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 1t3e_1_A DATA FIRST_RESID 318 DATA SEQUENCE MSPFPLTSMD KAFITVLEMT PVLGTEIINY RDGMGRVLAQ DVYAKDNLPP DATA SEQUENCE FPASVKDGYA VRAADGPGDR FIIGESQAGE QPTQTVMPGQ VMRVTTGAPI DATA SEQUENCE PCGADAVVQV EDTELIRESD DGTEELEVRI LVQARPGQDI RPIGHDIKRG DATA SEQUENCE ECVLAKGTHM GPSEIGLLAT VGVTEVEVNK FPVVAVMSTG NELLNPEDDL DATA SEQUENCE LPGKIRDSNR STLLATIQEH GYPTINLGIV GDNPDDLLNA LNEGISRADV DATA SEQUENCE IITSGGVXXX XXDYLKQVLD IDLHAQIHFG RVFMKPGLPT TFATLDIDGV DATA SEQUENCE RKIIFALPGN PVSAVVTCNL FVVPALRKMQ GILDPRPTII KARLSCDVKL DATA SEQUENCE DPRPEYHRCI LTWHHQEPLP WAQSTGNQMS XXLMSMRSAN GLLMLPPKTE DATA SEQUENCE QYVELHKGEV VDVMVIGRL 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 318 M HA 0.000 nan 4.480 nan 0.000 0.227 318 M C 0.000 176.298 176.300 -0.003 0.000 1.140 318 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 318 M CB 0.000 nan 32.600 nan 0.000 1.302 319 S N 1.580 117.286 115.700 0.010 0.000 2.655 319 S HA 0.698 5.168 4.470 -0.000 0.000 0.265 319 S C -0.615 173.981 174.600 -0.005 0.000 1.240 319 S CA -0.607 57.610 58.200 0.027 0.000 0.986 319 S CB -0.189 nan 63.200 nan 0.000 0.985 319 S HN 0.894 nan 8.310 nan 0.000 0.562 320 P HA 0.141 nan 4.420 nan 0.000 0.220 320 P C -0.535 176.544 177.300 -0.367 0.000 1.152 320 P CA 0.822 63.808 63.100 -0.191 0.000 0.812 320 P CB 0.048 31.649 31.700 -0.165 0.000 0.792 321 F N 0.287 120.248 119.950 0.019 0.000 2.546 321 F HA 0.464 4.991 4.527 -0.000 0.000 0.320 321 F C -2.147 173.673 175.800 0.034 0.000 1.076 321 F CA -2.813 55.207 58.000 0.033 0.000 0.928 321 F CB 1.191 40.223 39.000 0.054 0.000 1.189 321 F HN -0.320 nan 8.300 nan 0.000 0.465 322 P HA 0.138 nan 4.420 nan 0.000 0.271 322 P C -0.867 176.514 177.300 0.136 0.000 1.216 322 P CA -0.370 62.813 63.100 0.138 0.000 0.776 322 P CB 0.722 32.495 31.700 0.122 0.000 0.881 323 L N 3.346 124.603 121.223 0.057 0.000 2.456 323 L HA 0.185 4.524 4.340 -0.000 0.000 0.277 323 L C -0.229 176.657 176.870 0.027 0.000 1.124 323 L CA 0.546 55.400 54.840 0.023 0.000 0.880 323 L CB -0.373 41.626 42.059 -0.100 0.000 1.192 323 L HN 0.325 nan 8.230 nan 0.000 0.463 324 T N 3.218 117.801 114.554 0.048 0.000 2.856 324 T HA 0.241 4.591 4.350 -0.000 0.000 0.292 324 T C 0.436 175.155 174.700 0.032 0.000 0.980 324 T CA -0.508 61.598 62.100 0.010 0.000 1.091 324 T CB 0.926 69.734 68.868 -0.100 0.000 0.936 324 T HN 0.713 nan 8.240 nan 0.000 0.503 325 S N 2.809 118.543 115.700 0.056 0.000 2.558 325 S HA -0.004 4.466 4.470 -0.000 0.000 0.288 325 S C 1.535 176.186 174.600 0.084 0.000 1.318 325 S CA -0.633 57.633 58.200 0.110 0.000 1.056 325 S CB 0.309 63.565 63.200 0.092 0.000 0.853 325 S HN 0.752 nan 8.310 nan 0.000 0.505 326 M N 2.938 122.621 119.600 0.139 0.000 2.082 326 M HA -0.164 4.316 4.480 -0.000 0.000 0.258 326 M C 1.366 177.759 176.300 0.155 0.000 1.071 326 M CA 1.994 57.386 55.300 0.153 0.000 1.103 326 M CB -0.920 31.775 32.600 0.157 0.000 1.307 326 M HN 0.764 nan 8.290 nan 0.000 0.409 327 D N -0.490 119.976 120.400 0.109 0.000 2.092 327 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 327 D C 1.986 178.362 176.300 0.127 0.000 0.994 327 D CA 1.576 55.628 54.000 0.087 0.000 0.828 327 D CB -0.066 40.755 40.800 0.036 0.000 0.963 327 D HN 0.345 nan 8.370 nan 0.000 0.450 328 K N -0.099 120.354 120.400 0.088 0.000 2.063 328 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 328 K C 2.053 178.688 176.600 0.058 0.000 1.048 328 K CA 1.019 57.353 56.287 0.079 0.000 0.928 328 K CB -0.124 32.413 32.500 0.060 0.000 0.713 328 K HN 0.099 nan 8.250 nan 0.000 0.442 329 A N 1.024 123.803 122.820 -0.068 0.000 1.865 329 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 329 A C 1.978 179.579 177.584 0.028 0.000 1.191 329 A CA 1.447 53.248 52.037 -0.393 0.000 0.623 329 A CB -0.805 17.730 19.000 -0.776 0.000 0.826 329 A HN 0.384 nan 8.150 nan 0.000 0.444 330 F N 0.122 120.176 119.950 0.174 0.000 2.026 330 F HA -0.183 4.344 4.527 -0.000 0.000 0.296 330 F C 1.992 177.863 175.800 0.119 0.000 1.133 330 F CA 1.797 59.960 58.000 0.272 0.000 1.188 330 F CB -0.615 38.488 39.000 0.171 0.000 0.968 330 F HN 0.189 nan 8.300 nan 0.000 0.476 331 I N -0.173 120.700 120.570 0.504 0.000 2.315 331 I HA -0.374 3.796 4.170 -0.000 0.000 0.251 331 I C 2.139 178.372 176.117 0.194 0.000 1.125 331 I CA 1.996 63.491 61.300 0.325 0.000 1.392 331 I CB -0.444 37.669 38.000 0.188 0.000 1.065 331 I HN 0.271 nan 8.210 nan 0.000 0.424 332 T N -0.673 113.984 114.554 0.171 0.000 2.701 332 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 332 T C 1.943 176.696 174.700 0.088 0.000 1.040 332 T CA 1.549 63.745 62.100 0.159 0.000 1.147 332 T CB -0.388 68.660 68.868 0.301 0.000 0.865 332 T HN 0.141 nan 8.240 nan 0.000 0.426 333 V N 1.576 121.424 119.914 -0.109 0.000 2.332 333 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 333 V C 2.512 178.480 176.094 -0.210 0.000 1.055 333 V CA 1.485 63.437 62.300 -0.580 0.000 1.038 333 V CB -0.651 30.762 31.823 -0.685 0.000 0.651 333 V HN 0.416 nan 8.190 nan 0.000 0.450 334 L N -0.596 120.567 121.223 -0.101 0.000 1.976 334 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 334 L C 2.608 179.502 176.870 0.040 0.000 1.071 334 L CA 2.137 56.973 54.840 -0.007 0.000 0.746 334 L CB -0.567 41.548 42.059 0.092 0.000 0.890 334 L HN 0.369 nan 8.230 nan 0.000 0.432 335 E N -0.683 119.553 120.200 0.060 0.000 2.118 335 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 335 E C 2.189 178.809 176.600 0.034 0.000 0.992 335 E CA 1.351 57.782 56.400 0.051 0.000 0.804 335 E CB 0.116 29.849 29.700 0.054 0.000 0.741 335 E HN 0.262 nan 8.360 nan 0.000 0.458 336 M N 0.247 119.873 119.600 0.043 0.000 2.254 336 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 336 M C 0.766 177.108 176.300 0.070 0.000 1.066 336 M CA 0.916 56.224 55.300 0.014 0.000 1.123 336 M CB -0.722 31.869 32.600 -0.015 0.000 1.388 336 M HN -0.134 nan 8.290 nan 0.000 0.425 337 T N 3.240 117.863 114.554 0.115 0.000 2.916 337 T HA 0.149 4.499 4.350 -0.000 0.000 0.303 337 T C -1.944 172.786 174.700 0.050 0.000 1.025 337 T CA -0.978 61.179 62.100 0.095 0.000 1.142 337 T CB 0.531 69.447 68.868 0.080 0.000 0.947 337 T HN 0.186 nan 8.240 nan 0.000 0.544 338 P HA 0.330 nan 4.420 nan 0.000 0.312 338 P C -0.794 176.523 177.300 0.028 0.000 1.307 338 P CA -0.416 62.700 63.100 0.027 0.000 0.738 338 P CB 0.603 32.315 31.700 0.020 0.000 1.422 339 V N -0.055 119.875 119.914 0.026 0.000 2.623 339 V HA 0.216 4.336 4.120 -0.000 0.000 0.304 339 V C 0.516 176.627 176.094 0.029 0.000 1.054 339 V CA -0.676 61.642 62.300 0.029 0.000 0.882 339 V CB 1.576 33.418 31.823 0.031 0.000 1.002 339 V HN 0.324 nan 8.190 nan 0.000 0.424 340 L N 3.201 124.445 121.223 0.034 0.000 2.474 340 L HA 0.471 4.811 4.340 -0.000 0.000 0.259 340 L C 1.397 178.286 176.870 0.032 0.000 1.232 340 L CA 0.716 55.577 54.840 0.034 0.000 0.821 340 L CB 0.277 42.363 42.059 0.046 0.000 1.108 340 L HN 0.768 nan 8.230 nan 0.000 0.495 341 G N -0.655 108.161 108.800 0.027 0.000 2.653 341 G HA2 0.406 4.366 3.960 -0.000 0.000 0.265 341 G HA3 0.406 4.366 3.960 -0.000 0.000 0.265 341 G C -0.096 174.816 174.900 0.021 0.000 1.237 341 G CA 0.093 45.206 45.100 0.022 0.000 0.946 341 G HN 0.673 nan 8.290 nan 0.000 0.522 342 T N -2.704 111.859 114.554 0.015 0.000 2.880 342 T HA 0.694 5.044 4.350 -0.000 0.000 0.279 342 T C -0.355 174.346 174.700 0.002 0.000 0.990 342 T CA -0.561 61.544 62.100 0.009 0.000 0.938 342 T CB 2.009 70.883 68.868 0.011 0.000 1.206 342 T HN 0.563 nan 8.240 nan 0.000 0.573 343 E N -0.616 119.580 120.200 -0.007 0.000 2.401 343 E HA 0.368 4.718 4.350 -0.000 0.000 0.283 343 E C -1.971 174.619 176.600 -0.017 0.000 1.053 343 E CA -0.643 55.749 56.400 -0.014 0.000 0.842 343 E CB 2.284 31.966 29.700 -0.030 0.000 1.222 343 E HN 0.624 nan 8.360 nan 0.000 0.429 344 I N 4.113 124.676 120.570 -0.012 0.000 2.336 344 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 344 I C -0.272 175.836 176.117 -0.015 0.000 0.991 344 I CA -0.323 60.972 61.300 -0.007 0.000 1.227 344 I CB 1.105 39.107 38.000 0.004 0.000 1.366 344 I HN 0.329 nan 8.210 nan 0.000 0.466 345 I N 3.811 124.370 120.570 -0.017 0.000 2.730 345 I HA 0.543 4.713 4.170 -0.000 0.000 0.298 345 I C -0.472 175.644 176.117 -0.001 0.000 1.089 345 I CA -0.928 60.355 61.300 -0.028 0.000 1.041 345 I CB 1.870 39.828 38.000 -0.070 0.000 1.235 345 I HN 0.427 nan 8.210 nan 0.000 0.423 346 N N 4.031 122.722 118.700 -0.015 0.000 2.468 346 N HA -0.052 4.688 4.740 -0.000 0.000 0.265 346 N C 0.849 176.328 175.510 -0.052 0.000 1.199 346 N CA 0.228 53.275 53.050 -0.005 0.000 0.928 346 N CB 0.681 39.129 38.487 -0.065 0.000 1.059 346 N HN 0.888 nan 8.380 nan 0.000 0.467 347 Y N 4.227 124.514 120.300 -0.022 0.000 2.283 347 Y HA -0.193 4.357 4.550 -0.000 0.000 0.285 347 Y C 1.729 177.614 175.900 -0.025 0.000 1.176 347 Y CA 1.073 59.157 58.100 -0.025 0.000 1.229 347 Y CB -0.182 38.266 38.460 -0.020 0.000 0.975 347 Y HN 0.426 nan 8.280 nan 0.000 0.537 348 R N 0.622 120.578 120.500 -0.907 0.000 2.115 348 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 348 R C 0.638 176.783 176.300 -0.258 0.000 1.111 348 R CA 1.357 57.085 56.100 -0.621 0.000 0.976 348 R CB -0.458 29.471 30.300 -0.618 0.000 0.870 348 R HN 0.519 nan 8.270 nan 0.000 0.445 349 D N -0.308 119.975 120.400 -0.196 0.000 2.328 349 D HA 0.035 4.675 4.640 -0.000 0.000 0.226 349 D C 1.573 177.821 176.300 -0.087 0.000 1.066 349 D CA 0.330 54.264 54.000 -0.110 0.000 0.861 349 D CB -0.052 40.691 40.800 -0.095 0.000 0.912 349 D HN 0.287 nan 8.370 nan 0.000 0.521 350 G N 0.405 109.160 108.800 -0.075 0.000 2.443 350 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 350 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 350 G C 0.942 175.818 174.900 -0.040 0.000 1.131 350 G CA -0.022 45.050 45.100 -0.047 0.000 0.775 350 G HN 0.128 nan 8.290 nan 0.000 0.547 351 M N 1.120 120.704 119.600 -0.026 0.000 2.323 351 M HA 0.146 4.626 4.480 -0.000 0.000 0.386 351 M C 1.584 177.904 176.300 0.034 0.000 1.525 351 M CA 0.889 56.180 55.300 -0.014 0.000 0.914 351 M CB -0.569 32.029 32.600 -0.003 0.000 2.042 351 M HN 0.507 nan 8.290 nan 0.000 0.483 352 G N 3.891 112.652 108.800 -0.065 0.000 2.143 352 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 352 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 352 G C 0.321 175.315 174.900 0.155 0.000 0.991 352 G CA 0.517 45.578 45.100 -0.064 0.000 0.689 352 G HN 0.609 nan 8.290 nan 0.000 0.522 353 R N -1.306 119.222 120.500 0.047 0.000 2.782 353 R HA 0.740 5.080 4.340 -0.000 0.000 0.258 353 R C -0.126 176.270 176.300 0.159 0.000 1.055 353 R CA -0.534 55.649 56.100 0.138 0.000 1.065 353 R CB 1.608 31.854 30.300 -0.090 0.000 1.172 353 R HN 0.110 nan 8.270 nan 0.000 0.510 354 V N 2.998 123.026 119.914 0.191 0.000 2.417 354 V HA 0.310 4.429 4.120 -0.000 0.000 0.291 354 V C -0.130 176.009 176.094 0.075 0.000 1.024 354 V CA -0.811 61.591 62.300 0.169 0.000 0.861 354 V CB 1.629 33.563 31.823 0.186 0.000 0.985 354 V HN 0.583 nan 8.190 nan 0.000 0.436 355 L N 3.953 125.208 121.223 0.052 0.000 2.477 355 L HA 0.259 4.599 4.340 -0.000 0.000 0.272 355 L C 1.166 178.052 176.870 0.027 0.000 1.157 355 L CA 0.110 54.965 54.840 0.025 0.000 0.889 355 L CB 1.090 43.155 42.059 0.010 0.000 1.158 355 L HN 0.843 nan 8.230 nan 0.000 0.473 356 A N 4.574 127.406 122.820 0.021 0.000 2.462 356 A HA 0.246 4.566 4.320 -0.000 0.000 0.261 356 A C 0.205 177.802 177.584 0.022 0.000 1.323 356 A CA -0.170 51.881 52.037 0.023 0.000 0.913 356 A CB -0.109 18.903 19.000 0.021 0.000 1.028 356 A HN 0.795 nan 8.150 nan 0.000 0.511 357 Q N -1.124 118.688 119.800 0.019 0.000 2.482 357 Q HA 0.456 4.796 4.340 -0.000 0.000 0.286 357 Q C -1.880 174.125 176.000 0.009 0.000 1.007 357 Q CA -1.002 54.816 55.803 0.025 0.000 0.801 357 Q CB 1.024 29.780 28.738 0.031 0.000 1.455 357 Q HN 0.130 nan 8.270 nan 0.000 0.398 358 D N 0.610 121.021 120.400 0.018 0.000 2.312 358 D HA 0.444 5.084 4.640 -0.000 0.000 0.248 358 D C -0.681 175.574 176.300 -0.074 0.000 1.086 358 D CA -0.211 53.753 54.000 -0.061 0.000 0.948 358 D CB 1.989 42.758 40.800 -0.051 0.000 1.162 358 D HN 0.305 nan 8.370 nan 0.000 0.446 359 V N 2.054 121.834 119.914 -0.224 0.000 2.531 359 V HA 0.282 4.402 4.120 -0.000 0.000 0.301 359 V C -1.079 174.835 176.094 -0.301 0.000 1.034 359 V CA -0.764 61.452 62.300 -0.140 0.000 0.865 359 V CB 1.085 32.856 31.823 -0.087 0.000 0.995 359 V HN 0.405 nan 8.190 nan 0.000 0.424 360 Y N 1.797 122.087 120.300 -0.017 0.000 2.468 360 Y HA 0.737 5.287 4.550 -0.000 0.000 0.342 360 Y C 0.622 176.507 175.900 -0.025 0.000 1.021 360 Y CA -0.760 57.328 58.100 -0.019 0.000 1.079 360 Y CB 1.853 40.304 38.460 -0.015 0.000 1.226 360 Y HN 0.738 nan 8.280 nan 0.000 0.460 361 A N 2.574 125.466 122.820 0.120 0.000 2.488 361 A HA 0.161 4.481 4.320 -0.000 0.000 0.249 361 A C 1.270 178.889 177.584 0.058 0.000 1.083 361 A CA -0.292 51.778 52.037 0.054 0.000 0.768 361 A CB 0.339 19.354 19.000 0.024 0.000 1.017 361 A HN 1.004 nan 8.150 nan 0.000 0.496 362 K N 0.762 121.180 120.400 0.029 0.000 2.186 362 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 362 K C -0.449 176.157 176.600 0.011 0.000 1.052 362 K CA 1.572 57.870 56.287 0.019 0.000 0.965 362 K CB 0.086 32.592 32.500 0.009 0.000 0.746 362 K HN 0.914 nan 8.250 nan 0.000 0.457 363 D N -0.960 119.443 120.400 0.005 0.000 2.636 363 D HA 0.169 4.809 4.640 -0.000 0.000 0.275 363 D C -1.065 175.230 176.300 -0.009 0.000 1.130 363 D CA -0.837 53.164 54.000 0.002 0.000 1.031 363 D CB 0.210 41.013 40.800 0.005 0.000 1.451 363 D HN -0.045 nan 8.370 nan 0.000 0.505 364 N N -0.224 118.466 118.700 -0.015 0.000 2.529 364 N HA 0.375 5.115 4.740 -0.000 0.000 0.278 364 N C -0.922 174.548 175.510 -0.066 0.000 1.146 364 N CA -0.499 52.531 53.050 -0.033 0.000 0.980 364 N CB 1.666 40.134 38.487 -0.032 0.000 1.124 364 N HN 0.285 nan 8.380 nan 0.000 0.458 365 L N 3.919 125.098 121.223 -0.072 0.000 2.319 365 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 365 L C -2.471 174.333 176.870 -0.110 0.000 1.005 365 L CA -1.883 52.892 54.840 -0.109 0.000 0.828 365 L CB 1.641 43.654 42.059 -0.078 0.000 1.227 365 L HN 0.376 nan 8.230 nan 0.000 0.415 366 P HA 0.301 nan 4.420 nan 0.000 0.274 366 P C -2.541 174.534 177.300 -0.375 0.000 1.246 366 P CA -1.556 61.300 63.100 -0.406 0.000 0.795 366 P CB 0.386 31.718 31.700 -0.614 0.000 1.006 367 P HA 0.071 nan 4.420 nan 0.000 0.233 367 P C -0.372 176.921 177.300 -0.013 0.000 1.167 367 P CA 1.081 64.104 63.100 -0.128 0.000 0.770 367 P CB -0.172 31.588 31.700 0.101 0.000 0.837 368 F N -4.801 115.150 119.950 0.002 0.000 2.601 368 F HA 0.649 5.176 4.527 -0.000 0.000 0.309 368 F C -3.088 172.710 175.800 -0.002 0.000 1.089 368 F CA -3.922 54.078 58.000 -0.001 0.000 0.940 368 F CB -0.154 38.843 39.000 -0.005 0.000 1.273 368 F HN -0.438 nan 8.300 nan 0.000 0.450 369 P HA 0.146 nan 4.420 nan 0.000 0.256 369 P C -0.586 176.836 177.300 0.203 0.000 1.189 369 P CA 0.500 63.665 63.100 0.109 0.000 0.808 369 P CB 0.127 31.881 31.700 0.090 0.000 0.793 370 A N 3.470 126.364 122.820 0.124 0.000 2.303 370 A HA 0.517 4.837 4.320 -0.000 0.000 0.317 370 A C 0.582 178.211 177.584 0.074 0.000 1.149 370 A CA -0.383 51.764 52.037 0.184 0.000 0.822 370 A CB 0.592 19.656 19.000 0.107 0.000 1.131 370 A HN 0.416 nan 8.150 nan 0.000 0.493 371 S N 0.441 116.182 115.700 0.068 0.000 2.585 371 S HA 0.274 4.744 4.470 -0.000 0.000 0.273 371 S C 0.558 175.159 174.600 0.000 0.000 1.339 371 S CA 0.109 58.320 58.200 0.018 0.000 1.028 371 S CB 1.032 64.233 63.200 0.002 0.000 0.906 371 S HN 1.060 nan 8.310 nan 0.000 0.528 372 V N 3.125 123.027 119.914 -0.020 0.000 3.484 372 V HA 0.395 4.515 4.120 -0.000 0.000 0.252 372 V C 0.383 176.460 176.094 -0.029 0.000 1.282 372 V CA 0.625 62.905 62.300 -0.032 0.000 1.104 372 V CB 0.142 31.933 31.823 -0.053 0.000 0.868 372 V HN 0.761 nan 8.190 nan 0.000 0.457 373 K N 0.797 121.179 120.400 -0.029 0.000 2.340 373 K HA 0.388 4.708 4.320 -0.000 0.000 0.244 373 K C -1.312 175.260 176.600 -0.047 0.000 0.973 373 K CA -0.688 55.580 56.287 -0.033 0.000 0.828 373 K CB 2.072 34.556 32.500 -0.027 0.000 1.226 373 K HN 0.067 nan 8.250 nan 0.000 0.437 374 D N 0.254 120.619 120.400 -0.058 0.000 2.277 374 D HA 0.482 5.122 4.640 -0.000 0.000 0.249 374 D C 0.009 176.233 176.300 -0.127 0.000 1.134 374 D CA 0.448 54.392 54.000 -0.093 0.000 0.863 374 D CB 0.972 41.720 40.800 -0.088 0.000 1.143 374 D HN 0.653 nan 8.370 nan 0.000 0.458 375 G N 2.137 110.812 108.800 -0.207 0.000 2.498 375 G HA2 0.224 4.184 3.960 -0.000 0.000 0.181 375 G HA3 0.224 4.184 3.960 -0.000 0.000 0.181 375 G C -1.779 172.855 174.900 -0.443 0.000 1.169 375 G CA -0.740 44.184 45.100 -0.293 0.000 0.992 375 G HN 0.357 nan 8.290 nan 0.000 0.490 376 Y N 0.910 121.198 120.300 -0.020 0.000 2.391 376 Y HA 0.688 5.238 4.550 -0.000 0.000 0.341 376 Y C 0.698 176.584 175.900 -0.024 0.000 0.965 376 Y CA -0.232 57.852 58.100 -0.027 0.000 1.067 376 Y CB 2.201 40.643 38.460 -0.030 0.000 1.199 376 Y HN 0.778 nan 8.280 nan 0.000 0.450 377 A N 2.560 125.450 122.820 0.116 0.000 2.462 377 A HA 0.638 4.958 4.320 -0.000 0.000 0.243 377 A C -0.660 176.960 177.584 0.059 0.000 1.076 377 A CA -0.125 51.949 52.037 0.062 0.000 0.773 377 A CB 0.195 19.215 19.000 0.032 0.000 1.010 377 A HN 0.571 nan 8.150 nan 0.000 0.493 378 V N 2.797 122.733 119.914 0.037 0.000 2.924 378 V HA 0.288 4.408 4.120 -0.000 0.000 0.300 378 V C -0.217 175.887 176.094 0.016 0.000 1.227 378 V CA -0.881 61.433 62.300 0.024 0.000 0.954 378 V CB 2.177 34.017 31.823 0.028 0.000 1.055 378 V HN 1.048 nan 8.190 nan 0.000 0.429 379 R N 3.272 123.778 120.500 0.009 0.000 2.459 379 R HA 0.501 4.841 4.340 -0.000 0.000 0.301 379 R C 1.145 177.449 176.300 0.008 0.000 1.286 379 R CA 0.379 56.484 56.100 0.009 0.000 1.046 379 R CB 0.380 30.685 30.300 0.007 0.000 1.071 379 R HN 0.829 nan 8.270 nan 0.000 0.512 380 A N 4.042 126.868 122.820 0.010 0.000 1.971 380 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 380 A C 2.435 180.023 177.584 0.007 0.000 1.182 380 A CA 2.065 54.107 52.037 0.009 0.000 0.649 380 A CB -0.718 18.288 19.000 0.010 0.000 0.818 380 A HN 0.925 nan 8.150 nan 0.000 0.458 381 A N -0.399 122.425 122.820 0.007 0.000 1.958 381 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 381 A C 1.831 179.417 177.584 0.005 0.000 1.178 381 A CA 2.206 54.246 52.037 0.006 0.000 0.642 381 A CB -0.711 18.292 19.000 0.006 0.000 0.816 381 A HN 0.494 nan 8.150 nan 0.000 0.453 382 D N -0.801 119.602 120.400 0.004 0.000 2.263 382 D HA 0.176 4.816 4.640 -0.000 0.000 0.208 382 D C 1.362 177.662 176.300 0.001 0.000 0.971 382 D CA 1.265 55.266 54.000 0.003 0.000 0.867 382 D CB -0.477 40.324 40.800 0.002 0.000 0.929 382 D HN 0.715 nan 8.370 nan 0.000 0.492 383 G N 0.668 109.468 108.800 0.001 0.000 2.939 383 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.278 383 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.278 383 G C -2.436 172.462 174.900 -0.003 0.000 1.487 383 G CA -0.803 44.297 45.100 0.000 0.000 0.935 383 G HN 0.065 nan 8.290 nan 0.000 0.553 384 P HA 0.462 nan 4.420 nan 0.000 0.264 384 P C 0.704 177.998 177.300 -0.010 0.000 1.193 384 P CA 1.319 64.414 63.100 -0.008 0.000 0.763 384 P CB 0.937 32.635 31.700 -0.004 0.000 0.810 385 G N 1.714 110.504 108.800 -0.018 0.000 2.561 385 G HA2 0.301 4.261 3.960 -0.000 0.000 0.310 385 G HA3 0.301 4.261 3.960 -0.000 0.000 0.310 385 G C -1.872 173.013 174.900 -0.026 0.000 1.292 385 G CA -0.586 44.504 45.100 -0.017 0.000 0.811 385 G HN 0.263 nan 8.290 nan 0.000 0.482 386 D N 1.305 121.695 120.400 -0.017 0.000 2.359 386 D HA 0.511 5.151 4.640 -0.000 0.000 0.230 386 D C -0.042 176.255 176.300 -0.006 0.000 1.118 386 D CA -0.161 53.828 54.000 -0.017 0.000 0.844 386 D CB 1.364 42.160 40.800 -0.006 0.000 1.059 386 D HN 0.073 nan 8.370 nan 0.000 0.493 387 R N 1.551 122.035 120.500 -0.026 0.000 2.562 387 R HA 0.378 4.718 4.340 -0.000 0.000 0.298 387 R C -0.543 175.774 176.300 0.029 0.000 0.961 387 R CA -0.980 55.113 56.100 -0.013 0.000 0.881 387 R CB 1.038 31.292 30.300 -0.077 0.000 1.159 387 R HN 0.319 nan 8.270 nan 0.000 0.450 388 F N 3.537 123.452 119.950 -0.059 0.000 2.424 388 F HA 0.393 4.920 4.527 -0.000 0.000 0.356 388 F C 0.056 175.832 175.800 -0.041 0.000 1.110 388 F CA -1.139 56.834 58.000 -0.045 0.000 1.161 388 F CB 0.398 39.381 39.000 -0.027 0.000 1.115 388 F HN 0.440 nan 8.300 nan 0.000 0.507 389 I N 9.009 129.276 120.570 -0.504 0.000 2.389 389 I HA 0.020 4.190 4.170 -0.000 0.000 0.295 389 I C 1.497 177.077 176.117 -0.894 0.000 1.117 389 I CA 0.104 61.095 61.300 -0.515 0.000 1.317 389 I CB 0.232 38.121 38.000 -0.184 0.000 1.431 389 I HN 0.784 nan 8.210 nan 0.000 0.521 390 I N 4.615 124.695 120.570 -0.818 0.000 2.113 390 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 390 I C 1.306 177.258 176.117 -0.275 0.000 1.064 390 I CA 1.535 62.491 61.300 -0.573 0.000 1.320 390 I CB -0.172 37.660 38.000 -0.279 0.000 1.028 390 I HN 0.781 nan 8.210 nan 0.000 0.406 391 G N -0.591 108.104 108.800 -0.176 0.000 2.356 391 G HA2 0.278 4.238 3.960 -0.000 0.000 0.294 391 G HA3 0.278 4.238 3.960 -0.000 0.000 0.294 391 G C -1.685 173.185 174.900 -0.050 0.000 1.423 391 G CA -0.655 44.395 45.100 -0.083 0.000 0.806 391 G HN 0.059 nan 8.290 nan 0.000 0.527 392 E N -0.496 119.683 120.200 -0.035 0.000 2.277 392 E HA 0.614 4.964 4.350 -0.000 0.000 0.274 392 E C -0.528 176.046 176.600 -0.043 0.000 1.022 392 E CA -0.460 55.919 56.400 -0.035 0.000 0.853 392 E CB 1.443 31.123 29.700 -0.033 0.000 1.086 392 E HN 0.384 nan 8.360 nan 0.000 0.397 393 S N 2.494 118.164 115.700 -0.050 0.000 2.552 393 S HA 0.260 4.730 4.470 -0.000 0.000 0.314 393 S C -1.533 173.029 174.600 -0.064 0.000 1.099 393 S CA -0.756 57.408 58.200 -0.059 0.000 1.070 393 S CB 0.588 63.755 63.200 -0.056 0.000 0.998 393 S HN 0.469 nan 8.310 nan 0.000 0.474 394 Q N 3.163 122.922 119.800 -0.068 0.000 2.353 394 Q HA 0.746 5.086 4.340 -0.000 0.000 0.268 394 Q C 0.611 176.565 176.000 -0.076 0.000 1.045 394 Q CA -1.047 54.718 55.803 -0.063 0.000 0.811 394 Q CB 1.632 30.340 28.738 -0.050 0.000 1.305 394 Q HN 0.511 nan 8.270 nan 0.000 0.447 395 A N 3.010 125.793 122.820 -0.060 0.000 2.084 395 A HA -0.162 4.158 4.320 -0.000 0.000 0.221 395 A C 1.726 179.258 177.584 -0.087 0.000 1.161 395 A CA 1.981 53.980 52.037 -0.064 0.000 0.653 395 A CB -1.186 17.813 19.000 -0.003 0.000 0.802 395 A HN 1.001 nan 8.150 nan 0.000 0.457 396 G N -0.676 108.084 108.800 -0.067 0.000 2.511 396 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.216 396 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.216 396 G C 0.768 175.612 174.900 -0.094 0.000 1.218 396 G CA 1.082 46.146 45.100 -0.060 0.000 0.788 396 G HN 0.565 nan 8.290 nan 0.000 0.560 397 E N -0.612 119.525 120.200 -0.105 0.000 2.243 397 E HA 0.366 4.716 4.350 -0.000 0.000 0.260 397 E C 0.611 177.106 176.600 -0.174 0.000 0.985 397 E CA -0.804 55.526 56.400 -0.117 0.000 0.858 397 E CB 1.012 30.666 29.700 -0.076 0.000 1.210 397 E HN 0.316 nan 8.360 nan 0.000 0.411 398 Q N 1.326 121.024 119.800 -0.169 0.000 2.870 398 Q HA 0.216 4.556 4.340 -0.000 0.000 0.189 398 Q C -2.046 173.863 176.000 -0.151 0.000 1.161 398 Q CA -0.853 54.830 55.803 -0.201 0.000 1.248 398 Q CB -1.062 27.593 28.738 -0.137 0.000 1.302 398 Q HN 0.271 nan 8.270 nan 0.000 0.693 399 P HA 0.335 nan 4.420 nan 0.000 0.302 399 P C -0.374 176.894 177.300 -0.054 0.000 1.307 399 P CA -0.204 62.850 63.100 -0.077 0.000 0.754 399 P CB 0.914 32.581 31.700 -0.056 0.000 1.298 400 T N -2.915 111.616 114.554 -0.038 0.000 3.719 400 T HA 0.063 4.413 4.350 -0.000 0.000 0.285 400 T C -0.323 174.367 174.700 -0.016 0.000 0.963 400 T CA 0.031 62.116 62.100 -0.026 0.000 1.154 400 T CB -0.336 68.517 68.868 -0.025 0.000 1.123 400 T HN 0.359 nan 8.240 nan 0.000 0.448 401 Q N 2.107 121.897 119.800 -0.017 0.000 2.243 401 Q HA 0.611 4.951 4.340 -0.000 0.000 0.252 401 Q C -0.277 175.717 176.000 -0.009 0.000 0.909 401 Q CA -0.108 55.689 55.803 -0.010 0.000 0.922 401 Q CB 1.371 30.101 28.738 -0.013 0.000 1.215 401 Q HN 0.159 nan 8.270 nan 0.000 0.427 402 T N 1.235 115.789 114.554 -0.001 0.000 2.856 402 T HA 0.384 4.734 4.350 -0.000 0.000 0.292 402 T C -0.605 174.096 174.700 0.002 0.000 0.980 402 T CA -0.615 61.485 62.100 0.001 0.000 1.091 402 T CB 0.423 69.295 68.868 0.006 0.000 0.936 402 T HN 0.378 nan 8.240 nan 0.000 0.503 403 V N 7.180 127.094 119.914 0.000 0.000 2.348 403 V HA 0.386 4.506 4.120 -0.000 0.000 0.270 403 V C 0.265 176.363 176.094 0.008 0.000 1.037 403 V CA -0.561 61.738 62.300 -0.001 0.000 0.872 403 V CB 0.751 32.569 31.823 -0.008 0.000 1.002 403 V HN 0.892 nan 8.190 nan 0.000 0.464 404 M N 7.380 126.989 119.600 0.016 0.000 2.513 404 M HA 0.546 5.026 4.480 -0.000 0.000 0.291 404 M C -2.243 174.070 176.300 0.021 0.000 1.190 404 M CA -1.939 53.373 55.300 0.019 0.000 0.960 404 M CB 0.951 33.566 32.600 0.025 0.000 1.517 404 M HN 0.273 nan 8.290 nan 0.000 0.499 405 P HA -0.073 nan 4.420 nan 0.000 0.266 405 P C 0.580 177.896 177.300 0.028 0.000 1.162 405 P CA 1.452 64.564 63.100 0.019 0.000 0.758 405 P CB 0.032 31.742 31.700 0.018 0.000 0.774 406 G N 1.260 110.073 108.800 0.022 0.000 2.184 406 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 406 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 406 G C 0.062 174.988 174.900 0.043 0.000 0.975 406 G CA 0.060 45.179 45.100 0.031 0.000 0.642 406 G HN 0.646 nan 8.290 nan 0.000 0.536 407 Q N -0.485 119.330 119.800 0.025 0.000 2.241 407 Q HA 0.748 5.088 4.340 -0.000 0.000 0.262 407 Q C 0.015 175.983 176.000 -0.054 0.000 1.014 407 Q CA -0.391 55.406 55.803 -0.010 0.000 0.885 407 Q CB 2.860 31.598 28.738 -0.001 0.000 1.311 407 Q HN 0.901 nan 8.270 nan 0.000 0.461 408 V N -2.254 117.592 119.914 -0.113 0.000 3.216 408 V HA 0.714 4.834 4.120 -0.000 0.000 0.302 408 V C -1.148 174.896 176.094 -0.083 0.000 1.286 408 V CA -1.095 61.158 62.300 -0.077 0.000 1.048 408 V CB 2.272 34.031 31.823 -0.106 0.000 1.081 408 V HN 0.893 nan 8.190 nan 0.000 0.442 409 M N 2.262 121.868 119.600 0.010 0.000 2.326 409 M HA 0.647 5.126 4.480 -0.000 0.000 0.292 409 M C -0.657 175.712 176.300 0.116 0.000 1.081 409 M CA -0.728 54.582 55.300 0.016 0.000 0.919 409 M CB 2.232 34.818 32.600 -0.024 0.000 1.634 409 M HN 1.002 nan 8.290 nan 0.000 0.451 410 R N 3.502 124.076 120.500 0.123 0.000 2.449 410 R HA 0.484 4.824 4.340 -0.000 0.000 0.296 410 R C -1.157 175.095 176.300 -0.079 0.000 1.047 410 R CA -0.243 55.856 56.100 -0.002 0.000 1.018 410 R CB 0.402 30.666 30.300 -0.059 0.000 0.962 410 R HN 0.545 nan 8.270 nan 0.000 0.428 411 V N 0.973 120.808 119.914 -0.133 0.000 2.994 411 V HA 0.756 4.876 4.120 -0.000 0.000 0.318 411 V C -0.164 175.857 176.094 -0.122 0.000 1.085 411 V CA -0.611 61.631 62.300 -0.096 0.000 0.998 411 V CB 1.792 33.582 31.823 -0.055 0.000 1.063 411 V HN 0.938 nan 8.190 nan 0.000 0.447 412 T N -2.040 112.466 114.554 -0.081 0.000 2.900 412 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 412 T C -0.097 174.577 174.700 -0.042 0.000 1.044 412 T CA -0.419 61.637 62.100 -0.073 0.000 0.995 412 T CB 1.262 70.092 68.868 -0.063 0.000 1.072 412 T HN 0.876 nan 8.240 nan 0.000 0.473 413 T N 2.638 117.169 114.554 -0.037 0.000 2.750 413 T HA 0.375 4.725 4.350 -0.000 0.000 0.277 413 T C 1.601 176.304 174.700 0.004 0.000 0.996 413 T CA 1.560 63.649 62.100 -0.018 0.000 1.195 413 T CB -0.627 68.229 68.868 -0.021 0.000 0.963 413 T HN 1.572 nan 8.240 nan 0.000 0.516 414 G N 2.337 111.155 108.800 0.030 0.000 2.278 414 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.210 414 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.210 414 G C 0.339 175.316 174.900 0.129 0.000 1.000 414 G CA -0.127 45.023 45.100 0.083 0.000 0.635 414 G HN 1.141 nan 8.290 nan 0.000 0.495 415 A N 2.135 124.982 122.820 0.045 0.000 2.483 415 A HA 0.600 4.920 4.320 -0.000 0.000 0.238 415 A C -1.390 176.204 177.584 0.017 0.000 1.070 415 A CA -0.186 51.843 52.037 -0.014 0.000 0.770 415 A CB 0.012 18.985 19.000 -0.045 0.000 1.008 415 A HN 0.295 nan 8.150 nan 0.000 0.497 416 P HA 0.086 nan 4.420 nan 0.000 0.268 416 P C -0.469 176.835 177.300 0.007 0.000 1.204 416 P CA 0.109 63.176 63.100 -0.054 0.000 0.768 416 P CB 0.411 31.922 31.700 -0.315 0.000 0.842 417 I N 5.587 126.198 120.570 0.069 0.000 2.471 417 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 417 I C -1.455 174.676 176.117 0.022 0.000 1.079 417 I CA -2.219 59.103 61.300 0.038 0.000 1.398 417 I CB 0.108 38.138 38.000 0.049 0.000 1.403 417 I HN 0.225 nan 8.210 nan 0.000 0.530 418 P HA 0.071 nan 4.420 nan 0.000 0.272 418 P C -0.325 176.979 177.300 0.007 0.000 1.230 418 P CA -0.449 62.650 63.100 -0.003 0.000 0.788 418 P CB 0.604 32.297 31.700 -0.012 0.000 0.949 419 C N 1.284 120.588 119.300 0.006 0.000 2.634 419 C HA 0.369 4.829 4.460 -0.000 0.000 0.418 419 C C 1.755 176.750 174.990 0.009 0.000 1.373 419 C CA 2.110 61.135 59.018 0.011 0.000 1.756 419 C CB -1.415 26.330 27.740 0.009 0.000 2.589 419 C HN 0.961 nan 8.230 nan 0.000 0.602 420 G N 3.006 111.813 108.800 0.011 0.000 2.141 420 G HA2 0.053 4.013 3.960 -0.000 0.000 0.231 420 G HA3 0.053 4.013 3.960 -0.000 0.000 0.231 420 G C -0.060 174.846 174.900 0.010 0.000 0.984 420 G CA 0.149 45.255 45.100 0.010 0.000 0.660 420 G HN 1.433 nan 8.290 nan 0.000 0.525 421 A N 0.055 122.882 122.820 0.012 0.000 2.271 421 A HA 0.678 4.998 4.320 -0.000 0.000 0.317 421 A C 0.952 178.545 177.584 0.015 0.000 1.245 421 A CA 0.340 52.385 52.037 0.013 0.000 0.857 421 A CB 0.693 19.702 19.000 0.015 0.000 1.175 421 A HN 0.083 nan 8.150 nan 0.000 0.512 422 D N 1.298 121.706 120.400 0.014 0.000 2.117 422 D HA 0.148 4.788 4.640 -0.000 0.000 0.198 422 D C 0.867 177.175 176.300 0.014 0.000 0.982 422 D CA 2.211 56.219 54.000 0.013 0.000 0.828 422 D CB 0.333 41.140 40.800 0.012 0.000 0.967 422 D HN 0.791 nan 8.370 nan 0.000 0.464 423 A N -0.759 122.070 122.820 0.016 0.000 2.564 423 A HA 0.484 4.804 4.320 -0.000 0.000 0.291 423 A C -1.613 175.984 177.584 0.022 0.000 1.102 423 A CA -0.516 51.531 52.037 0.015 0.000 0.660 423 A CB 1.534 20.541 19.000 0.013 0.000 1.283 423 A HN -0.060 nan 8.150 nan 0.000 0.430 424 V N 0.659 120.584 119.914 0.019 0.000 2.513 424 V HA 0.682 4.802 4.120 -0.000 0.000 0.299 424 V C -0.797 175.316 176.094 0.032 0.000 1.035 424 V CA -0.458 61.858 62.300 0.028 0.000 0.889 424 V CB 1.587 33.417 31.823 0.013 0.000 0.988 424 V HN 0.909 nan 8.190 nan 0.000 0.440 425 V N 7.423 127.373 119.914 0.059 0.000 2.439 425 V HA 0.394 4.514 4.120 -0.000 0.000 0.282 425 V C 0.243 176.375 176.094 0.062 0.000 1.039 425 V CA -0.560 61.778 62.300 0.064 0.000 0.913 425 V CB 1.558 33.434 31.823 0.089 0.000 0.983 425 V HN 0.987 nan 8.190 nan 0.000 0.460 426 Q N 4.198 124.019 119.800 0.035 0.000 2.354 426 Q HA 0.215 4.555 4.340 -0.000 0.000 0.244 426 Q C 1.268 177.291 176.000 0.038 0.000 0.969 426 Q CA 0.039 55.848 55.803 0.011 0.000 0.885 426 Q CB 1.558 30.295 28.738 -0.001 0.000 1.241 426 Q HN 0.644 nan 8.270 nan 0.000 0.461 427 V N 1.016 120.930 119.914 -0.000 0.000 2.453 427 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 427 V C 1.393 177.530 176.094 0.071 0.000 1.068 427 V CA 2.395 64.722 62.300 0.044 0.000 1.070 427 V CB -0.603 31.198 31.823 -0.036 0.000 0.664 427 V HN 0.836 nan 8.190 nan 0.000 0.461 428 E N 0.990 121.212 120.200 0.036 0.000 2.209 428 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 428 E C 1.383 178.006 176.600 0.039 0.000 0.993 428 E CA 1.559 57.978 56.400 0.031 0.000 0.819 428 E CB -0.396 29.314 29.700 0.016 0.000 0.745 428 E HN 0.779 nan 8.360 nan 0.000 0.477 429 D N 0.185 120.615 120.400 0.049 0.000 2.460 429 D HA 0.056 4.696 4.640 -0.000 0.000 0.229 429 D C -0.194 176.141 176.300 0.057 0.000 1.170 429 D CA 0.262 54.289 54.000 0.045 0.000 0.827 429 D CB 0.078 40.901 40.800 0.038 0.000 0.973 429 D HN 0.127 nan 8.370 nan 0.000 0.496 430 T N -2.782 111.818 114.554 0.077 0.000 2.916 430 T HA 0.481 4.831 4.350 -0.000 0.000 0.305 430 T C -0.724 174.010 174.700 0.057 0.000 1.119 430 T CA -0.962 61.179 62.100 0.070 0.000 1.008 430 T CB 3.125 72.087 68.868 0.157 0.000 1.129 430 T HN -0.126 nan 8.240 nan 0.000 0.480 431 E N 1.879 122.090 120.200 0.018 0.000 2.218 431 E HA 0.349 4.699 4.350 -0.000 0.000 0.263 431 E C -1.144 175.457 176.600 0.002 0.000 0.879 431 E CA -0.822 55.589 56.400 0.018 0.000 0.762 431 E CB 1.782 31.488 29.700 0.010 0.000 1.166 431 E HN 0.727 nan 8.360 nan 0.000 0.415 432 L N 6.607 127.844 121.223 0.024 0.000 2.485 432 L HA 0.140 4.480 4.340 -0.000 0.000 0.279 432 L C 0.770 177.646 176.870 0.009 0.000 1.124 432 L CA 0.054 54.905 54.840 0.018 0.000 0.888 432 L CB 0.151 42.240 42.059 0.049 0.000 1.217 432 L HN 0.694 nan 8.230 nan 0.000 0.464 433 I N 3.935 124.503 120.570 -0.003 0.000 3.062 433 I HA -0.011 4.159 4.170 -0.000 0.000 0.217 433 I C 0.907 177.030 176.117 0.011 0.000 1.045 433 I CA 0.161 61.462 61.300 0.002 0.000 1.415 433 I CB -0.198 37.800 38.000 -0.004 0.000 1.269 433 I HN 0.561 nan 8.210 nan 0.000 0.414 434 R N 2.119 122.628 120.500 0.015 0.000 2.297 434 R HA 0.380 4.720 4.340 -0.000 0.000 0.308 434 R C -0.577 175.742 176.300 0.032 0.000 1.029 434 R CA -0.446 55.666 56.100 0.020 0.000 0.929 434 R CB 1.357 31.666 30.300 0.015 0.000 1.046 434 R HN 0.307 nan 8.270 nan 0.000 0.461 435 E N 1.515 121.732 120.200 0.029 0.000 2.855 435 E HA 0.098 4.448 4.350 -0.000 0.000 0.259 435 E C -0.093 176.528 176.600 0.036 0.000 1.390 435 E CA -0.362 56.060 56.400 0.036 0.000 1.069 435 E CB 0.840 30.557 29.700 0.029 0.000 1.172 435 E HN 0.782 nan 8.360 nan 0.000 0.668 436 S N -0.095 115.627 115.700 0.037 0.000 2.632 436 S HA 0.065 4.535 4.470 -0.000 0.000 0.267 436 S C 0.159 174.770 174.600 0.018 0.000 1.276 436 S CA -0.662 57.557 58.200 0.032 0.000 0.998 436 S CB 0.767 63.990 63.200 0.038 0.000 0.953 436 S HN 0.363 nan 8.310 nan 0.000 0.547 437 D N 0.295 120.702 120.400 0.011 0.000 2.309 437 D HA 0.016 4.656 4.640 -0.000 0.000 0.212 437 D C 0.026 176.330 176.300 0.007 0.000 0.968 437 D CA 1.205 55.208 54.000 0.005 0.000 0.882 437 D CB -0.036 40.763 40.800 -0.001 0.000 0.918 437 D HN 0.488 nan 8.370 nan 0.000 0.503 438 D N -1.753 118.654 120.400 0.011 0.000 2.268 438 D HA 0.336 4.976 4.640 -0.000 0.000 0.249 438 D C 1.558 177.867 176.300 0.015 0.000 1.008 438 D CA -0.440 53.567 54.000 0.012 0.000 0.939 438 D CB 1.533 42.340 40.800 0.012 0.000 1.170 438 D HN -0.007 nan 8.370 nan 0.000 0.468 439 G N 0.586 109.394 108.800 0.013 0.000 2.476 439 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 439 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 439 G C 1.211 176.122 174.900 0.018 0.000 1.164 439 G CA 2.224 47.333 45.100 0.014 0.000 0.768 439 G HN 0.667 nan 8.290 nan 0.000 0.560 440 T N 0.224 114.789 114.554 0.018 0.000 2.083 440 T HA -0.275 4.075 4.350 -0.000 0.000 0.175 440 T C 0.930 175.646 174.700 0.026 0.000 1.737 440 T CA 1.825 63.938 62.100 0.021 0.000 0.972 440 T CB -0.538 68.344 68.868 0.023 0.000 0.803 440 T HN 0.476 nan 8.240 nan 0.000 0.424 441 E N 1.361 121.582 120.200 0.035 0.000 2.412 441 E HA 0.481 4.830 4.350 -0.000 0.000 0.255 441 E C -0.512 176.118 176.600 0.051 0.000 0.933 441 E CA -0.687 55.739 56.400 0.044 0.000 0.823 441 E CB 1.129 30.861 29.700 0.053 0.000 1.352 441 E HN 0.594 nan 8.360 nan 0.000 0.406 442 E N 1.302 121.538 120.200 0.061 0.000 2.155 442 E HA 0.312 4.662 4.350 -0.000 0.000 0.264 442 E C 0.538 177.187 176.600 0.082 0.000 0.886 442 E CA -0.229 56.211 56.400 0.067 0.000 0.752 442 E CB 1.698 31.441 29.700 0.073 0.000 1.133 442 E HN 0.324 nan 8.360 nan 0.000 0.414 443 L N 0.696 121.980 121.223 0.103 0.000 2.265 443 L HA 0.159 4.499 4.340 -0.000 0.000 0.195 443 L C 0.952 177.934 176.870 0.186 0.000 1.083 443 L CA 0.533 55.490 54.840 0.196 0.000 0.798 443 L CB 0.088 42.278 42.059 0.218 0.000 0.989 443 L HN 0.344 nan 8.230 nan 0.000 0.472 444 E N 0.181 120.447 120.200 0.109 0.000 2.283 444 E HA 0.422 4.772 4.350 -0.000 0.000 0.271 444 E C -1.219 175.355 176.600 -0.044 0.000 1.031 444 E CA -0.254 56.177 56.400 0.050 0.000 0.868 444 E CB 2.937 32.662 29.700 0.041 0.000 1.094 444 E HN -0.142 nan 8.360 nan 0.000 0.401 445 V N 1.837 121.674 119.914 -0.128 0.000 3.007 445 V HA 0.398 4.518 4.120 -0.000 0.000 0.311 445 V C -1.317 174.681 176.094 -0.160 0.000 1.120 445 V CA -0.747 61.431 62.300 -0.204 0.000 0.980 445 V CB 2.242 33.757 31.823 -0.513 0.000 1.033 445 V HN 0.589 nan 8.190 nan 0.000 0.429 446 R N 4.253 124.683 120.500 -0.116 0.000 2.272 446 R HA 0.517 4.857 4.340 -0.000 0.000 0.323 446 R C -1.160 175.099 176.300 -0.067 0.000 1.002 446 R CA -0.618 55.438 56.100 -0.073 0.000 0.900 446 R CB 0.875 31.153 30.300 -0.037 0.000 1.151 446 R HN 0.680 nan 8.270 nan 0.000 0.507 447 I N 5.383 125.910 120.570 -0.073 0.000 2.517 447 I HA -0.046 4.124 4.170 -0.000 0.000 0.285 447 I C 1.120 177.228 176.117 -0.015 0.000 1.106 447 I CA 0.377 61.652 61.300 -0.042 0.000 1.402 447 I CB 1.128 39.103 38.000 -0.041 0.000 1.399 447 I HN 0.627 nan 8.210 nan 0.000 0.535 448 L N 6.719 127.943 121.223 0.001 0.000 2.592 448 L HA 0.214 4.554 4.340 -0.000 0.000 0.227 448 L C -0.087 176.787 176.870 0.007 0.000 1.127 448 L CA 0.172 55.015 54.840 0.004 0.000 0.884 448 L CB -0.105 41.960 42.059 0.010 0.000 1.065 448 L HN 0.291 nan 8.230 nan 0.000 0.457 449 V N 0.029 119.949 119.914 0.010 0.000 2.531 449 V HA 0.236 4.356 4.120 -0.000 0.000 0.301 449 V C -0.355 175.744 176.094 0.009 0.000 1.034 449 V CA -0.692 61.614 62.300 0.011 0.000 0.865 449 V CB 2.033 33.866 31.823 0.016 0.000 0.995 449 V HN 0.066 nan 8.190 nan 0.000 0.424 450 Q N 3.845 123.649 119.800 0.007 0.000 2.307 450 Q HA 0.571 4.910 4.340 -0.000 0.000 0.261 450 Q C -0.237 175.768 176.000 0.008 0.000 1.051 450 Q CA 0.216 56.022 55.803 0.006 0.000 0.911 450 Q CB 1.036 29.777 28.738 0.005 0.000 1.227 450 Q HN 0.916 nan 8.270 nan 0.000 0.418 451 A N 4.630 127.456 122.820 0.009 0.000 2.304 451 A HA 0.655 4.975 4.320 -0.000 0.000 0.323 451 A C -0.814 176.775 177.584 0.009 0.000 1.195 451 A CA -1.027 51.017 52.037 0.010 0.000 0.826 451 A CB 0.506 19.514 19.000 0.014 0.000 1.184 451 A HN 0.902 nan 8.150 nan 0.000 0.496 452 R N 3.225 123.730 120.500 0.007 0.000 2.480 452 R HA 0.300 4.640 4.340 -0.000 0.000 0.303 452 R C -2.562 173.743 176.300 0.007 0.000 0.985 452 R CA -0.866 55.239 56.100 0.007 0.000 1.051 452 R CB -0.691 29.612 30.300 0.006 0.000 0.935 452 R HN 0.399 nan 8.270 nan 0.000 0.410 453 P HA -0.011 nan 4.420 nan 0.000 0.262 453 P C 0.582 177.886 177.300 0.008 0.000 1.182 453 P CA 1.063 64.168 63.100 0.008 0.000 0.761 453 P CB 0.782 32.487 31.700 0.008 0.000 0.795 454 G N 1.700 110.504 108.800 0.007 0.000 2.175 454 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 454 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 454 G C 0.246 175.144 174.900 -0.002 0.000 0.982 454 G CA -0.218 44.884 45.100 0.004 0.000 0.641 454 G HN 0.651 nan 8.290 nan 0.000 0.527 455 Q N 0.931 120.732 119.800 0.000 0.000 2.239 455 Q HA 0.300 4.640 4.340 -0.000 0.000 0.286 455 Q C 0.604 176.599 176.000 -0.008 0.000 1.102 455 Q CA 0.798 56.599 55.803 -0.003 0.000 0.936 455 Q CB -0.003 28.738 28.738 0.004 0.000 1.127 455 Q HN 0.434 nan 8.270 nan 0.000 0.380 456 D N 2.390 122.778 120.400 -0.020 0.000 3.012 456 D HA -0.229 4.410 4.640 -0.000 0.000 0.222 456 D C -0.644 175.636 176.300 -0.035 0.000 1.167 456 D CA 0.909 54.892 54.000 -0.029 0.000 0.854 456 D CB -0.971 39.818 40.800 -0.019 0.000 1.107 456 D HN 0.509 nan 8.370 nan 0.000 0.421 457 I N 1.048 121.596 120.570 -0.036 0.000 2.354 457 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 457 I C 0.792 176.860 176.117 -0.081 0.000 0.989 457 I CA -0.621 60.657 61.300 -0.037 0.000 1.188 457 I CB 1.454 39.449 38.000 -0.010 0.000 1.342 457 I HN -0.345 nan 8.210 nan 0.000 0.457 458 R N 6.916 127.348 120.500 -0.114 0.000 2.202 458 R HA 0.387 4.726 4.340 -0.000 0.000 0.334 458 R C -2.512 173.729 176.300 -0.099 0.000 1.036 458 R CA -1.572 54.409 56.100 -0.198 0.000 0.878 458 R CB 1.160 31.297 30.300 -0.272 0.000 1.067 458 R HN 0.262 nan 8.270 nan 0.000 0.457 459 P HA 0.196 nan 4.420 nan 0.000 0.281 459 P C -0.168 177.125 177.300 -0.012 0.000 1.264 459 P CA -0.917 62.178 63.100 -0.007 0.000 0.824 459 P CB 0.329 32.043 31.700 0.023 0.000 1.092 460 I N -2.165 118.391 120.570 -0.024 0.000 3.214 460 I HA 0.121 4.291 4.170 -0.000 0.000 0.332 460 I C 1.334 177.443 176.117 -0.014 0.000 1.225 460 I CA 1.097 62.374 61.300 -0.039 0.000 1.453 460 I CB -1.733 36.261 38.000 -0.010 0.000 1.321 460 I HN 0.759 nan 8.210 nan 0.000 0.518 461 G N 2.858 111.640 108.800 -0.030 0.000 2.195 461 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.246 461 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.246 461 G C 1.112 176.014 174.900 0.003 0.000 0.984 461 G CA 0.459 45.550 45.100 -0.016 0.000 0.633 461 G HN 0.984 nan 8.290 nan 0.000 0.525 462 H N 0.915 119.948 119.070 -0.062 0.000 2.321 462 H HA -0.133 4.423 4.556 -0.000 0.000 0.295 462 H C 2.064 177.362 175.328 -0.050 0.000 1.102 462 H CA 2.359 58.377 56.048 -0.051 0.000 1.266 462 H CB 0.199 29.929 29.762 -0.054 0.000 1.363 462 H HN 0.554 nan 8.280 nan 0.000 0.492 463 D N 0.021 120.443 120.400 0.036 0.000 2.146 463 D HA 0.096 4.736 4.640 -0.000 0.000 0.209 463 D C 0.660 176.933 176.300 -0.045 0.000 0.973 463 D CA 0.822 54.816 54.000 -0.011 0.000 0.860 463 D CB 0.656 41.453 40.800 -0.006 0.000 1.015 463 D HN 0.276 nan 8.370 nan 0.000 0.465 464 I N 0.131 120.676 120.570 -0.042 0.000 2.686 464 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 464 I C -0.123 175.974 176.117 -0.033 0.000 1.114 464 I CA -0.823 60.453 61.300 -0.040 0.000 1.038 464 I CB 3.043 41.022 38.000 -0.036 0.000 1.238 464 I HN -0.359 nan 8.210 nan 0.000 0.420 465 K N 4.707 125.093 120.400 -0.023 0.000 2.138 465 K HA 0.399 4.719 4.320 -0.000 0.000 0.263 465 K C -0.216 176.387 176.600 0.004 0.000 0.965 465 K CA -0.841 55.439 56.287 -0.013 0.000 0.868 465 K CB 1.566 34.059 32.500 -0.012 0.000 1.083 465 K HN 0.588 nan 8.250 nan 0.000 0.443 466 R N 1.089 121.591 120.500 0.004 0.000 2.494 466 R HA -0.117 4.223 4.340 -0.000 0.000 0.291 466 R C 0.639 176.957 176.300 0.030 0.000 0.953 466 R CA 1.845 57.953 56.100 0.014 0.000 1.098 466 R CB -0.209 30.094 30.300 0.006 0.000 0.911 466 R HN 0.963 nan 8.270 nan 0.000 0.407 467 G N 2.701 111.537 108.800 0.059 0.000 2.176 467 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.253 467 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.253 467 G C -0.082 174.935 174.900 0.195 0.000 0.979 467 G CA 0.494 45.641 45.100 0.078 0.000 0.641 467 G HN 0.793 nan 8.290 nan 0.000 0.530 468 E N -0.123 120.173 120.200 0.160 0.000 2.366 468 E HA 0.445 4.795 4.350 -0.000 0.000 0.266 468 E C 0.618 177.315 176.600 0.160 0.000 1.051 468 E CA -0.392 56.109 56.400 0.168 0.000 0.884 468 E CB 1.146 30.879 29.700 0.055 0.000 1.006 468 E HN 0.503 nan 8.360 nan 0.000 0.417 469 C N 3.851 123.151 119.300 0.001 0.000 2.629 469 C HA 0.188 4.647 4.460 -0.000 0.000 0.410 469 C C 1.346 176.193 174.990 -0.238 0.000 1.339 469 C CA 0.033 58.773 59.018 -0.462 0.000 1.810 469 C CB -0.784 26.659 27.740 -0.494 0.000 2.549 469 C HN 0.688 nan 8.230 nan 0.000 0.589 470 V N 4.290 124.060 119.914 -0.239 0.000 3.455 470 V HA 0.391 4.511 4.120 -0.000 0.000 0.250 470 V C 0.265 176.284 176.094 -0.124 0.000 1.230 470 V CA 0.416 62.635 62.300 -0.135 0.000 1.105 470 V CB -0.635 31.132 31.823 -0.093 0.000 0.850 470 V HN 0.717 nan 8.190 nan 0.000 0.461 471 L N 1.458 122.586 121.223 -0.158 0.000 2.476 471 L HA 0.845 5.185 4.340 -0.000 0.000 0.269 471 L C -0.173 176.619 176.870 -0.131 0.000 0.965 471 L CA -0.580 54.193 54.840 -0.112 0.000 0.845 471 L CB 1.906 43.918 42.059 -0.079 0.000 1.259 471 L HN 0.190 nan 8.230 nan 0.000 0.403 472 A N 3.280 126.045 122.820 -0.092 0.000 2.354 472 A HA 0.332 4.652 4.320 -0.000 0.000 0.269 472 A C 0.028 177.587 177.584 -0.042 0.000 1.109 472 A CA -0.391 51.599 52.037 -0.079 0.000 0.800 472 A CB 0.603 19.572 19.000 -0.052 0.000 1.045 472 A HN 0.662 nan 8.150 nan 0.000 0.489 473 K N 0.663 121.044 120.400 -0.032 0.000 2.504 473 K HA 0.140 4.459 4.320 -0.000 0.000 0.278 473 K C 1.176 177.782 176.600 0.010 0.000 1.025 473 K CA 1.650 57.935 56.287 -0.003 0.000 1.093 473 K CB -0.095 32.410 32.500 0.010 0.000 0.873 473 K HN 1.642 nan 8.250 nan 0.000 0.483 474 G N 2.766 111.581 108.800 0.024 0.000 2.179 474 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 474 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 474 G C 0.184 175.117 174.900 0.056 0.000 0.990 474 G CA 0.175 45.299 45.100 0.039 0.000 0.646 474 G HN 0.622 nan 8.290 nan 0.000 0.517 475 T N 1.671 116.252 114.554 0.045 0.000 2.902 475 T HA 0.269 4.619 4.350 -0.000 0.000 0.301 475 T C 0.179 174.949 174.700 0.117 0.000 1.012 475 T CA 0.199 62.334 62.100 0.059 0.000 1.151 475 T CB 0.603 69.484 68.868 0.020 0.000 0.946 475 T HN 0.333 nan 8.240 nan 0.000 0.542 476 H N 4.240 123.323 119.070 0.021 0.000 2.782 476 H HA 0.278 4.834 4.556 -0.000 0.000 0.285 476 H C -0.151 175.194 175.328 0.028 0.000 1.093 476 H CA -0.770 55.299 56.048 0.035 0.000 1.410 476 H CB 0.322 30.107 29.762 0.037 0.000 1.439 476 H HN 0.498 nan 8.280 nan 0.000 0.469 477 M N 3.955 123.417 119.600 -0.231 0.000 2.188 477 M HA 0.154 4.634 4.480 -0.000 0.000 0.354 477 M C 0.877 177.047 176.300 -0.217 0.000 1.342 477 M CA 0.096 55.297 55.300 -0.166 0.000 1.117 477 M CB 1.191 33.735 32.600 -0.093 0.000 1.670 477 M HN 0.639 nan 8.290 nan 0.000 0.466 478 G N 3.040 111.771 108.800 -0.115 0.000 2.552 478 G HA2 0.469 4.429 3.960 -0.000 0.000 0.318 478 G HA3 0.469 4.429 3.960 -0.000 0.000 0.318 478 G C -2.343 172.529 174.900 -0.046 0.000 1.240 478 G CA -1.418 43.632 45.100 -0.082 0.000 1.002 478 G HN 0.420 nan 8.290 nan 0.000 0.493 479 P HA -0.146 nan 4.420 nan 0.000 0.216 479 P C 2.207 179.505 177.300 -0.005 0.000 1.154 479 P CA 1.717 64.810 63.100 -0.012 0.000 0.865 479 P CB 0.234 31.927 31.700 -0.011 0.000 0.789 480 S N -1.312 114.380 115.700 -0.013 0.000 2.419 480 S HA -0.179 4.291 4.470 -0.000 0.000 0.233 480 S C 1.673 176.266 174.600 -0.010 0.000 1.016 480 S CA 1.305 59.499 58.200 -0.011 0.000 0.974 480 S CB -0.638 62.553 63.200 -0.015 0.000 0.786 480 S HN 0.172 nan 8.310 nan 0.000 0.492 481 E N 1.085 121.277 120.200 -0.014 0.000 2.076 481 E HA 0.061 4.411 4.350 -0.000 0.000 0.190 481 E C 1.949 178.552 176.600 0.004 0.000 0.979 481 E CA 0.686 57.077 56.400 -0.014 0.000 0.807 481 E CB -0.198 29.488 29.700 -0.024 0.000 0.761 481 E HN 0.456 nan 8.360 nan 0.000 0.454 482 I N 0.708 121.294 120.570 0.027 0.000 2.151 482 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 482 I C 2.351 178.512 176.117 0.074 0.000 1.080 482 I CA 1.476 62.831 61.300 0.092 0.000 1.339 482 I CB -1.224 36.842 38.000 0.109 0.000 1.039 482 I HN 0.217 nan 8.210 nan 0.000 0.409 483 G N 1.736 110.560 108.800 0.040 0.000 2.672 483 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 483 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 483 G C 1.707 176.597 174.900 -0.017 0.000 1.238 483 G CA 1.011 46.120 45.100 0.016 0.000 0.791 483 G HN 0.283 nan 8.290 nan 0.000 0.606 484 L N -0.126 121.082 121.223 -0.024 0.000 1.965 484 L HA -0.176 4.164 4.340 -0.000 0.000 0.226 484 L C 3.042 179.872 176.870 -0.068 0.000 1.083 484 L CA 1.428 56.242 54.840 -0.043 0.000 0.790 484 L CB -0.502 41.532 42.059 -0.040 0.000 0.898 484 L HN 0.250 nan 8.230 nan 0.000 0.439 485 L N -0.971 120.215 121.223 -0.062 0.000 2.064 485 L HA -0.352 3.988 4.340 -0.000 0.000 0.216 485 L C 2.716 179.433 176.870 -0.255 0.000 1.077 485 L CA 1.706 56.481 54.840 -0.109 0.000 0.766 485 L CB -0.748 41.291 42.059 -0.034 0.000 0.890 485 L HN 0.436 nan 8.230 nan 0.000 0.435 486 A N -0.681 121.972 122.820 -0.279 0.000 1.832 486 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 486 A C 2.247 179.712 177.584 -0.198 0.000 1.200 486 A CA 2.244 54.063 52.037 -0.365 0.000 0.610 486 A CB -1.051 17.842 19.000 -0.179 0.000 0.842 486 A HN 0.399 nan 8.150 nan 0.000 0.444 487 T N -0.166 114.321 114.554 -0.111 0.000 2.594 487 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 487 T C 1.770 176.423 174.700 -0.078 0.000 1.070 487 T CA 2.076 64.131 62.100 -0.075 0.000 1.166 487 T CB -0.736 68.099 68.868 -0.055 0.000 0.862 487 T HN 0.119 nan 8.240 nan 0.000 0.436 488 V N 0.395 120.259 119.914 -0.084 0.000 2.759 488 V HA 0.096 4.216 4.120 -0.000 0.000 0.256 488 V C 2.125 178.173 176.094 -0.076 0.000 1.080 488 V CA 1.587 63.846 62.300 -0.067 0.000 1.101 488 V CB -0.876 30.913 31.823 -0.057 0.000 0.698 488 V HN 0.904 nan 8.190 nan 0.000 0.477 489 G N -0.541 108.183 108.800 -0.126 0.000 2.157 489 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.239 489 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.239 489 G C 0.182 175.001 174.900 -0.134 0.000 0.982 489 G CA 0.075 45.094 45.100 -0.134 0.000 0.650 489 G HN 0.430 nan 8.290 nan 0.000 0.527 490 V N 1.668 121.502 119.914 -0.134 0.000 2.415 490 V HA 0.406 4.526 4.120 -0.000 0.000 0.267 490 V C 1.420 177.429 176.094 -0.142 0.000 1.042 490 V CA 1.292 63.535 62.300 -0.094 0.000 1.000 490 V CB 1.011 32.801 31.823 -0.055 0.000 1.015 490 V HN 0.342 nan 8.190 nan 0.000 0.478 491 T N 2.971 117.491 114.554 -0.056 0.000 2.990 491 T HA 0.149 4.499 4.350 -0.000 0.000 0.249 491 T C 0.411 175.230 174.700 0.197 0.000 1.039 491 T CA 0.177 62.309 62.100 0.053 0.000 1.036 491 T CB 0.270 69.178 68.868 0.066 0.000 0.994 491 T HN 0.685 nan 8.240 nan 0.000 0.489 492 E N 2.417 122.673 120.200 0.094 0.000 2.216 492 E HA 0.500 4.850 4.350 -0.000 0.000 0.260 492 E C -0.893 175.736 176.600 0.049 0.000 0.880 492 E CA -0.535 55.910 56.400 0.076 0.000 0.765 492 E CB 2.430 32.160 29.700 0.050 0.000 1.174 492 E HN 0.174 nan 8.360 nan 0.000 0.417 493 V N -0.539 119.402 119.914 0.045 0.000 2.769 493 V HA 0.473 4.593 4.120 -0.000 0.000 0.312 493 V C 0.240 176.341 176.094 0.012 0.000 1.058 493 V CA -1.165 61.151 62.300 0.027 0.000 0.952 493 V CB 2.053 33.891 31.823 0.026 0.000 1.019 493 V HN 0.577 nan 8.190 nan 0.000 0.445 494 E N 1.390 121.597 120.200 0.012 0.000 2.223 494 E HA 0.560 4.910 4.350 -0.000 0.000 0.282 494 E C -0.881 175.720 176.600 0.001 0.000 1.046 494 E CA -0.354 56.050 56.400 0.006 0.000 0.857 494 E CB 1.358 31.067 29.700 0.014 0.000 1.055 494 E HN 0.835 nan 8.360 nan 0.000 0.409 495 V N 1.225 121.132 119.914 -0.012 0.000 2.971 495 V HA 0.403 4.523 4.120 -0.000 0.000 0.309 495 V C -0.526 175.557 176.094 -0.018 0.000 1.130 495 V CA -1.438 60.850 62.300 -0.019 0.000 0.964 495 V CB 1.786 33.573 31.823 -0.060 0.000 1.029 495 V HN 0.595 nan 8.190 nan 0.000 0.427 496 N N 2.443 121.148 118.700 0.009 0.000 2.454 496 N HA 0.234 4.974 4.740 -0.000 0.000 0.254 496 N C -0.170 175.344 175.510 0.006 0.000 1.228 496 N CA -0.321 52.745 53.050 0.027 0.000 0.900 496 N CB 0.451 38.977 38.487 0.066 0.000 1.089 496 N HN 0.825 nan 8.380 nan 0.000 0.449 497 K N 1.313 121.725 120.400 0.020 0.000 2.270 497 K HA 0.223 4.543 4.320 -0.000 0.000 0.276 497 K C -0.638 176.066 176.600 0.172 0.000 1.023 497 K CA -0.435 55.863 56.287 0.019 0.000 0.955 497 K CB 0.471 32.988 32.500 0.029 0.000 0.975 497 K HN 0.201 nan 8.250 nan 0.000 0.471 498 F N 2.998 123.004 119.950 0.094 0.000 2.572 498 F HA 0.080 4.607 4.527 -0.000 0.000 0.370 498 F C -1.558 174.263 175.800 0.036 0.000 1.103 498 F CA -2.374 55.702 58.000 0.127 0.000 1.286 498 F CB -0.322 38.815 39.000 0.228 0.000 1.105 498 F HN 0.460 nan 8.300 nan 0.000 0.583 499 P HA 0.119 nan 4.420 nan 0.000 0.282 499 P C -0.541 176.768 177.300 0.016 0.000 1.262 499 P CA -0.191 62.906 63.100 -0.005 0.000 0.773 499 P CB 1.745 33.361 31.700 -0.139 0.000 0.879 500 V N 5.347 125.295 119.914 0.057 0.000 2.488 500 V HA 0.181 4.301 4.120 -0.000 0.000 0.277 500 V C -0.460 175.658 176.094 0.040 0.000 1.046 500 V CA -0.167 62.173 62.300 0.067 0.000 0.986 500 V CB 0.857 32.723 31.823 0.072 0.000 0.989 500 V HN 0.237 nan 8.190 nan 0.000 0.475 501 V N 7.310 127.252 119.914 0.046 0.000 2.384 501 V HA 0.730 4.850 4.120 -0.000 0.000 0.287 501 V C 0.467 176.588 176.094 0.045 0.000 1.020 501 V CA -0.203 62.123 62.300 0.042 0.000 0.850 501 V CB 1.348 33.195 31.823 0.040 0.000 0.987 501 V HN 1.134 nan 8.190 nan 0.000 0.436 502 A N 5.123 127.968 122.820 0.043 0.000 2.290 502 A HA 0.833 5.153 4.320 -0.000 0.000 0.310 502 A C -0.596 177.012 177.584 0.040 0.000 1.202 502 A CA -0.405 51.654 52.037 0.036 0.000 0.837 502 A CB 1.029 20.047 19.000 0.029 0.000 1.139 502 A HN 0.685 nan 8.150 nan 0.000 0.509 503 V N 3.878 123.812 119.914 0.032 0.000 2.735 503 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 503 V C 0.003 176.111 176.094 0.024 0.000 1.061 503 V CA -0.410 61.909 62.300 0.031 0.000 0.913 503 V CB 1.582 33.420 31.823 0.025 0.000 1.005 503 V HN 1.118 nan 8.190 nan 0.000 0.428 504 M N 1.851 121.466 119.600 0.025 0.000 2.683 504 M HA 0.832 5.312 4.480 -0.000 0.000 0.274 504 M C -1.354 174.958 176.300 0.021 0.000 1.272 504 M CA -0.457 54.855 55.300 0.019 0.000 0.833 504 M CB 2.635 35.245 32.600 0.016 0.000 1.708 504 M HN 0.368 nan 8.290 nan 0.000 0.463 505 S N 1.033 116.744 115.700 0.018 0.000 2.594 505 S HA 0.669 5.139 4.470 -0.000 0.000 0.296 505 S C -0.702 173.910 174.600 0.020 0.000 1.124 505 S CA -0.694 57.518 58.200 0.020 0.000 1.011 505 S CB 1.915 65.126 63.200 0.017 0.000 1.016 505 S HN 0.782 nan 8.310 nan 0.000 0.485 506 T N -0.281 114.288 114.554 0.026 0.000 2.829 506 T HA 0.861 5.211 4.350 -0.000 0.000 0.282 506 T C 0.173 174.893 174.700 0.033 0.000 0.990 506 T CA -0.711 61.407 62.100 0.028 0.000 1.028 506 T CB 1.264 70.154 68.868 0.036 0.000 0.951 506 T HN 1.133 nan 8.240 nan 0.000 0.460 507 G N 2.121 110.941 108.800 0.032 0.000 2.277 507 G HA2 0.101 4.061 3.960 -0.000 0.000 0.272 507 G HA3 0.101 4.061 3.960 -0.000 0.000 0.272 507 G C -0.224 174.693 174.900 0.028 0.000 1.692 507 G CA -0.928 44.194 45.100 0.036 0.000 0.926 507 G HN 0.625 nan 8.290 nan 0.000 0.720 508 N N 0.489 119.208 118.700 0.032 0.000 2.494 508 N HA 0.027 4.767 4.740 -0.000 0.000 0.182 508 N C 1.681 177.203 175.510 0.021 0.000 1.076 508 N CA 0.869 53.934 53.050 0.024 0.000 0.908 508 N CB 0.369 38.873 38.487 0.028 0.000 0.967 508 N HN 0.659 nan 8.380 nan 0.000 0.449 509 E N 1.203 121.417 120.200 0.022 0.000 2.465 509 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 509 E C -0.441 176.169 176.600 0.016 0.000 1.053 509 E CA -0.057 56.354 56.400 0.019 0.000 0.869 509 E CB -0.113 29.599 29.700 0.020 0.000 0.977 509 E HN 0.326 nan 8.360 nan 0.000 0.483 510 L N 1.323 122.555 121.223 0.015 0.000 2.309 510 L HA 0.467 4.807 4.340 -0.000 0.000 0.282 510 L C -0.038 176.838 176.870 0.010 0.000 1.036 510 L CA -0.764 54.084 54.840 0.013 0.000 0.806 510 L CB 1.473 43.540 42.059 0.014 0.000 1.220 510 L HN -0.073 nan 8.230 nan 0.000 0.429 511 L N 1.555 122.783 121.223 0.009 0.000 2.341 511 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 511 L C -0.221 176.653 176.870 0.006 0.000 1.009 511 L CA -0.951 53.893 54.840 0.007 0.000 0.819 511 L CB 1.295 43.358 42.059 0.006 0.000 1.323 511 L HN 0.492 nan 8.230 nan 0.000 0.425 512 N N 2.150 120.853 118.700 0.005 0.000 2.468 512 N HA 0.074 4.814 4.740 -0.000 0.000 0.265 512 N C -1.807 173.705 175.510 0.004 0.000 1.199 512 N CA -1.035 52.018 53.050 0.004 0.000 0.928 512 N CB 1.317 39.806 38.487 0.004 0.000 1.059 512 N HN 0.362 nan 8.380 nan 0.000 0.467 513 P HA -0.198 nan 4.420 nan 0.000 0.219 513 P C 0.573 177.875 177.300 0.002 0.000 1.149 513 P CA 1.439 64.541 63.100 0.003 0.000 0.835 513 P CB 0.368 32.069 31.700 0.002 0.000 0.778 514 E N -0.909 119.292 120.200 0.002 0.000 2.153 514 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 514 E C 0.660 177.261 176.600 0.002 0.000 0.988 514 E CA 0.746 57.148 56.400 0.002 0.000 0.811 514 E CB -0.697 29.004 29.700 0.002 0.000 0.746 514 E HN 0.407 nan 8.360 nan 0.000 0.466 515 D N 1.758 122.159 120.400 0.003 0.000 2.372 515 D HA 0.025 4.665 4.640 -0.000 0.000 0.243 515 D C -0.618 175.684 176.300 0.003 0.000 1.121 515 D CA 0.034 54.036 54.000 0.003 0.000 0.898 515 D CB 0.751 41.553 40.800 0.004 0.000 1.202 515 D HN 0.072 nan 8.370 nan 0.000 0.428 516 D N 1.166 121.568 120.400 0.003 0.000 2.348 516 D HA 0.178 4.818 4.640 -0.000 0.000 0.253 516 D C 0.277 176.580 176.300 0.004 0.000 1.161 516 D CA -0.389 53.612 54.000 0.003 0.000 0.876 516 D CB 0.848 41.650 40.800 0.003 0.000 1.160 516 D HN 0.208 nan 8.370 nan 0.000 0.459 517 L N 2.764 123.989 121.223 0.004 0.000 2.543 517 L HA 0.087 4.427 4.340 -0.000 0.000 0.285 517 L C -0.860 176.013 176.870 0.005 0.000 1.236 517 L CA 0.300 55.143 54.840 0.005 0.000 0.871 517 L CB 0.168 42.230 42.059 0.005 0.000 1.121 517 L HN 0.356 nan 8.230 nan 0.000 0.501 518 L N 5.155 126.382 121.223 0.006 0.000 2.313 518 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 518 L C -2.182 174.692 176.870 0.007 0.000 1.010 518 L CA -2.206 52.638 54.840 0.006 0.000 0.814 518 L CB 1.689 43.752 42.059 0.006 0.000 1.304 518 L HN 0.500 nan 8.230 nan 0.000 0.441 519 P HA 0.165 nan 4.420 nan 0.000 0.271 519 P C 0.518 177.823 177.300 0.008 0.000 1.226 519 P CA 0.462 63.567 63.100 0.007 0.000 0.765 519 P CB 0.800 32.504 31.700 0.006 0.000 0.835 520 G N 1.965 110.771 108.800 0.009 0.000 2.213 520 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.236 520 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.236 520 G C 0.091 174.998 174.900 0.012 0.000 0.991 520 G CA -0.227 44.879 45.100 0.011 0.000 0.629 520 G HN 0.538 nan 8.290 nan 0.000 0.517 521 K N 0.441 120.847 120.400 0.010 0.000 2.238 521 K HA 0.844 5.164 4.320 -0.000 0.000 0.239 521 K C 0.316 176.923 176.600 0.010 0.000 0.987 521 K CA -0.474 55.820 56.287 0.011 0.000 0.857 521 K CB 2.444 34.950 32.500 0.010 0.000 1.154 521 K HN 0.674 nan 8.250 nan 0.000 0.439 522 I N -2.712 117.864 120.570 0.011 0.000 3.279 522 I HA 0.517 4.687 4.170 -0.000 0.000 0.315 522 I C -0.716 175.406 176.117 0.009 0.000 1.187 522 I CA -1.481 59.825 61.300 0.010 0.000 0.953 522 I CB 1.927 39.934 38.000 0.011 0.000 1.279 522 I HN 0.319 nan 8.210 nan 0.000 0.465 523 R N 1.017 121.522 120.500 0.008 0.000 2.531 523 R HA 0.215 4.555 4.340 -0.000 0.000 0.273 523 R C -0.871 175.434 176.300 0.008 0.000 1.070 523 R CA -0.604 55.501 56.100 0.007 0.000 1.112 523 R CB 0.581 30.884 30.300 0.005 0.000 1.049 523 R HN 0.577 nan 8.270 nan 0.000 0.508 524 D N 0.917 121.321 120.400 0.007 0.000 2.402 524 D HA -0.007 4.633 4.640 -0.000 0.000 0.235 524 D C 0.851 177.154 176.300 0.006 0.000 1.226 524 D CA 0.319 54.324 54.000 0.008 0.000 0.918 524 D CB 0.904 41.709 40.800 0.008 0.000 1.043 524 D HN 0.435 nan 8.370 nan 0.000 0.506 525 S N 3.977 119.680 115.700 0.006 0.000 2.341 525 S HA -0.115 4.355 4.470 -0.000 0.000 0.216 525 S C 1.518 176.119 174.600 0.001 0.000 1.034 525 S CA 0.609 58.811 58.200 0.003 0.000 0.964 525 S CB -0.079 63.123 63.200 0.004 0.000 0.882 525 S HN 0.461 nan 8.310 nan 0.000 0.469 526 N N 1.706 120.408 118.700 0.004 0.000 2.084 526 N HA -0.082 4.658 4.740 -0.000 0.000 0.190 526 N C 1.893 177.402 175.510 -0.001 0.000 1.030 526 N CA 1.197 54.248 53.050 0.002 0.000 0.849 526 N CB -0.757 37.734 38.487 0.007 0.000 1.012 526 N HN 0.501 nan 8.380 nan 0.000 0.423 527 R N 0.740 121.242 120.500 0.003 0.000 2.134 527 R HA -0.140 4.200 4.340 -0.000 0.000 0.248 527 R C 2.189 178.487 176.300 -0.003 0.000 1.143 527 R CA 1.912 58.014 56.100 0.003 0.000 0.957 527 R CB -0.227 30.077 30.300 0.006 0.000 0.867 527 R HN 0.096 nan 8.270 nan 0.000 0.441 528 S N -0.864 114.833 115.700 -0.005 0.000 2.355 528 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 528 S C 1.776 176.365 174.600 -0.018 0.000 1.031 528 S CA 1.717 59.911 58.200 -0.010 0.000 0.993 528 S CB -0.196 62.999 63.200 -0.008 0.000 0.859 528 S HN 0.560 nan 8.310 nan 0.000 0.453 529 T N 2.726 117.269 114.554 -0.018 0.000 2.684 529 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 529 T C 1.761 176.439 174.700 -0.038 0.000 1.036 529 T CA 1.124 63.208 62.100 -0.027 0.000 1.148 529 T CB -0.441 68.413 68.868 -0.023 0.000 0.863 529 T HN 0.229 nan 8.240 nan 0.000 0.436 530 L N 0.051 121.257 121.223 -0.029 0.000 2.044 530 L HA 0.053 4.393 4.340 -0.000 0.000 0.205 530 L C 2.588 179.437 176.870 -0.036 0.000 1.075 530 L CA 0.930 55.750 54.840 -0.033 0.000 0.747 530 L CB -0.486 41.562 42.059 -0.017 0.000 0.903 530 L HN 0.238 nan 8.230 nan 0.000 0.435 531 L N -0.381 120.828 121.223 -0.023 0.000 2.042 531 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 531 L C 2.830 179.675 176.870 -0.042 0.000 1.076 531 L CA 1.387 56.215 54.840 -0.020 0.000 0.749 531 L CB -0.777 41.276 42.059 -0.010 0.000 0.893 531 L HN 0.266 nan 8.230 nan 0.000 0.432 532 A N -1.111 121.679 122.820 -0.049 0.000 1.930 532 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 532 A C 2.392 179.908 177.584 -0.114 0.000 1.175 532 A CA 2.200 54.196 52.037 -0.068 0.000 0.627 532 A CB -0.812 18.156 19.000 -0.053 0.000 0.815 532 A HN 0.348 nan 8.150 nan 0.000 0.443 533 T N 0.270 114.752 114.554 -0.119 0.000 2.746 533 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 533 T C 1.783 176.304 174.700 -0.299 0.000 1.039 533 T CA 1.830 63.816 62.100 -0.189 0.000 1.142 533 T CB -0.535 68.252 68.868 -0.136 0.000 0.866 533 T HN 0.643 nan 8.240 nan 0.000 0.444 534 I N -0.087 120.381 120.570 -0.169 0.000 2.406 534 I HA 0.048 4.218 4.170 -0.000 0.000 0.249 534 I C 2.197 178.222 176.117 -0.152 0.000 1.122 534 I CA 1.319 62.555 61.300 -0.106 0.000 1.431 534 I CB -0.743 37.291 38.000 0.056 0.000 1.087 534 I HN 0.132 nan 8.210 nan 0.000 0.424 535 Q N 0.833 120.556 119.800 -0.129 0.000 2.291 535 Q HA -0.202 4.138 4.340 -0.000 0.000 0.205 535 Q C 2.141 178.035 176.000 -0.177 0.000 0.970 535 Q CA 1.494 57.224 55.803 -0.121 0.000 0.876 535 Q CB -0.297 28.398 28.738 -0.072 0.000 0.935 535 Q HN 0.718 nan 8.270 nan 0.000 0.455 536 E N -0.093 119.961 120.200 -0.244 0.000 2.204 536 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 536 E C 1.139 177.626 176.600 -0.188 0.000 0.990 536 E CA 0.861 57.127 56.400 -0.224 0.000 0.821 536 E CB 0.204 29.743 29.700 -0.268 0.000 0.750 536 E HN 0.481 nan 8.360 nan 0.000 0.477 537 H N -1.335 117.581 119.070 -0.257 0.000 2.551 537 H HA 0.209 4.765 4.556 -0.000 0.000 0.266 537 H C 1.271 176.169 175.328 -0.717 0.000 0.964 537 H CA 0.827 56.596 56.048 -0.465 0.000 1.180 537 H CB 0.848 30.274 29.762 -0.561 0.000 1.408 537 H HN 0.316 nan 8.280 nan 0.000 0.563 538 G N 0.231 108.771 108.800 -0.433 0.000 2.165 538 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 538 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 538 G C -0.334 174.274 174.900 -0.486 0.000 1.035 538 G CA -0.249 44.636 45.100 -0.359 0.000 0.744 538 G HN 0.420 nan 8.290 nan 0.000 0.501 539 Y N -0.148 120.006 120.300 -0.243 0.000 2.316 539 Y HA 0.498 5.048 4.550 -0.000 0.000 0.324 539 Y C -1.642 174.224 175.900 -0.057 0.000 1.267 539 Y CA -2.408 55.558 58.100 -0.222 0.000 1.311 539 Y CB 1.056 39.416 38.460 -0.167 0.000 1.267 539 Y HN 0.052 nan 8.280 nan 0.000 0.516 540 P HA 0.108 nan 4.420 nan 0.000 0.284 540 P C -0.622 176.737 177.300 0.098 0.000 1.253 540 P CA -0.522 62.656 63.100 0.129 0.000 0.800 540 P CB 1.173 32.957 31.700 0.141 0.000 0.961 541 T N 1.542 116.135 114.554 0.066 0.000 2.888 541 T HA 0.668 5.018 4.350 -0.000 0.000 0.284 541 T C -0.643 174.081 174.700 0.040 0.000 1.017 541 T CA -0.741 61.388 62.100 0.048 0.000 1.022 541 T CB 0.178 69.064 68.868 0.031 0.000 1.013 541 T HN 0.188 nan 8.240 nan 0.000 0.465 542 I N 4.400 124.990 120.570 0.034 0.000 2.476 542 I HA 0.291 4.461 4.170 -0.000 0.000 0.281 542 I C -0.275 175.855 176.117 0.022 0.000 1.040 542 I CA -0.906 60.411 61.300 0.028 0.000 1.094 542 I CB 1.596 39.613 38.000 0.028 0.000 1.219 542 I HN 0.630 nan 8.210 nan 0.000 0.450 543 N N 7.395 126.105 118.700 0.017 0.000 2.399 543 N HA 0.188 4.928 4.740 -0.000 0.000 0.259 543 N C 0.399 175.916 175.510 0.012 0.000 1.160 543 N CA 0.188 53.246 53.050 0.013 0.000 0.946 543 N CB 0.976 39.470 38.487 0.010 0.000 1.156 543 N HN 0.632 nan 8.380 nan 0.000 0.489 544 L N 2.509 123.740 121.223 0.012 0.000 2.592 544 L HA 0.230 4.570 4.340 -0.000 0.000 0.227 544 L C 1.408 178.283 176.870 0.008 0.000 1.127 544 L CA 0.024 54.870 54.840 0.010 0.000 0.884 544 L CB -0.776 41.290 42.059 0.011 0.000 1.065 544 L HN 0.725 nan 8.230 nan 0.000 0.457 545 G N 1.416 110.220 108.800 0.008 0.000 2.697 545 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.240 545 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.240 545 G C -0.118 174.786 174.900 0.007 0.000 1.346 545 G CA -0.284 44.820 45.100 0.007 0.000 0.887 545 G HN 0.145 nan 8.290 nan 0.000 0.569 546 I N -0.091 120.482 120.570 0.006 0.000 2.428 546 I HA 0.587 4.757 4.170 -0.000 0.000 0.289 546 I C 0.706 176.826 176.117 0.005 0.000 1.019 546 I CA -0.899 60.405 61.300 0.007 0.000 1.351 546 I CB 0.953 38.958 38.000 0.008 0.000 1.412 546 I HN 0.838 nan 8.210 nan 0.000 0.513 547 V N 1.454 121.371 119.914 0.006 0.000 2.686 547 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 547 V C 0.373 176.468 176.094 0.002 0.000 1.065 547 V CA -0.650 61.651 62.300 0.000 0.000 0.894 547 V CB 0.931 32.752 31.823 -0.003 0.000 1.004 547 V HN 0.934 nan 8.190 nan 0.000 0.424 548 G N 1.126 109.924 108.800 -0.004 0.000 2.636 548 G HA2 0.296 4.256 3.960 -0.000 0.000 0.246 548 G HA3 0.296 4.256 3.960 -0.000 0.000 0.246 548 G C -0.307 174.594 174.900 0.001 0.000 1.216 548 G CA -0.084 45.016 45.100 0.000 0.000 0.854 548 G HN 0.965 nan 8.290 nan 0.000 0.572 549 D N -0.007 120.408 120.400 0.025 0.000 2.551 549 D HA 0.228 4.868 4.640 -0.000 0.000 0.223 549 D C -0.211 176.078 176.300 -0.019 0.000 1.144 549 D CA -0.268 53.767 54.000 0.058 0.000 1.025 549 D CB -0.593 40.289 40.800 0.137 0.000 1.085 549 D HN 0.483 nan 8.370 nan 0.000 0.506 550 N N 0.505 119.121 118.700 -0.141 0.000 2.406 550 N HA 0.319 5.059 4.740 -0.000 0.000 0.283 550 N C -2.555 172.781 175.510 -0.290 0.000 1.074 550 N CA -1.420 51.447 53.050 -0.305 0.000 0.916 550 N CB 1.773 40.155 38.487 -0.175 0.000 1.639 550 N HN -0.230 nan 8.380 nan 0.000 0.485 551 P HA -0.269 nan 4.420 nan 0.000 0.218 551 P C 0.581 177.791 177.300 -0.150 0.000 1.154 551 P CA 1.382 64.331 63.100 -0.251 0.000 0.872 551 P CB 0.263 31.807 31.700 -0.259 0.000 0.790 552 D N -0.629 119.691 120.400 -0.134 0.000 2.077 552 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 552 D C 1.165 177.423 176.300 -0.069 0.000 0.989 552 D CA 1.505 55.453 54.000 -0.087 0.000 0.831 552 D CB -0.299 40.459 40.800 -0.071 0.000 0.979 552 D HN 0.024 nan 8.370 nan 0.000 0.449 553 D N 0.686 121.046 120.400 -0.066 0.000 2.178 553 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 553 D C 2.111 178.384 176.300 -0.044 0.000 0.980 553 D CA 0.235 54.207 54.000 -0.047 0.000 0.842 553 D CB -0.490 40.286 40.800 -0.040 0.000 0.948 553 D HN 0.266 nan 8.370 nan 0.000 0.472 554 L N 0.018 121.206 121.223 -0.059 0.000 1.994 554 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 554 L C 2.188 179.032 176.870 -0.043 0.000 1.071 554 L CA 1.090 55.902 54.840 -0.048 0.000 0.745 554 L CB -0.292 41.731 42.059 -0.061 0.000 0.892 554 L HN 0.019 nan 8.230 nan 0.000 0.431 555 L N 0.113 121.303 121.223 -0.054 0.000 1.970 555 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 555 L C 2.305 179.152 176.870 -0.038 0.000 1.071 555 L CA 1.904 56.714 54.840 -0.050 0.000 0.751 555 L CB -1.115 40.909 42.059 -0.058 0.000 0.889 555 L HN 0.348 nan 8.230 nan 0.000 0.432 556 N N -0.065 118.613 118.700 -0.036 0.000 2.089 556 N HA -0.291 4.449 4.740 -0.000 0.000 0.198 556 N C 1.676 177.174 175.510 -0.021 0.000 1.017 556 N CA 2.005 55.038 53.050 -0.027 0.000 0.880 556 N CB -0.426 38.045 38.487 -0.026 0.000 1.042 556 N HN 0.613 nan 8.380 nan 0.000 0.446 557 A N 1.242 124.050 122.820 -0.020 0.000 1.825 557 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 557 A C 2.479 180.055 177.584 -0.013 0.000 1.206 557 A CA 1.041 53.070 52.037 -0.013 0.000 0.609 557 A CB -1.076 17.918 19.000 -0.011 0.000 0.851 557 A HN 0.241 nan 8.150 nan 0.000 0.445 558 L N 0.208 121.420 121.223 -0.018 0.000 2.123 558 L HA -0.340 4.000 4.340 -0.000 0.000 0.217 558 L C 2.387 179.245 176.870 -0.021 0.000 1.081 558 L CA 1.621 56.448 54.840 -0.021 0.000 0.772 558 L CB -0.673 41.367 42.059 -0.033 0.000 0.890 558 L HN 0.447 nan 8.230 nan 0.000 0.437 559 N N -0.356 118.331 118.700 -0.021 0.000 2.062 559 N HA -0.219 4.521 4.740 -0.000 0.000 0.191 559 N C 1.765 177.268 175.510 -0.011 0.000 1.042 559 N CA 1.471 54.510 53.050 -0.017 0.000 0.845 559 N CB -0.271 38.205 38.487 -0.018 0.000 1.024 559 N HN 0.392 nan 8.380 nan 0.000 0.424 560 E N 0.285 120.480 120.200 -0.008 0.000 2.114 560 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 560 E C 1.879 178.479 176.600 -0.000 0.000 1.008 560 E CA 1.757 58.156 56.400 -0.003 0.000 0.810 560 E CB -0.473 29.226 29.700 -0.002 0.000 0.739 560 E HN 0.383 nan 8.360 nan 0.000 0.456 561 G N 1.109 109.909 108.800 -0.001 0.000 2.587 561 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 561 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 561 G C 1.592 176.493 174.900 0.001 0.000 1.240 561 G CA 1.407 46.509 45.100 0.002 0.000 0.794 561 G HN 0.338 nan 8.290 nan 0.000 0.580 562 I N 1.196 121.762 120.570 -0.007 0.000 2.248 562 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 562 I C 3.050 179.165 176.117 -0.003 0.000 1.107 562 I CA 1.521 62.816 61.300 -0.009 0.000 1.373 562 I CB -0.264 37.726 38.000 -0.017 0.000 1.055 562 I HN 0.352 nan 8.210 nan 0.000 0.418 563 S N 0.581 116.280 115.700 -0.002 0.000 2.383 563 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 563 S C 2.248 176.851 174.600 0.006 0.000 1.026 563 S CA 1.109 59.309 58.200 0.001 0.000 0.981 563 S CB -0.035 63.165 63.200 0.000 0.000 0.818 563 S HN 0.279 nan 8.310 nan 0.000 0.472 564 R N 0.707 121.212 120.500 0.008 0.000 2.237 564 R HA 0.517 4.857 4.340 -0.000 0.000 0.195 564 R C 0.654 176.965 176.300 0.019 0.000 0.956 564 R CA 0.781 56.889 56.100 0.014 0.000 1.029 564 R CB 0.072 30.380 30.300 0.014 0.000 0.972 564 R HN 0.519 nan 8.270 nan 0.000 0.493 565 A N -0.343 122.487 122.820 0.018 0.000 2.504 565 A HA 0.496 4.816 4.320 -0.000 0.000 0.285 565 A C -0.543 177.052 177.584 0.018 0.000 1.261 565 A CA -0.522 51.529 52.037 0.023 0.000 0.741 565 A CB 0.869 19.886 19.000 0.028 0.000 1.327 565 A HN 0.048 nan 8.150 nan 0.000 0.441 566 D N -1.039 119.374 120.400 0.021 0.000 2.423 566 D HA 0.231 4.871 4.640 -0.000 0.000 0.212 566 D C -0.208 176.104 176.300 0.019 0.000 1.060 566 D CA 0.848 54.857 54.000 0.015 0.000 0.872 566 D CB 0.837 41.645 40.800 0.014 0.000 1.012 566 D HN 0.147 nan 8.370 nan 0.000 0.503 567 V N 1.977 121.913 119.914 0.036 0.000 2.577 567 V HA 0.348 4.468 4.120 -0.000 0.000 0.303 567 V C -0.572 175.569 176.094 0.079 0.000 1.042 567 V CA -0.832 61.513 62.300 0.075 0.000 0.872 567 V CB 2.243 34.148 31.823 0.136 0.000 0.998 567 V HN -0.118 nan 8.190 nan 0.000 0.423 568 I N 5.687 126.300 120.570 0.071 0.000 2.336 568 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 568 I C -0.263 175.929 176.117 0.125 0.000 0.991 568 I CA -0.039 61.301 61.300 0.067 0.000 1.227 568 I CB 1.287 39.299 38.000 0.021 0.000 1.366 568 I HN 0.377 nan 8.210 nan 0.000 0.466 569 I N 5.647 126.286 120.570 0.116 0.000 2.406 569 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 569 I C -0.426 175.741 176.117 0.084 0.000 0.999 569 I CA -0.354 61.029 61.300 0.137 0.000 1.124 569 I CB 1.857 39.922 38.000 0.108 0.000 1.289 569 I HN 0.619 nan 8.210 nan 0.000 0.441 570 T N 1.371 115.977 114.554 0.088 0.000 2.792 570 T HA 0.358 4.708 4.350 -0.000 0.000 0.280 570 T C -0.311 174.425 174.700 0.060 0.000 0.990 570 T CA -0.766 61.369 62.100 0.058 0.000 0.960 570 T CB 1.671 70.566 68.868 0.045 0.000 0.939 570 T HN 0.407 nan 8.240 nan 0.000 0.439 571 S N 2.237 117.965 115.700 0.045 0.000 2.532 571 S HA 0.683 5.153 4.470 -0.000 0.000 0.318 571 S C 0.027 174.650 174.600 0.039 0.000 1.083 571 S CA -0.482 57.743 58.200 0.042 0.000 1.131 571 S CB -0.372 62.847 63.200 0.031 0.000 0.973 571 S HN 1.254 nan 8.310 nan 0.000 0.468 572 G N 2.809 111.636 108.800 0.044 0.000 2.182 572 G HA2 0.443 4.403 3.960 -0.000 0.000 0.293 572 G HA3 0.443 4.403 3.960 -0.000 0.000 0.293 572 G C 0.190 175.119 174.900 0.049 0.000 1.409 572 G CA -0.236 44.891 45.100 0.044 0.000 1.153 572 G HN 0.902 nan 8.290 nan 0.000 0.586 573 G N 1.141 109.968 108.800 0.046 0.000 2.477 573 G HA2 0.406 4.366 3.960 -0.000 0.000 0.290 573 G HA3 0.406 4.366 3.960 -0.000 0.000 0.290 573 G C 0.615 175.544 174.900 0.049 0.000 0.700 573 G CA 1.017 46.145 45.100 0.046 0.000 1.304 573 G HN 1.535 nan 8.290 nan 0.000 0.289 581 Y N 0.623 120.938 120.300 0.025 0.000 2.096 581 Y HA -0.223 4.327 4.550 -0.000 0.000 0.278 581 Y C 2.784 178.687 175.900 0.005 0.000 1.192 581 Y CA 1.740 59.847 58.100 0.011 0.000 1.143 581 Y CB 0.069 38.534 38.460 0.009 0.000 0.963 581 Y HN 0.382 nan 8.280 nan 0.000 0.505 582 L N 1.190 122.523 121.223 0.183 0.000 1.973 582 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 582 L C 2.455 179.357 176.870 0.053 0.000 1.073 582 L CA 1.996 56.885 54.840 0.083 0.000 0.746 582 L CB -1.011 41.086 42.059 0.063 0.000 0.891 582 L HN 0.245 nan 8.230 nan 0.000 0.433 583 K N 0.291 120.731 120.400 0.067 0.000 2.089 583 K HA -0.303 4.017 4.320 -0.000 0.000 0.210 583 K C 1.926 178.568 176.600 0.070 0.000 1.048 583 K CA 2.146 58.474 56.287 0.068 0.000 0.926 583 K CB -0.423 32.174 32.500 0.162 0.000 0.714 583 K HN 0.531 nan 8.250 nan 0.000 0.448 584 Q N 0.197 120.048 119.800 0.084 0.000 2.135 584 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 584 Q C 2.139 178.141 176.000 0.003 0.000 0.981 584 Q CA 1.531 57.368 55.803 0.056 0.000 0.856 584 Q CB 0.135 28.927 28.738 0.090 0.000 0.902 584 Q HN 0.218 nan 8.270 nan 0.000 0.425 585 V N 0.690 120.601 119.914 -0.005 0.000 2.379 585 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 585 V C 2.133 178.180 176.094 -0.078 0.000 1.044 585 V CA 1.426 63.697 62.300 -0.049 0.000 1.036 585 V CB -0.435 31.360 31.823 -0.047 0.000 0.664 585 V HN 0.344 nan 8.190 nan 0.000 0.453 586 L N -0.167 121.017 121.223 -0.065 0.000 2.005 586 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 586 L C 2.262 179.073 176.870 -0.098 0.000 1.072 586 L CA 1.933 56.720 54.840 -0.089 0.000 0.744 586 L CB -0.779 41.222 42.059 -0.097 0.000 0.895 586 L HN 0.279 nan 8.230 nan 0.000 0.433 587 D N -0.537 119.826 120.400 -0.062 0.000 2.348 587 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 587 D C 1.721 177.974 176.300 -0.079 0.000 0.970 587 D CA 1.004 54.977 54.000 -0.044 0.000 0.889 587 D CB 0.358 41.170 40.800 0.020 0.000 0.912 587 D HN 0.304 nan 8.370 nan 0.000 0.524 588 I N -0.966 119.516 120.570 -0.147 0.000 4.046 588 I HA 0.072 4.242 4.170 -0.000 0.000 0.285 588 I C 1.207 177.043 176.117 -0.468 0.000 1.183 588 I CA 0.008 61.175 61.300 -0.222 0.000 1.337 588 I CB 0.349 38.288 38.000 -0.102 0.000 1.478 588 I HN -0.275 nan 8.210 nan 0.000 0.452 589 D N 0.873 121.082 120.400 -0.318 0.000 2.183 589 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 589 D C 2.120 178.218 176.300 -0.336 0.000 0.962 589 D CA 1.214 55.034 54.000 -0.299 0.000 0.849 589 D CB 0.146 40.855 40.800 -0.153 0.000 0.978 589 D HN 0.189 nan 8.370 nan 0.000 0.488 590 L N -0.708 120.355 121.223 -0.267 0.000 2.477 590 L HA 0.127 4.467 4.340 -0.000 0.000 0.220 590 L C -0.238 176.582 176.870 -0.083 0.000 1.106 590 L CA 0.157 54.909 54.840 -0.146 0.000 0.851 590 L CB -0.360 41.641 42.059 -0.097 0.000 0.994 590 L HN 0.157 nan 8.230 nan 0.000 0.462 591 H N -0.820 118.220 119.070 -0.050 0.000 2.748 591 H HA -0.122 4.434 4.556 -0.000 0.000 0.322 591 H C 0.346 175.627 175.328 -0.079 0.000 1.208 591 H CA 0.118 56.132 56.048 -0.056 0.000 1.151 591 H CB -1.282 28.452 29.762 -0.046 0.000 1.505 591 H HN 0.471 nan 8.280 nan 0.000 0.429 592 A N 0.649 123.447 122.820 -0.037 0.000 2.264 592 A HA 0.623 4.942 4.320 -0.000 0.000 0.304 592 A C 0.228 177.726 177.584 -0.143 0.000 1.100 592 A CA -0.740 51.235 52.037 -0.102 0.000 0.839 592 A CB 0.828 19.742 19.000 -0.143 0.000 1.121 592 A HN 0.325 nan 8.150 nan 0.000 0.496 593 Q N 0.667 120.322 119.800 -0.242 0.000 2.425 593 Q HA 0.486 4.826 4.340 -0.000 0.000 0.254 593 Q C -1.061 174.613 176.000 -0.544 0.000 1.032 593 Q CA 0.206 55.795 55.803 -0.355 0.000 0.798 593 Q CB 0.986 29.476 28.738 -0.413 0.000 1.210 593 Q HN 0.577 nan 8.270 nan 0.000 0.491 594 I N 3.356 123.705 120.570 -0.370 0.000 2.505 594 I HA -0.048 4.122 4.170 -0.000 0.000 0.287 594 I C 1.149 177.023 176.117 -0.405 0.000 1.104 594 I CA 0.168 61.227 61.300 -0.401 0.000 1.387 594 I CB 0.475 38.296 38.000 -0.299 0.000 1.404 594 I HN 0.696 nan 8.210 nan 0.000 0.528 595 H N 6.472 125.346 119.070 -0.326 0.000 2.497 595 H HA 0.137 4.693 4.556 -0.000 0.000 0.282 595 H C -0.195 175.166 175.328 0.055 0.000 1.003 595 H CA 0.838 56.812 56.048 -0.123 0.000 1.307 595 H CB 0.407 30.106 29.762 -0.106 0.000 1.437 595 H HN 0.581 nan 8.280 nan 0.000 0.544 596 F N -2.918 117.034 119.950 0.003 0.000 2.678 596 F HA 0.565 5.092 4.527 -0.000 0.000 0.308 596 F C 0.437 176.073 175.800 -0.274 0.000 1.118 596 F CA -0.933 57.023 58.000 -0.072 0.000 0.959 596 F CB 1.103 40.115 39.000 0.021 0.000 1.305 596 F HN -0.173 nan 8.300 nan 0.000 0.443 597 G N 0.918 109.652 108.800 -0.110 0.000 2.695 597 G HA2 0.357 4.317 3.960 -0.000 0.000 0.205 597 G HA3 0.357 4.317 3.960 -0.000 0.000 0.205 597 G C -0.071 174.840 174.900 0.018 0.000 1.068 597 G CA -0.322 44.544 45.100 -0.390 0.000 0.842 597 G HN 0.501 nan 8.290 nan 0.000 0.628 598 R N -0.209 120.392 120.500 0.170 0.000 2.725 598 R HA 0.592 4.932 4.340 -0.000 0.000 0.277 598 R C -1.600 174.795 176.300 0.157 0.000 0.987 598 R CA -0.575 55.630 56.100 0.175 0.000 0.901 598 R CB 2.958 33.354 30.300 0.160 0.000 1.207 598 R HN 0.095 nan 8.270 nan 0.000 0.463 599 V N -0.624 119.382 119.914 0.154 0.000 2.760 599 V HA 0.456 4.576 4.120 -0.000 0.000 0.309 599 V C -0.462 175.785 176.094 0.255 0.000 1.077 599 V CA -0.918 61.458 62.300 0.126 0.000 0.910 599 V CB 1.969 33.826 31.823 0.057 0.000 1.008 599 V HN 0.805 nan 8.190 nan 0.000 0.424 600 F N 6.578 126.563 119.950 0.057 0.000 2.651 600 F HA 0.617 5.144 4.527 -0.000 0.000 0.347 600 F C 0.180 176.038 175.800 0.095 0.000 1.284 600 F CA -0.383 57.658 58.000 0.068 0.000 1.175 600 F CB -0.061 38.970 39.000 0.051 0.000 1.542 600 F HN 0.803 nan 8.300 nan 0.000 0.661 601 M N 3.100 122.810 119.600 0.183 0.000 2.603 601 M HA 0.447 4.927 4.480 -0.000 0.000 0.275 601 M C -2.149 174.217 176.300 0.111 0.000 1.226 601 M CA -1.049 54.318 55.300 0.112 0.000 0.870 601 M CB 2.345 35.097 32.600 0.254 0.000 1.716 601 M HN 0.102 nan 8.290 nan 0.000 0.482 602 K N 2.356 122.802 120.400 0.076 0.000 2.463 602 K HA 0.716 5.036 4.320 -0.000 0.000 0.255 602 K C -2.885 173.765 176.600 0.084 0.000 0.942 602 K CA -1.507 54.819 56.287 0.064 0.000 0.814 602 K CB 2.438 34.950 32.500 0.021 0.000 1.122 602 K HN 0.475 nan 8.250 nan 0.000 0.425 603 P HA 0.324 nan 4.420 nan 0.000 0.301 603 P C -0.259 177.098 177.300 0.094 0.000 1.309 603 P CA -0.076 63.056 63.100 0.052 0.000 0.782 603 P CB 0.880 32.583 31.700 0.004 0.000 1.282 604 G N -1.028 107.829 108.800 0.096 0.000 2.207 604 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 604 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 604 G C 0.534 175.533 174.900 0.165 0.000 1.053 604 G CA 0.149 45.325 45.100 0.127 0.000 0.764 604 G HN 0.505 nan 8.290 nan 0.000 0.495 605 L N 0.132 121.446 121.223 0.151 0.000 2.013 605 L HA 0.016 4.356 4.340 -0.000 0.000 0.212 605 L C -0.219 176.748 176.870 0.161 0.000 1.073 605 L CA 2.666 57.607 54.840 0.168 0.000 0.753 605 L CB -0.180 41.973 42.059 0.157 0.000 0.890 605 L HN 0.295 nan 8.230 nan 0.000 0.432 606 P HA 0.046 nan 4.420 nan 0.000 0.255 606 P C -0.231 177.145 177.300 0.127 0.000 1.357 606 P CA 0.141 63.314 63.100 0.121 0.000 0.839 606 P CB -0.193 31.564 31.700 0.096 0.000 1.356 607 T N 0.449 115.112 114.554 0.182 0.000 2.928 607 T HA 0.185 4.535 4.350 -0.000 0.000 0.305 607 T C 0.437 175.250 174.700 0.187 0.000 1.035 607 T CA 0.844 63.073 62.100 0.215 0.000 1.145 607 T CB -0.068 68.994 68.868 0.324 0.000 0.963 607 T HN -0.026 nan 8.240 nan 0.000 0.545 608 T N 4.014 118.602 114.554 0.056 0.000 2.881 608 T HA 0.459 4.809 4.350 -0.000 0.000 0.291 608 T C -0.976 173.569 174.700 -0.258 0.000 0.990 608 T CA -0.521 61.476 62.100 -0.172 0.000 0.976 608 T CB 0.548 69.308 68.868 -0.181 0.000 0.970 608 T HN 0.412 nan 8.240 nan 0.000 0.438 609 F N 2.938 122.322 119.950 -0.943 0.000 2.403 609 F HA 0.843 5.370 4.527 -0.000 0.000 0.326 609 F C -0.198 175.212 175.800 -0.650 0.000 1.081 609 F CA -1.378 56.073 58.000 -0.915 0.000 1.041 609 F CB 0.926 39.131 39.000 -1.326 0.000 1.234 609 F HN 0.683 nan 8.300 nan 0.000 0.503 610 A N 1.924 124.075 122.820 -1.116 0.000 2.594 610 A HA 0.610 4.930 4.320 -0.000 0.000 0.296 610 A C -1.042 176.039 177.584 -0.837 0.000 1.056 610 A CA -0.220 51.317 52.037 -0.834 0.000 0.693 610 A CB 0.951 19.663 19.000 -0.480 0.000 1.278 610 A HN 0.996 nan 8.150 nan 0.000 0.408 611 T N -0.768 113.462 114.554 -0.539 0.000 2.924 611 T HA 0.820 5.170 4.350 -0.000 0.000 0.291 611 T C -0.770 173.802 174.700 -0.214 0.000 1.045 611 T CA -0.698 61.200 62.100 -0.337 0.000 1.015 611 T CB 1.576 70.330 68.868 -0.189 0.000 1.103 611 T HN 1.733 nan 8.240 nan 0.000 0.496 612 L N 1.134 122.270 121.223 -0.144 0.000 2.543 612 L HA 0.489 4.829 4.340 -0.000 0.000 0.265 612 L C -1.867 174.966 176.870 -0.062 0.000 0.945 612 L CA -0.547 54.236 54.840 -0.095 0.000 0.869 612 L CB 1.970 43.974 42.059 -0.091 0.000 1.294 612 L HN 0.771 nan 8.230 nan 0.000 0.405 613 D N 7.146 127.520 120.400 -0.043 0.000 2.454 613 D HA 0.357 4.997 4.640 -0.000 0.000 0.225 613 D C -0.242 176.045 176.300 -0.021 0.000 1.081 613 D CA -0.045 53.938 54.000 -0.029 0.000 0.864 613 D CB 2.182 42.968 40.800 -0.024 0.000 1.040 613 D HN 0.379 nan 8.370 nan 0.000 0.517 614 I N 1.341 121.901 120.570 -0.018 0.000 2.304 614 I HA -0.013 4.157 4.170 -0.000 0.000 0.291 614 I C 0.230 176.341 176.117 -0.010 0.000 1.018 614 I CA -0.293 61.000 61.300 -0.012 0.000 1.260 614 I CB 0.678 38.672 38.000 -0.010 0.000 1.390 614 I HN 0.340 nan 8.210 nan 0.000 0.475 615 D N 5.712 126.107 120.400 -0.009 0.000 2.704 615 D HA -0.199 4.441 4.640 -0.000 0.000 0.232 615 D C 1.174 177.471 176.300 -0.006 0.000 1.183 615 D CA 1.413 55.408 54.000 -0.008 0.000 0.647 615 D CB -0.492 40.305 40.800 -0.005 0.000 1.013 615 D HN 1.049 nan 8.370 nan 0.000 0.415 616 G N -0.759 108.036 108.800 -0.008 0.000 2.212 616 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.267 616 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.267 616 G C 0.448 175.345 174.900 -0.005 0.000 1.002 616 G CA 0.365 45.462 45.100 -0.006 0.000 0.729 616 G HN 0.755 nan 8.290 nan 0.000 0.517 617 V N 1.151 121.061 119.914 -0.006 0.000 2.259 617 V HA 0.310 4.430 4.120 -0.000 0.000 0.267 617 V C 1.020 177.108 176.094 -0.010 0.000 1.051 617 V CA -0.679 61.619 62.300 -0.004 0.000 0.830 617 V CB 1.024 32.846 31.823 -0.002 0.000 1.080 617 V HN 0.473 nan 8.190 nan 0.000 0.467 618 R N 5.198 125.691 120.500 -0.011 0.000 2.399 618 R HA 0.162 4.502 4.340 -0.000 0.000 0.324 618 R C 0.027 176.311 176.300 -0.027 0.000 1.030 618 R CA -0.098 55.989 56.100 -0.022 0.000 0.984 618 R CB 0.275 30.563 30.300 -0.020 0.000 0.961 618 R HN 0.516 nan 8.270 nan 0.000 0.433 619 K N 4.835 125.211 120.400 -0.041 0.000 2.118 619 K HA 0.299 4.618 4.320 -0.000 0.000 0.264 619 K C 0.060 176.607 176.600 -0.088 0.000 1.000 619 K CA -0.503 55.756 56.287 -0.046 0.000 0.929 619 K CB 1.388 33.863 32.500 -0.042 0.000 1.021 619 K HN 0.544 nan 8.250 nan 0.000 0.463 620 I N 2.450 122.970 120.570 -0.083 0.000 2.569 620 I HA 0.361 4.531 4.170 -0.000 0.000 0.296 620 I C -0.772 175.225 176.117 -0.201 0.000 1.028 620 I CA -1.103 60.099 61.300 -0.164 0.000 1.082 620 I CB 1.482 39.451 38.000 -0.051 0.000 1.264 620 I HN 0.445 nan 8.210 nan 0.000 0.429 621 I N 5.634 125.981 120.570 -0.372 0.000 2.503 621 I HA 0.308 4.478 4.170 -0.000 0.000 0.282 621 I C -1.089 174.827 176.117 -0.335 0.000 1.059 621 I CA -0.304 60.837 61.300 -0.264 0.000 1.081 621 I CB 0.964 38.842 38.000 -0.203 0.000 1.210 621 I HN 0.209 nan 8.210 nan 0.000 0.450 622 F N 4.344 124.324 119.950 0.049 0.000 2.411 622 F HA 0.661 5.188 4.527 -0.000 0.000 0.350 622 F C 0.793 176.593 175.800 -0.000 0.000 1.114 622 F CA -0.558 57.466 58.000 0.040 0.000 1.135 622 F CB 1.509 40.538 39.000 0.050 0.000 1.120 622 F HN 0.510 nan 8.300 nan 0.000 0.495 623 A N 6.187 129.085 122.820 0.130 0.000 2.316 623 A HA 0.706 5.026 4.320 -0.000 0.000 0.324 623 A C -0.676 176.971 177.584 0.105 0.000 1.375 623 A CA -0.576 51.509 52.037 0.080 0.000 0.882 623 A CB -0.132 18.873 19.000 0.009 0.000 1.152 623 A HN 0.785 nan 8.150 nan 0.000 0.512 624 L N 3.442 124.735 121.223 0.117 0.000 2.379 624 L HA 0.488 4.828 4.340 -0.000 0.000 0.269 624 L C -1.817 175.102 176.870 0.082 0.000 1.084 624 L CA -2.216 52.691 54.840 0.111 0.000 0.802 624 L CB 0.800 42.917 42.059 0.097 0.000 1.175 624 L HN 0.413 nan 8.230 nan 0.000 0.448 625 P HA -0.021 nan 4.420 nan 0.000 0.272 625 P C 0.335 177.666 177.300 0.052 0.000 1.248 625 P CA -0.092 63.049 63.100 0.068 0.000 0.799 625 P CB 0.569 32.312 31.700 0.073 0.000 0.997 626 G N -0.447 108.380 108.800 0.045 0.000 2.492 626 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.214 626 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.214 626 G C 0.742 175.659 174.900 0.028 0.000 1.147 626 G CA 0.156 45.277 45.100 0.035 0.000 0.809 626 G HN 0.567 nan 8.290 nan 0.000 0.533 627 N N 1.715 120.432 118.700 0.029 0.000 2.386 627 N HA 0.106 4.846 4.740 -0.000 0.000 0.273 627 N C -1.451 174.067 175.510 0.014 0.000 1.331 627 N CA -1.410 51.653 53.050 0.021 0.000 0.891 627 N CB 1.325 39.826 38.487 0.023 0.000 1.139 627 N HN -0.075 nan 8.380 nan 0.000 0.487 628 P HA -0.166 nan 4.420 nan 0.000 0.220 628 P C 0.986 178.284 177.300 -0.004 0.000 1.144 628 P CA 0.724 63.826 63.100 0.004 0.000 0.800 628 P CB 0.337 32.039 31.700 0.003 0.000 0.772 629 V N -0.824 119.086 119.914 -0.007 0.000 2.379 629 V HA -0.153 3.966 4.120 -0.000 0.000 0.243 629 V C 2.292 178.372 176.094 -0.024 0.000 1.035 629 V CA 2.120 64.408 62.300 -0.020 0.000 1.035 629 V CB -1.342 30.463 31.823 -0.030 0.000 0.673 629 V HN 0.141 nan 8.190 nan 0.000 0.457 630 S N 1.220 116.914 115.700 -0.010 0.000 2.370 630 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 630 S C 2.283 176.885 174.600 0.004 0.000 1.033 630 S CA 1.444 59.646 58.200 0.002 0.000 1.011 630 S CB -0.694 62.524 63.200 0.029 0.000 0.852 630 S HN 0.625 nan 8.310 nan 0.000 0.457 631 A N 1.599 124.424 122.820 0.008 0.000 1.903 631 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 631 A C 2.408 179.980 177.584 -0.019 0.000 1.191 631 A CA 2.075 54.115 52.037 0.005 0.000 0.638 631 A CB -1.187 17.817 19.000 0.006 0.000 0.823 631 A HN 0.360 nan 8.150 nan 0.000 0.451 632 V N -0.573 119.323 119.914 -0.029 0.000 2.270 632 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 632 V C 2.580 178.633 176.094 -0.068 0.000 1.043 632 V CA 1.949 64.222 62.300 -0.046 0.000 1.014 632 V CB -0.962 30.838 31.823 -0.039 0.000 0.645 632 V HN 0.379 nan 8.190 nan 0.000 0.447 633 V N 1.114 120.986 119.914 -0.071 0.000 2.252 633 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 633 V C 2.813 178.797 176.094 -0.184 0.000 1.056 633 V CA 2.817 65.049 62.300 -0.113 0.000 1.022 633 V CB -1.391 30.378 31.823 -0.088 0.000 0.641 633 V HN 0.844 nan 8.190 nan 0.000 0.445 634 T N -2.523 111.959 114.554 -0.120 0.000 2.777 634 T HA -0.270 4.080 4.350 -0.000 0.000 0.266 634 T C 2.015 176.633 174.700 -0.137 0.000 1.040 634 T CA 1.440 63.475 62.100 -0.108 0.000 1.141 634 T CB -1.177 67.763 68.868 0.119 0.000 0.868 634 T HN 0.508 nan 8.240 nan 0.000 0.444 635 C N 2.729 121.965 119.300 -0.107 0.000 2.388 635 C HA -0.181 4.279 4.460 -0.000 0.000 0.277 635 C C 2.620 177.503 174.990 -0.178 0.000 1.210 635 C CA 1.664 60.591 59.018 -0.152 0.000 1.743 635 C CB -1.947 25.728 27.740 -0.109 0.000 2.047 635 C HN 0.673 nan 8.230 nan 0.000 0.458 636 N N 0.178 118.789 118.700 -0.150 0.000 2.364 636 N HA -0.033 4.707 4.740 -0.000 0.000 0.183 636 N C 1.593 176.971 175.510 -0.220 0.000 1.022 636 N CA 1.185 54.157 53.050 -0.130 0.000 0.883 636 N CB -0.130 38.300 38.487 -0.094 0.000 0.965 636 N HN 0.565 nan 8.380 nan 0.000 0.438 637 L N -1.717 119.276 121.223 -0.383 0.000 2.249 637 L HA 0.103 4.442 4.340 -0.000 0.000 0.207 637 L C 0.918 177.368 176.870 -0.701 0.000 1.090 637 L CA 0.912 55.383 54.840 -0.614 0.000 0.802 637 L CB -0.047 41.401 42.059 -1.018 0.000 0.947 637 L HN 0.210 nan 8.230 nan 0.000 0.453 638 F N -2.181 117.576 119.950 -0.322 0.000 2.532 638 F HA 0.050 4.577 4.527 -0.000 0.000 0.276 638 F C 2.184 177.625 175.800 -0.600 0.000 0.911 638 F CA -0.020 57.708 58.000 -0.454 0.000 1.196 638 F CB -0.070 38.734 39.000 -0.326 0.000 1.087 638 F HN -0.386 nan 8.300 nan 0.000 0.775 639 V N 0.466 120.030 119.914 -0.584 0.000 2.255 639 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 639 V C 2.174 178.091 176.094 -0.294 0.000 1.051 639 V CA 1.821 63.663 62.300 -0.763 0.000 1.018 639 V CB -0.730 30.716 31.823 -0.627 0.000 0.641 639 V HN 0.171 nan 8.190 nan 0.000 0.445 640 V N 0.183 120.000 119.914 -0.163 0.000 2.233 640 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 640 V C 0.224 176.281 176.094 -0.062 0.000 1.050 640 V CA 2.740 65.032 62.300 -0.012 0.000 1.010 640 V CB -1.961 29.903 31.823 0.067 0.000 0.637 640 V HN 0.495 nan 8.190 nan 0.000 0.444 641 P HA -0.220 nan 4.420 nan 0.000 0.217 641 P C 1.615 178.851 177.300 -0.106 0.000 1.151 641 P CA 2.273 65.305 63.100 -0.113 0.000 0.849 641 P CB -0.156 31.393 31.700 -0.252 0.000 0.787 642 A N -0.954 121.793 122.820 -0.122 0.000 1.897 642 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 642 A C 2.171 179.735 177.584 -0.033 0.000 1.181 642 A CA 1.285 53.299 52.037 -0.038 0.000 0.620 642 A CB -1.561 17.501 19.000 0.103 0.000 0.821 642 A HN 0.110 nan 8.150 nan 0.000 0.443 643 L N -1.113 120.062 121.223 -0.079 0.000 2.083 643 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 643 L C 2.795 179.571 176.870 -0.157 0.000 1.083 643 L CA 1.500 56.209 54.840 -0.219 0.000 0.752 643 L CB -0.555 41.280 42.059 -0.372 0.000 0.899 643 L HN 0.325 nan 8.230 nan 0.000 0.433 644 R N 0.616 121.103 120.500 -0.022 0.000 2.082 644 R HA -0.229 4.111 4.340 -0.000 0.000 0.234 644 R C 2.381 178.681 176.300 -0.001 0.000 1.136 644 R CA 1.937 58.046 56.100 0.014 0.000 0.935 644 R CB -0.284 29.997 30.300 -0.032 0.000 0.842 644 R HN 0.114 nan 8.270 nan 0.000 0.430 645 K N 0.643 121.037 120.400 -0.009 0.000 2.127 645 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 645 K C 1.939 178.547 176.600 0.014 0.000 1.047 645 K CA 1.753 58.044 56.287 0.007 0.000 0.927 645 K CB -0.182 32.324 32.500 0.010 0.000 0.716 645 K HN 0.121 nan 8.250 nan 0.000 0.450 646 M N 0.660 120.258 119.600 -0.004 0.000 2.175 646 M HA -0.153 4.326 4.480 -0.000 0.000 0.264 646 M C 2.009 178.331 176.300 0.036 0.000 1.063 646 M CA 1.717 57.017 55.300 -0.001 0.000 1.119 646 M CB -0.062 32.511 32.600 -0.045 0.000 1.377 646 M HN 0.375 nan 8.290 nan 0.000 0.415 647 Q N -0.288 119.553 119.800 0.069 0.000 2.373 647 Q HA 0.074 4.414 4.340 -0.000 0.000 0.206 647 Q C 0.656 176.744 176.000 0.146 0.000 0.942 647 Q CA 0.828 56.740 55.803 0.183 0.000 0.953 647 Q CB 0.031 29.009 28.738 0.400 0.000 1.022 647 Q HN 0.609 nan 8.270 nan 0.000 0.502 648 G N 1.594 110.445 108.800 0.084 0.000 2.147 648 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 648 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 648 G C 0.076 175.008 174.900 0.054 0.000 1.005 648 G CA 0.030 45.169 45.100 0.065 0.000 0.713 648 G HN 0.442 nan 8.290 nan 0.000 0.515 649 I N 0.591 121.177 120.570 0.026 0.000 2.710 649 I HA 0.033 4.203 4.170 -0.000 0.000 0.286 649 I C 2.094 178.205 176.117 -0.010 0.000 1.181 649 I CA 0.248 61.524 61.300 -0.039 0.000 1.430 649 I CB 0.758 38.691 38.000 -0.112 0.000 1.367 649 I HN 0.077 nan 8.210 nan 0.000 0.577 650 L N 3.918 125.136 121.223 -0.008 0.000 2.068 650 L HA -0.034 4.306 4.340 -0.000 0.000 0.204 650 L C 0.727 177.602 176.870 0.008 0.000 1.076 650 L CA 1.093 55.938 54.840 0.008 0.000 0.753 650 L CB -0.270 41.798 42.059 0.015 0.000 0.910 650 L HN 0.589 nan 8.230 nan 0.000 0.439 651 D N -0.244 120.154 120.400 -0.003 0.000 2.462 651 D HA 0.193 4.833 4.640 -0.000 0.000 0.249 651 D C -1.915 174.385 176.300 0.001 0.000 1.117 651 D CA -2.036 51.968 54.000 0.006 0.000 0.900 651 D CB 1.205 42.008 40.800 0.005 0.000 1.039 651 D HN -0.095 nan 8.370 nan 0.000 0.516 652 P HA 0.044 nan 4.420 nan 0.000 0.233 652 P C -0.092 177.248 177.300 0.067 0.000 1.167 652 P CA 0.161 63.271 63.100 0.017 0.000 0.770 652 P CB 0.195 31.912 31.700 0.027 0.000 0.837 653 R N 1.044 121.605 120.500 0.100 0.000 2.585 653 R HA 0.115 4.455 4.340 -0.000 0.000 0.275 653 R C -2.078 174.259 176.300 0.062 0.000 1.018 653 R CA -1.044 55.134 56.100 0.129 0.000 1.072 653 R CB -0.815 29.508 30.300 0.037 0.000 0.953 653 R HN 0.127 nan 8.270 nan 0.000 0.419 654 P HA 0.061 nan 4.420 nan 0.000 0.279 654 P C -0.712 176.593 177.300 0.009 0.000 1.239 654 P CA -0.323 62.794 63.100 0.029 0.000 0.789 654 P CB 0.884 32.608 31.700 0.040 0.000 0.933 655 T N 3.574 118.132 114.554 0.007 0.000 2.829 655 T HA 0.168 4.518 4.350 -0.000 0.000 0.293 655 T C 0.403 175.114 174.700 0.019 0.000 0.970 655 T CA 0.694 62.802 62.100 0.012 0.000 1.168 655 T CB -0.670 68.210 68.868 0.021 0.000 0.911 655 T HN 0.197 nan 8.240 nan 0.000 0.535 656 I N 5.307 125.884 120.570 0.012 0.000 2.418 656 I HA 0.468 4.638 4.170 -0.000 0.000 0.287 656 I C 0.196 176.325 176.117 0.019 0.000 1.008 656 I CA -0.893 60.415 61.300 0.013 0.000 1.104 656 I CB 1.318 39.316 38.000 -0.004 0.000 1.264 656 I HN 0.584 nan 8.210 nan 0.000 0.438 657 I N 2.941 123.531 120.570 0.033 0.000 2.707 657 I HA 0.583 4.753 4.170 -0.000 0.000 0.309 657 I C -0.497 175.624 176.117 0.005 0.000 1.001 657 I CA -0.856 60.469 61.300 0.042 0.000 1.129 657 I CB 1.261 39.325 38.000 0.105 0.000 1.308 657 I HN 0.270 nan 8.210 nan 0.000 0.466 658 K N 3.192 123.588 120.400 -0.006 0.000 2.205 658 K HA 0.761 5.080 4.320 -0.000 0.000 0.279 658 K C -0.694 175.856 176.600 -0.083 0.000 1.027 658 K CA -0.472 55.789 56.287 -0.043 0.000 0.932 658 K CB 1.718 34.191 32.500 -0.044 0.000 1.032 658 K HN 0.899 nan 8.250 nan 0.000 0.466 659 A N 3.237 125.992 122.820 -0.109 0.000 2.572 659 A HA 0.532 4.852 4.320 -0.000 0.000 0.295 659 A C -0.846 176.655 177.584 -0.138 0.000 1.072 659 A CA -0.886 51.049 52.037 -0.170 0.000 0.691 659 A CB 1.219 20.113 19.000 -0.178 0.000 1.291 659 A HN 0.677 nan 8.150 nan 0.000 0.404 660 R N 0.871 121.253 120.500 -0.198 0.000 2.390 660 R HA 0.424 4.764 4.340 -0.000 0.000 0.291 660 R C -0.538 175.869 176.300 0.177 0.000 1.070 660 R CA -0.380 55.667 56.100 -0.087 0.000 1.014 660 R CB 0.777 30.826 30.300 -0.420 0.000 1.007 660 R HN 0.664 nan 8.270 nan 0.000 0.466 661 L N 1.136 122.465 121.223 0.176 0.000 2.461 661 L HA -0.025 4.315 4.340 -0.000 0.000 0.272 661 L C 1.022 178.017 176.870 0.208 0.000 1.197 661 L CA 0.626 55.554 54.840 0.146 0.000 0.836 661 L CB 1.168 43.259 42.059 0.053 0.000 1.105 661 L HN 0.710 nan 8.230 nan 0.000 0.477 662 S N 0.135 115.879 115.700 0.072 0.000 2.523 662 S HA 0.216 4.686 4.470 -0.000 0.000 0.217 662 S C -0.408 174.125 174.600 -0.111 0.000 0.996 662 S CA -0.368 57.787 58.200 -0.075 0.000 0.921 662 S CB 0.119 63.268 63.200 -0.085 0.000 0.829 662 S HN 0.636 nan 8.310 nan 0.000 0.495 663 C N 1.389 120.649 119.300 -0.068 0.000 3.170 663 C HA 0.443 4.903 4.460 -0.000 0.000 0.319 663 C C -1.276 173.664 174.990 -0.084 0.000 1.260 663 C CA -1.327 57.642 59.018 -0.081 0.000 1.374 663 C CB 1.680 29.368 27.740 -0.086 0.000 1.739 663 C HN 0.307 nan 8.230 nan 0.000 0.479 664 D N 1.417 121.756 120.400 -0.101 0.000 2.382 664 D HA 0.433 5.073 4.640 -0.000 0.000 0.245 664 D C -0.170 176.032 176.300 -0.163 0.000 1.120 664 D CA 0.383 54.287 54.000 -0.160 0.000 0.890 664 D CB 0.854 41.525 40.800 -0.216 0.000 1.201 664 D HN 0.487 nan 8.370 nan 0.000 0.433 665 V N -0.852 118.953 119.914 -0.181 0.000 2.709 665 V HA 0.443 4.563 4.120 -0.000 0.000 0.308 665 V C -0.321 175.683 176.094 -0.151 0.000 1.062 665 V CA -1.173 61.025 62.300 -0.170 0.000 0.901 665 V CB 1.899 33.608 31.823 -0.190 0.000 1.003 665 V HN 0.354 nan 8.190 nan 0.000 0.425 666 K N 3.495 123.820 120.400 -0.126 0.000 2.316 666 K HA 0.489 4.809 4.320 -0.000 0.000 0.289 666 K C -0.780 175.773 176.600 -0.079 0.000 1.070 666 K CA -0.611 55.622 56.287 -0.090 0.000 0.928 666 K CB 0.862 33.323 32.500 -0.066 0.000 1.039 666 K HN 0.728 nan 8.250 nan 0.000 0.480 667 L N 3.750 124.934 121.223 -0.065 0.000 2.439 667 L HA 0.103 4.443 4.340 -0.000 0.000 0.269 667 L C 0.145 176.988 176.870 -0.045 0.000 1.179 667 L CA 0.598 55.402 54.840 -0.060 0.000 0.828 667 L CB 0.944 42.977 42.059 -0.042 0.000 1.106 667 L HN 0.678 nan 8.230 nan 0.000 0.467 668 D N 2.810 123.176 120.400 -0.057 0.000 2.228 668 D HA 0.355 4.995 4.640 -0.000 0.000 0.247 668 D C -1.554 174.705 176.300 -0.068 0.000 0.995 668 D CA -1.362 52.610 54.000 -0.047 0.000 0.903 668 D CB 1.707 42.479 40.800 -0.046 0.000 1.205 668 D HN 0.248 nan 8.370 nan 0.000 0.459 669 P HA -0.161 nan 4.420 nan 0.000 0.216 669 P C -0.178 176.995 177.300 -0.211 0.000 1.150 669 P CA 1.266 64.351 63.100 -0.026 0.000 0.843 669 P CB 0.007 31.756 31.700 0.082 0.000 0.787 670 R N -0.322 119.986 120.500 -0.320 0.000 2.598 670 R HA 0.569 4.909 4.340 -0.000 0.000 0.279 670 R C -2.857 173.207 176.300 -0.394 0.000 0.984 670 R CA -2.870 52.822 56.100 -0.679 0.000 0.999 670 R CB -0.550 29.400 30.300 -0.584 0.000 1.114 670 R HN -0.119 nan 8.270 nan 0.000 0.493 671 P HA 0.017 nan 4.420 nan 0.000 0.267 671 P C -0.843 176.229 177.300 -0.380 0.000 1.209 671 P CA 0.317 63.207 63.100 -0.351 0.000 0.763 671 P CB 0.548 32.064 31.700 -0.307 0.000 0.816 672 E N 2.393 122.359 120.200 -0.390 0.000 2.242 672 E HA 0.316 4.666 4.350 -0.000 0.000 0.275 672 E C -0.874 175.446 176.600 -0.467 0.000 1.002 672 E CA -0.506 55.743 56.400 -0.251 0.000 0.841 672 E CB 0.939 30.643 29.700 0.007 0.000 1.109 672 E HN 0.415 nan 8.360 nan 0.000 0.394 673 Y N 0.720 121.017 120.300 -0.006 0.000 2.329 673 Y HA 0.274 4.824 4.550 -0.000 0.000 0.328 673 Y C -0.669 175.154 175.900 -0.128 0.000 0.992 673 Y CA -0.816 57.267 58.100 -0.028 0.000 1.151 673 Y CB 1.312 39.724 38.460 -0.079 0.000 1.150 673 Y HN 0.499 nan 8.280 nan 0.000 0.450 674 H N 1.591 120.708 119.070 0.079 0.000 2.589 674 H HA 0.444 5.000 4.556 -0.000 0.000 0.335 674 H C -0.374 174.975 175.328 0.035 0.000 1.019 674 H CA -1.104 54.967 56.048 0.039 0.000 1.213 674 H CB 1.137 30.900 29.762 0.002 0.000 1.472 674 H HN 0.531 nan 8.280 nan 0.000 0.508 675 R N 1.798 122.351 120.500 0.089 0.000 2.583 675 R HA 0.169 4.509 4.340 -0.000 0.000 0.274 675 R C -0.363 175.983 176.300 0.077 0.000 0.998 675 R CA 0.611 56.748 56.100 0.063 0.000 1.081 675 R CB -0.083 30.237 30.300 0.032 0.000 0.940 675 R HN 0.779 nan 8.270 nan 0.000 0.413 676 C N 1.091 120.423 119.300 0.053 0.000 3.323 676 C HA 0.711 5.171 4.460 -0.000 0.000 0.324 676 C C -0.778 174.227 174.990 0.026 0.000 1.428 676 C CA -1.221 57.820 59.018 0.039 0.000 1.368 676 C CB 0.803 28.563 27.740 0.034 0.000 1.731 676 C HN 0.732 nan 8.230 nan 0.000 0.455 677 I N 1.757 122.337 120.570 0.016 0.000 2.411 677 I HA 0.399 4.569 4.170 -0.000 0.000 0.284 677 I C -0.463 175.646 176.117 -0.013 0.000 1.012 677 I CA -0.343 60.966 61.300 0.014 0.000 1.119 677 I CB 1.313 39.326 38.000 0.020 0.000 1.261 677 I HN 0.536 nan 8.210 nan 0.000 0.448 678 L N 6.413 127.613 121.223 -0.038 0.000 2.367 678 L HA 0.424 4.764 4.340 -0.000 0.000 0.275 678 L C -0.112 176.655 176.870 -0.171 0.000 1.129 678 L CA 0.126 54.848 54.840 -0.196 0.000 0.839 678 L CB 0.776 42.677 42.059 -0.265 0.000 1.133 678 L HN 0.649 nan 8.230 nan 0.000 0.453 679 T N -0.936 113.443 114.554 -0.291 0.000 3.031 679 T HA 0.254 4.604 4.350 -0.000 0.000 0.305 679 T C -0.783 173.820 174.700 -0.162 0.000 0.985 679 T CA -0.607 61.439 62.100 -0.091 0.000 1.008 679 T CB 0.665 69.507 68.868 -0.044 0.000 1.005 679 T HN 0.383 nan 8.240 nan 0.000 0.444 680 W N 4.079 125.379 121.300 -0.001 0.000 2.247 680 W HA 0.160 4.820 4.660 -0.000 0.000 0.394 680 W C 0.286 176.850 176.519 0.076 0.000 0.939 680 W CA -0.441 56.916 57.345 0.019 0.000 1.548 680 W CB 0.081 29.543 29.460 0.003 0.000 1.610 680 W HN 0.665 nan 8.180 nan 0.000 0.336 681 H N 3.054 122.272 119.070 0.247 0.000 3.017 681 H HA -0.023 4.533 4.556 -0.000 0.000 0.276 681 H C 0.345 175.855 175.328 0.303 0.000 1.062 681 H CA 0.503 56.719 56.048 0.281 0.000 1.486 681 H CB 0.215 30.169 29.762 0.320 0.000 1.507 681 H HN 0.230 nan 8.280 nan 0.000 0.508 682 H N 3.752 122.983 119.070 0.268 0.000 1.682 682 H HA -0.261 4.295 4.556 -0.000 0.000 0.294 682 H C 1.047 176.458 175.328 0.139 0.000 0.712 682 H CA 1.213 57.370 56.048 0.181 0.000 1.049 682 H CB -0.573 29.294 29.762 0.176 0.000 1.389 682 H HN 0.801 nan 8.280 nan 0.000 0.232 683 Q N -1.555 118.348 119.800 0.171 0.000 2.324 683 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 683 Q C 0.141 176.195 176.000 0.091 0.000 0.645 683 Q CA 1.898 57.761 55.803 0.101 0.000 1.377 683 Q CB -0.467 28.321 28.738 0.083 0.000 1.486 683 Q HN 0.700 nan 8.270 nan 0.000 0.796 684 E N -0.533 119.732 120.200 0.110 0.000 2.299 684 E HA 0.282 4.632 4.350 -0.000 0.000 0.260 684 E C -1.549 175.078 176.600 0.045 0.000 0.944 684 E CA -1.441 54.995 56.400 0.060 0.000 0.815 684 E CB 1.007 30.734 29.700 0.045 0.000 1.252 684 E HN -0.055 nan 8.360 nan 0.000 0.418 685 P HA 0.155 nan 4.420 nan 0.000 0.218 685 P C 0.486 177.792 177.300 0.010 0.000 1.151 685 P CA 0.557 63.666 63.100 0.015 0.000 0.850 685 P CB 0.794 32.487 31.700 -0.012 0.000 0.801 686 L N 1.313 122.459 121.223 -0.129 0.000 2.360 686 L HA 0.439 4.779 4.340 -0.000 0.000 0.271 686 L C -2.319 174.289 176.870 -0.437 0.000 1.057 686 L CA -2.320 52.384 54.840 -0.227 0.000 0.803 686 L CB 1.366 43.252 42.059 -0.288 0.000 1.207 686 L HN -0.124 nan 8.230 nan 0.000 0.445 687 P HA 0.142 nan 4.420 nan 0.000 0.288 687 P C -1.450 175.498 177.300 -0.587 0.000 1.267 687 P CA -0.543 62.015 63.100 -0.902 0.000 0.815 687 P CB 0.531 31.209 31.700 -1.703 0.000 0.989 688 W N 1.529 122.659 121.300 -0.283 0.000 2.272 688 W HA 0.526 5.186 4.660 -0.000 0.000 0.318 688 W C 0.190 176.592 176.519 -0.196 0.000 1.255 688 W CA -0.641 56.609 57.345 -0.160 0.000 1.200 688 W CB 1.016 30.457 29.460 -0.032 0.000 1.170 688 W HN 0.331 nan 8.180 nan 0.000 0.549 689 A N 3.893 126.800 122.820 0.145 0.000 2.328 689 A HA 0.354 4.674 4.320 -0.000 0.000 0.318 689 A C -0.545 177.068 177.584 0.048 0.000 1.347 689 A CA -0.751 51.307 52.037 0.034 0.000 0.842 689 A CB 0.473 19.464 19.000 -0.015 0.000 1.148 689 A HN 0.587 nan 8.150 nan 0.000 0.499 690 Q N 1.332 121.149 119.800 0.028 0.000 2.296 690 Q HA 0.222 4.562 4.340 -0.000 0.000 0.257 690 Q C -0.179 175.820 176.000 -0.000 0.000 0.942 690 Q CA -0.080 55.724 55.803 0.000 0.000 0.939 690 Q CB 1.734 30.466 28.738 -0.009 0.000 1.198 690 Q HN 0.636 nan 8.270 nan 0.000 0.429 691 S N 1.809 117.502 115.700 -0.012 0.000 2.405 691 S HA 0.036 4.506 4.470 -0.000 0.000 0.291 691 S C 1.085 175.691 174.600 0.011 0.000 1.137 691 S CA -0.124 58.077 58.200 0.001 0.000 1.061 691 S CB 0.356 63.536 63.200 -0.032 0.000 1.001 691 S HN 0.636 nan 8.310 nan 0.000 0.507 692 T N 4.547 119.118 114.554 0.028 0.000 3.160 692 T HA 0.189 4.539 4.350 -0.000 0.000 0.257 692 T C 1.490 176.221 174.700 0.051 0.000 1.147 692 T CA 1.113 63.230 62.100 0.029 0.000 1.064 692 T CB -1.061 67.822 68.868 0.024 0.000 0.949 692 T HN 0.966 nan 8.240 nan 0.000 0.526 693 G N 1.865 110.721 108.800 0.093 0.000 2.668 693 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.429 693 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.429 693 G C 0.130 175.107 174.900 0.128 0.000 1.182 693 G CA 0.892 46.105 45.100 0.188 0.000 0.911 693 G HN 0.718 nan 8.290 nan 0.000 0.631 694 N N -1.350 117.422 118.700 0.119 0.000 2.493 694 N HA 0.606 5.346 4.740 -0.000 0.000 0.279 694 N C 0.334 175.875 175.510 0.051 0.000 1.082 694 N CA 1.112 54.202 53.050 0.065 0.000 0.963 694 N CB 1.358 39.874 38.487 0.048 0.000 1.627 694 N HN 1.133 nan 8.380 nan 0.000 0.499 695 Q N 1.097 120.916 119.800 0.031 0.000 2.299 695 Q HA 0.449 4.789 4.340 -0.000 0.000 0.170 695 Q C 1.198 177.207 176.000 0.015 0.000 0.664 695 Q CA 1.228 57.044 55.803 0.021 0.000 0.895 695 Q CB -0.456 28.291 28.738 0.014 0.000 1.203 695 Q HN 0.675 nan 8.270 nan 0.000 0.382 696 M N -1.111 118.497 119.600 0.013 0.000 2.195 696 M HA 0.775 5.255 4.480 -0.000 0.000 0.243 696 M C 1.781 178.086 176.300 0.009 0.000 1.313 696 M CA 1.973 57.279 55.300 0.009 0.000 1.077 696 M CB -0.193 32.411 32.600 0.007 0.000 1.664 696 M HN 2.456 nan 8.290 nan 0.000 0.584 701 M N 2.704 122.304 119.600 -0.000 0.000 3.183 701 M HA 0.341 4.821 4.480 -0.000 0.000 0.266 701 M C 1.274 177.576 176.300 0.002 0.000 1.649 701 M CA 1.046 56.347 55.300 0.001 0.000 1.654 701 M CB -0.200 32.400 32.600 -0.000 0.000 1.479 701 M HN 0.852 nan 8.290 nan 0.000 0.499 702 S N 2.708 118.411 115.700 0.005 0.000 2.640 702 S HA 0.431 4.901 4.470 -0.000 0.000 0.262 702 S C 1.041 175.645 174.600 0.008 0.000 1.232 702 S CA -0.282 57.922 58.200 0.007 0.000 0.988 702 S CB 0.676 63.883 63.200 0.011 0.000 1.034 702 S HN 0.663 nan 8.310 nan 0.000 0.569 703 M N -0.484 119.122 119.600 0.010 0.000 2.449 703 M HA 0.239 4.719 4.480 -0.000 0.000 0.262 703 M C -0.027 176.280 176.300 0.012 0.000 1.152 703 M CA 0.454 55.760 55.300 0.010 0.000 1.104 703 M CB 0.055 32.662 32.600 0.011 0.000 1.416 703 M HN 0.416 nan 8.290 nan 0.000 0.519 704 R N 0.662 121.171 120.500 0.016 0.000 2.460 704 R HA 0.394 4.734 4.340 -0.000 0.000 0.303 704 R C -0.369 175.943 176.300 0.019 0.000 0.968 704 R CA -0.241 55.871 56.100 0.020 0.000 0.889 704 R CB 1.535 31.852 30.300 0.028 0.000 1.123 704 R HN -0.005 nan 8.270 nan 0.000 0.455 705 S N 1.413 117.124 115.700 0.018 0.000 2.564 705 S HA 0.322 4.792 4.470 -0.000 0.000 0.278 705 S C 0.050 174.663 174.600 0.022 0.000 1.333 705 S CA -0.454 57.755 58.200 0.015 0.000 1.048 705 S CB 0.541 63.746 63.200 0.008 0.000 0.900 705 S HN 0.635 nan 8.310 nan 0.000 0.505 706 A N 4.750 127.582 122.820 0.020 0.000 2.581 706 A HA -0.061 4.259 4.320 -0.000 0.000 0.257 706 A C 1.295 178.899 177.584 0.033 0.000 1.022 706 A CA 0.208 52.260 52.037 0.025 0.000 0.812 706 A CB -0.429 18.584 19.000 0.021 0.000 0.918 706 A HN 0.952 nan 8.150 nan 0.000 0.516 707 N N 1.844 120.571 118.700 0.044 0.000 2.173 707 N HA 0.066 4.806 4.740 -0.000 0.000 0.184 707 N C 0.860 176.407 175.510 0.062 0.000 1.025 707 N CA 1.648 54.738 53.050 0.065 0.000 0.852 707 N CB 0.029 38.571 38.487 0.092 0.000 0.998 707 N HN 0.865 nan 8.380 nan 0.000 0.427 708 G N -0.818 108.011 108.800 0.049 0.000 2.725 708 G HA2 0.581 4.541 3.960 -0.000 0.000 0.288 708 G HA3 0.581 4.541 3.960 -0.000 0.000 0.288 708 G C -1.494 173.431 174.900 0.041 0.000 1.399 708 G CA -0.629 44.499 45.100 0.045 0.000 0.859 708 G HN 0.214 nan 8.290 nan 0.000 0.479 709 L N -0.772 120.478 121.223 0.046 0.000 2.341 709 L HA 0.826 5.166 4.340 -0.000 0.000 0.278 709 L C -1.066 175.865 176.870 0.102 0.000 1.005 709 L CA -1.138 53.743 54.840 0.069 0.000 0.818 709 L CB 1.858 43.949 42.059 0.054 0.000 1.259 709 L HN 0.391 nan 8.230 nan 0.000 0.418 710 L N 4.811 126.101 121.223 0.112 0.000 2.360 710 L HA 0.361 4.701 4.340 -0.000 0.000 0.276 710 L C 0.066 176.984 176.870 0.081 0.000 1.121 710 L CA 0.224 55.112 54.840 0.080 0.000 0.845 710 L CB 0.885 42.980 42.059 0.060 0.000 1.143 710 L HN 0.744 nan 8.230 nan 0.000 0.452 711 M N 7.239 126.854 119.600 0.025 0.000 3.028 711 M HA 0.297 4.777 4.480 -0.000 0.000 0.296 711 M C -0.648 175.543 176.300 -0.182 0.000 1.314 711 M CA -0.255 55.002 55.300 -0.071 0.000 1.383 711 M CB -0.139 32.488 32.600 0.045 0.000 1.128 711 M HN 0.362 nan 8.290 nan 0.000 0.544 712 L N 4.227 125.304 121.223 -0.243 0.000 2.426 712 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 712 L C -1.910 174.807 176.870 -0.254 0.000 1.169 712 L CA -1.723 52.992 54.840 -0.207 0.000 0.836 712 L CB -0.008 41.953 42.059 -0.165 0.000 1.112 712 L HN 0.262 nan 8.230 nan 0.000 0.465 713 P HA 0.357 nan 4.420 nan 0.000 0.280 713 P C -2.733 174.477 177.300 -0.151 0.000 1.272 713 P CA -2.179 60.823 63.100 -0.163 0.000 0.819 713 P CB 0.170 31.798 31.700 -0.121 0.000 1.122 714 P HA 0.096 nan 4.420 nan 0.000 0.271 714 P C -0.264 177.002 177.300 -0.056 0.000 1.218 714 P CA -0.166 62.857 63.100 -0.129 0.000 0.780 714 P CB 0.352 31.969 31.700 -0.139 0.000 0.901 715 K N 1.426 121.802 120.400 -0.040 0.000 2.412 715 K HA 0.273 4.593 4.320 -0.000 0.000 0.281 715 K C -0.351 176.266 176.600 0.028 0.000 1.027 715 K CA -0.102 56.188 56.287 0.005 0.000 0.989 715 K CB -0.272 32.230 32.500 0.002 0.000 0.935 715 K HN 0.297 nan 8.250 nan 0.000 0.475 716 T N 2.770 117.359 114.554 0.058 0.000 2.938 716 T HA 0.108 4.458 4.350 -0.000 0.000 0.285 716 T C 0.458 175.171 174.700 0.023 0.000 1.028 716 T CA -0.794 61.339 62.100 0.054 0.000 1.005 716 T CB 1.360 70.285 68.868 0.096 0.000 1.157 716 T HN 0.593 nan 8.240 nan 0.000 0.550 717 E N 0.113 120.315 120.200 0.003 0.000 2.472 717 E HA -0.045 4.305 4.350 -0.000 0.000 0.200 717 E C 1.413 177.971 176.600 -0.070 0.000 1.046 717 E CA 1.024 57.411 56.400 -0.023 0.000 0.871 717 E CB -0.045 29.644 29.700 -0.019 0.000 0.806 717 E HN 0.420 nan 8.360 nan 0.000 0.533 718 Q N -1.050 118.679 119.800 -0.119 0.000 2.490 718 Q HA 0.184 4.524 4.340 -0.000 0.000 0.190 718 Q C -0.322 175.514 176.000 -0.273 0.000 0.969 718 Q CA 0.360 55.982 55.803 -0.302 0.000 0.844 718 Q CB -0.060 28.324 28.738 -0.589 0.000 1.050 718 Q HN 0.257 nan 8.270 nan 0.000 0.601 719 Y N 0.599 120.900 120.300 0.003 0.000 2.359 719 Y HA 0.273 4.823 4.550 -0.000 0.000 0.334 719 Y C 0.538 176.434 175.900 -0.007 0.000 1.058 719 Y CA -0.582 57.521 58.100 0.005 0.000 1.244 719 Y CB 0.652 39.113 38.460 0.002 0.000 1.187 719 Y HN -0.084 nan 8.280 nan 0.000 0.510 720 V N 0.642 120.632 119.914 0.126 0.000 3.398 720 V HA 0.208 4.328 4.120 -0.000 0.000 0.298 720 V C -0.058 176.050 176.094 0.023 0.000 1.496 720 V CA -0.238 62.096 62.300 0.056 0.000 1.044 720 V CB 0.368 32.208 31.823 0.028 0.000 0.880 720 V HN 0.800 nan 8.190 nan 0.000 0.443 721 E N 1.108 121.329 120.200 0.036 0.000 2.367 721 E HA 0.397 4.747 4.350 -0.000 0.000 0.292 721 E C -1.533 175.026 176.600 -0.068 0.000 0.900 721 E CA -0.335 56.031 56.400 -0.057 0.000 0.807 721 E CB 1.988 31.625 29.700 -0.105 0.000 1.337 721 E HN 0.268 nan 8.360 nan 0.000 0.394 722 L N 4.189 125.355 121.223 -0.095 0.000 2.349 722 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 722 L C 0.377 177.166 176.870 -0.136 0.000 1.115 722 L CA -0.294 54.511 54.840 -0.058 0.000 0.820 722 L CB 0.613 42.632 42.059 -0.068 0.000 1.135 722 L HN 0.411 nan 8.230 nan 0.000 0.445 723 H N 2.692 121.759 119.070 -0.005 0.000 2.533 723 H HA 0.178 4.734 4.556 -0.000 0.000 0.343 723 H C -0.389 174.945 175.328 0.011 0.000 1.160 723 H CA -0.860 55.188 56.048 0.001 0.000 1.218 723 H CB 1.849 31.619 29.762 0.012 0.000 1.566 723 H HN 0.450 nan 8.280 nan 0.000 0.522 724 K N 0.882 121.354 120.400 0.121 0.000 2.473 724 K HA -0.061 4.259 4.320 -0.000 0.000 0.277 724 K C 0.713 177.408 176.600 0.158 0.000 1.052 724 K CA 1.202 57.543 56.287 0.090 0.000 1.114 724 K CB -0.148 32.359 32.500 0.012 0.000 0.869 724 K HN 0.993 nan 8.250 nan 0.000 0.481 725 G N 3.283 112.235 108.800 0.254 0.000 2.339 725 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.209 725 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.209 725 G C -0.232 174.748 174.900 0.134 0.000 1.015 725 G CA -0.221 45.050 45.100 0.286 0.000 0.635 725 G HN 0.664 nan 8.290 nan 0.000 0.499 726 E N 0.413 120.671 120.200 0.096 0.000 2.398 726 E HA 0.391 4.741 4.350 -0.000 0.000 0.263 726 E C -0.113 176.483 176.600 -0.008 0.000 1.046 726 E CA -0.018 56.400 56.400 0.029 0.000 0.908 726 E CB 1.720 31.434 29.700 0.024 0.000 0.963 726 E HN 0.121 nan 8.360 nan 0.000 0.431 727 V N 4.609 124.495 119.914 -0.047 0.000 2.334 727 V HA 0.127 4.247 4.120 -0.000 0.000 0.267 727 V C 0.026 176.073 176.094 -0.077 0.000 1.040 727 V CA -0.387 61.871 62.300 -0.070 0.000 0.866 727 V CB 0.734 32.508 31.823 -0.081 0.000 1.019 727 V HN 0.343 nan 8.190 nan 0.000 0.468 728 V N 2.904 122.776 119.914 -0.070 0.000 2.850 728 V HA 0.510 4.630 4.120 -0.000 0.000 0.315 728 V C -0.098 175.959 176.094 -0.061 0.000 1.064 728 V CA -1.165 61.092 62.300 -0.072 0.000 0.979 728 V CB 1.964 33.747 31.823 -0.067 0.000 1.039 728 V HN 0.638 nan 8.190 nan 0.000 0.452 729 D N 1.531 121.898 120.400 -0.056 0.000 2.389 729 D HA 0.405 5.045 4.640 -0.000 0.000 0.247 729 D C -0.605 175.685 176.300 -0.016 0.000 1.128 729 D CA 0.251 54.230 54.000 -0.035 0.000 0.884 729 D CB 1.761 42.541 40.800 -0.032 0.000 1.194 729 D HN 0.317 nan 8.370 nan 0.000 0.441 730 V N 3.301 123.213 119.914 -0.004 0.000 2.482 730 V HA 0.220 4.340 4.120 -0.000 0.000 0.295 730 V C 0.171 176.283 176.094 0.030 0.000 1.026 730 V CA -0.857 61.452 62.300 0.015 0.000 0.856 730 V CB 1.815 33.636 31.823 -0.003 0.000 1.001 730 V HN 0.487 nan 8.190 nan 0.000 0.424 731 M N 5.397 125.024 119.600 0.044 0.000 2.200 731 M HA 0.466 4.946 4.480 -0.000 0.000 0.355 731 M C -0.671 175.652 176.300 0.038 0.000 1.283 731 M CA -0.055 55.266 55.300 0.035 0.000 1.124 731 M CB 1.102 33.716 32.600 0.025 0.000 1.625 731 M HN 0.499 nan 8.290 nan 0.000 0.463 732 V N 7.445 127.385 119.914 0.044 0.000 2.614 732 V HA 0.124 4.244 4.120 -0.000 0.000 0.291 732 V C 0.861 176.983 176.094 0.046 0.000 1.049 732 V CA 0.052 62.387 62.300 0.058 0.000 1.038 732 V CB 0.865 32.732 31.823 0.073 0.000 0.980 732 V HN 0.970 nan 8.190 nan 0.000 0.481 733 I N 0.584 121.187 120.570 0.055 0.000 4.160 733 I HA 0.742 4.912 4.170 -0.000 0.000 0.325 733 I C 0.410 176.572 176.117 0.075 0.000 1.455 733 I CA -0.092 61.244 61.300 0.059 0.000 1.142 733 I CB 0.766 38.785 38.000 0.033 0.000 1.262 733 I HN 0.661 nan 8.210 nan 0.000 0.483 734 G N 1.115 109.959 108.800 0.073 0.000 2.601 734 G HA2 0.388 4.348 3.960 -0.000 0.000 0.291 734 G HA3 0.388 4.348 3.960 -0.000 0.000 0.291 734 G C -1.186 173.753 174.900 0.064 0.000 1.456 734 G CA -1.155 43.985 45.100 0.067 0.000 0.804 734 G HN 0.152 nan 8.290 nan 0.000 0.499 735 R N -0.032 120.497 120.500 0.049 0.000 2.770 735 R HA 0.278 4.618 4.340 -0.000 0.000 0.361 735 R C 1.218 177.549 176.300 0.052 0.000 0.860 735 R CA 0.377 56.500 56.100 0.037 0.000 1.071 735 R CB -0.835 29.477 30.300 0.021 0.000 0.907 735 R HN 0.694 nan 8.270 nan 0.000 0.403 736 L N 0.000 121.263 121.223 0.066 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 736 L CA 0.000 54.918 54.840 0.131 0.000 0.813 736 L CB 0.000 42.180 42.059 0.202 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502