 719 P C 0.871 178.192 177.300 0.036 0.000 1.149 719 P CA 1.297 64.405 63.100 0.014 0.000 0.817 719 P CB 0.179 31.885 31.700 0.010 0.000 0.785 720 K N -0.296 120.135 120.400 0.051 0.000 2.651 720 K HA 0.361 4.682 4.320 0.001 0.000 0.283 720 K C 0.639 177.300 176.600 0.102 0.000 1.018 720 K CA -0.870 55.462 56.287 0.075 0.000 1.127 720 K CB 0.537 33.082 32.500 0.074 0.000 1.501 720 K HN -0.248 nan 8.250 nan 0.000 0.608 721 R N 2.425 123.005 120.500 0.133 0.000 3.268 721 R HA 0.027 4.368 4.340 0.001 0.000 0.217 721 R C -0.348 176.081 176.300 0.216 0.000 1.568 721 R CA 0.125 56.332 56.100 0.178 0.000 1.322 721 R CB -0.442 29.974 30.300 0.194 0.000 1.280 721 R HN 0.571 nan 8.270 nan 0.000 0.667 722 E N -0.118 120.194 120.200 0.188 0.000 2.447 722 E HA 0.143 4.494 4.350 0.001 0.000 0.279 722 E C -0.961 175.683 176.600 0.072 0.000 1.053 722 E CA -1.247 55.262 56.400 0.182 0.000 0.840 722 E CB 0.673 30.450 29.700 0.127 0.000 1.409 722 E HN 0.054 nan 8.360 nan 0.000 0.461 723 N N -0.334 118.370 118.700 0.007 0.000 2.608 723 N HA -0.135 4.606 4.740 0.001 0.000 0.273 723 N C -0.534 174.737 175.510 -0.399 0.000 1.133 723 N CA 1.065 54.022 53.050 -0.156 0.000 0.726 723 N CB -0.987 37.436 38.487 -0.108 0.000 0.890 723 N HN 0.806 nan 8.380 nan 0.000 0.548 724 G N 1.508 109.797 108.800 -0.852 0.000 2.380 724 G HA2 0.421 4.382 3.960 0.001 0.000 0.242 724 G HA3 0.421 4.382 3.960 0.001 0.000 0.242 724 G C 0.311 174.608 174.900 -1.005 0.000 1.298 724 G CA -0.166 43.861 45.100 -1.790 0.000 0.878 724 G HN 0.465 nan 8.290 nan 0.000 0.542 725 M N 1.002 120.122 119.600 -0.800 0.000 2.690 725 M HA 0.410 4.891 4.480 0.001 0.000 0.302 725 M C -0.824 175.069 176.300 -0.679 0.000 1.234 725 M CA -0.946 53.949 55.300 -0.675 0.000 0.853 725 M CB 2.829 35.010 32.600 -0.698 0.000 1.748 725 M HN 0.125 nan 8.290 nan 0.000 0.469 726 V N 2.063 121.591 119.914 -0.644 0.000 2.284 726 V HA 0.272 4.392 4.120 0.001 0.000 0.274 726 V C -0.485 175.318 176.094 -0.485 0.000 1.023 726 V CA -0.765 61.226 62.300 -0.516 0.000 0.808 726 V CB 0.225 31.710 31.823 -0.564 0.000 1.035 726 V HN 0.671 nan 8.190 nan 0.000 0.445 727 H N 4.406 123.398 119.070 -0.131 0.000 2.722 727 H HA 0.374 4.931 4.556 0.001 0.000 0.328 727 H C -0.380 174.983 175.328 0.058 0.000 1.067 727 H CA -0.379 55.660 56.048 -0.016 0.000 1.447 727 H CB 2.132 31.901 29.762 0.010 0.000 1.469 727 H HN 0.402 nan 8.280 nan 0.000 0.544 728 L N 2.777 124.046 121.223 0.076 0.000 2.313 728 L HA 0.572 4.913 4.340 0.001 0.000 0.283 728 L C -0.708 176.154 176.870 -0.014 0.000 1.013 728 L CA -0.534 54.274 54.840 -0.053 0.000 0.816 728 L CB 1.187 43.055 42.059 -0.317 0.000 1.236 728 L HN 0.710 nan 8.230 nan 0.000 0.419 729 A N 5.129 127.823 122.820 -0.211 0.000 2.371 729 A HA 0.766 5.086 4.320 0.001 0.000 0.311 729 A C -0.934 176.535 177.584 -0.191 0.000 1.068 729 A CA -0.802 50.896 52.037 -0.566 0.000 0.744 729 A CB 1.306 19.370 19.000 -1.559 0.000 1.239 729 A HN 0.648 nan 8.150 nan 0.000 0.435 730 R N 2.107 122.508 120.500 -0.165 0.000 2.349 730 R HA 0.467 4.808 4.340 0.001 0.000 0.299 730 R C -1.365 174.786 176.300 -0.247 0.000 1.027 730 R CA -0.295 55.709 56.100 -0.160 0.000 0.958 730 R CB 1.190 31.438 30.300 -0.087 0.000 1.047 730 R HN 0.447 nan 8.270 nan 0.000 0.468 731 V N 6.335 126.085 119.914 -0.274 0.000 2.284 731 V HA 0.100 4.221 4.120 0.001 0.000 0.260 731 V C 0.339 176.347 176.094 -0.143 0.000 1.084 731 V CA -0.532 61.667 62.300 -0.169 0.000 0.894 731 V CB 0.584 32.342 31.823 -0.109 0.000 1.119 731 V HN 0.671 nan 8.190 nan 0.000 0.484 732 E N 2.920 123.055 120.200 -0.107 0.000 2.442 732 E HA -0.000 4.350 4.350 0.001 0.000 0.260 732 E C 1.038 177.609 176.600 -0.048 0.000 1.148 732 E CA -0.115 56.242 56.400 -0.072 0.000 0.976 732 E CB 0.937 30.612 29.700 -0.042 0.000 0.967 732 E HN 0.448 nan 8.360 nan 0.000 0.454 733 E N 1.086 121.264 120.200 -0.036 0.000 2.268 733 E HA -0.147 4.204 4.350 0.001 0.000 0.195 733 E C 1.246 177.841 176.600 -0.009 0.000 0.995 733 E CA 0.772 57.159 56.400 -0.022 0.000 0.836 733 E CB -0.211 29.478 29.700 -0.018 0.000 0.763 733 E HN 0.472 nan 8.360 nan 0.000 0.491 734 N N -0.564 118.133 118.700 -0.006 0.000 2.521 734 N HA -0.006 4.735 4.740 0.001 0.000 0.188 734 N C 1.265 176.782 175.510 0.011 0.000 1.146 734 N CA 0.987 54.039 53.050 0.004 0.000 0.893 734 N CB 0.140 38.632 38.487 0.008 0.000 0.975 734 N HN 0.105 nan 8.380 nan 0.000 0.451 735 G N -0.966 107.838 108.800 0.008 0.000 2.175 735 G HA2 -0.296 3.665 3.960 0.001 0.000 0.244 735 G HA3 -0.296 3.665 3.960 0.001 0.000 0.244 735 G C -0.354 174.564 174.900 0.030 0.000 0.982 735 G CA 0.114 45.225 45.100 0.020 0.000 0.641 735 G HN 0.493 nan 8.290 nan 0.000 0.527 736 E N -0.233 119.982 120.200 0.025 0.000 2.318 736 E HA 0.615 4.966 4.350 0.001 0.000 0.265 736 E C 0.259 176.857 176.600 -0.003 0.000 1.069 736 E CA -0.577 55.852 56.400 0.049 0.000 0.893 736 E CB 1.126 30.861 29.700 0.059 0.000 1.076 736 E HN 0.271 nan 8.360 nan 0.000 0.414 737 L N 1.697 122.920 121.223 0.000 0.000 2.282 737 L HA 0.325 4.666 4.340 0.001 0.000 0.288 737 L C -0.279 176.416 176.870 -0.292 0.000 1.033 737 L CA -0.406 54.288 54.840 -0.242 0.000 0.807 737 L CB 1.493 43.288 42.059 -0.440 0.000 1.209 737 L HN 0.454 nan 8.230 nan 0.000 0.423 738 T N 1.404 115.744 114.554 -0.357 0.000 2.809 738 T HA 0.286 4.637 4.350 0.001 0.000 0.296 738 T C -0.759 173.745 174.700 -0.326 0.000 1.015 738 T CA -0.432 61.539 62.100 -0.215 0.000 0.954 738 T CB 0.324 69.147 68.868 -0.075 0.000 0.950 738 T HN 0.272 nan 8.240 nan 0.000 0.450 739 W N 4.079 125.363 121.300 -0.027 0.000 2.356 739 W HA 0.349 5.010 4.660 0.001 0.000 0.311 739 W C 1.029 177.497 176.519 -0.086 0.000 1.328 739 W CA -0.684 56.628 57.345 -0.055 0.000 1.251 739 W CB 0.258 29.747 29.460 0.048 0.000 1.280 739 W HN 0.615 nan 8.180 nan 0.000 0.524 740 L N 2.057 123.280 121.223 0.001 0.000 2.286 740 L HA 0.256 4.597 4.340 0.001 0.000 0.203 740 L C 0.668 177.412 176.870 -0.209 0.000 1.068 740 L CA 0.680 55.478 54.840 -0.071 0.000 0.811 740 L CB -0.324 41.699 42.059 -0.060 0.000 0.989 740 L HN 0.141 nan 8.230 nan 0.000 0.467 741 K N -1.254 118.910 120.400 -0.393 0.000 2.509 741 K HA 0.468 4.789 4.320 0.001 0.000 0.266 741 K C -0.932 175.206 176.600 -0.770 0.000 0.987 741 K CA -0.544 55.444 56.287 -0.500 0.000 0.868 741 K CB 1.403 33.654 32.500 -0.415 0.000 1.421 741 K HN -0.056 nan 8.250 nan 0.000 0.444 742 H N 0.489 119.458 119.070 -0.168 0.000 2.901 742 H HA 0.235 4.792 4.556 0.001 0.000 0.227 742 H C -0.761 174.348 175.328 -0.366 0.000 1.390 742 H CA -0.706 55.207 56.048 -0.225 0.000 1.120 742 H CB 0.303 30.031 29.762 -0.057 0.000 2.131 742 H HN 0.381 nan 8.280 nan 0.000 0.549 743 N N 3.792 122.249 118.700 -0.404 0.000 2.458 743 N HA 0.048 4.788 4.740 0.001 0.000 0.258 743 N C -2.229 173.017 175.510 -0.439 0.000 1.219 743 N CA -0.938 51.831 53.050 -0.469 0.000 0.902 743 N CB 0.988 39.013 38.487 -0.770 0.000 1.076 743 N HN 0.255 nan 8.380 nan 0.000 0.455 744 P HA 0.136 nan 4.420 nan 0.000 0.275 744 P C 0.428 177.614 177.300 -0.190 0.000 1.227 744 P CA -0.115 62.810 63.100 -0.292 0.000 0.781 744 P CB 1.243 32.813 31.700 -0.217 0.000 0.906 745 I N 0.640 121.028 120.570 -0.303 0.000 4.312 745 I HA 0.140 4.311 4.170 0.001 0.000 0.324 745 I C -0.079 175.836 176.117 -0.337 0.000 1.298 745 I CA 0.447 61.600 61.300 -0.244 0.000 1.231 745 I CB 0.591 38.382 38.000 -0.349 0.000 1.152 745 I HN 0.265 nan 8.210 nan 0.000 0.421 746 Q N 2.046 121.590 119.800 -0.427 0.000 2.334 746 Q HA 0.240 4.581 4.340 0.001 0.000 0.249 746 Q C -1.107 174.740 176.000 -0.256 0.000 0.909 746 Q CA -0.732 54.859 55.803 -0.353 0.000 0.823 746 Q CB 1.132 29.604 28.738 -0.445 0.000 1.353 746 Q HN 0.240 nan 8.270 nan 0.000 0.433 747 K N 2.009 122.318 120.400 -0.152 0.000 2.180 747 K HA 0.793 5.114 4.320 0.001 0.000 0.251 747 K C 0.511 177.148 176.600 0.062 0.000 1.014 747 K CA 0.120 56.373 56.287 -0.057 0.000 0.913 747 K CB 0.479 32.963 32.500 -0.026 0.000 1.008 747 K HN 0.876 nan 8.250 nan 0.000 0.490 748 G N 0.501 109.371 108.800 0.118 0.000 2.642 748 G HA2 -0.218 3.743 3.960 0.001 0.000 0.231 748 G HA3 -0.218 3.743 3.960 0.001 0.000 0.231 748 G C -1.035 174.051 174.900 0.311 0.000 1.338 748 G CA -0.345 44.892 45.100 0.228 0.000 0.883 748 G HN 0.732 nan 8.290 nan 0.000 0.570 749 E N -0.394 120.016 120.200 0.351 0.000 2.529 749 E HA 0.414 4.765 4.350 0.001 0.000 0.259 749 E C -0.437 176.510 176.600 0.578 0.000 0.966 749 E CA 0.741 57.364 56.400 0.373 0.000 0.937 749 E CB 0.684 30.538 29.700 0.257 0.000 0.923 749 E HN 0.718 nan 8.360 nan 0.000 0.468 750 F N 0.796 120.895 119.950 0.248 0.000 2.623 750 F HA 0.469 4.996 4.527 0.001 0.000 0.323 750 F C -0.624 175.221 175.800 0.075 0.000 1.158 750 F CA -0.276 57.821 58.000 0.162 0.000 1.030 750 F CB 0.891 39.919 39.000 0.047 0.000 1.280 750 F HN 0.462 nan 8.300 nan 0.000 0.474 751 A N 3.579 126.146 122.820 -0.421 0.000 2.905 751 A HA 0.519 4.840 4.320 0.001 0.000 0.193 751 A C -1.265 176.169 177.584 -0.249 0.000 1.268 751 A CA -0.220 51.679 52.037 -0.230 0.000 1.416 751 A CB -0.302 18.505 19.000 -0.323 0.000 1.753 751 A HN 0.558 nan 8.150 nan 0.000 0.583 752 Y N 2.561 122.609 120.300 -0.420 0.000 2.578 752 Y HA 0.328 4.878 4.550 0.001 0.000 0.339 752 Y C 0.901 176.645 175.900 -0.261 0.000 1.231 752 Y CA 0.106 58.052 58.100 -0.257 0.000 1.461 752 Y CB 0.222 38.573 38.460 -0.182 0.000 1.323 752 Y HN 0.717 nan 8.280 nan 0.000 0.590 753 N N -0.603 118.110 118.700 0.021 0.000 2.927 753 N HA 0.474 5.215 4.740 0.001 0.000 0.248 753 N C -1.797 173.801 175.510 0.145 0.000 1.443 753 N CA -0.822 52.280 53.050 0.086 0.000 0.870 753 N CB 2.177 40.740 38.487 0.126 0.000 1.444 753 N HN 0.390 nan 8.380 nan 0.000 0.519 754 S N 0.558 116.380 115.700 0.203 0.000 2.720 754 S HA 0.485 4.955 4.470 0.001 0.000 0.278 754 S C -1.193 173.562 174.600 0.259 0.000 1.172 754 S CA -0.673 57.655 58.200 0.213 0.000 1.019 754 S CB 0.328 63.655 63.200 0.211 0.000 1.049 754 S HN 0.461 nan 8.310 nan 0.000 0.483 755 L N 4.117 125.489 121.223 0.248 0.000 2.357 755 L HA 0.677 5.018 4.340 0.001 0.000 0.273 755 L C -0.078 176.959 176.870 0.278 0.000 1.080 755 L CA -0.503 54.504 54.840 0.279 0.000 0.803 755 L CB 1.312 43.526 42.059 0.260 0.000 1.174 755 L HN 0.549 nan 8.230 nan 0.000 0.443 756 Q N 1.799 121.777 119.800 0.297 0.000 2.340 756 Q HA 0.249 4.590 4.340 0.001 0.000 0.276 756 Q C -1.348 174.817 176.000 0.274 0.000 1.048 756 Q CA -0.664 55.305 55.803 0.276 0.000 0.832 756 Q CB 2.743 31.641 28.738 0.266 0.000 1.373 756 Q HN 0.569 nan 8.270 nan 0.000 0.409 757 E N 2.332 122.682 120.200 0.251 0.000 2.259 757 E HA 0.232 4.583 4.350 0.001 0.000 0.281 757 E C 0.063 176.668 176.600 0.009 0.000 1.027 757 E CA -0.003 56.477 56.400 0.133 0.000 0.838 757 E CB 0.580 30.382 29.700 0.171 0.000 1.066 757 E HN 0.581 nan 8.360 nan 0.000 0.401 758 L N 3.705 124.850 121.223 -0.129 0.000 2.513 758 L HA 0.391 4.732 4.340 0.001 0.000 0.222 758 L C 0.964 177.774 176.870 -0.100 0.000 1.096 758 L CA 0.402 55.200 54.840 -0.069 0.000 0.857 758 L CB -0.173 41.857 42.059 -0.048 0.000 1.026 758 L HN 0.867 nan 8.230 nan 0.000 0.469 759 G N 0.562 109.253 108.800 -0.183 0.000 2.629 759 G HA2 -0.203 3.758 3.960 0.001 0.000 0.686 759 G HA3 -0.203 3.758 3.960 0.001 0.000 0.686 759 G C 0.046 174.866 174.900 -0.133 0.000 1.232 759 G CA -0.245 44.777 45.100 -0.130 0.000 0.803 759 G HN 0.316 nan 8.290 nan 0.000 0.638 760 N N -0.907 117.739 118.700 -0.089 0.000 2.754 760 N HA 0.157 4.898 4.740 0.001 0.000 0.248 760 N C 1.778 177.256 175.510 -0.053 0.000 1.093 760 N CA 3.154 56.169 53.050 -0.058 0.000 0.699 760 N CB -0.955 37.507 38.487 -0.041 0.000 1.016 760 N HN 2.741 nan 8.380 nan 0.000 0.552 761 G N -1.696 107.054 108.800 -0.085 0.000 2.159 761 G HA2 -0.308 3.653 3.960 0.001 0.000 0.256 761 G HA3 -0.308 3.653 3.960 0.001 0.000 0.256 761 G C -0.197 174.643 174.900 -0.100 0.000 0.977 761 G CA 0.617 45.719 45.100 0.004 0.000 0.652 761 G HN 0.632 nan 8.290 nan 0.000 0.531 762 E N -1.018 118.984 120.200 -0.330 0.000 2.221 762 E HA 0.717 5.068 4.350 0.001 0.000 0.268 762 E C -0.914 175.237 176.600 -0.748 0.000 0.933 762 E CA -0.816 55.380 56.400 -0.341 0.000 0.809 762 E CB 1.338 30.947 29.700 -0.152 0.000 1.190 762 E HN 0.304 nan 8.360 nan 0.000 0.406 763 Y N -0.808 119.253 120.300 -0.397 0.000 2.553 763 Y HA 0.600 5.151 4.550 0.001 0.000 0.347 763 Y C 0.371 175.939 175.900 -0.553 0.000 1.019 763 Y CA -0.973 56.815 58.100 -0.521 0.000 1.032 763 Y CB 2.440 40.369 38.460 -0.884 0.000 1.284 763 Y HN 0.597 nan 8.280 nan 0.000 0.466 764 G N 1.195 109.979 108.800 -0.026 0.000 2.533 764 G HA2 0.752 4.713 3.960 0.001 0.000 0.304 764 G HA3 0.752 4.713 3.960 0.001 0.000 0.304 764 G C -1.982 173.038 174.900 0.199 0.000 1.263 764 G CA -0.854 44.294 45.100 0.079 0.000 0.964 764 G HN 0.664 nan 8.290 nan 0.000 0.479 765 I N 0.506 121.127 120.570 0.084 0.000 2.680 765 I HA 0.490 4.661 4.170 0.001 0.000 0.291 765 I C -1.880 174.440 176.117 0.338 0.000 1.244 765 I CA -0.971 60.507 61.300 0.296 0.000 1.042 765 I CB 2.112 40.342 38.000 0.382 0.000 1.277 765 I HN 0.442 nan 8.210 nan 0.000 0.423 766 L N 9.198 130.647 121.223 0.377 0.000 2.313 766 L HA 0.646 4.987 4.340 0.001 0.000 0.283 766 L C -1.366 175.635 176.870 0.217 0.000 1.013 766 L CA -0.146 54.848 54.840 0.257 0.000 0.816 766 L CB 1.229 43.425 42.059 0.230 0.000 1.236 766 L HN 0.540 nan 8.230 nan 0.000 0.419 767 Y N 0.999 121.318 120.300 0.032 0.000 2.625 767 Y HA 0.655 5.206 4.550 0.001 0.000 0.338 767 Y C -0.920 174.879 175.900 -0.168 0.000 1.123 767 Y CA -1.270 56.751 58.100 -0.132 0.000 1.046 767 Y CB 0.951 39.276 38.460 -0.225 0.000 1.299 767 Y HN 0.538 nan 8.280 nan 0.000 0.464 768 E N 1.445 121.532 120.200 -0.189 0.000 2.259 768 E HA 0.356 4.706 4.350 0.001 0.000 0.281 768 E C -1.441 175.150 176.600 -0.017 0.000 1.027 768 E CA -0.338 55.893 56.400 -0.282 0.000 0.838 768 E CB 0.929 30.150 29.700 -0.799 0.000 1.066 768 E HN 0.721 nan 8.360 nan 0.000 0.401 769 H N 0.582 119.741 119.070 0.148 0.000 3.037 769 H HA 0.369 4.926 4.556 0.001 0.000 0.336 769 H C -1.518 174.003 175.328 0.321 0.000 1.323 769 H CA -0.507 55.736 56.048 0.324 0.000 1.159 769 H CB 1.625 31.636 29.762 0.415 0.000 1.882 769 H HN 0.503 nan 8.280 nan 0.000 0.535 770 T N 0.924 115.141 114.554 -0.562 0.000 2.883 770 T HA 0.689 5.039 4.350 0.001 0.000 0.301 770 T C -1.170 173.186 174.700 -0.573 0.000 1.158 770 T CA -0.645 61.201 62.100 -0.424 0.000 1.007 770 T CB 2.510 71.250 68.868 -0.214 0.000 1.186 770 T HN 0.871 nan 8.240 nan 0.000 0.499 771 E N 0.028 120.076 120.200 -0.253 0.000 2.389 771 E HA 0.372 4.722 4.350 0.001 0.000 0.281 771 E C -1.238 175.338 176.600 -0.041 0.000 1.072 771 E CA -1.439 54.900 56.400 -0.102 0.000 0.845 771 E CB 0.909 30.619 29.700 0.016 0.000 1.239 771 E HN 0.710 nan 8.360 nan 0.000 0.434 772 K N 0.497 120.888 120.400 -0.015 0.000 3.096 772 K HA -0.245 4.076 4.320 0.001 0.000 0.266 772 K C 0.646 177.232 176.600 -0.022 0.000 1.043 772 K CA 0.893 57.176 56.287 -0.008 0.000 0.758 772 K CB -1.933 30.571 32.500 0.007 0.000 1.260 772 K HN 1.310 nan 8.250 nan 0.000 0.481 773 G N 0.102 108.879 108.800 -0.038 0.000 2.143 773 G HA2 -0.350 3.611 3.960 0.001 0.000 0.249 773 G HA3 -0.350 3.611 3.960 0.001 0.000 0.249 773 G C -0.036 174.828 174.900 -0.058 0.000 0.981 773 G CA 0.482 45.554 45.100 -0.046 0.000 0.665 773 G HN 0.458 nan 8.290 nan 0.000 0.528 774 Q N 0.292 120.051 119.800 -0.068 0.000 2.337 774 Q HA 0.265 4.606 4.340 0.001 0.000 0.270 774 Q C 0.703 176.638 176.000 -0.109 0.000 1.002 774 Q CA -0.040 55.720 55.803 -0.071 0.000 0.888 774 Q CB 0.406 29.104 28.738 -0.065 0.000 1.222 774 Q HN 0.630 nan 8.270 nan 0.000 0.400 775 N N 0.367 119.009 118.700 -0.097 0.000 2.479 775 N HA 0.187 4.928 4.740 0.001 0.000 0.257 775 N C -0.760 174.627 175.510 -0.205 0.000 1.232 775 N CA -0.495 52.471 53.050 -0.140 0.000 0.920 775 N CB 0.613 39.036 38.487 -0.106 0.000 1.105 775 N HN 0.564 nan 8.380 nan 0.000 0.444 776 A N 2.390 125.001 122.820 -0.348 0.000 2.444 776 A HA 0.249 4.570 4.320 0.001 0.000 0.273 776 A C -1.073 176.358 177.584 -0.256 0.000 1.136 776 A CA 0.353 51.997 52.037 -0.656 0.000 0.799 776 A CB -0.418 17.992 19.000 -0.982 0.000 1.081 776 A HN 0.639 nan 8.150 nan 0.000 0.509 777 Y N 0.065 120.326 120.300 -0.064 0.000 2.665 777 Y HA 0.540 5.090 4.550 0.001 0.000 0.336 777 Y C 0.636 176.544 175.900 0.014 0.000 1.085 777 Y CA -0.512 57.563 58.100 -0.042 0.000 1.096 777 Y CB 2.191 40.618 38.460 -0.055 0.000 1.301 777 Y HN 0.486 nan 8.280 nan 0.000 0.493 778 T N 2.778 117.455 114.554 0.205 0.000 2.779 778 T HA 0.458 4.809 4.350 0.001 0.000 0.280 778 T C -1.194 173.544 174.700 0.063 0.000 0.987 778 T CA -0.510 61.663 62.100 0.121 0.000 0.966 778 T CB 0.303 69.211 68.868 0.067 0.000 0.933 778 T HN 0.160 nan 8.240 nan 0.000 0.442 779 L N 3.698 124.932 121.223 0.018 0.000 2.260 779 L HA 0.490 4.830 4.340 0.001 0.000 0.289 779 L C 0.406 177.147 176.870 -0.215 0.000 1.057 779 L CA 0.254 55.047 54.840 -0.079 0.000 0.811 779 L CB 1.026 43.119 42.059 0.055 0.000 1.184 779 L HN 0.600 nan 8.230 nan 0.000 0.429 780 S N 2.819 118.256 115.700 -0.438 0.000 2.600 780 S HA 0.671 5.141 4.470 0.001 0.000 0.300 780 S C -0.957 173.384 174.600 -0.431 0.000 1.087 780 S CA -0.516 57.415 58.200 -0.447 0.000 0.965 780 S CB 1.907 64.849 63.200 -0.431 0.000 1.089 780 S HN 0.331 nan 8.310 nan 0.000 0.496 781 F N 1.476 121.257 119.950 -0.282 0.000 2.522 781 F HA 0.720 5.248 4.527 0.001 0.000 0.324 781 F C -0.246 175.634 175.800 0.134 0.000 1.077 781 F CA -0.604 57.372 58.000 -0.041 0.000 0.944 781 F CB 1.115 40.107 39.000 -0.013 0.000 1.175 781 F HN 0.448 nan 8.300 nan 0.000 0.468 782 R N 3.869 123.931 120.500 -0.730 0.000 2.698 782 R HA 0.375 4.716 4.340 0.001 0.000 0.275 782 R C -1.710 174.144 176.300 -0.743 0.000 1.001 782 R CA -1.260 54.560 56.100 -0.466 0.000 0.896 782 R CB 2.701 32.978 30.300 -0.038 0.000 1.218 782 R HN 0.657 nan 8.270 nan 0.000 0.462 783 K N 2.814 123.015 120.400 -0.332 0.000 2.324 783 K HA 0.509 4.830 4.320 0.001 0.000 0.253 783 K C -1.441 175.151 176.600 -0.014 0.000 0.932 783 K CA -0.531 55.648 56.287 -0.179 0.000 0.799 783 K CB 1.061 33.566 32.500 0.008 0.000 1.154 783 K HN 0.430 nan 8.250 nan 0.000 0.425 784 F N 0.681 120.608 119.950 -0.039 0.000 2.613 784 F HA 0.474 5.002 4.527 0.001 0.000 0.314 784 F C -0.671 175.242 175.800 0.188 0.000 1.075 784 F CA -1.114 56.867 58.000 -0.033 0.000 0.945 784 F CB 0.805 39.721 39.000 -0.140 0.000 1.310 784 F HN 0.643 nan 8.300 nan 0.000 0.467 785 N N 0.017 118.947 118.700 0.384 0.000 2.671 785 N HA 0.157 4.898 4.740 0.001 0.000 0.303 785 N C 0.242 176.057 175.510 0.507 0.000 1.277 785 N CA -0.998 52.275 53.050 0.370 0.000 0.933 785 N CB 1.297 39.935 38.487 0.251 0.000 1.190 785 N HN 0.906 nan 8.380 nan 0.000 0.600 786 W N 0.619 122.080 121.300 0.269 0.000 2.363 786 W HA -0.162 4.498 4.660 0.001 0.000 0.296 786 W C 0.488 177.019 176.519 0.020 0.000 1.212 786 W CA 1.555 58.964 57.345 0.106 0.000 1.260 786 W CB -0.327 29.092 29.460 -0.069 0.000 1.131 786 W HN 0.613 nan 8.180 nan 0.000 0.530 787 D N 0.034 120.531 120.400 0.163 0.000 2.144 787 D HA -0.203 4.438 4.640 0.001 0.000 0.199 787 D C 1.812 178.084 176.300 -0.047 0.000 0.984 787 D CA 1.470 55.494 54.000 0.041 0.000 0.834 787 D CB -0.938 39.938 40.800 0.127 0.000 0.955 787 D HN 0.184 nan 8.370 nan 0.000 0.465 788 F N 1.328 121.238 119.950 -0.066 0.000 2.186 788 F HA -0.131 4.397 4.527 0.001 0.000 0.299 788 F C 2.003 177.646 175.800 -0.261 0.000 1.090 788 F CA 0.726 58.658 58.000 -0.113 0.000 1.307 788 F CB -0.202 38.786 39.000 -0.020 0.000 1.019 788 F HN -0.099 nan 8.300 nan 0.000 0.489 789 L N 0.281 121.262 121.223 -0.403 0.000 2.109 789 L HA -0.025 4.316 4.340 0.001 0.000 0.207 789 L C 2.282 178.657 176.870 -0.826 0.000 1.086 789 L CA 2.153 56.583 54.840 -0.684 0.000 0.760 789 L CB -0.869 40.854 42.059 -0.559 0.000 0.910 789 L HN 0.283 nan 8.230 nan 0.000 0.437 790 S N -2.582 112.583 115.700 -0.893 0.000 2.524 790 S HA 0.215 4.686 4.470 0.001 0.000 0.215 790 S C 0.664 175.010 174.600 -0.423 0.000 0.986 790 S CA -0.439 57.303 58.200 -0.765 0.000 0.911 790 S CB -0.112 62.497 63.200 -0.985 0.000 0.805 790 S HN 0.315 nan 8.310 nan 0.000 0.501 791 K N 1.693 121.873 120.400 -0.367 0.000 2.259 791 K HA 0.389 4.710 4.320 0.001 0.000 0.249 791 K C -1.279 175.171 176.600 -0.251 0.000 0.942 791 K CA -0.831 55.317 56.287 -0.232 0.000 0.816 791 K CB 0.964 33.382 32.500 -0.136 0.000 1.155 791 K HN 0.142 nan 8.250 nan 0.000 0.428 792 D N 2.089 122.383 120.400 -0.176 0.000 2.423 792 D HA 0.050 4.691 4.640 0.001 0.000 0.238 792 D C 0.471 176.681 176.300 -0.150 0.000 1.142 792 D CA 0.357 54.258 54.000 -0.164 0.000 0.884 792 D CB 0.719 41.456 40.800 -0.104 0.000 1.199 792 D HN 0.221 nan 8.370 nan 0.000 0.438 793 L N 0.000 121.129 121.223 -0.157 0.000 2.949 793 L HA 0.000 4.341 4.340 0.001 0.000 0.249 793 L CA 0.000 54.775 54.840 -0.108 0.000 0.813 793 L CB 0.000 41.986 42.059 -0.122 0.000 0.961 793 L HN 0.000 nan 8.230 nan 0.000 0.502