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 2jkr_1_U DATA FIRST_RESID 1 DATA SEQUENCE MIGGLFIYNH KGEVLISRVY RDDIGRNAVD AFRVNVIHAR QQVRSPVTNI DATA SEQUENCE ARTSFFHVKR SNIWLAAVTK QNVNAAMVFE FLYKMCDVMA AYFGKISEEN DATA SEQUENCE IKNNFVLIYE LLDEILDFGY PQNSETGALK TFITQQGIKS QXXXXXXXXX DATA SEQUENCE XXXXXXXXIG WRREGIKYRR NELFLDVLES VNLLMSPQGQ VLSAHVSGRV DATA SEQUENCE VMKSYLSGMP ECKFGMNDKI VIXXXXXXXX XETSKSGKQS IAIDDCTFHQ DATA SEQUENCE CVRLSKFDSE RSISFIPPDG EFELMRYRTT KDIILPFRVI PLVREVGRTK DATA SEQUENCE LEVKVVIKSN FKPSLLAQKI EVRIPTPLNT SGVQVICMKG KAKYKASENA DATA SEQUENCE IVWKIKRMAG MKESQISAEI ELLPTNDKKK WARPPISMNF EVPFAPSGLK DATA SEQUENCE VRYLKVFEPK LNYSDHDVIK WVRYIGRSGI YETRC 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.143 176.300 -0.262 0.000 1.140 1 M CA 0.000 55.171 55.300 -0.215 0.000 0.988 1 M CB 0.000 32.436 32.600 -0.273 0.000 1.302 2 I N 2.259 122.616 120.570 -0.354 0.000 2.664 2 I HA 0.033 4.203 4.170 -0.000 0.000 0.284 2 I C 1.073 177.003 176.117 -0.310 0.000 1.154 2 I CA 0.590 61.650 61.300 -0.399 0.000 1.402 2 I CB 0.282 37.926 38.000 -0.594 0.000 1.395 2 I HN 0.843 nan 8.210 nan 0.000 0.545 3 G N 5.109 113.776 108.800 -0.221 0.000 2.545 3 G HA2 0.264 4.224 3.960 -0.000 0.000 0.212 3 G HA3 0.264 4.224 3.960 -0.000 0.000 0.212 3 G C 0.580 175.433 174.900 -0.077 0.000 1.144 3 G CA 0.376 45.390 45.100 -0.144 0.000 0.813 3 G HN 0.729 nan 8.290 nan 0.000 0.531 4 G N -0.726 107.966 108.800 -0.179 0.000 2.659 4 G HA2 0.529 4.489 3.960 -0.000 0.000 0.296 4 G HA3 0.529 4.489 3.960 -0.000 0.000 0.296 4 G C -2.248 172.326 174.900 -0.542 0.000 1.369 4 G CA -0.462 44.390 45.100 -0.413 0.000 0.937 4 G HN 0.212 nan 8.290 nan 0.000 0.485 5 L N 1.007 121.786 121.223 -0.740 0.000 2.441 5 L HA 0.790 5.130 4.340 -0.000 0.000 0.270 5 L C -1.756 174.767 176.870 -0.579 0.000 0.973 5 L CA -1.324 53.253 54.840 -0.437 0.000 0.842 5 L CB 1.187 43.228 42.059 -0.031 0.000 1.239 5 L HN 0.375 nan 8.230 nan 0.000 0.406 6 F N 5.390 125.348 119.950 0.013 0.000 2.529 6 F HA 0.623 5.150 4.527 -0.000 0.000 0.320 6 F C -0.035 175.699 175.800 -0.110 0.000 1.118 6 F CA -0.906 57.032 58.000 -0.104 0.000 0.915 6 F CB 1.829 40.754 39.000 -0.125 0.000 1.161 6 F HN 0.149 nan 8.300 nan 0.000 0.445 7 I N 4.178 124.742 120.570 -0.010 0.000 2.418 7 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 7 I C -1.297 174.813 176.117 -0.012 0.000 1.008 7 I CA -0.864 60.480 61.300 0.072 0.000 1.104 7 I CB 1.422 39.478 38.000 0.092 0.000 1.264 7 I HN 0.450 nan 8.210 nan 0.000 0.438 8 Y N 4.079 124.562 120.300 0.303 0.000 2.487 8 Y HA 0.373 4.923 4.550 -0.000 0.000 0.337 8 Y C 0.615 176.701 175.900 0.311 0.000 1.076 8 Y CA -1.207 57.060 58.100 0.279 0.000 1.115 8 Y CB 0.939 39.550 38.460 0.252 0.000 1.235 8 Y HN 0.561 nan 8.280 nan 0.000 0.468 9 N N -0.164 118.784 118.700 0.414 0.000 2.364 9 N HA 0.053 4.793 4.740 -0.000 0.000 0.264 9 N C 0.795 176.543 175.510 0.396 0.000 1.263 9 N CA -0.177 53.087 53.050 0.356 0.000 0.959 9 N CB 0.685 39.340 38.487 0.280 0.000 1.204 9 N HN 0.990 nan 8.380 nan 0.000 0.550 10 H N -0.595 118.622 119.070 0.244 0.000 2.357 10 H HA -0.132 4.424 4.556 -0.000 0.000 0.296 10 H C 1.349 176.819 175.328 0.237 0.000 1.108 10 H CA 1.508 57.700 56.048 0.240 0.000 1.273 10 H CB -0.083 29.756 29.762 0.129 0.000 1.367 10 H HN 0.527 nan 8.280 nan 0.000 0.498 11 K N 0.045 120.125 120.400 -0.534 0.000 2.280 11 K HA -0.036 4.283 4.320 -0.000 0.000 0.202 11 K C 1.227 177.806 176.600 -0.035 0.000 1.047 11 K CA 0.782 56.884 56.287 -0.308 0.000 0.942 11 K CB -0.041 32.288 32.500 -0.285 0.000 0.739 11 K HN 0.726 nan 8.250 nan 0.000 0.457 12 G N 1.966 110.773 108.800 0.012 0.000 2.132 12 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.228 12 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.228 12 G C -0.582 174.448 174.900 0.218 0.000 1.000 12 G CA -0.148 44.948 45.100 -0.006 0.000 0.693 12 G HN 0.354 nan 8.290 nan 0.000 0.515 13 E N 0.075 120.404 120.200 0.214 0.000 2.283 13 E HA 0.428 4.778 4.350 -0.000 0.000 0.278 13 E C 0.420 177.166 176.600 0.244 0.000 1.027 13 E CA -0.771 55.749 56.400 0.200 0.000 0.843 13 E CB 2.218 31.995 29.700 0.129 0.000 1.062 13 E HN 0.096 nan 8.360 nan 0.000 0.401 14 V N 4.797 124.800 119.914 0.148 0.000 2.479 14 V HA -0.046 4.074 4.120 -0.000 0.000 0.281 14 V C 1.284 177.412 176.094 0.056 0.000 1.031 14 V CA 0.418 62.703 62.300 -0.025 0.000 1.038 14 V CB 0.226 31.993 31.823 -0.094 0.000 0.981 14 V HN 0.678 nan 8.190 nan 0.000 0.478 15 L N 5.205 126.466 121.223 0.063 0.000 2.269 15 L HA 0.352 4.691 4.340 -0.000 0.000 0.200 15 L C 0.410 177.389 176.870 0.181 0.000 1.069 15 L CA 0.848 55.787 54.840 0.166 0.000 0.804 15 L CB 0.183 42.336 42.059 0.158 0.000 0.987 15 L HN 0.421 nan 8.230 nan 0.000 0.468 16 I N -0.722 119.891 120.570 0.073 0.000 2.608 16 I HA 0.275 4.445 4.170 -0.000 0.000 0.295 16 I C -0.688 175.476 176.117 0.079 0.000 1.049 16 I CA -0.148 61.156 61.300 0.006 0.000 1.063 16 I CB 2.166 40.058 38.000 -0.179 0.000 1.248 16 I HN -0.109 nan 8.210 nan 0.000 0.424 17 S N 6.031 121.850 115.700 0.199 0.000 2.776 17 S HA 0.514 4.983 4.470 -0.000 0.000 0.284 17 S C -1.132 173.613 174.600 0.243 0.000 1.160 17 S CA -0.612 57.769 58.200 0.302 0.000 1.051 17 S CB 1.093 64.487 63.200 0.322 0.000 1.037 17 S HN 0.544 nan 8.310 nan 0.000 0.485 18 R N 3.756 124.261 120.500 0.007 0.000 2.473 18 R HA 0.438 4.778 4.340 -0.000 0.000 0.303 18 R C -1.356 174.720 176.300 -0.373 0.000 1.002 18 R CA -0.423 55.579 56.100 -0.162 0.000 0.884 18 R CB 1.478 31.694 30.300 -0.141 0.000 1.173 18 R HN 0.549 nan 8.270 nan 0.000 0.464 19 V N 4.507 124.218 119.914 -0.338 0.000 2.370 19 V HA 0.336 4.456 4.120 -0.000 0.000 0.279 19 V C 0.187 176.040 176.094 -0.401 0.000 1.029 19 V CA -0.529 61.614 62.300 -0.261 0.000 0.870 19 V CB 1.198 32.979 31.823 -0.070 0.000 0.984 19 V HN 0.688 nan 8.190 nan 0.000 0.451 20 Y N 2.764 122.973 120.300 -0.151 0.000 2.467 20 Y HA 0.478 5.028 4.550 -0.000 0.000 0.250 20 Y C 1.014 176.760 175.900 -0.258 0.000 1.155 20 Y CA -0.341 57.648 58.100 -0.186 0.000 1.249 20 Y CB 0.796 39.105 38.460 -0.251 0.000 1.146 20 Y HN 0.569 nan 8.280 nan 0.000 0.524 21 R N -0.284 120.161 120.500 -0.092 0.000 2.566 21 R HA 0.244 4.584 4.340 -0.000 0.000 0.271 21 R C -0.143 176.133 176.300 -0.040 0.000 1.071 21 R CA -0.315 55.715 56.100 -0.116 0.000 0.915 21 R CB 0.778 30.960 30.300 -0.197 0.000 1.228 21 R HN -0.164 nan 8.270 nan 0.000 0.449 22 D N 1.334 121.731 120.400 -0.004 0.000 2.221 22 D HA -0.151 4.489 4.640 -0.000 0.000 0.204 22 D C 0.415 176.721 176.300 0.010 0.000 0.982 22 D CA 1.440 55.446 54.000 0.011 0.000 0.857 22 D CB 0.247 41.061 40.800 0.024 0.000 0.934 22 D HN 0.566 nan 8.370 nan 0.000 0.475 23 D N 0.214 120.614 120.400 -0.001 0.000 2.239 23 D HA -0.174 4.466 4.640 -0.000 0.000 0.202 23 D C 1.869 178.180 176.300 0.017 0.000 0.993 23 D CA 0.520 54.522 54.000 0.003 0.000 0.874 23 D CB -0.012 40.779 40.800 -0.015 0.000 0.922 23 D HN 0.263 nan 8.370 nan 0.000 0.464 24 I N 0.386 120.971 120.570 0.026 0.000 2.402 24 I HA 0.118 4.288 4.170 -0.000 0.000 0.221 24 I C 1.888 178.057 176.117 0.086 0.000 1.059 24 I CA 1.461 62.802 61.300 0.067 0.000 1.371 24 I CB -1.565 36.500 38.000 0.108 0.000 1.182 24 I HN 0.251 nan 8.210 nan 0.000 0.403 25 G N 0.234 109.094 108.800 0.099 0.000 2.760 25 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 25 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 25 G C 0.601 175.545 174.900 0.072 0.000 1.359 25 G CA 0.365 45.511 45.100 0.077 0.000 0.861 25 G HN 0.495 nan 8.290 nan 0.000 0.541 26 R N 0.701 121.226 120.500 0.042 0.000 2.303 26 R HA -0.055 4.285 4.340 -0.000 0.000 0.225 26 R C 2.208 178.526 176.300 0.030 0.000 1.114 26 R CA 2.188 58.299 56.100 0.019 0.000 1.007 26 R CB -0.462 29.846 30.300 0.013 0.000 0.861 26 R HN 0.527 nan 8.270 nan 0.000 0.471 27 N N 1.017 119.752 118.700 0.057 0.000 2.014 27 N HA -0.139 4.601 4.740 -0.000 0.000 0.194 27 N C 0.088 175.680 175.510 0.136 0.000 1.083 27 N CA 1.750 54.850 53.050 0.084 0.000 0.870 27 N CB -0.933 37.609 38.487 0.093 0.000 1.061 27 N HN 0.280 nan 8.380 nan 0.000 0.427 28 A N 0.564 123.512 122.820 0.212 0.000 2.655 28 A HA 0.372 4.692 4.320 -0.000 0.000 0.297 28 A C 0.858 178.618 177.584 0.293 0.000 1.461 28 A CA 0.291 52.591 52.037 0.439 0.000 1.146 28 A CB -0.283 18.910 19.000 0.321 0.000 1.108 28 A HN 0.379 nan 8.150 nan 0.000 0.550 29 V N 0.953 120.973 119.914 0.176 0.000 3.993 29 V HA -0.046 4.074 4.120 -0.000 0.000 0.190 29 V C 1.237 177.366 176.094 0.058 0.000 1.550 29 V CA 1.210 63.468 62.300 -0.070 0.000 0.877 29 V CB -0.839 30.690 31.823 -0.490 0.000 0.951 29 V HN 0.639 nan 8.190 nan 0.000 0.548 30 D N 1.148 121.558 120.400 0.017 0.000 2.183 30 D HA 0.123 4.763 4.640 -0.000 0.000 0.203 30 D C 1.983 178.252 176.300 -0.052 0.000 0.969 30 D CA 1.864 55.861 54.000 -0.005 0.000 0.842 30 D CB 0.336 41.131 40.800 -0.010 0.000 0.957 30 D HN 0.698 nan 8.370 nan 0.000 0.484 31 A N -0.041 122.773 122.820 -0.010 0.000 1.883 31 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 31 A C 2.214 179.598 177.584 -0.333 0.000 1.186 31 A CA 1.469 53.454 52.037 -0.087 0.000 0.624 31 A CB -1.245 17.811 19.000 0.093 0.000 0.822 31 A HN 0.407 nan 8.150 nan 0.000 0.444 32 F N 0.286 119.895 119.950 -0.569 0.000 2.186 32 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 32 F C 2.326 177.746 175.800 -0.633 0.000 1.090 32 F CA 1.720 59.254 58.000 -0.777 0.000 1.307 32 F CB -0.235 38.460 39.000 -0.508 0.000 1.019 32 F HN 0.190 nan 8.300 nan 0.000 0.489 33 R N 0.065 120.268 120.500 -0.496 0.000 2.088 33 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 33 R C 1.939 177.920 176.300 -0.531 0.000 1.136 33 R CA 2.058 57.781 56.100 -0.628 0.000 0.926 33 R CB -1.026 29.134 30.300 -0.234 0.000 0.837 33 R HN 0.282 nan 8.270 nan 0.000 0.429 34 V N 1.458 121.198 119.914 -0.290 0.000 3.646 34 V HA 0.035 4.155 4.120 -0.000 0.000 0.277 34 V C 0.716 176.660 176.094 -0.249 0.000 1.274 34 V CA 0.853 63.054 62.300 -0.166 0.000 1.164 34 V CB -0.251 31.504 31.823 -0.112 0.000 0.926 34 V HN 0.380 nan 8.190 nan 0.000 0.442 35 N N -1.781 116.667 118.700 -0.420 0.000 2.380 35 N HA 0.134 4.874 4.740 -0.000 0.000 0.227 35 N C 1.227 176.445 175.510 -0.487 0.000 1.139 35 N CA 0.861 53.682 53.050 -0.382 0.000 0.843 35 N CB 1.636 39.918 38.487 -0.343 0.000 1.327 35 N HN 0.344 nan 8.380 nan 0.000 0.470 36 V N 1.279 120.702 119.914 -0.819 0.000 2.743 36 V HA 0.185 4.305 4.120 -0.000 0.000 0.237 36 V C 2.180 177.645 176.094 -1.048 0.000 1.113 36 V CA 0.375 62.125 62.300 -0.917 0.000 1.141 36 V CB 0.254 31.274 31.823 -1.338 0.000 0.873 36 V HN 0.049 nan 8.190 nan 0.000 0.486 37 I N 0.085 119.753 120.570 -1.503 0.000 2.202 37 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 37 I C 1.501 177.070 176.117 -0.914 0.000 1.091 37 I CA 1.371 61.749 61.300 -1.537 0.000 1.368 37 I CB -0.323 36.597 38.000 -1.800 0.000 1.058 37 I HN 0.396 nan 8.210 nan 0.000 0.410 38 H N 1.353 120.116 119.070 -0.511 0.000 2.655 38 H HA 0.446 5.002 4.556 -0.000 0.000 0.309 38 H C 0.432 175.613 175.328 -0.245 0.000 1.180 38 H CA -0.283 55.589 56.048 -0.294 0.000 1.087 38 H CB -0.427 29.187 29.762 -0.247 0.000 1.494 38 H HN 0.181 nan 8.280 nan 0.000 0.515 39 A N 0.746 123.444 122.820 -0.203 0.000 2.425 39 A HA 0.281 4.601 4.320 -0.000 0.000 0.242 39 A C 1.028 178.569 177.584 -0.071 0.000 1.077 39 A CA -0.016 51.932 52.037 -0.148 0.000 0.781 39 A CB 0.998 19.899 19.000 -0.164 0.000 1.020 39 A HN 0.498 nan 8.150 nan 0.000 0.494 40 R N -0.501 119.961 120.500 -0.062 0.000 2.242 40 R HA 0.128 4.468 4.340 -0.000 0.000 0.138 40 R C 1.847 178.116 176.300 -0.052 0.000 2.004 40 R CA 0.105 56.182 56.100 -0.038 0.000 1.618 40 R CB -0.252 30.027 30.300 -0.035 0.000 1.371 40 R HN 0.833 nan 8.270 nan 0.000 0.480 41 Q N 0.865 120.621 119.800 -0.075 0.000 2.378 41 Q HA -0.034 4.305 4.340 -0.000 0.000 0.205 41 Q C 0.153 176.103 176.000 -0.084 0.000 0.954 41 Q CA 0.446 56.188 55.803 -0.101 0.000 0.901 41 Q CB 0.310 28.970 28.738 -0.129 0.000 0.981 41 Q HN 0.068 nan 8.270 nan 0.000 0.483 42 Q N 1.400 121.157 119.800 -0.072 0.000 2.297 42 Q HA 0.101 4.441 4.340 -0.000 0.000 0.267 42 Q C -0.879 175.097 176.000 -0.041 0.000 1.006 42 Q CA -0.186 55.581 55.803 -0.060 0.000 0.896 42 Q CB 1.001 29.697 28.738 -0.070 0.000 1.186 42 Q HN 0.065 nan 8.270 nan 0.000 0.392 43 V N 3.132 123.031 119.914 -0.025 0.000 2.427 43 V HA 0.428 4.548 4.120 -0.000 0.000 0.268 43 V C 0.038 176.145 176.094 0.021 0.000 1.046 43 V CA -0.708 61.592 62.300 -0.000 0.000 0.970 43 V CB 0.197 32.023 31.823 0.004 0.000 1.001 43 V HN 0.747 nan 8.190 nan 0.000 0.476 44 R N 3.422 123.950 120.500 0.046 0.000 2.694 44 R HA 0.572 4.911 4.340 -0.000 0.000 0.268 44 R C 0.168 176.545 176.300 0.128 0.000 1.061 44 R CA -0.022 56.134 56.100 0.094 0.000 1.133 44 R CB 0.402 30.791 30.300 0.148 0.000 1.020 44 R HN 0.787 nan 8.270 nan 0.000 0.475 45 S N 0.875 116.677 115.700 0.170 0.000 2.595 45 S HA 0.299 4.769 4.470 -0.000 0.000 0.281 45 S C -1.958 172.741 174.600 0.165 0.000 1.117 45 S CA -1.298 56.983 58.200 0.135 0.000 0.873 45 S CB 2.078 65.330 63.200 0.086 0.000 1.108 45 S HN 0.422 nan 8.310 nan 0.000 0.477 46 P HA -0.066 nan 4.420 nan 0.000 0.215 46 P C 0.203 177.590 177.300 0.145 0.000 1.157 46 P CA 0.859 63.928 63.100 -0.051 0.000 0.874 46 P CB 0.163 31.798 31.700 -0.108 0.000 0.790 47 V N -0.800 119.205 119.914 0.151 0.000 2.495 47 V HA 0.619 4.739 4.120 -0.000 0.000 0.298 47 V C -0.954 175.164 176.094 0.040 0.000 1.031 47 V CA -0.400 61.896 62.300 -0.007 0.000 0.871 47 V CB 1.667 33.289 31.823 -0.334 0.000 0.988 47 V HN 0.132 nan 8.190 nan 0.000 0.432 48 T N 3.282 117.896 114.554 0.100 0.000 2.886 48 T HA 0.500 4.850 4.350 -0.000 0.000 0.292 48 T C -0.767 174.029 174.700 0.160 0.000 1.012 48 T CA -0.691 61.483 62.100 0.122 0.000 0.982 48 T CB 1.559 70.511 68.868 0.140 0.000 1.018 48 T HN 0.742 nan 8.240 nan 0.000 0.451 49 N N 1.950 120.715 118.700 0.110 0.000 2.399 49 N HA 0.527 5.267 4.740 -0.000 0.000 0.295 49 N C -1.217 174.382 175.510 0.147 0.000 1.048 49 N CA -0.704 52.431 53.050 0.143 0.000 0.886 49 N CB 1.074 39.602 38.487 0.068 0.000 1.185 49 N HN 0.730 nan 8.380 nan 0.000 0.487 50 I N 2.383 123.090 120.570 0.228 0.000 2.603 50 I HA 0.264 4.434 4.170 -0.000 0.000 0.276 50 I C -0.065 176.158 176.117 0.177 0.000 1.133 50 I CA -0.519 60.882 61.300 0.168 0.000 1.070 50 I CB 1.349 39.436 38.000 0.146 0.000 1.215 50 I HN 0.665 nan 8.210 nan 0.000 0.487 51 A N 4.483 127.364 122.820 0.102 0.000 2.971 51 A HA -0.171 4.149 4.320 -0.000 0.000 0.283 51 A C 0.961 178.591 177.584 0.077 0.000 1.410 51 A CA 0.575 52.661 52.037 0.082 0.000 0.735 51 A CB -1.516 17.538 19.000 0.090 0.000 1.056 51 A HN 0.953 nan 8.150 nan 0.000 0.465 52 R N -1.897 118.640 120.500 0.061 0.000 3.502 52 R HA -0.196 4.144 4.340 -0.000 0.000 0.266 52 R C -0.196 176.126 176.300 0.038 0.000 1.077 52 R CA 1.647 57.773 56.100 0.043 0.000 0.718 52 R CB -1.955 28.362 30.300 0.029 0.000 1.120 52 R HN 1.085 nan 8.270 nan 0.000 0.457 53 T N -0.618 113.974 114.554 0.064 0.000 3.050 53 T HA 0.341 4.691 4.350 -0.000 0.000 0.310 53 T C -0.419 174.276 174.700 -0.009 0.000 0.978 53 T CA -0.686 61.416 62.100 0.002 0.000 1.013 53 T CB 1.905 70.789 68.868 0.027 0.000 1.000 53 T HN 0.020 nan 8.240 nan 0.000 0.447 54 S N 2.406 118.043 115.700 -0.105 0.000 2.562 54 S HA 0.664 5.134 4.470 -0.000 0.000 0.275 54 S C -0.765 173.698 174.600 -0.227 0.000 1.281 54 S CA -0.564 57.588 58.200 -0.079 0.000 1.045 54 S CB 0.255 63.395 63.200 -0.101 0.000 0.962 54 S HN 0.522 nan 8.310 nan 0.000 0.503 55 F N 2.259 122.187 119.950 -0.037 0.000 2.496 55 F HA 0.469 4.996 4.527 -0.000 0.000 0.341 55 F C -0.680 175.116 175.800 -0.007 0.000 1.134 55 F CA -0.841 57.207 58.000 0.081 0.000 0.968 55 F CB 0.697 39.851 39.000 0.257 0.000 1.205 55 F HN 0.402 nan 8.300 nan 0.000 0.436 56 F N 3.641 123.671 119.950 0.133 0.000 2.394 56 F HA 0.454 4.981 4.527 -0.000 0.000 0.340 56 F C 0.588 176.530 175.800 0.236 0.000 1.105 56 F CA -0.593 57.439 58.000 0.053 0.000 1.124 56 F CB 0.739 39.478 39.000 -0.435 0.000 1.145 56 F HN 0.476 nan 8.300 nan 0.000 0.505 57 H N 0.313 119.711 119.070 0.547 0.000 3.037 57 H HA 0.788 5.344 4.556 -0.000 0.000 0.355 57 H C -1.900 173.737 175.328 0.515 0.000 1.263 57 H CA -1.249 55.081 56.048 0.470 0.000 1.129 57 H CB 1.385 31.467 29.762 0.533 0.000 1.861 57 H HN 0.618 nan 8.280 nan 0.000 0.546 58 V N -0.565 119.661 119.914 0.519 0.000 2.932 58 V HA 0.531 4.651 4.120 -0.000 0.000 0.307 58 V C -1.098 175.195 176.094 0.330 0.000 1.147 58 V CA -1.048 61.460 62.300 0.346 0.000 0.951 58 V CB 2.294 34.272 31.823 0.257 0.000 1.031 58 V HN 0.738 nan 8.190 nan 0.000 0.426 59 K N 2.396 122.884 120.400 0.146 0.000 2.156 59 K HA 0.561 4.881 4.320 -0.000 0.000 0.271 59 K C -0.079 176.504 176.600 -0.029 0.000 0.995 59 K CA -0.603 55.636 56.287 -0.080 0.000 0.890 59 K CB 2.415 34.698 32.500 -0.362 0.000 1.073 59 K HN 0.794 nan 8.250 nan 0.000 0.454 60 R N 0.686 121.170 120.500 -0.027 0.000 2.076 60 R HA 0.178 4.518 4.340 -0.000 0.000 0.203 60 R C 1.078 177.349 176.300 -0.049 0.000 1.229 60 R CA 1.062 57.157 56.100 -0.009 0.000 1.094 60 R CB 0.012 30.333 30.300 0.035 0.000 0.991 60 R HN 0.553 nan 8.270 nan 0.000 0.471 61 S N -0.174 115.495 115.700 -0.051 0.000 4.213 61 S HA 0.221 4.691 4.470 -0.000 0.000 0.198 61 S C 0.347 174.867 174.600 -0.134 0.000 0.970 61 S CA -0.325 57.833 58.200 -0.070 0.000 1.707 61 S CB -0.029 63.157 63.200 -0.023 0.000 0.685 61 S HN 0.203 nan 8.310 nan 0.000 0.736 62 N N 0.897 119.538 118.700 -0.099 0.000 2.313 62 N HA 0.327 5.067 4.740 -0.000 0.000 0.207 62 N C -1.127 174.356 175.510 -0.045 0.000 1.141 62 N CA 0.154 53.136 53.050 -0.114 0.000 0.830 62 N CB -0.212 38.229 38.487 -0.076 0.000 1.008 62 N HN 0.180 nan 8.380 nan 0.000 0.481 63 I N 0.282 120.828 120.570 -0.039 0.000 2.336 63 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 63 I C -0.396 175.757 176.117 0.060 0.000 0.991 63 I CA -0.834 60.518 61.300 0.087 0.000 1.227 63 I CB 0.707 38.791 38.000 0.140 0.000 1.366 63 I HN -0.016 nan 8.210 nan 0.000 0.466 64 W N 7.938 129.384 121.300 0.245 0.000 2.351 64 W HA 0.645 5.305 4.660 -0.000 0.000 0.311 64 W C -0.610 176.138 176.519 0.381 0.000 1.168 64 W CA -0.600 56.937 57.345 0.321 0.000 1.200 64 W CB 0.765 30.437 29.460 0.353 0.000 1.221 64 W HN 0.225 nan 8.180 nan 0.000 0.519 65 L N 1.598 123.156 121.223 0.558 0.000 2.438 65 L HA 1.009 5.348 4.340 -0.000 0.000 0.270 65 L C -0.683 176.399 176.870 0.352 0.000 0.972 65 L CA -1.273 53.813 54.840 0.411 0.000 0.831 65 L CB 1.678 43.891 42.059 0.257 0.000 1.273 65 L HN 0.425 nan 8.230 nan 0.000 0.405 66 A N 2.508 125.479 122.820 0.252 0.000 2.374 66 A HA 0.924 5.244 4.320 -0.000 0.000 0.305 66 A C -0.382 177.258 177.584 0.093 0.000 1.053 66 A CA -0.295 51.815 52.037 0.121 0.000 0.726 66 A CB 1.769 20.550 19.000 -0.364 0.000 1.229 66 A HN 1.103 nan 8.150 nan 0.000 0.431 67 A N 1.904 124.780 122.820 0.092 0.000 2.274 67 A HA 0.650 4.970 4.320 -0.000 0.000 0.309 67 A C -0.390 177.199 177.584 0.007 0.000 1.226 67 A CA -0.371 51.652 52.037 -0.023 0.000 0.853 67 A CB 0.511 19.433 19.000 -0.130 0.000 1.146 67 A HN 1.100 nan 8.150 nan 0.000 0.518 68 V N 1.956 121.796 119.914 -0.122 0.000 2.483 68 V HA 0.725 4.845 4.120 -0.000 0.000 0.295 68 V C 0.488 176.475 176.094 -0.179 0.000 1.035 68 V CA -0.235 61.938 62.300 -0.212 0.000 0.896 68 V CB 1.603 33.303 31.823 -0.206 0.000 0.986 68 V HN 0.997 nan 8.190 nan 0.000 0.447 69 T N 2.886 117.348 114.554 -0.153 0.000 2.903 69 T HA 0.447 4.797 4.350 -0.000 0.000 0.299 69 T C 0.131 174.770 174.700 -0.103 0.000 1.093 69 T CA -0.533 61.500 62.100 -0.113 0.000 1.002 69 T CB 1.964 70.797 68.868 -0.059 0.000 1.127 69 T HN 0.730 nan 8.240 nan 0.000 0.488 70 K N 1.056 121.408 120.400 -0.080 0.000 2.374 70 K HA 0.311 4.631 4.320 -0.000 0.000 0.202 70 K C 0.235 176.815 176.600 -0.033 0.000 1.040 70 K CA -0.025 56.230 56.287 -0.053 0.000 1.085 70 K CB 0.476 32.951 32.500 -0.041 0.000 0.873 70 K HN 0.484 nan 8.250 nan 0.000 0.539 71 Q N -0.238 119.539 119.800 -0.039 0.000 2.194 71 Q HA 0.187 4.527 4.340 -0.000 0.000 0.245 71 Q C -0.467 175.526 176.000 -0.012 0.000 0.993 71 Q CA -0.527 55.258 55.803 -0.030 0.000 0.930 71 Q CB 0.866 29.575 28.738 -0.049 0.000 1.238 71 Q HN 0.040 nan 8.270 nan 0.000 0.486 72 N N 1.148 119.841 118.700 -0.012 0.000 3.245 72 N HA 0.117 4.857 4.740 -0.000 0.000 0.296 72 N C -0.545 174.958 175.510 -0.013 0.000 1.254 72 N CA -0.311 52.740 53.050 0.001 0.000 1.190 72 N CB 0.228 38.715 38.487 -0.000 0.000 1.460 72 N HN 0.420 nan 8.380 nan 0.000 0.538 73 V N 0.538 120.442 119.914 -0.017 0.000 2.963 73 V HA 0.096 4.216 4.120 -0.000 0.000 0.306 73 V C 0.813 176.876 176.094 -0.052 0.000 1.077 73 V CA -0.851 61.404 62.300 -0.075 0.000 1.124 73 V CB 0.806 32.535 31.823 -0.158 0.000 0.987 73 V HN 0.442 nan 8.190 nan 0.000 0.487 74 N N 2.487 121.127 118.700 -0.100 0.000 2.414 74 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 74 N C 0.963 176.418 175.510 -0.093 0.000 1.286 74 N CA 0.722 53.728 53.050 -0.074 0.000 0.896 74 N CB 1.530 39.960 38.487 -0.094 0.000 1.093 74 N HN 0.991 nan 8.380 nan 0.000 0.480 75 A N 4.769 127.605 122.820 0.026 0.000 1.874 75 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 75 A C 2.159 179.767 177.584 0.039 0.000 1.189 75 A CA 1.466 53.575 52.037 0.120 0.000 0.615 75 A CB -0.827 18.373 19.000 0.333 0.000 0.830 75 A HN 0.771 nan 8.150 nan 0.000 0.443 76 A N -0.397 122.489 122.820 0.109 0.000 1.917 76 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 76 A C 2.269 179.880 177.584 0.044 0.000 1.182 76 A CA 2.101 54.229 52.037 0.152 0.000 0.633 76 A CB -0.627 18.444 19.000 0.118 0.000 0.819 76 A HN 0.599 nan 8.150 nan 0.000 0.448 77 M N -0.446 119.114 119.600 -0.066 0.000 2.080 77 M HA -0.156 4.323 4.480 -0.000 0.000 0.260 77 M C 2.033 178.205 176.300 -0.213 0.000 1.068 77 M CA 2.103 57.331 55.300 -0.119 0.000 1.109 77 M CB -0.314 32.189 32.600 -0.163 0.000 1.342 77 M HN 0.253 nan 8.290 nan 0.000 0.405 78 V N 0.596 120.227 119.914 -0.472 0.000 2.392 78 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 78 V C 2.043 177.849 176.094 -0.481 0.000 1.059 78 V CA 2.059 63.947 62.300 -0.688 0.000 1.051 78 V CB -0.871 30.043 31.823 -1.516 0.000 0.658 78 V HN 0.432 nan 8.190 nan 0.000 0.455 79 F N -0.331 119.445 119.950 -0.289 0.000 2.128 79 F HA -0.097 4.430 4.527 -0.000 0.000 0.295 79 F C 2.614 178.055 175.800 -0.598 0.000 1.100 79 F CA 1.182 58.891 58.000 -0.485 0.000 1.260 79 F CB -0.395 38.347 39.000 -0.431 0.000 1.009 79 F HN 0.057 nan 8.300 nan 0.000 0.476 80 E N 0.266 120.439 120.200 -0.045 0.000 2.147 80 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 80 E C 1.960 178.595 176.600 0.059 0.000 1.005 80 E CA 1.559 58.022 56.400 0.105 0.000 0.810 80 E CB -0.820 28.948 29.700 0.113 0.000 0.736 80 E HN 0.499 nan 8.360 nan 0.000 0.460 81 F N 0.820 120.686 119.950 -0.140 0.000 2.128 81 F HA -0.068 4.459 4.527 -0.000 0.000 0.295 81 F C 2.204 177.931 175.800 -0.123 0.000 1.100 81 F CA 0.832 58.752 58.000 -0.133 0.000 1.260 81 F CB -0.276 38.607 39.000 -0.195 0.000 1.009 81 F HN -0.100 nan 8.300 nan 0.000 0.476 82 L N -0.546 120.588 121.223 -0.149 0.000 2.079 82 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 82 L C 2.436 179.204 176.870 -0.171 0.000 1.081 82 L CA 1.185 55.895 54.840 -0.217 0.000 0.752 82 L CB -0.906 41.117 42.059 -0.058 0.000 0.896 82 L HN 0.204 nan 8.230 nan 0.000 0.433 83 Y N 0.066 120.342 120.300 -0.040 0.000 2.114 83 Y HA -0.300 4.250 4.550 -0.000 0.000 0.284 83 Y C 2.640 178.463 175.900 -0.129 0.000 1.143 83 Y CA 1.231 59.298 58.100 -0.054 0.000 1.135 83 Y CB -0.941 37.513 38.460 -0.010 0.000 0.980 83 Y HN 0.088 nan 8.280 nan 0.000 0.499 84 K N 0.616 121.008 120.400 -0.013 0.000 2.044 84 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 84 K C 2.238 178.707 176.600 -0.219 0.000 1.049 84 K CA 2.178 58.396 56.287 -0.115 0.000 0.927 84 K CB -0.385 32.032 32.500 -0.138 0.000 0.713 84 K HN 0.419 nan 8.250 nan 0.000 0.443 85 M N -0.138 119.210 119.600 -0.421 0.000 2.267 85 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 85 M C 1.677 177.848 176.300 -0.214 0.000 1.063 85 M CA 1.715 56.771 55.300 -0.405 0.000 1.090 85 M CB -0.203 32.016 32.600 -0.635 0.000 1.392 85 M HN 0.198 nan 8.290 nan 0.000 0.422 86 C N 0.819 120.039 119.300 -0.134 0.000 2.492 86 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 86 C C 2.150 177.082 174.990 -0.097 0.000 1.335 86 C CA 0.381 59.351 59.018 -0.080 0.000 1.734 86 C CB -0.893 26.845 27.740 -0.003 0.000 2.027 86 C HN 0.588 nan 8.230 nan 0.000 0.496 87 D N 1.184 121.537 120.400 -0.078 0.000 2.084 87 D HA -0.111 4.529 4.640 -0.000 0.000 0.194 87 D C 2.227 178.480 176.300 -0.078 0.000 0.990 87 D CA 1.197 55.156 54.000 -0.068 0.000 0.826 87 D CB -0.614 40.158 40.800 -0.047 0.000 0.971 87 D HN 0.229 nan 8.370 nan 0.000 0.453 88 V N 1.134 121.000 119.914 -0.080 0.000 2.282 88 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 88 V C 2.575 178.618 176.094 -0.086 0.000 1.057 88 V CA 1.714 63.991 62.300 -0.038 0.000 1.032 88 V CB -0.468 31.305 31.823 -0.082 0.000 0.645 88 V HN 0.201 nan 8.190 nan 0.000 0.447 89 M N -0.334 119.130 119.600 -0.227 0.000 2.149 89 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 89 M C 2.034 177.896 176.300 -0.731 0.000 1.064 89 M CA 2.235 57.252 55.300 -0.470 0.000 1.102 89 M CB -0.268 32.137 32.600 -0.326 0.000 1.369 89 M HN 0.384 nan 8.290 nan 0.000 0.408 90 A N -0.545 122.049 122.820 -0.377 0.000 2.016 90 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 90 A C 2.150 179.621 177.584 -0.189 0.000 1.162 90 A CA 1.299 53.164 52.037 -0.287 0.000 0.662 90 A CB -0.801 18.115 19.000 -0.140 0.000 0.812 90 A HN 0.587 nan 8.150 nan 0.000 0.450 91 A N -1.813 120.939 122.820 -0.113 0.000 2.067 91 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 91 A C 1.765 179.270 177.584 -0.131 0.000 1.158 91 A CA 1.154 53.141 52.037 -0.083 0.000 0.661 91 A CB -0.548 18.431 19.000 -0.035 0.000 0.801 91 A HN 0.568 nan 8.150 nan 0.000 0.452 92 Y N -1.759 118.395 120.300 -0.244 0.000 2.478 92 Y HA 0.243 4.793 4.550 -0.000 0.000 0.261 92 Y C 0.350 176.282 175.900 0.053 0.000 1.127 92 Y CA 0.120 58.156 58.100 -0.106 0.000 1.288 92 Y CB 0.399 38.825 38.460 -0.057 0.000 1.084 92 Y HN 0.440 nan 8.280 nan 0.000 0.530 93 F N -3.362 116.655 119.950 0.112 0.000 2.420 93 F HA 0.563 5.090 4.527 -0.000 0.000 0.353 93 F C 0.663 176.480 175.800 0.027 0.000 1.306 93 F CA -0.771 57.261 58.000 0.053 0.000 0.991 93 F CB -0.315 38.714 39.000 0.048 0.000 1.563 93 F HN 0.026 nan 8.300 nan 0.000 0.481 94 G N 1.937 110.753 108.800 0.026 0.000 2.634 94 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.309 94 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.309 94 G C 0.119 175.044 174.900 0.041 0.000 1.265 94 G CA 0.540 45.656 45.100 0.026 0.000 0.998 94 G HN 0.703 nan 8.290 nan 0.000 0.551 95 K N 1.070 121.513 120.400 0.071 0.000 2.559 95 K HA 0.153 4.473 4.320 -0.000 0.000 0.279 95 K C 1.335 178.016 176.600 0.134 0.000 0.967 95 K CA 0.723 57.052 56.287 0.071 0.000 1.000 95 K CB 0.035 32.570 32.500 0.058 0.000 0.890 95 K HN 0.446 nan 8.250 nan 0.000 0.501 96 I N 2.890 123.519 120.570 0.099 0.000 3.837 96 I HA 0.054 4.224 4.170 -0.000 0.000 0.332 96 I C 0.416 176.615 176.117 0.136 0.000 1.484 96 I CA -0.231 61.155 61.300 0.142 0.000 1.223 96 I CB -1.901 36.143 38.000 0.074 0.000 1.257 96 I HN 0.498 nan 8.210 nan 0.000 0.421 97 S N 0.152 115.922 115.700 0.118 0.000 2.617 97 S HA 0.095 4.565 4.470 -0.000 0.000 0.259 97 S C 1.206 175.841 174.600 0.059 0.000 1.301 97 S CA -0.162 58.081 58.200 0.071 0.000 0.984 97 S CB 1.738 64.967 63.200 0.049 0.000 0.954 97 S HN 0.474 nan 8.310 nan 0.000 0.572 98 E N 0.010 120.243 120.200 0.055 0.000 2.150 98 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 98 E C 1.701 178.295 176.600 -0.010 0.000 0.985 98 E CA 1.120 57.551 56.400 0.053 0.000 0.814 98 E CB -0.160 29.603 29.700 0.105 0.000 0.752 98 E HN 0.746 nan 8.360 nan 0.000 0.466 99 E N 1.092 121.283 120.200 -0.016 0.000 2.017 99 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 99 E C 1.552 178.065 176.600 -0.145 0.000 0.997 99 E CA 1.911 58.278 56.400 -0.055 0.000 0.804 99 E CB -0.249 29.435 29.700 -0.027 0.000 0.757 99 E HN 0.362 nan 8.360 nan 0.000 0.448 100 N N -0.466 118.145 118.700 -0.149 0.000 2.272 100 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 100 N C 1.715 176.859 175.510 -0.609 0.000 1.014 100 N CA 1.031 53.879 53.050 -0.337 0.000 0.870 100 N CB -0.071 38.333 38.487 -0.137 0.000 0.975 100 N HN 0.217 nan 8.380 nan 0.000 0.433 101 I N 0.849 121.196 120.570 -0.372 0.000 2.585 101 I HA -0.099 4.071 4.170 -0.000 0.000 0.254 101 I C 1.987 177.718 176.117 -0.643 0.000 1.129 101 I CA 0.641 61.701 61.300 -0.399 0.000 1.455 101 I CB -0.014 37.903 38.000 -0.139 0.000 1.111 101 I HN -0.022 nan 8.210 nan 0.000 0.433 102 K N 0.851 120.937 120.400 -0.523 0.000 2.360 102 K HA -0.120 4.200 4.320 -0.000 0.000 0.201 102 K C 0.897 177.020 176.600 -0.794 0.000 1.046 102 K CA 0.939 56.810 56.287 -0.693 0.000 0.945 102 K CB -0.092 32.310 32.500 -0.164 0.000 0.750 102 K HN 0.215 nan 8.250 nan 0.000 0.464 103 N N 0.290 118.650 118.700 -0.567 0.000 2.230 103 N HA 0.038 4.778 4.740 -0.000 0.000 0.202 103 N C -0.581 174.703 175.510 -0.377 0.000 1.119 103 N CA 0.326 53.152 53.050 -0.374 0.000 0.851 103 N CB 0.624 38.947 38.487 -0.274 0.000 0.990 103 N HN 0.158 nan 8.380 nan 0.000 0.497 104 N N -1.352 117.034 118.700 -0.523 0.000 2.361 104 N HA 0.154 4.894 4.740 -0.000 0.000 0.253 104 N C -0.051 175.364 175.510 -0.159 0.000 1.413 104 N CA -0.089 52.768 53.050 -0.321 0.000 0.821 104 N CB 0.424 38.597 38.487 -0.524 0.000 1.380 104 N HN -0.111 nan 8.380 nan 0.000 0.493 105 F N 0.941 120.897 119.950 0.010 0.000 2.063 105 F HA -0.307 4.220 4.527 -0.000 0.000 0.298 105 F C 2.443 178.361 175.800 0.197 0.000 1.109 105 F CA 1.710 59.776 58.000 0.110 0.000 1.212 105 F CB -0.909 38.188 39.000 0.161 0.000 0.973 105 F HN -0.020 nan 8.300 nan 0.000 0.480 106 V N -0.876 119.244 119.914 0.344 0.000 2.237 106 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 106 V C 2.286 178.494 176.094 0.191 0.000 1.046 106 V CA 1.532 63.986 62.300 0.257 0.000 1.007 106 V CB -1.503 30.425 31.823 0.174 0.000 0.638 106 V HN 0.338 nan 8.190 nan 0.000 0.445 107 L N 0.218 121.521 121.223 0.134 0.000 2.089 107 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 107 L C 2.234 179.145 176.870 0.069 0.000 1.079 107 L CA 1.959 56.862 54.840 0.105 0.000 0.758 107 L CB -0.615 41.528 42.059 0.140 0.000 0.891 107 L HN 0.323 nan 8.230 nan 0.000 0.433 108 I N -2.417 118.202 120.570 0.082 0.000 2.206 108 I HA -0.265 3.904 4.170 -0.000 0.000 0.239 108 I C 2.291 178.418 176.117 0.016 0.000 1.078 108 I CA 1.075 62.386 61.300 0.020 0.000 1.367 108 I CB -0.605 37.375 38.000 -0.033 0.000 1.078 108 I HN 0.153 nan 8.210 nan 0.000 0.413 109 Y N 1.350 121.704 120.300 0.090 0.000 2.139 109 Y HA -0.331 4.219 4.550 -0.000 0.000 0.282 109 Y C 2.692 178.630 175.900 0.063 0.000 1.179 109 Y CA 2.122 60.267 58.100 0.076 0.000 1.161 109 Y CB -0.529 37.974 38.460 0.071 0.000 0.970 109 Y HN 0.269 nan 8.280 nan 0.000 0.511 110 E N -0.374 119.951 120.200 0.209 0.000 2.106 110 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 110 E C 2.181 178.832 176.600 0.084 0.000 0.984 110 E CA 0.728 57.209 56.400 0.135 0.000 0.806 110 E CB -0.219 29.550 29.700 0.115 0.000 0.750 110 E HN 0.306 nan 8.360 nan 0.000 0.458 111 L N 0.994 122.234 121.223 0.028 0.000 2.046 111 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 111 L C 2.306 179.184 176.870 0.013 0.000 1.077 111 L CA 1.388 56.198 54.840 -0.050 0.000 0.747 111 L CB -0.808 41.156 42.059 -0.158 0.000 0.896 111 L HN 0.359 nan 8.230 nan 0.000 0.432 112 L N -0.370 120.894 121.223 0.068 0.000 2.017 112 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 112 L C 1.332 178.317 176.870 0.192 0.000 1.073 112 L CA 1.201 56.129 54.840 0.146 0.000 0.745 112 L CB -0.486 41.688 42.059 0.193 0.000 0.894 112 L HN 0.227 nan 8.230 nan 0.000 0.432 113 D N -0.558 119.955 120.400 0.189 0.000 2.396 113 D HA -0.082 4.558 4.640 -0.000 0.000 0.255 113 D C 1.200 177.572 176.300 0.120 0.000 1.224 113 D CA 0.577 54.689 54.000 0.187 0.000 0.894 113 D CB 0.399 41.295 40.800 0.159 0.000 0.939 113 D HN 0.324 nan 8.370 nan 0.000 0.506 114 E N -0.663 119.588 120.200 0.085 0.000 2.608 114 E HA 0.052 4.402 4.350 -0.000 0.000 0.204 114 E C 1.046 177.646 176.600 0.000 0.000 0.884 114 E CA -0.146 56.273 56.400 0.032 0.000 1.533 114 E CB 0.022 29.740 29.700 0.031 0.000 1.559 114 E HN 0.049 nan 8.360 nan 0.000 0.864 115 I N 0.693 121.285 120.570 0.038 0.000 3.578 115 I HA 0.365 4.535 4.170 -0.000 0.000 0.295 115 I C -0.578 175.619 176.117 0.132 0.000 1.280 115 I CA 0.295 61.637 61.300 0.070 0.000 1.347 115 I CB 0.419 38.452 38.000 0.055 0.000 1.051 115 I HN 0.103 nan 8.210 nan 0.000 0.460 116 L N 0.539 121.784 121.223 0.037 0.000 2.752 116 L HA 0.418 4.758 4.340 -0.000 0.000 0.257 116 L C -1.753 175.000 176.870 -0.195 0.000 0.968 116 L CA -0.344 54.409 54.840 -0.145 0.000 0.953 116 L CB 0.795 42.667 42.059 -0.312 0.000 1.286 116 L HN -0.125 nan 8.230 nan 0.000 0.443 117 D N 3.709 124.037 120.400 -0.120 0.000 2.233 117 D HA 0.353 4.993 4.640 -0.000 0.000 0.240 117 D C 0.458 176.696 176.300 -0.103 0.000 1.074 117 D CA 0.190 54.158 54.000 -0.055 0.000 0.838 117 D CB 0.829 41.610 40.800 -0.032 0.000 1.124 117 D HN 0.483 nan 8.370 nan 0.000 0.475 118 F N 3.317 123.165 119.950 -0.170 0.000 3.093 118 F HA -0.301 4.226 4.527 -0.000 0.000 0.283 118 F C 1.146 176.811 175.800 -0.226 0.000 0.848 118 F CA 1.944 59.822 58.000 -0.205 0.000 1.059 118 F CB -1.021 37.706 39.000 -0.454 0.000 1.191 118 F HN 0.668 nan 8.300 nan 0.000 0.514 119 G N -0.981 107.553 108.800 -0.444 0.000 2.157 119 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.248 119 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.248 119 G C 0.164 174.940 174.900 -0.207 0.000 0.979 119 G CA -0.048 44.743 45.100 -0.516 0.000 0.650 119 G HN 0.753 nan 8.290 nan 0.000 0.529 120 Y N 1.861 121.962 120.300 -0.332 0.000 2.350 120 Y HA 0.374 4.924 4.550 -0.000 0.000 0.340 120 Y C -1.551 174.183 175.900 -0.277 0.000 1.006 120 Y CA -2.489 55.462 58.100 -0.248 0.000 1.166 120 Y CB 1.310 39.712 38.460 -0.096 0.000 1.168 120 Y HN 0.034 nan 8.280 nan 0.000 0.502 121 P HA -0.054 nan 4.420 nan 0.000 0.270 121 P C -0.481 176.824 177.300 0.008 0.000 1.223 121 P CA -0.067 62.977 63.100 -0.093 0.000 0.785 121 P CB 1.155 32.832 31.700 -0.039 0.000 0.923 122 Q N 0.570 120.396 119.800 0.044 0.000 2.055 122 Q HA 0.100 4.440 4.340 -0.000 0.000 0.226 122 Q C -0.628 175.367 176.000 -0.009 0.000 0.805 122 Q CA -0.182 55.627 55.803 0.011 0.000 1.072 122 Q CB -0.618 28.116 28.738 -0.005 0.000 1.219 122 Q HN 0.568 nan 8.270 nan 0.000 0.451 123 N N -1.685 117.022 118.700 0.011 0.000 2.621 123 N HA -0.233 4.507 4.740 -0.000 0.000 0.291 123 N C -0.435 175.055 175.510 -0.032 0.000 1.580 123 N CA 0.821 53.867 53.050 -0.007 0.000 1.058 123 N CB -0.852 37.625 38.487 -0.016 0.000 0.975 123 N HN 0.186 nan 8.380 nan 0.000 0.477 124 S N 2.292 117.976 115.700 -0.026 0.000 2.696 124 S HA 0.091 4.561 4.470 -0.000 0.000 0.172 124 S C 0.154 174.743 174.600 -0.019 0.000 0.767 124 S CA 1.266 59.445 58.200 -0.035 0.000 0.856 124 S CB -0.153 63.022 63.200 -0.042 0.000 0.782 124 S HN 0.773 nan 8.310 nan 0.000 0.582 125 E N 0.218 120.411 120.200 -0.011 0.000 2.971 125 E HA -0.158 4.192 4.350 -0.000 0.000 0.278 125 E C -0.022 176.586 176.600 0.014 0.000 1.009 125 E CA 0.615 57.014 56.400 -0.002 0.000 0.862 125 E CB -2.446 27.252 29.700 -0.004 0.000 1.436 125 E HN 0.643 nan 8.360 nan 0.000 0.434 126 T N -2.694 111.882 114.554 0.037 0.000 6.355 126 T HA -0.277 4.073 4.350 -0.000 0.000 0.325 126 T C 0.822 175.558 174.700 0.061 0.000 1.258 126 T CA 0.872 63.017 62.100 0.076 0.000 2.332 126 T CB -1.506 67.400 68.868 0.065 0.000 2.396 126 T HN 0.743 nan 8.240 nan 0.000 1.078 127 G N 0.238 109.060 108.800 0.037 0.000 2.335 127 G HA2 0.470 4.430 3.960 -0.000 0.000 0.268 127 G HA3 0.470 4.430 3.960 -0.000 0.000 0.268 127 G C 0.888 175.834 174.900 0.075 0.000 1.228 127 G CA -0.047 45.077 45.100 0.040 0.000 0.968 127 G HN 1.620 nan 8.290 nan 0.000 0.459 128 A N 2.420 125.307 122.820 0.112 0.000 2.714 128 A HA -0.185 4.135 4.320 -0.000 0.000 0.305 128 A C 1.735 179.528 177.584 0.347 0.000 1.520 128 A CA 1.253 53.408 52.037 0.198 0.000 0.879 128 A CB -1.405 17.730 19.000 0.225 0.000 0.976 128 A HN 0.775 nan 8.150 nan 0.000 0.487 129 L N -1.153 120.224 121.223 0.257 0.000 2.395 129 L HA -0.132 4.208 4.340 -0.000 0.000 0.218 129 L C 2.490 179.586 176.870 0.377 0.000 1.130 129 L CA 1.653 56.692 54.840 0.331 0.000 0.826 129 L CB -0.342 41.850 42.059 0.223 0.000 0.941 129 L HN 0.828 nan 8.230 nan 0.000 0.451 130 K N 0.870 121.423 120.400 0.255 0.000 2.074 130 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 130 K C 1.443 178.118 176.600 0.124 0.000 1.048 130 K CA 2.020 58.410 56.287 0.171 0.000 0.926 130 K CB -0.272 32.281 32.500 0.088 0.000 0.713 130 K HN 0.292 nan 8.250 nan 0.000 0.444 131 T N -1.760 112.841 114.554 0.078 0.000 3.439 131 T HA 0.100 4.449 4.350 -0.000 0.000 0.251 131 T C 0.557 174.907 174.700 -0.583 0.000 1.108 131 T CA 0.052 62.018 62.100 -0.222 0.000 0.982 131 T CB -0.312 68.359 68.868 -0.330 0.000 1.024 131 T HN 0.276 nan 8.240 nan 0.000 0.573 132 F N -0.735 119.252 119.950 0.062 0.000 2.897 132 F HA 0.407 4.934 4.527 -0.000 0.000 0.377 132 F C 0.259 176.099 175.800 0.066 0.000 0.917 132 F CA -0.832 57.203 58.000 0.058 0.000 1.079 132 F CB 0.663 39.695 39.000 0.054 0.000 1.068 132 F HN 0.083 nan 8.300 nan 0.000 0.581 133 I N 2.489 123.212 120.570 0.256 0.000 2.257 133 I HA 0.119 4.289 4.170 -0.000 0.000 0.290 133 I C 0.915 177.127 176.117 0.157 0.000 1.137 133 I CA -0.145 61.275 61.300 0.200 0.000 1.255 133 I CB -0.832 37.328 38.000 0.267 0.000 1.485 133 I HN 0.112 nan 8.210 nan 0.000 0.534 134 T N 1.266 115.888 114.554 0.113 0.000 3.667 134 T HA 0.236 4.586 4.350 -0.000 0.000 0.240 134 T C 0.398 175.152 174.700 0.090 0.000 0.919 134 T CA -0.197 61.952 62.100 0.082 0.000 0.928 134 T CB -0.180 68.721 68.868 0.055 0.000 1.151 134 T HN 0.410 nan 8.240 nan 0.000 0.644 135 Q N 0.075 119.946 119.800 0.119 0.000 2.418 135 Q HA 0.340 4.680 4.340 -0.000 0.000 0.282 135 Q C 0.411 176.499 176.000 0.146 0.000 1.044 135 Q CA -0.860 55.014 55.803 0.118 0.000 0.813 135 Q CB 1.667 30.474 28.738 0.116 0.000 1.428 135 Q HN 0.120 nan 8.270 nan 0.000 0.402 136 Q N 0.983 120.856 119.800 0.121 0.000 1.579 136 Q HA 0.178 4.518 4.340 -0.000 0.000 0.490 136 Q C -0.065 176.037 176.000 0.170 0.000 0.970 136 Q CA 1.486 57.359 55.803 0.117 0.000 0.898 136 Q CB -0.662 28.126 28.738 0.083 0.000 0.936 136 Q HN 1.045 nan 8.270 nan 0.000 0.385 137 G N 0.755 109.654 108.800 0.165 0.000 2.403 137 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.393 137 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.393 137 G C -0.619 174.373 174.900 0.154 0.000 1.106 137 G CA -0.562 44.680 45.100 0.236 0.000 1.305 137 G HN 0.211 nan 8.290 nan 0.000 0.628 138 I N 3.514 124.132 120.570 0.081 0.000 2.357 138 I HA 0.133 4.303 4.170 -0.000 0.000 0.300 138 I C 1.329 177.472 176.117 0.043 0.000 1.159 138 I CA -0.615 60.704 61.300 0.031 0.000 1.339 138 I CB 0.137 38.120 38.000 -0.028 0.000 1.458 138 I HN 0.305 nan 8.210 nan 0.000 0.577 139 K N 4.123 124.581 120.400 0.098 0.000 2.156 139 K HA 0.531 4.851 4.320 -0.000 0.000 0.242 139 K C -0.005 176.635 176.600 0.067 0.000 1.033 139 K CA -0.430 55.933 56.287 0.127 0.000 0.878 139 K CB 1.235 33.801 32.500 0.111 0.000 1.057 139 K HN 0.440 nan 8.250 nan 0.000 0.505 140 S N -1.057 114.689 115.700 0.078 0.000 2.714 140 S HA 0.198 4.668 4.470 -0.000 0.000 0.284 140 S C -1.908 172.725 174.600 0.054 0.000 1.019 140 S CA -0.654 57.574 58.200 0.045 0.000 0.856 140 S CB 1.049 64.260 63.200 0.018 0.000 1.075 140 S HN 0.757 nan 8.310 nan 0.000 0.455 160 G N 1.652 110.130 108.800 -0.537 0.000 2.261 160 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 160 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 160 G C -0.714 174.094 174.900 -0.154 0.000 0.572 160 G CA 0.219 45.201 45.100 -0.196 0.000 1.011 160 G HN 0.438 nan 8.290 nan 0.000 0.328 161 W N 0.813 122.139 121.300 0.044 0.000 2.086 161 W HA 0.649 5.309 4.660 -0.000 0.000 0.355 161 W C 1.130 177.661 176.519 0.021 0.000 1.313 161 W CA -0.669 56.691 57.345 0.026 0.000 1.358 161 W CB 0.860 30.333 29.460 0.022 0.000 1.166 161 W HN 0.626 nan 8.180 nan 0.000 0.630 162 R N 1.884 122.694 120.500 0.517 0.000 2.523 162 R HA 0.202 4.542 4.340 -0.000 0.000 0.278 162 R C -0.607 175.809 176.300 0.194 0.000 1.150 162 R CA -0.890 55.380 56.100 0.283 0.000 0.987 162 R CB 0.747 31.201 30.300 0.256 0.000 1.232 162 R HN 0.401 nan 8.270 nan 0.000 0.424 163 R N 2.142 122.708 120.500 0.109 0.000 2.638 163 R HA -0.068 4.272 4.340 -0.000 0.000 0.268 163 R C -0.044 176.273 176.300 0.028 0.000 1.006 163 R CA 0.243 56.364 56.100 0.036 0.000 1.088 163 R CB 0.275 30.591 30.300 0.027 0.000 0.950 163 R HN 0.613 nan 8.270 nan 0.000 0.419 164 E N 0.244 120.433 120.200 -0.018 0.000 2.383 164 E HA 0.197 4.547 4.350 -0.000 0.000 0.264 164 E C 0.210 176.811 176.600 0.002 0.000 1.050 164 E CA 0.935 57.329 56.400 -0.010 0.000 0.896 164 E CB 0.483 30.158 29.700 -0.041 0.000 0.982 164 E HN 0.679 nan 8.360 nan 0.000 0.424 165 G N 5.071 113.881 108.800 0.016 0.000 2.370 165 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.293 165 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.293 165 G C 0.214 175.112 174.900 -0.003 0.000 0.992 165 G CA 0.352 45.460 45.100 0.013 0.000 1.247 165 G HN 0.483 nan 8.290 nan 0.000 0.505 166 I N -1.956 118.620 120.570 0.012 0.000 2.581 166 I HA 0.685 4.855 4.170 -0.000 0.000 0.288 166 I C 0.245 176.318 176.117 -0.073 0.000 1.047 166 I CA -0.433 60.837 61.300 -0.049 0.000 1.374 166 I CB 1.135 39.140 38.000 0.009 0.000 1.423 166 I HN 0.181 nan 8.210 nan 0.000 0.549 167 K N 5.160 125.430 120.400 -0.217 0.000 2.443 167 K HA 0.571 4.891 4.320 -0.000 0.000 0.252 167 K C -1.720 174.688 176.600 -0.321 0.000 0.933 167 K CA -0.531 55.666 56.287 -0.150 0.000 0.792 167 K CB 2.452 34.904 32.500 -0.079 0.000 1.185 167 K HN 0.524 nan 8.250 nan 0.000 0.425 168 Y N 1.302 121.621 120.300 0.030 0.000 2.524 168 Y HA 0.232 4.782 4.550 -0.000 0.000 0.344 168 Y C 1.562 177.458 175.900 -0.007 0.000 1.012 168 Y CA -0.929 57.181 58.100 0.016 0.000 1.068 168 Y CB 1.663 40.147 38.460 0.040 0.000 1.249 168 Y HN 0.530 nan 8.280 nan 0.000 0.468 169 R N 1.360 121.988 120.500 0.214 0.000 2.109 169 R HA -0.016 4.323 4.340 -0.000 0.000 0.227 169 R C -0.333 176.004 176.300 0.062 0.000 1.132 169 R CA 1.016 57.179 56.100 0.106 0.000 0.907 169 R CB -0.401 29.961 30.300 0.103 0.000 0.825 169 R HN 0.558 nan 8.270 nan 0.000 0.432 170 R N 0.746 121.280 120.500 0.057 0.000 2.787 170 R HA 0.330 4.670 4.340 -0.000 0.000 0.271 170 R C -0.867 175.407 176.300 -0.043 0.000 0.993 170 R CA -0.948 55.144 56.100 -0.015 0.000 0.993 170 R CB 0.922 31.215 30.300 -0.013 0.000 1.155 170 R HN 0.143 nan 8.270 nan 0.000 0.486 171 N N 2.866 121.475 118.700 -0.152 0.000 2.521 171 N HA 0.068 4.808 4.740 -0.000 0.000 0.236 171 N C -0.997 174.410 175.510 -0.172 0.000 1.067 171 N CA -0.149 52.785 53.050 -0.194 0.000 0.939 171 N CB 0.785 39.023 38.487 -0.415 0.000 1.201 171 N HN 0.539 nan 8.380 nan 0.000 0.511 172 E N 0.837 120.957 120.200 -0.133 0.000 2.221 172 E HA 0.688 5.038 4.350 -0.000 0.000 0.268 172 E C -0.677 175.794 176.600 -0.215 0.000 0.933 172 E CA -1.135 55.139 56.400 -0.211 0.000 0.809 172 E CB 1.776 31.399 29.700 -0.128 0.000 1.190 172 E HN 0.212 nan 8.360 nan 0.000 0.406 173 L N -1.490 119.520 121.223 -0.355 0.000 2.445 173 L HA 0.670 5.009 4.340 -0.000 0.000 0.262 173 L C -1.552 175.139 176.870 -0.298 0.000 0.974 173 L CA -0.917 53.789 54.840 -0.223 0.000 0.822 173 L CB 1.016 43.030 42.059 -0.075 0.000 1.339 173 L HN 0.511 nan 8.230 nan 0.000 0.409 174 F N 2.585 122.537 119.950 0.004 0.000 2.508 174 F HA 0.781 5.308 4.527 -0.000 0.000 0.325 174 F C -0.293 175.457 175.800 -0.084 0.000 1.090 174 F CA -0.789 57.246 58.000 0.057 0.000 0.945 174 F CB 2.022 40.986 39.000 -0.060 0.000 1.156 174 F HN 0.355 nan 8.300 nan 0.000 0.463 175 L N 3.193 124.471 121.223 0.092 0.000 2.427 175 L HA 0.383 4.723 4.340 -0.000 0.000 0.264 175 L C -1.437 175.370 176.870 -0.105 0.000 0.989 175 L CA -0.656 54.138 54.840 -0.075 0.000 0.865 175 L CB 1.374 43.363 42.059 -0.115 0.000 1.209 175 L HN 0.521 nan 8.230 nan 0.000 0.430 176 D N 2.577 122.901 120.400 -0.127 0.000 2.280 176 D HA 0.248 4.888 4.640 -0.000 0.000 0.243 176 D C -0.228 175.983 176.300 -0.148 0.000 1.129 176 D CA -0.037 53.883 54.000 -0.133 0.000 0.848 176 D CB 2.223 42.952 40.800 -0.119 0.000 1.107 176 D HN 0.000 nan 8.370 nan 0.000 0.471 177 V N 4.379 124.198 119.914 -0.158 0.000 2.304 177 V HA 0.188 4.308 4.120 -0.000 0.000 0.262 177 V C 0.004 176.100 176.094 0.005 0.000 1.061 177 V CA -0.560 61.705 62.300 -0.058 0.000 0.872 177 V CB -0.021 31.782 31.823 -0.033 0.000 1.077 177 V HN 0.383 nan 8.190 nan 0.000 0.480 178 L N 5.488 126.688 121.223 -0.037 0.000 2.262 178 L HA 0.593 4.933 4.340 -0.000 0.000 0.288 178 L C 0.193 177.017 176.870 -0.076 0.000 1.035 178 L CA -0.145 54.659 54.840 -0.061 0.000 0.820 178 L CB 0.843 42.845 42.059 -0.096 0.000 1.204 178 L HN 0.554 nan 8.230 nan 0.000 0.424 179 E N 1.931 122.101 120.200 -0.050 0.000 2.256 179 E HA 0.425 4.774 4.350 -0.000 0.000 0.267 179 E C -1.063 175.488 176.600 -0.082 0.000 0.892 179 E CA -0.609 55.755 56.400 -0.060 0.000 0.775 179 E CB 2.833 32.549 29.700 0.027 0.000 1.207 179 E HN 0.336 nan 8.360 nan 0.000 0.420 180 S N 1.847 117.492 115.700 -0.091 0.000 2.640 180 S HA 0.269 4.739 4.470 -0.000 0.000 0.320 180 S C -1.010 173.533 174.600 -0.096 0.000 1.097 180 S CA -0.570 57.565 58.200 -0.108 0.000 1.092 180 S CB 1.085 64.219 63.200 -0.111 0.000 0.988 180 S HN 0.321 nan 8.310 nan 0.000 0.470 181 V N 5.822 125.702 119.914 -0.057 0.000 2.439 181 V HA 0.592 4.712 4.120 -0.000 0.000 0.282 181 V C -0.676 175.426 176.094 0.013 0.000 1.039 181 V CA -0.332 61.974 62.300 0.009 0.000 0.913 181 V CB 1.199 33.141 31.823 0.198 0.000 0.983 181 V HN 0.940 nan 8.190 nan 0.000 0.460 182 N N 5.288 123.876 118.700 -0.186 0.000 2.384 182 N HA 0.843 5.583 4.740 -0.000 0.000 0.301 182 N C -1.307 174.108 175.510 -0.159 0.000 1.133 182 N CA -0.525 52.419 53.050 -0.177 0.000 0.853 182 N CB 2.049 40.310 38.487 -0.376 0.000 1.241 182 N HN 0.726 nan 8.380 nan 0.000 0.502 183 L N 0.911 122.001 121.223 -0.221 0.000 2.565 183 L HA 0.611 4.951 4.340 -0.000 0.000 0.261 183 L C -2.246 174.482 176.870 -0.237 0.000 0.932 183 L CA -0.737 53.912 54.840 -0.318 0.000 0.878 183 L CB 1.715 43.331 42.059 -0.739 0.000 1.333 183 L HN 0.507 nan 8.230 nan 0.000 0.409 184 L N 5.196 126.335 121.223 -0.140 0.000 2.316 184 L HA 0.712 5.052 4.340 -0.000 0.000 0.280 184 L C -0.961 175.854 176.870 -0.091 0.000 1.006 184 L CA -0.122 54.659 54.840 -0.099 0.000 0.836 184 L CB 1.334 43.362 42.059 -0.052 0.000 1.221 184 L HN 0.887 nan 8.230 nan 0.000 0.418 185 M N 3.542 123.087 119.600 -0.091 0.000 2.436 185 M HA 0.503 4.983 4.480 -0.000 0.000 0.331 185 M C 0.009 176.288 176.300 -0.035 0.000 1.135 185 M CA -0.373 54.890 55.300 -0.062 0.000 0.987 185 M CB 1.929 34.492 32.600 -0.061 0.000 1.687 185 M HN 0.758 nan 8.290 nan 0.000 0.445 186 S N 4.186 119.871 115.700 -0.025 0.000 2.585 186 S HA 0.328 4.798 4.470 -0.000 0.000 0.273 186 S C -2.067 172.529 174.600 -0.006 0.000 1.339 186 S CA -0.982 57.208 58.200 -0.016 0.000 1.028 186 S CB 0.715 63.906 63.200 -0.014 0.000 0.906 186 S HN 0.609 nan 8.310 nan 0.000 0.528 187 P HA -0.095 nan 4.420 nan 0.000 0.215 187 P C 0.964 178.271 177.300 0.012 0.000 1.157 187 P CA 1.354 64.459 63.100 0.008 0.000 0.874 187 P CB -0.022 31.682 31.700 0.007 0.000 0.790 188 Q N -1.670 118.133 119.800 0.006 0.000 2.488 188 Q HA 0.214 4.554 4.340 -0.000 0.000 0.211 188 Q C 1.321 177.324 176.000 0.005 0.000 0.967 188 Q CA 1.147 56.953 55.803 0.006 0.000 0.926 188 Q CB -0.720 28.019 28.738 0.002 0.000 0.992 188 Q HN 0.287 nan 8.270 nan 0.000 0.506 189 G N -0.838 107.965 108.800 0.004 0.000 2.138 189 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.193 189 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.193 189 G C -0.330 174.567 174.900 -0.005 0.000 0.998 189 G CA -0.599 44.504 45.100 0.005 0.000 0.668 189 G HN 0.128 nan 8.290 nan 0.000 0.516 190 Q N 0.475 120.269 119.800 -0.010 0.000 2.293 190 Q HA 0.361 4.701 4.340 -0.000 0.000 0.263 190 Q C 0.700 176.687 176.000 -0.023 0.000 1.002 190 Q CA -0.151 55.642 55.803 -0.017 0.000 0.910 190 Q CB 1.719 30.448 28.738 -0.016 0.000 1.185 190 Q HN 0.266 nan 8.270 nan 0.000 0.401 191 V N 6.433 126.331 119.914 -0.025 0.000 2.377 191 V HA -0.058 4.062 4.120 -0.000 0.000 0.254 191 V C 1.687 177.764 176.094 -0.028 0.000 1.060 191 V CA 0.323 62.604 62.300 -0.032 0.000 1.068 191 V CB -0.545 31.262 31.823 -0.028 0.000 1.113 191 V HN 0.714 nan 8.190 nan 0.000 0.484 192 L N 3.353 124.558 121.223 -0.030 0.000 2.201 192 L HA 0.031 4.371 4.340 -0.000 0.000 0.212 192 L C 1.023 177.884 176.870 -0.015 0.000 1.105 192 L CA 1.120 55.946 54.840 -0.023 0.000 0.775 192 L CB -0.155 41.890 42.059 -0.024 0.000 0.913 192 L HN 0.845 nan 8.230 nan 0.000 0.440 193 S N -1.587 114.103 115.700 -0.017 0.000 2.558 193 S HA 0.778 5.247 4.470 -0.000 0.000 0.277 193 S C -1.083 173.521 174.600 0.007 0.000 1.143 193 S CA -0.293 57.911 58.200 0.007 0.000 0.865 193 S CB 1.982 65.194 63.200 0.020 0.000 1.102 193 S HN 0.162 nan 8.310 nan 0.000 0.454 194 A N 1.938 124.789 122.820 0.053 0.000 2.594 194 A HA 0.844 5.163 4.320 -0.000 0.000 0.296 194 A C -1.207 176.470 177.584 0.155 0.000 1.056 194 A CA -0.512 51.556 52.037 0.051 0.000 0.693 194 A CB 1.239 20.248 19.000 0.015 0.000 1.278 194 A HN 2.180 nan 8.150 nan 0.000 0.408 195 H N -0.061 119.033 119.070 0.041 0.000 3.129 195 H HA 0.537 5.093 4.556 -0.000 0.000 0.342 195 H C -2.124 173.247 175.328 0.073 0.000 1.092 195 H CA -0.583 55.498 56.048 0.056 0.000 1.310 195 H CB 0.434 30.220 29.762 0.039 0.000 1.932 195 H HN 0.529 nan 8.280 nan 0.000 0.507 196 V N 2.795 122.779 119.914 0.116 0.000 2.583 196 V HA 0.200 4.320 4.120 -0.000 0.000 0.287 196 V C 0.460 176.638 176.094 0.140 0.000 1.051 196 V CA -0.189 62.161 62.300 0.083 0.000 1.010 196 V CB 1.393 33.311 31.823 0.158 0.000 0.988 196 V HN 0.805 nan 8.190 nan 0.000 0.478 197 S N 3.229 118.955 115.700 0.043 0.000 2.433 197 S HA 0.679 5.149 4.470 -0.000 0.000 0.310 197 S C 0.376 174.840 174.600 -0.227 0.000 1.097 197 S CA -0.387 57.800 58.200 -0.021 0.000 1.103 197 S CB 1.464 64.672 63.200 0.014 0.000 0.992 197 S HN 1.028 nan 8.310 nan 0.000 0.469 198 G N 1.453 109.904 108.800 -0.582 0.000 2.552 198 G HA2 0.795 4.755 3.960 -0.000 0.000 0.324 198 G HA3 0.795 4.755 3.960 -0.000 0.000 0.324 198 G C -0.808 173.559 174.900 -0.888 0.000 1.217 198 G CA -0.836 43.551 45.100 -1.189 0.000 0.989 198 G HN 0.611 nan 8.290 nan 0.000 0.490 199 R N -0.430 119.701 120.500 -0.616 0.000 3.262 199 R HA 0.281 4.621 4.340 -0.000 0.000 0.270 199 R C -2.050 174.187 176.300 -0.106 0.000 1.147 199 R CA -0.413 55.522 56.100 -0.275 0.000 1.189 199 R CB 1.335 31.505 30.300 -0.217 0.000 1.271 199 R HN 0.447 nan 8.270 nan 0.000 0.447 200 V N 5.363 125.248 119.914 -0.048 0.000 2.328 200 V HA 0.395 4.515 4.120 -0.000 0.000 0.278 200 V C -0.118 175.835 176.094 -0.235 0.000 1.021 200 V CA -0.605 61.637 62.300 -0.097 0.000 0.838 200 V CB 1.589 33.377 31.823 -0.057 0.000 0.999 200 V HN 0.441 nan 8.190 nan 0.000 0.447 201 V N 6.444 126.204 119.914 -0.255 0.000 2.427 201 V HA 0.494 4.614 4.120 -0.000 0.000 0.286 201 V C -0.014 175.830 176.094 -0.416 0.000 1.034 201 V CA -0.452 61.641 62.300 -0.345 0.000 0.893 201 V CB 1.628 33.303 31.823 -0.247 0.000 0.982 201 V HN 0.896 nan 8.190 nan 0.000 0.452 202 M N 4.801 123.994 119.600 -0.678 0.000 2.227 202 M HA 0.530 5.010 4.480 -0.000 0.000 0.335 202 M C -0.633 175.393 176.300 -0.456 0.000 1.053 202 M CA -0.552 54.398 55.300 -0.584 0.000 0.973 202 M CB 1.170 33.319 32.600 -0.752 0.000 1.623 202 M HN 0.565 nan 8.290 nan 0.000 0.434 203 K N 2.606 122.885 120.400 -0.202 0.000 2.240 203 K HA 0.402 4.722 4.320 -0.000 0.000 0.271 203 K C -1.065 175.473 176.600 -0.104 0.000 1.018 203 K CA -0.285 55.879 56.287 -0.205 0.000 0.874 203 K CB 1.248 33.508 32.500 -0.399 0.000 1.098 203 K HN 0.653 nan 8.250 nan 0.000 0.458 204 S N 4.566 120.201 115.700 -0.108 0.000 2.718 204 S HA 0.297 4.767 4.470 -0.000 0.000 0.294 204 S C -0.956 173.665 174.600 0.036 0.000 1.157 204 S CA -0.692 57.516 58.200 0.014 0.000 1.121 204 S CB 0.192 63.524 63.200 0.221 0.000 1.015 204 S HN 0.615 nan 8.310 nan 0.000 0.479 205 Y N 5.833 126.117 120.300 -0.026 0.000 2.827 205 Y HA 0.408 4.958 4.550 -0.000 0.000 0.373 205 Y C 0.337 175.905 175.900 -0.553 0.000 1.198 205 Y CA -1.039 56.730 58.100 -0.551 0.000 1.589 205 Y CB 0.183 38.290 38.460 -0.588 0.000 1.682 205 Y HN 0.654 nan 8.280 nan 0.000 0.506 206 L N -0.962 120.293 121.223 0.053 0.000 2.371 206 L HA 0.880 5.220 4.340 -0.000 0.000 0.262 206 L C -0.460 176.664 176.870 0.424 0.000 1.006 206 L CA -0.985 53.966 54.840 0.184 0.000 0.818 206 L CB 2.296 44.426 42.059 0.118 0.000 1.354 206 L HN 0.112 nan 8.230 nan 0.000 0.415 207 S N 0.457 116.384 115.700 0.379 0.000 2.593 207 S HA 0.977 5.447 4.470 -0.000 0.000 0.297 207 S C 0.218 175.033 174.600 0.357 0.000 1.112 207 S CA 0.140 58.554 58.200 0.357 0.000 1.043 207 S CB 1.396 64.749 63.200 0.254 0.000 1.054 207 S HN 2.024 nan 8.310 nan 0.000 0.516 208 G N 1.015 109.956 108.800 0.234 0.000 2.587 208 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.212 208 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.212 208 G C -0.651 174.339 174.900 0.150 0.000 1.327 208 G CA -0.146 45.060 45.100 0.177 0.000 0.898 208 G HN 0.994 nan 8.290 nan 0.000 0.551 209 M N 2.690 122.355 119.600 0.109 0.000 2.901 209 M HA 0.440 4.920 4.480 -0.000 0.000 0.294 209 M C -2.227 174.118 176.300 0.076 0.000 1.255 209 M CA -2.528 52.834 55.300 0.103 0.000 1.274 209 M CB 0.915 33.571 32.600 0.092 0.000 1.173 209 M HN 0.336 nan 8.290 nan 0.000 0.525 210 P HA 0.259 nan 4.420 nan 0.000 0.293 210 P C -0.954 176.347 177.300 0.001 0.000 1.313 210 P CA -0.294 62.840 63.100 0.057 0.000 0.787 210 P CB 0.711 32.477 31.700 0.110 0.000 0.910 211 E N 2.743 122.927 120.200 -0.026 0.000 2.152 211 E HA 0.302 4.652 4.350 -0.000 0.000 0.285 211 E C -0.562 175.973 176.600 -0.108 0.000 1.043 211 E CA -0.529 55.809 56.400 -0.104 0.000 0.839 211 E CB 0.017 29.643 29.700 -0.124 0.000 1.069 211 E HN 0.531 nan 8.360 nan 0.000 0.399 212 C N 3.163 122.293 119.300 -0.282 0.000 2.411 212 C HA 0.627 5.087 4.460 -0.000 0.000 0.330 212 C C -0.185 174.622 174.990 -0.305 0.000 1.224 212 C CA -1.282 57.590 59.018 -0.243 0.000 1.770 212 C CB 0.705 28.319 27.740 -0.210 0.000 2.297 212 C HN 0.730 nan 8.230 nan 0.000 0.507 213 K N 1.480 121.889 120.400 0.015 0.000 2.185 213 K HA 0.543 4.863 4.320 -0.000 0.000 0.269 213 K C -1.568 175.272 176.600 0.399 0.000 0.987 213 K CA -0.432 55.977 56.287 0.203 0.000 0.865 213 K CB 0.915 33.567 32.500 0.255 0.000 1.090 213 K HN 0.846 nan 8.250 nan 0.000 0.450 214 F N 3.884 123.970 119.950 0.226 0.000 2.564 214 F HA 0.387 4.914 4.527 -0.000 0.000 0.368 214 F C -0.019 175.695 175.800 -0.143 0.000 1.127 214 F CA -0.754 57.323 58.000 0.127 0.000 1.170 214 F CB 0.854 40.069 39.000 0.359 0.000 1.397 214 F HN 0.637 nan 8.300 nan 0.000 0.493 215 G N 7.163 115.273 108.800 -1.150 0.000 2.380 215 G HA2 0.425 4.384 3.960 -0.000 0.000 0.262 215 G HA3 0.425 4.384 3.960 -0.000 0.000 0.262 215 G C -0.456 173.796 174.900 -1.079 0.000 1.243 215 G CA -0.610 43.654 45.100 -1.392 0.000 0.865 215 G HN 0.752 nan 8.290 nan 0.000 0.513 216 M N 1.718 120.920 119.600 -0.662 0.000 2.819 216 M HA 0.579 5.059 4.480 -0.000 0.000 0.300 216 M C -0.175 176.014 176.300 -0.184 0.000 1.237 216 M CA -1.316 53.735 55.300 -0.416 0.000 0.813 216 M CB 1.753 34.147 32.600 -0.343 0.000 1.755 216 M HN 0.460 nan 8.290 nan 0.000 0.484 217 N N 0.263 118.912 118.700 -0.084 0.000 2.364 217 N HA 0.127 4.867 4.740 -0.000 0.000 0.264 217 N C -0.294 175.197 175.510 -0.032 0.000 1.263 217 N CA -0.104 52.926 53.050 -0.034 0.000 0.959 217 N CB 0.197 38.686 38.487 0.004 0.000 1.204 217 N HN 0.790 nan 8.380 nan 0.000 0.550 218 D N -0.211 120.175 120.400 -0.022 0.000 1.409 218 D HA -0.137 4.503 4.640 -0.000 0.000 0.332 218 D C 0.349 176.651 176.300 0.003 0.000 1.243 218 D CA 1.334 55.313 54.000 -0.036 0.000 1.026 218 D CB -0.066 40.741 40.800 0.012 0.000 1.894 218 D HN 0.625 nan 8.370 nan 0.000 0.621 219 K N -1.967 118.455 120.400 0.038 0.000 3.596 219 K HA -0.169 4.151 4.320 -0.000 0.000 0.295 219 K C -0.482 176.147 176.600 0.050 0.000 1.230 219 K CA 1.210 57.527 56.287 0.050 0.000 1.029 219 K CB -1.016 31.508 32.500 0.041 0.000 1.303 219 K HN 0.390 nan 8.250 nan 0.000 0.442 220 I N -0.419 120.188 120.570 0.062 0.000 2.769 220 I HA 0.510 4.680 4.170 -0.000 0.000 0.298 220 I C -0.460 175.755 176.117 0.164 0.000 1.128 220 I CA -1.405 59.965 61.300 0.116 0.000 1.031 220 I CB 2.521 40.583 38.000 0.103 0.000 1.235 220 I HN -0.267 nan 8.210 nan 0.000 0.423 221 V N 4.395 124.426 119.914 0.194 0.000 3.040 221 V HA 0.476 4.596 4.120 -0.000 0.000 0.312 221 V C -0.045 176.176 176.094 0.212 0.000 1.115 221 V CA -0.604 61.800 62.300 0.173 0.000 0.998 221 V CB 2.508 34.405 31.823 0.124 0.000 1.042 221 V HN 0.475 nan 8.190 nan 0.000 0.433 233 T N -1.513 113.029 114.554 -0.021 0.000 2.861 233 T HA 0.438 4.788 4.350 -0.000 0.000 0.287 233 T C -0.220 174.463 174.700 -0.028 0.000 1.003 233 T CA -0.450 61.636 62.100 -0.023 0.000 0.977 233 T CB 1.091 69.943 68.868 -0.025 0.000 0.996 233 T HN 0.364 nan 8.240 nan 0.000 0.448 234 S N 3.712 119.396 115.700 -0.026 0.000 3.455 234 S HA 0.147 4.617 4.470 -0.000 0.000 0.288 234 S C 0.445 175.030 174.600 -0.026 0.000 1.231 234 S CA -0.696 57.487 58.200 -0.029 0.000 1.031 234 S CB -0.544 62.641 63.200 -0.025 0.000 1.570 234 S HN 0.996 nan 8.310 nan 0.000 0.519 235 K N 2.381 122.765 120.400 -0.027 0.000 4.597 235 K HA -0.207 4.113 4.320 -0.000 0.000 0.315 235 K C -0.671 175.926 176.600 -0.004 0.000 0.687 235 K CA 0.690 56.971 56.287 -0.009 0.000 0.807 235 K CB -1.036 31.463 32.500 -0.003 0.000 2.012 235 K HN 0.744 nan 8.250 nan 0.000 0.351 236 S N 1.079 116.774 115.700 -0.009 0.000 2.851 236 S HA 0.892 5.362 4.470 -0.000 0.000 0.313 236 S C -0.289 174.304 174.600 -0.012 0.000 1.163 236 S CA -0.427 57.768 58.200 -0.008 0.000 0.850 236 S CB 2.069 65.260 63.200 -0.015 0.000 1.245 236 S HN 1.058 nan 8.310 nan 0.000 0.558 237 G N 0.467 109.260 108.800 -0.010 0.000 2.650 237 G HA2 0.242 4.202 3.960 -0.000 0.000 0.686 237 G HA3 0.242 4.202 3.960 -0.000 0.000 0.686 237 G C -1.301 173.600 174.900 0.002 0.000 1.205 237 G CA -0.625 44.466 45.100 -0.014 0.000 0.781 237 G HN 0.667 nan 8.290 nan 0.000 0.648 238 K N 0.844 121.243 120.400 -0.002 0.000 2.582 238 K HA 0.484 4.804 4.320 -0.000 0.000 0.259 238 K C 0.312 176.911 176.600 -0.002 0.000 0.973 238 K CA -0.291 55.999 56.287 0.005 0.000 0.880 238 K CB 0.827 33.328 32.500 0.003 0.000 1.310 238 K HN 0.991 nan 8.250 nan 0.000 0.443 239 Q N 0.372 120.172 119.800 -0.001 0.000 2.475 239 Q HA -0.196 4.144 4.340 -0.000 0.000 0.280 239 Q C -1.298 174.696 176.000 -0.010 0.000 1.234 239 Q CA 1.357 57.157 55.803 -0.005 0.000 0.873 239 Q CB -1.492 27.242 28.738 -0.006 0.000 1.256 239 Q HN 0.574 nan 8.270 nan 0.000 0.475 240 S N -1.014 114.677 115.700 -0.015 0.000 2.548 240 S HA 0.739 5.209 4.470 -0.000 0.000 0.276 240 S C -0.585 173.988 174.600 -0.046 0.000 1.129 240 S CA -1.050 57.134 58.200 -0.027 0.000 0.931 240 S CB 1.563 64.745 63.200 -0.030 0.000 1.068 240 S HN 0.162 nan 8.310 nan 0.000 0.480 241 I N 3.139 123.682 120.570 -0.046 0.000 2.352 241 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 241 I C 0.860 176.920 176.117 -0.094 0.000 1.036 241 I CA -0.223 61.045 61.300 -0.053 0.000 1.336 241 I CB 0.848 38.831 38.000 -0.028 0.000 1.407 241 I HN 0.908 nan 8.210 nan 0.000 0.497 242 A N 7.846 130.577 122.820 -0.149 0.000 2.409 242 A HA 0.574 4.894 4.320 -0.000 0.000 0.267 242 A C -0.160 177.372 177.584 -0.088 0.000 1.127 242 A CA -0.287 51.613 52.037 -0.227 0.000 0.795 242 A CB -0.451 18.257 19.000 -0.487 0.000 1.061 242 A HN 0.644 nan 8.150 nan 0.000 0.502 243 I N 0.014 120.548 120.570 -0.059 0.000 2.441 243 I HA 0.579 4.749 4.170 -0.000 0.000 0.295 243 I C -0.693 175.441 176.117 0.028 0.000 0.994 243 I CA -0.909 60.390 61.300 -0.001 0.000 1.144 243 I CB 1.387 39.390 38.000 0.005 0.000 1.314 243 I HN 0.479 nan 8.210 nan 0.000 0.445 244 D N 4.033 124.471 120.400 0.064 0.000 2.400 244 D HA 0.393 5.033 4.640 -0.000 0.000 0.238 244 D C -0.379 175.977 176.300 0.095 0.000 1.157 244 D CA 0.677 54.736 54.000 0.098 0.000 0.889 244 D CB 0.502 41.376 40.800 0.124 0.000 1.199 244 D HN 0.738 nan 8.370 nan 0.000 0.436 245 D N -1.115 119.353 120.400 0.113 0.000 2.865 245 D HA 0.514 5.154 4.640 -0.000 0.000 0.343 245 D C -1.813 174.557 176.300 0.116 0.000 1.372 245 D CA -0.409 53.651 54.000 0.100 0.000 0.862 245 D CB 1.537 42.376 40.800 0.065 0.000 1.425 245 D HN 0.418 nan 8.370 nan 0.000 0.501 246 C N 0.036 119.383 119.300 0.078 0.000 3.254 246 C HA 0.656 5.116 4.460 -0.000 0.000 0.405 246 C C -1.772 173.190 174.990 -0.046 0.000 1.027 246 C CA -0.103 58.914 59.018 -0.001 0.000 1.192 246 C CB 0.756 28.488 27.740 -0.014 0.000 1.567 246 C HN 0.514 nan 8.230 nan 0.000 0.582 247 T N 5.214 119.646 114.554 -0.202 0.000 3.031 247 T HA 0.605 4.955 4.350 -0.000 0.000 0.305 247 T C -0.801 173.765 174.700 -0.223 0.000 0.985 247 T CA -0.061 61.987 62.100 -0.087 0.000 1.008 247 T CB 0.439 69.284 68.868 -0.039 0.000 1.005 247 T HN 0.409 nan 8.240 nan 0.000 0.444 248 F N 1.263 121.200 119.950 -0.022 0.000 2.377 248 F HA 0.473 5.000 4.527 -0.000 0.000 0.335 248 F C 1.248 177.052 175.800 0.007 0.000 1.099 248 F CA -1.105 56.884 58.000 -0.018 0.000 1.072 248 F CB 0.468 39.430 39.000 -0.063 0.000 1.417 248 F HN 0.461 nan 8.300 nan 0.000 0.495 249 H N 0.875 120.036 119.070 0.152 0.000 2.546 249 H HA 0.081 4.637 4.556 -0.000 0.000 0.365 249 H C 0.603 175.939 175.328 0.014 0.000 1.220 249 H CA -0.402 55.679 56.048 0.056 0.000 1.386 249 H CB 1.431 31.218 29.762 0.041 0.000 1.510 249 H HN 0.526 nan 8.280 nan 0.000 0.591 250 Q N 2.026 121.587 119.800 -0.398 0.000 2.112 250 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 250 Q C 2.454 178.422 176.000 -0.053 0.000 0.987 250 Q CA 1.723 57.396 55.803 -0.216 0.000 0.858 250 Q CB -1.272 27.279 28.738 -0.312 0.000 0.905 250 Q HN 0.692 nan 8.270 nan 0.000 0.420 251 C N -0.617 118.770 119.300 0.145 0.000 2.511 251 C HA 0.268 4.728 4.460 -0.000 0.000 0.277 251 C C 1.076 176.128 174.990 0.103 0.000 1.451 251 C CA -0.886 58.167 59.018 0.058 0.000 1.735 251 C CB -1.101 26.667 27.740 0.046 0.000 1.704 251 C HN 0.028 nan 8.230 nan 0.000 0.571 252 V N 3.260 123.229 119.914 0.092 0.000 2.408 252 V HA 0.282 4.402 4.120 -0.000 0.000 0.267 252 V C 0.542 176.625 176.094 -0.017 0.000 1.047 252 V CA 0.087 62.432 62.300 0.076 0.000 0.937 252 V CB 0.300 32.145 31.823 0.037 0.000 0.999 252 V HN 0.402 nan 8.190 nan 0.000 0.472 253 R N 5.004 125.518 120.500 0.023 0.000 2.248 253 R HA 0.281 4.620 4.340 -0.000 0.000 0.337 253 R C 0.444 176.688 176.300 -0.094 0.000 1.085 253 R CA -0.147 55.932 56.100 -0.035 0.000 0.934 253 R CB 0.722 31.023 30.300 0.002 0.000 1.034 253 R HN 0.668 nan 8.270 nan 0.000 0.465 254 L N 1.890 123.001 121.223 -0.187 0.000 2.627 254 L HA -0.024 4.316 4.340 -0.000 0.000 0.232 254 L C 2.232 179.054 176.870 -0.080 0.000 1.150 254 L CA 0.118 54.807 54.840 -0.252 0.000 0.917 254 L CB -0.185 41.642 42.059 -0.387 0.000 1.104 254 L HN 0.619 nan 8.230 nan 0.000 0.445 255 S N 1.583 117.257 115.700 -0.044 0.000 2.412 255 S HA -0.284 4.186 4.470 -0.000 0.000 0.246 255 S C 1.444 176.057 174.600 0.022 0.000 1.073 255 S CA 1.872 60.067 58.200 -0.009 0.000 1.186 255 S CB -0.029 63.168 63.200 -0.005 0.000 1.084 255 S HN 0.502 nan 8.310 nan 0.000 0.434 256 K N -0.240 120.188 120.400 0.048 0.000 2.965 256 K HA 0.220 4.540 4.320 -0.000 0.000 0.216 256 K C 0.225 176.902 176.600 0.128 0.000 1.164 256 K CA -0.279 56.048 56.287 0.067 0.000 1.153 256 K CB 0.097 32.631 32.500 0.056 0.000 1.045 256 K HN 0.349 nan 8.250 nan 0.000 0.460 257 F N 1.848 121.766 119.950 -0.055 0.000 2.456 257 F HA -0.027 4.499 4.527 -0.000 0.000 0.298 257 F C 0.868 176.640 175.800 -0.046 0.000 1.104 257 F CA 0.931 58.899 58.000 -0.054 0.000 1.435 257 F CB 0.353 39.306 39.000 -0.079 0.000 1.078 257 F HN 0.112 nan 8.300 nan 0.000 0.546 258 D N -1.053 119.306 120.400 -0.069 0.000 2.349 258 D HA 0.006 4.645 4.640 -0.000 0.000 0.224 258 D C 0.751 176.970 176.300 -0.135 0.000 1.029 258 D CA 0.453 54.360 54.000 -0.156 0.000 0.879 258 D CB 0.036 40.788 40.800 -0.080 0.000 0.906 258 D HN 0.031 nan 8.370 nan 0.000 0.528 259 S N 0.681 116.332 115.700 -0.082 0.000 2.790 259 S HA 0.128 4.598 4.470 -0.000 0.000 0.202 259 S C 0.425 174.992 174.600 -0.054 0.000 1.383 259 S CA -0.442 57.723 58.200 -0.058 0.000 1.026 259 S CB -0.127 63.066 63.200 -0.013 0.000 1.253 259 S HN -0.028 nan 8.310 nan 0.000 0.489 260 E N 0.932 121.056 120.200 -0.127 0.000 4.179 260 E HA -0.355 3.995 4.350 -0.000 0.000 0.195 260 E C 1.418 177.942 176.600 -0.127 0.000 1.268 260 E CA 2.696 59.020 56.400 -0.127 0.000 2.263 260 E CB -1.036 28.644 29.700 -0.034 0.000 1.863 260 E HN 0.702 nan 8.360 nan 0.000 0.334 261 R N -1.230 119.282 120.500 0.020 0.000 3.643 261 R HA 0.265 4.605 4.340 -0.000 0.000 0.069 261 R C 1.125 177.547 176.300 0.204 0.000 0.766 261 R CA 1.229 57.450 56.100 0.202 0.000 2.179 261 R CB -0.477 29.826 30.300 0.005 0.000 1.514 261 R HN 0.349 nan 8.270 nan 0.000 0.455 262 S N 1.222 116.994 115.700 0.119 0.000 3.221 262 S HA -0.147 4.322 4.470 -0.000 0.000 0.376 262 S C 0.206 174.913 174.600 0.178 0.000 0.880 262 S CA 0.837 59.144 58.200 0.178 0.000 1.238 262 S CB -1.527 61.772 63.200 0.164 0.000 0.848 262 S HN 0.491 nan 8.310 nan 0.000 0.447 263 I N 2.596 123.286 120.570 0.200 0.000 2.691 263 I HA 0.034 4.204 4.170 -0.000 0.000 0.288 263 I C 0.728 177.082 176.117 0.395 0.000 1.143 263 I CA 0.302 61.738 61.300 0.228 0.000 1.364 263 I CB -0.371 37.795 38.000 0.276 0.000 1.435 263 I HN 0.134 nan 8.210 nan 0.000 0.551 264 S N 7.648 123.504 115.700 0.261 0.000 2.525 264 S HA 0.803 5.273 4.470 -0.000 0.000 0.278 264 S C -0.392 174.385 174.600 0.295 0.000 1.234 264 S CA -0.380 57.944 58.200 0.206 0.000 1.058 264 S CB 0.791 64.037 63.200 0.076 0.000 0.983 264 S HN 0.420 nan 8.310 nan 0.000 0.495 265 F N -0.256 119.725 119.950 0.051 0.000 2.773 265 F HA 0.724 5.251 4.527 -0.000 0.000 0.314 265 F C -2.144 173.660 175.800 0.005 0.000 1.160 265 F CA -1.495 56.514 58.000 0.015 0.000 0.920 265 F CB 0.709 39.734 39.000 0.041 0.000 1.323 265 F HN 0.241 nan 8.300 nan 0.000 0.457 266 I N 1.708 122.335 120.570 0.095 0.000 2.495 266 I HA 0.432 4.601 4.170 -0.000 0.000 0.277 266 I C -2.780 173.361 176.117 0.039 0.000 1.045 266 I CA -2.117 59.177 61.300 -0.009 0.000 1.135 266 I CB 1.095 39.084 38.000 -0.018 0.000 1.241 266 I HN 0.264 nan 8.210 nan 0.000 0.469 267 P HA 0.294 nan 4.420 nan 0.000 0.276 267 P C -2.478 174.732 177.300 -0.150 0.000 1.235 267 P CA -1.355 61.745 63.100 0.001 0.000 0.772 267 P CB -0.061 31.800 31.700 0.268 0.000 0.871 268 P HA -0.032 nan 4.420 nan 0.000 0.270 268 P C -0.247 177.051 177.300 -0.005 0.000 1.221 268 P CA 0.298 63.266 63.100 -0.219 0.000 0.788 268 P CB 0.287 31.752 31.700 -0.392 0.000 0.904 269 D N -0.594 119.882 120.400 0.126 0.000 2.304 269 D HA 0.447 5.087 4.640 -0.000 0.000 0.247 269 D C 0.929 177.399 176.300 0.284 0.000 1.089 269 D CA 1.103 55.249 54.000 0.242 0.000 0.910 269 D CB 0.270 41.227 40.800 0.261 0.000 1.199 269 D HN 0.623 nan 8.370 nan 0.000 0.426 270 G N 2.666 111.690 108.800 0.373 0.000 2.525 270 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.248 270 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.248 270 G C -0.249 174.791 174.900 0.233 0.000 1.238 270 G CA 0.097 45.425 45.100 0.379 0.000 0.926 270 G HN 0.785 nan 8.290 nan 0.000 0.574 271 E N 0.286 120.585 120.200 0.164 0.000 2.249 271 E HA 0.627 4.977 4.350 -0.000 0.000 0.280 271 E C -0.136 176.565 176.600 0.168 0.000 1.016 271 E CA -0.649 55.785 56.400 0.057 0.000 0.830 271 E CB 0.545 30.223 29.700 -0.037 0.000 1.081 271 E HN 1.225 nan 8.360 nan 0.000 0.395 272 F N 0.321 120.223 119.950 -0.080 0.000 2.711 272 F HA 0.436 4.963 4.527 -0.000 0.000 0.313 272 F C -1.137 174.593 175.800 -0.117 0.000 1.141 272 F CA -1.192 56.750 58.000 -0.097 0.000 0.941 272 F CB 1.301 40.183 39.000 -0.197 0.000 1.349 272 F HN 0.326 nan 8.300 nan 0.000 0.464 273 E N 2.104 122.345 120.200 0.069 0.000 2.014 273 E HA 0.211 4.561 4.350 -0.000 0.000 0.275 273 E C 0.249 176.874 176.600 0.042 0.000 0.997 273 E CA -0.470 55.900 56.400 -0.051 0.000 0.804 273 E CB 1.385 31.103 29.700 0.031 0.000 1.090 273 E HN 0.792 nan 8.360 nan 0.000 0.401 274 L N 5.874 126.942 121.223 -0.258 0.000 2.141 274 L HA 0.024 4.364 4.340 -0.000 0.000 0.209 274 L C 0.446 177.281 176.870 -0.059 0.000 1.094 274 L CA 1.547 56.297 54.840 -0.150 0.000 0.763 274 L CB -0.047 41.722 42.059 -0.484 0.000 0.908 274 L HN 0.632 nan 8.230 nan 0.000 0.437 275 M N -1.586 117.947 119.600 -0.112 0.000 2.449 275 M HA 0.381 4.861 4.480 -0.000 0.000 0.291 275 M C -0.806 175.431 176.300 -0.104 0.000 1.148 275 M CA -0.806 54.383 55.300 -0.185 0.000 0.925 275 M CB 1.691 34.080 32.600 -0.353 0.000 1.767 275 M HN -0.084 nan 8.290 nan 0.000 0.503 276 R N 2.662 123.084 120.500 -0.131 0.000 2.483 276 R HA 0.768 5.108 4.340 -0.000 0.000 0.303 276 R C -2.063 174.198 176.300 -0.065 0.000 0.987 276 R CA -0.302 55.721 56.100 -0.129 0.000 0.881 276 R CB 1.315 31.549 30.300 -0.110 0.000 1.177 276 R HN 0.848 nan 8.270 nan 0.000 0.451 277 Y N 0.704 120.939 120.300 -0.108 0.000 2.876 277 Y HA 0.693 5.243 4.550 -0.000 0.000 0.317 277 Y C -1.257 174.640 175.900 -0.006 0.000 1.369 277 Y CA -1.534 56.523 58.100 -0.071 0.000 1.101 277 Y CB 1.221 39.639 38.460 -0.072 0.000 1.346 277 Y HN 0.597 nan 8.280 nan 0.000 0.505 278 R N 0.365 121.035 120.500 0.283 0.000 2.937 278 R HA 0.432 4.772 4.340 -0.000 0.000 0.273 278 R C -2.115 174.334 176.300 0.249 0.000 1.176 278 R CA -0.380 55.849 56.100 0.215 0.000 1.132 278 R CB 1.267 31.629 30.300 0.105 0.000 1.270 278 R HN 1.024 nan 8.270 nan 0.000 0.425 279 T N 0.667 115.388 114.554 0.278 0.000 2.943 279 T HA 0.459 4.809 4.350 -0.000 0.000 0.284 279 T C 0.701 175.515 174.700 0.191 0.000 1.015 279 T CA 0.298 62.527 62.100 0.214 0.000 1.042 279 T CB 1.591 70.584 68.868 0.207 0.000 1.055 279 T HN 0.776 nan 8.240 nan 0.000 0.500 280 T N 0.091 114.735 114.554 0.150 0.000 3.087 280 T HA 0.382 4.732 4.350 -0.000 0.000 0.283 280 T C 1.065 175.823 174.700 0.096 0.000 0.956 280 T CA -0.398 61.784 62.100 0.136 0.000 0.894 280 T CB 0.170 69.102 68.868 0.107 0.000 1.160 280 T HN 0.543 nan 8.240 nan 0.000 0.532 281 K N 1.557 122.013 120.400 0.094 0.000 2.558 281 K HA 0.187 4.507 4.320 -0.000 0.000 0.191 281 K C 0.119 176.755 176.600 0.060 0.000 1.085 281 K CA 0.194 56.519 56.287 0.063 0.000 1.163 281 K CB -0.019 32.532 32.500 0.085 0.000 1.559 281 K HN 0.063 nan 8.250 nan 0.000 0.466 282 D N 1.983 122.431 120.400 0.080 0.000 2.801 282 D HA 0.121 4.761 4.640 -0.000 0.000 0.232 282 D C -0.479 175.863 176.300 0.069 0.000 1.128 282 D CA 0.328 54.365 54.000 0.063 0.000 1.003 282 D CB -0.480 40.365 40.800 0.076 0.000 1.110 282 D HN 0.174 nan 8.370 nan 0.000 0.477 283 I N 1.547 122.163 120.570 0.078 0.000 2.496 283 I HA -0.005 4.165 4.170 -0.000 0.000 0.285 283 I C 0.984 177.163 176.117 0.103 0.000 1.080 283 I CA -0.393 60.972 61.300 0.108 0.000 1.404 283 I CB 1.190 39.260 38.000 0.116 0.000 1.403 283 I HN -0.016 nan 8.210 nan 0.000 0.539 284 I N 8.014 128.665 120.570 0.135 0.000 2.213 284 I HA 0.121 4.290 4.170 -0.000 0.000 0.295 284 I C 0.172 176.428 176.117 0.232 0.000 1.172 284 I CA -0.172 61.207 61.300 0.131 0.000 1.443 284 I CB -1.067 36.980 38.000 0.079 0.000 1.491 284 I HN 0.415 nan 8.210 nan 0.000 0.652 285 L N 7.086 128.435 121.223 0.210 0.000 2.628 285 L HA -0.035 4.305 4.340 -0.000 0.000 0.274 285 L C -1.001 176.045 176.870 0.292 0.000 1.209 285 L CA -0.555 54.475 54.840 0.317 0.000 0.930 285 L CB -0.015 42.194 42.059 0.250 0.000 1.183 285 L HN 0.243 nan 8.230 nan 0.000 0.492 286 P HA -0.012 nan 4.420 nan 0.000 0.222 286 P C -0.422 176.679 177.300 -0.332 0.000 1.153 286 P CA 1.053 64.200 63.100 0.078 0.000 0.798 286 P CB 0.318 31.866 31.700 -0.253 0.000 0.796 287 F N -1.214 118.791 119.950 0.092 0.000 2.561 287 F HA 0.420 4.947 4.527 -0.000 0.000 0.313 287 F C 0.608 176.531 175.800 0.205 0.000 1.126 287 F CA -1.147 56.887 58.000 0.058 0.000 0.918 287 F CB 1.953 40.900 39.000 -0.088 0.000 1.199 287 F HN -0.472 nan 8.300 nan 0.000 0.444 288 R N 2.332 123.003 120.500 0.285 0.000 2.297 288 R HA 0.716 5.056 4.340 -0.000 0.000 0.308 288 R C -1.670 174.763 176.300 0.222 0.000 1.029 288 R CA -0.421 55.808 56.100 0.215 0.000 0.929 288 R CB 1.243 31.610 30.300 0.111 0.000 1.046 288 R HN 0.546 nan 8.270 nan 0.000 0.461 289 V N 7.032 127.064 119.914 0.197 0.000 2.370 289 V HA 0.326 4.446 4.120 -0.000 0.000 0.283 289 V C 0.080 176.242 176.094 0.114 0.000 1.023 289 V CA -0.540 61.857 62.300 0.161 0.000 0.857 289 V CB 1.492 33.416 31.823 0.168 0.000 0.985 289 V HN 0.715 nan 8.190 nan 0.000 0.443 290 I N 8.159 128.792 120.570 0.106 0.000 2.337 290 I HA 0.345 4.515 4.170 -0.000 0.000 0.285 290 I C -2.485 173.676 176.117 0.074 0.000 1.041 290 I CA -1.731 59.616 61.300 0.078 0.000 1.199 290 I CB 1.859 39.900 38.000 0.068 0.000 1.370 290 I HN 0.446 nan 8.210 nan 0.000 0.470 291 P HA 0.326 nan 4.420 nan 0.000 0.298 291 P C -0.726 176.604 177.300 0.050 0.000 1.365 291 P CA -0.334 62.803 63.100 0.061 0.000 0.835 291 P CB 0.796 32.528 31.700 0.054 0.000 0.948 292 L N 4.086 125.338 121.223 0.048 0.000 2.353 292 L HA 0.348 4.688 4.340 -0.000 0.000 0.269 292 L C 0.807 177.705 176.870 0.046 0.000 1.085 292 L CA -0.762 54.102 54.840 0.040 0.000 0.938 292 L CB 0.845 42.922 42.059 0.030 0.000 1.312 292 L HN 0.175 nan 8.230 nan 0.000 0.429 293 V N 3.562 123.512 119.914 0.060 0.000 3.641 293 V HA 0.448 4.568 4.120 -0.000 0.000 0.286 293 V C 0.009 176.139 176.094 0.060 0.000 1.027 293 V CA -0.185 62.162 62.300 0.079 0.000 1.032 293 V CB 1.687 33.581 31.823 0.117 0.000 1.238 293 V HN 0.917 nan 8.190 nan 0.000 0.439 294 R N 1.601 122.139 120.500 0.064 0.000 3.270 294 R HA 0.215 4.555 4.340 -0.000 0.000 0.299 294 R C -1.317 175.003 176.300 0.034 0.000 1.188 294 R CA -0.049 56.075 56.100 0.041 0.000 1.090 294 R CB 0.269 30.584 30.300 0.024 0.000 1.329 294 R HN 0.763 nan 8.270 nan 0.000 0.381 295 E N 3.083 123.305 120.200 0.037 0.000 1.941 295 E HA 0.129 4.479 4.350 -0.000 0.000 0.275 295 E C -0.453 176.149 176.600 0.003 0.000 1.113 295 E CA -0.361 56.052 56.400 0.021 0.000 0.878 295 E CB 1.422 31.145 29.700 0.038 0.000 1.070 295 E HN 0.345 nan 8.360 nan 0.000 0.399 296 V N 4.975 124.883 119.914 -0.011 0.000 2.223 296 V HA 0.397 4.517 4.120 -0.000 0.000 0.249 296 V C 0.530 176.611 176.094 -0.023 0.000 1.233 296 V CA 0.691 62.982 62.300 -0.016 0.000 1.131 296 V CB -1.093 30.718 31.823 -0.019 0.000 1.298 296 V HN 0.825 nan 8.190 nan 0.000 0.498 297 G N 6.609 115.399 108.800 -0.017 0.000 2.668 297 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.266 297 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.266 297 G C 0.405 175.284 174.900 -0.034 0.000 1.328 297 G CA 0.471 45.559 45.100 -0.021 0.000 0.911 297 G HN 0.811 nan 8.290 nan 0.000 0.567 298 R N -0.333 120.144 120.500 -0.038 0.000 2.310 298 R HA 0.141 4.481 4.340 -0.000 0.000 0.202 298 R C 2.693 178.951 176.300 -0.070 0.000 0.933 298 R CA 1.007 57.074 56.100 -0.056 0.000 1.054 298 R CB -0.147 30.125 30.300 -0.047 0.000 0.985 298 R HN 0.689 nan 8.270 nan 0.000 0.489 299 T N 1.148 115.668 114.554 -0.058 0.000 2.571 299 T HA -0.140 4.210 4.350 -0.000 0.000 0.255 299 T C 0.905 175.559 174.700 -0.076 0.000 1.100 299 T CA 1.040 63.104 62.100 -0.061 0.000 1.199 299 T CB 0.126 68.966 68.868 -0.046 0.000 0.870 299 T HN 0.287 nan 8.240 nan 0.000 0.399 300 K N -0.115 120.243 120.400 -0.069 0.000 2.303 300 K HA 0.656 4.976 4.320 -0.000 0.000 0.233 300 K C -1.576 174.977 176.600 -0.078 0.000 1.046 300 K CA -1.149 55.092 56.287 -0.078 0.000 0.895 300 K CB 1.473 33.934 32.500 -0.065 0.000 1.220 300 K HN 0.343 nan 8.250 nan 0.000 0.470 301 L N 1.283 122.459 121.223 -0.078 0.000 2.555 301 L HA 0.246 4.586 4.340 -0.000 0.000 0.264 301 L C -1.600 175.249 176.870 -0.035 0.000 0.972 301 L CA -0.134 54.668 54.840 -0.063 0.000 0.876 301 L CB 1.761 43.749 42.059 -0.119 0.000 1.216 301 L HN 0.820 nan 8.230 nan 0.000 0.415 302 E N 4.825 125.016 120.200 -0.014 0.000 2.081 302 E HA 0.520 4.870 4.350 -0.000 0.000 0.276 302 E C -1.287 175.320 176.600 0.012 0.000 0.950 302 E CA -0.808 55.586 56.400 -0.009 0.000 0.776 302 E CB 1.809 31.500 29.700 -0.015 0.000 1.094 302 E HN 0.355 nan 8.360 nan 0.000 0.402 303 V N 3.785 123.707 119.914 0.014 0.000 2.472 303 V HA 0.353 4.472 4.120 -0.000 0.000 0.290 303 V C -0.056 176.040 176.094 0.003 0.000 1.037 303 V CA -0.676 61.643 62.300 0.032 0.000 0.908 303 V CB 1.498 33.357 31.823 0.059 0.000 0.985 303 V HN 0.682 nan 8.190 nan 0.000 0.454 304 K N 3.505 123.911 120.400 0.011 0.000 2.397 304 K HA 0.780 5.100 4.320 -0.000 0.000 0.253 304 K C -1.889 174.722 176.600 0.019 0.000 0.932 304 K CA -0.475 55.808 56.287 -0.007 0.000 0.795 304 K CB 2.132 34.629 32.500 -0.006 0.000 1.159 304 K HN 0.470 nan 8.250 nan 0.000 0.424 305 V N 4.289 124.212 119.914 0.014 0.000 2.588 305 V HA 0.408 4.528 4.120 -0.000 0.000 0.304 305 V C -0.728 175.442 176.094 0.128 0.000 1.042 305 V CA -0.903 61.446 62.300 0.080 0.000 0.877 305 V CB 1.884 33.778 31.823 0.118 0.000 0.996 305 V HN 0.565 nan 8.190 nan 0.000 0.425 306 V N 5.899 125.899 119.914 0.144 0.000 2.667 306 V HA 0.600 4.720 4.120 -0.000 0.000 0.308 306 V C -0.248 175.963 176.094 0.195 0.000 1.048 306 V CA -0.613 61.787 62.300 0.167 0.000 0.928 306 V CB 1.955 33.843 31.823 0.109 0.000 1.004 306 V HN 0.814 nan 8.190 nan 0.000 0.444 307 I N 1.091 121.787 120.570 0.210 0.000 2.436 307 I HA 0.665 4.835 4.170 -0.000 0.000 0.289 307 I C -0.688 175.528 176.117 0.165 0.000 1.010 307 I CA -0.680 60.720 61.300 0.166 0.000 1.098 307 I CB 1.534 39.566 38.000 0.054 0.000 1.266 307 I HN 0.521 nan 8.210 nan 0.000 0.434 308 K N 5.173 125.678 120.400 0.175 0.000 2.293 308 K HA 0.406 4.726 4.320 -0.000 0.000 0.267 308 K C -0.133 176.497 176.600 0.050 0.000 1.010 308 K CA -0.456 55.879 56.287 0.080 0.000 0.875 308 K CB 1.314 33.836 32.500 0.036 0.000 1.106 308 K HN 0.890 nan 8.250 nan 0.000 0.450 309 S N 2.826 118.453 115.700 -0.121 0.000 2.565 309 S HA 0.210 4.680 4.470 -0.000 0.000 0.274 309 S C 0.008 174.189 174.600 -0.699 0.000 1.309 309 S CA -0.548 57.243 58.200 -0.681 0.000 1.043 309 S CB 0.682 63.383 63.200 -0.831 0.000 0.939 309 S HN 0.777 nan 8.310 nan 0.000 0.504 310 N N 0.260 118.458 118.700 -0.836 0.000 2.471 310 N HA 0.214 4.954 4.740 -0.000 0.000 0.270 310 N C -0.656 174.615 175.510 -0.399 0.000 1.490 310 N CA -0.736 52.020 53.050 -0.490 0.000 0.850 310 N CB -0.640 37.704 38.487 -0.239 0.000 1.411 310 N HN 0.586 nan 8.380 nan 0.000 0.488 311 F N -0.469 119.304 119.950 -0.295 0.000 2.291 311 F HA 0.589 5.116 4.527 -0.000 0.000 0.305 311 F C 1.160 176.796 175.800 -0.272 0.000 1.171 311 F CA -1.537 56.237 58.000 -0.376 0.000 1.090 311 F CB 0.417 39.147 39.000 -0.450 0.000 1.436 311 F HN -0.239 nan 8.300 nan 0.000 0.509 312 K N 0.750 121.121 120.400 -0.049 0.000 2.414 312 K HA 0.133 4.453 4.320 -0.000 0.000 0.272 312 K C -1.982 174.626 176.600 0.012 0.000 0.993 312 K CA -1.071 55.182 56.287 -0.057 0.000 0.964 312 K CB 0.527 32.981 32.500 -0.076 0.000 0.925 312 K HN 0.243 nan 8.250 nan 0.000 0.487 313 P HA -0.045 nan 4.420 nan 0.000 0.221 313 P C -0.057 177.265 177.300 0.037 0.000 1.150 313 P CA 0.886 63.979 63.100 -0.012 0.000 0.800 313 P CB 0.366 32.047 31.700 -0.031 0.000 0.787 314 S N -0.554 115.166 115.700 0.034 0.000 2.660 314 S HA 0.087 4.557 4.470 -0.000 0.000 0.228 314 S C 0.578 175.218 174.600 0.067 0.000 0.966 314 S CA 0.421 58.645 58.200 0.040 0.000 0.940 314 S CB -1.061 62.152 63.200 0.022 0.000 0.773 314 S HN 0.047 nan 8.310 nan 0.000 0.535 315 L N -2.126 119.166 121.223 0.115 0.000 2.469 315 L HA 0.637 4.977 4.340 -0.000 0.000 0.256 315 L C -1.015 175.972 176.870 0.195 0.000 1.006 315 L CA -0.861 54.056 54.840 0.129 0.000 0.832 315 L CB 0.889 43.011 42.059 0.106 0.000 1.421 315 L HN -0.179 nan 8.230 nan 0.000 0.410 316 L N 1.941 123.233 121.223 0.115 0.000 2.319 316 L HA 0.827 5.167 4.340 -0.000 0.000 0.281 316 L C 0.271 177.167 176.870 0.043 0.000 1.005 316 L CA -0.609 54.306 54.840 0.124 0.000 0.828 316 L CB 1.724 43.831 42.059 0.080 0.000 1.227 316 L HN 1.066 nan 8.230 nan 0.000 0.415 317 A N 4.688 127.573 122.820 0.109 0.000 2.386 317 A HA 0.540 4.859 4.320 -0.000 0.000 0.248 317 A C -0.222 177.416 177.584 0.090 0.000 1.082 317 A CA -0.042 52.032 52.037 0.062 0.000 0.789 317 A CB 0.793 19.983 19.000 0.316 0.000 1.025 317 A HN 0.817 nan 8.150 nan 0.000 0.490 318 Q N -0.577 119.259 119.800 0.060 0.000 2.683 318 Q HA 0.425 4.765 4.340 -0.000 0.000 0.302 318 Q C -0.941 175.070 176.000 0.018 0.000 1.042 318 Q CA -1.135 54.687 55.803 0.030 0.000 0.773 318 Q CB 1.582 30.326 28.738 0.009 0.000 1.508 318 Q HN 0.718 nan 8.270 nan 0.000 0.459 319 K N 0.826 121.219 120.400 -0.012 0.000 3.177 319 K HA -0.201 4.119 4.320 -0.000 0.000 0.266 319 K C -0.771 175.801 176.600 -0.046 0.000 0.937 319 K CA 0.336 56.604 56.287 -0.032 0.000 0.702 319 K CB -1.453 31.027 32.500 -0.033 0.000 1.365 319 K HN 0.398 nan 8.250 nan 0.000 0.466 320 I N 1.350 121.871 120.570 -0.081 0.000 2.371 320 I HA 0.085 4.255 4.170 -0.000 0.000 0.290 320 I C 0.623 176.619 176.117 -0.201 0.000 1.028 320 I CA 0.083 61.289 61.300 -0.156 0.000 1.345 320 I CB 0.912 38.751 38.000 -0.269 0.000 1.407 320 I HN 0.133 nan 8.210 nan 0.000 0.501 321 E N 5.177 125.272 120.200 -0.176 0.000 2.266 321 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 321 E C -1.449 175.075 176.600 -0.128 0.000 0.879 321 E CA -0.757 55.559 56.400 -0.139 0.000 0.762 321 E CB 3.178 32.835 29.700 -0.073 0.000 1.199 321 E HN 0.222 nan 8.360 nan 0.000 0.422 322 V N 2.830 122.707 119.914 -0.061 0.000 2.483 322 V HA 0.360 4.480 4.120 -0.000 0.000 0.297 322 V C -0.380 175.793 176.094 0.132 0.000 1.027 322 V CA -0.699 61.628 62.300 0.045 0.000 0.855 322 V CB 1.708 33.605 31.823 0.123 0.000 0.995 322 V HN 0.537 nan 8.190 nan 0.000 0.424 323 R N 4.809 125.368 120.500 0.099 0.000 2.278 323 R HA 0.552 4.891 4.340 -0.000 0.000 0.322 323 R C -1.149 175.214 176.300 0.106 0.000 1.058 323 R CA -0.604 55.553 56.100 0.094 0.000 0.991 323 R CB 0.489 30.820 30.300 0.051 0.000 1.140 323 R HN 0.634 nan 8.270 nan 0.000 0.518 324 I N 7.282 127.934 120.570 0.136 0.000 2.379 324 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 324 I C -1.759 174.451 176.117 0.154 0.000 1.063 324 I CA -2.175 59.208 61.300 0.138 0.000 1.351 324 I CB 1.068 39.157 38.000 0.148 0.000 1.410 324 I HN 0.434 nan 8.210 nan 0.000 0.505 325 P HA 0.140 nan 4.420 nan 0.000 0.276 325 P C -0.532 176.993 177.300 0.375 0.000 1.230 325 P CA -0.316 62.901 63.100 0.195 0.000 0.776 325 P CB 0.695 32.456 31.700 0.101 0.000 0.888 326 T N 0.545 115.321 114.554 0.371 0.000 2.945 326 T HA 0.542 4.891 4.350 -0.000 0.000 0.286 326 T C -2.630 172.296 174.700 0.376 0.000 1.025 326 T CA -2.774 59.550 62.100 0.373 0.000 1.039 326 T CB 0.500 69.570 68.868 0.337 0.000 1.068 326 T HN 0.134 nan 8.240 nan 0.000 0.497 327 P HA 0.110 nan 4.420 nan 0.000 0.269 327 P C 0.938 178.224 177.300 -0.025 0.000 1.217 327 P CA -0.530 62.368 63.100 -0.337 0.000 0.783 327 P CB 0.388 31.662 31.700 -0.710 0.000 0.898 328 L N 1.622 122.848 121.223 0.005 0.000 2.217 328 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 328 L C 1.400 178.271 176.870 0.002 0.000 1.107 328 L CA 1.814 56.681 54.840 0.046 0.000 0.783 328 L CB -1.261 40.838 42.059 0.067 0.000 0.919 328 L HN 0.535 nan 8.230 nan 0.000 0.442 329 N N -0.731 117.932 118.700 -0.062 0.000 2.389 329 N HA -0.042 4.698 4.740 -0.000 0.000 0.237 329 N C 0.117 175.576 175.510 -0.085 0.000 1.148 329 N CA -0.094 52.916 53.050 -0.065 0.000 0.854 329 N CB -0.505 37.935 38.487 -0.078 0.000 1.115 329 N HN -0.029 nan 8.380 nan 0.000 0.492 330 T N 0.662 115.176 114.554 -0.065 0.000 2.930 330 T HA 0.121 4.471 4.350 -0.000 0.000 0.306 330 T C 1.251 175.900 174.700 -0.085 0.000 1.045 330 T CA 0.233 62.280 62.100 -0.088 0.000 1.134 330 T CB 1.064 69.908 68.868 -0.040 0.000 0.961 330 T HN 0.515 nan 8.240 nan 0.000 0.545 331 S N 0.871 116.495 115.700 -0.126 0.000 2.651 331 S HA 0.458 4.928 4.470 -0.000 0.000 0.259 331 S C 0.562 175.074 174.600 -0.148 0.000 1.073 331 S CA 0.056 58.191 58.200 -0.107 0.000 1.090 331 S CB 0.705 63.856 63.200 -0.081 0.000 1.042 331 S HN 0.972 nan 8.310 nan 0.000 0.581 332 G N 0.431 109.113 108.800 -0.197 0.000 2.742 332 G HA2 0.581 4.541 3.960 -0.000 0.000 0.296 332 G HA3 0.581 4.541 3.960 -0.000 0.000 0.296 332 G C -1.961 172.788 174.900 -0.251 0.000 1.436 332 G CA -0.526 44.450 45.100 -0.206 0.000 0.928 332 G HN 0.569 nan 8.290 nan 0.000 0.520 333 V N 2.189 121.946 119.914 -0.262 0.000 2.711 333 V HA 0.669 4.789 4.120 -0.000 0.000 0.304 333 V C -0.816 175.193 176.094 -0.141 0.000 1.097 333 V CA -0.800 61.361 62.300 -0.232 0.000 0.906 333 V CB 1.709 33.315 31.823 -0.362 0.000 1.015 333 V HN 1.026 nan 8.190 nan 0.000 0.427 334 Q N 4.482 124.222 119.800 -0.101 0.000 2.305 334 Q HA 0.811 5.151 4.340 -0.000 0.000 0.271 334 Q C -1.386 174.571 176.000 -0.073 0.000 1.046 334 Q CA -0.624 55.134 55.803 -0.075 0.000 0.798 334 Q CB 2.712 31.412 28.738 -0.065 0.000 1.286 334 Q HN 0.807 nan 8.270 nan 0.000 0.435 335 V N -0.027 119.842 119.914 -0.074 0.000 3.166 335 V HA 0.811 4.931 4.120 -0.000 0.000 0.317 335 V C -0.778 175.251 176.094 -0.108 0.000 1.136 335 V CA -0.957 61.280 62.300 -0.105 0.000 1.035 335 V CB 1.741 33.485 31.823 -0.131 0.000 1.110 335 V HN 0.752 nan 8.190 nan 0.000 0.450 336 I N 1.215 121.697 120.570 -0.147 0.000 2.542 336 I HA 0.401 4.571 4.170 -0.000 0.000 0.278 336 I C -0.500 175.506 176.117 -0.185 0.000 1.069 336 I CA 0.175 61.399 61.300 -0.125 0.000 1.100 336 I CB 1.126 39.072 38.000 -0.090 0.000 1.204 336 I HN 0.658 nan 8.210 nan 0.000 0.470 337 C N 6.231 125.424 119.300 -0.179 0.000 2.347 337 C HA 0.390 4.850 4.460 -0.000 0.000 0.353 337 C C 1.734 176.708 174.990 -0.026 0.000 1.273 337 C CA -0.585 58.309 59.018 -0.207 0.000 1.861 337 C CB 0.379 28.028 27.740 -0.151 0.000 2.420 337 C HN 0.695 nan 8.230 nan 0.000 0.542 338 M N 2.207 121.825 119.600 0.029 0.000 2.294 338 M HA 0.068 4.548 4.480 -0.000 0.000 0.257 338 M C 1.201 177.599 176.300 0.164 0.000 1.151 338 M CA 1.394 56.753 55.300 0.099 0.000 1.088 338 M CB -1.195 31.475 32.600 0.117 0.000 1.168 338 M HN 0.544 nan 8.290 nan 0.000 0.463 339 K N 0.312 120.860 120.400 0.247 0.000 2.219 339 K HA 0.375 4.695 4.320 -0.000 0.000 0.258 339 K C 0.413 177.217 176.600 0.340 0.000 1.008 339 K CA 0.570 56.990 56.287 0.221 0.000 0.928 339 K CB 0.044 32.637 32.500 0.155 0.000 0.983 339 K HN 0.604 nan 8.250 nan 0.000 0.484 340 G N 1.325 110.258 108.800 0.223 0.000 2.796 340 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.226 340 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.226 340 G C -0.912 174.165 174.900 0.295 0.000 1.381 340 G CA -0.190 45.057 45.100 0.245 0.000 0.867 340 G HN 0.561 nan 8.290 nan 0.000 0.552 341 K N -0.777 119.789 120.400 0.277 0.000 2.395 341 K HA 0.834 5.154 4.320 -0.000 0.000 0.247 341 K C -0.172 176.598 176.600 0.284 0.000 0.973 341 K CA 0.011 56.428 56.287 0.217 0.000 0.828 341 K CB 1.936 34.509 32.500 0.122 0.000 1.272 341 K HN 1.773 nan 8.250 nan 0.000 0.439 342 A N 2.229 125.153 122.820 0.172 0.000 2.475 342 A HA 0.650 4.970 4.320 -0.000 0.000 0.301 342 A C -1.742 175.906 177.584 0.107 0.000 1.059 342 A CA -0.920 51.215 52.037 0.163 0.000 0.710 342 A CB 1.191 20.236 19.000 0.075 0.000 1.288 342 A HN 0.684 nan 8.150 nan 0.000 0.408 343 K N 1.059 121.528 120.400 0.114 0.000 2.375 343 K HA 0.568 4.888 4.320 -0.000 0.000 0.249 343 K C -1.577 175.105 176.600 0.138 0.000 0.942 343 K CA -0.656 55.694 56.287 0.105 0.000 0.806 343 K CB 2.075 34.619 32.500 0.072 0.000 1.227 343 K HN 0.595 nan 8.250 nan 0.000 0.430 344 Y N 1.663 121.978 120.300 0.025 0.000 2.299 344 Y HA 0.240 4.790 4.550 -0.000 0.000 0.326 344 Y C -0.614 175.301 175.900 0.026 0.000 1.164 344 Y CA -0.148 57.967 58.100 0.025 0.000 1.234 344 Y CB 1.287 39.755 38.460 0.013 0.000 1.219 344 Y HN 0.585 nan 8.280 nan 0.000 0.497 345 K N 5.533 125.498 120.400 -0.726 0.000 2.842 345 K HA 0.398 4.718 4.320 -0.000 0.000 0.176 345 K C 0.324 176.520 176.600 -0.674 0.000 1.080 345 K CA -0.023 55.969 56.287 -0.493 0.000 0.954 345 K CB 0.860 33.223 32.500 -0.228 0.000 1.203 345 K HN 0.847 nan 8.250 nan 0.000 0.611 346 A N 0.781 123.141 122.820 -0.767 0.000 2.024 346 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 346 A C 1.896 179.383 177.584 -0.162 0.000 1.164 346 A CA 1.775 53.596 52.037 -0.361 0.000 0.643 346 A CB -0.266 18.775 19.000 0.068 0.000 0.806 346 A HN 0.555 nan 8.150 nan 0.000 0.451 347 S N 0.493 116.110 115.700 -0.138 0.000 2.426 347 S HA -0.271 4.199 4.470 -0.000 0.000 0.253 347 S C 1.394 175.948 174.600 -0.076 0.000 1.104 347 S CA 1.930 60.081 58.200 -0.082 0.000 1.158 347 S CB -0.364 62.791 63.200 -0.075 0.000 1.043 347 S HN 0.959 nan 8.310 nan 0.000 0.443 348 E N -0.142 119.991 120.200 -0.111 0.000 3.105 348 E HA 0.214 4.564 4.350 -0.000 0.000 0.198 348 E C -0.684 175.872 176.600 -0.074 0.000 0.976 348 E CA -0.442 55.914 56.400 -0.072 0.000 1.219 348 E CB -0.440 29.226 29.700 -0.056 0.000 1.081 348 E HN 0.243 nan 8.360 nan 0.000 0.464 349 N N 0.783 119.418 118.700 -0.109 0.000 2.696 349 N HA -0.195 4.545 4.740 -0.000 0.000 0.256 349 N C -0.985 174.526 175.510 0.001 0.000 1.031 349 N CA 1.295 54.321 53.050 -0.040 0.000 0.730 349 N CB -0.896 37.624 38.487 0.056 0.000 0.894 349 N HN 0.666 nan 8.380 nan 0.000 0.544 350 A N -0.011 122.748 122.820 -0.103 0.000 2.583 350 A HA 0.572 4.892 4.320 -0.000 0.000 0.292 350 A C -0.376 177.216 177.584 0.014 0.000 1.045 350 A CA -0.696 51.357 52.037 0.027 0.000 0.672 350 A CB 0.937 19.963 19.000 0.043 0.000 1.283 350 A HN 0.151 nan 8.150 nan 0.000 0.419 351 I N 1.134 121.798 120.570 0.158 0.000 2.441 351 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 351 I C -0.498 175.698 176.117 0.131 0.000 1.049 351 I CA -0.350 61.053 61.300 0.172 0.000 1.381 351 I CB 1.378 39.484 38.000 0.176 0.000 1.409 351 I HN 0.296 nan 8.210 nan 0.000 0.523 352 V N 6.611 126.599 119.914 0.123 0.000 2.304 352 V HA 0.165 4.285 4.120 -0.000 0.000 0.278 352 V C -0.674 175.552 176.094 0.219 0.000 1.018 352 V CA -0.539 61.841 62.300 0.134 0.000 0.814 352 V CB 1.016 32.880 31.823 0.068 0.000 1.021 352 V HN 0.604 nan 8.190 nan 0.000 0.440 353 W N 6.528 127.837 121.300 0.014 0.000 2.331 353 W HA 0.508 5.168 4.660 -0.000 0.000 0.306 353 W C -0.122 176.394 176.519 -0.005 0.000 1.162 353 W CA -1.448 55.903 57.345 0.009 0.000 1.232 353 W CB 0.813 30.279 29.460 0.011 0.000 1.235 353 W HN 0.396 nan 8.180 nan 0.000 0.479 354 K N 7.565 128.013 120.400 0.080 0.000 2.244 354 K HA 0.480 4.800 4.320 -0.000 0.000 0.260 354 K C -0.571 175.890 176.600 -0.232 0.000 0.951 354 K CA -0.844 55.372 56.287 -0.119 0.000 0.826 354 K CB 1.975 34.461 32.500 -0.023 0.000 1.108 354 K HN 0.242 nan 8.250 nan 0.000 0.433 355 I N 2.805 123.170 120.570 -0.342 0.000 2.441 355 I HA 0.153 4.323 4.170 -0.000 0.000 0.295 355 I C 0.995 177.031 176.117 -0.136 0.000 0.994 355 I CA -0.698 60.440 61.300 -0.270 0.000 1.144 355 I CB 1.780 39.540 38.000 -0.400 0.000 1.314 355 I HN 0.552 nan 8.210 nan 0.000 0.445 356 K N 5.489 125.851 120.400 -0.064 0.000 2.116 356 K HA 0.052 4.372 4.320 -0.000 0.000 0.203 356 K C 0.201 176.789 176.600 -0.019 0.000 1.052 356 K CA 1.398 57.666 56.287 -0.031 0.000 0.952 356 K CB 0.369 32.865 32.500 -0.006 0.000 0.729 356 K HN 0.778 nan 8.250 nan 0.000 0.446 357 R N -0.610 119.884 120.500 -0.009 0.000 2.644 357 R HA 0.356 4.695 4.340 -0.000 0.000 0.257 357 R C -1.333 174.994 176.300 0.045 0.000 1.082 357 R CA -0.755 55.361 56.100 0.026 0.000 0.927 357 R CB 0.466 30.785 30.300 0.033 0.000 1.258 357 R HN 0.098 nan 8.270 nan 0.000 0.459 358 M N 0.939 120.599 119.600 0.101 0.000 2.365 358 M HA 0.781 5.261 4.480 -0.000 0.000 0.287 358 M C -1.414 174.997 176.300 0.185 0.000 1.154 358 M CA -0.706 54.664 55.300 0.118 0.000 0.941 358 M CB 2.549 35.210 32.600 0.102 0.000 1.704 358 M HN 0.787 nan 8.290 nan 0.000 0.479 359 A N 1.839 124.732 122.820 0.121 0.000 2.259 359 A HA 0.838 5.158 4.320 -0.000 0.000 0.278 359 A C 0.499 178.091 177.584 0.013 0.000 1.107 359 A CA -0.141 51.980 52.037 0.140 0.000 0.828 359 A CB 0.033 19.078 19.000 0.076 0.000 1.111 359 A HN 1.168 nan 8.150 nan 0.000 0.498 360 G N -0.962 107.834 108.800 -0.006 0.000 2.442 360 G HA2 0.461 4.421 3.960 -0.000 0.000 0.249 360 G HA3 0.461 4.421 3.960 -0.000 0.000 0.249 360 G C 0.393 175.087 174.900 -0.343 0.000 1.263 360 G CA 0.048 44.864 45.100 -0.474 0.000 0.846 360 G HN 0.943 nan 8.290 nan 0.000 0.555 361 M N -0.670 118.659 119.600 -0.452 0.000 2.921 361 M HA -0.122 4.358 4.480 -0.000 0.000 0.206 361 M C 0.337 176.537 176.300 -0.166 0.000 0.574 361 M CA 1.124 56.269 55.300 -0.259 0.000 0.746 361 M CB -2.071 30.424 32.600 -0.175 0.000 2.693 361 M HN 0.696 nan 8.290 nan 0.000 0.439 362 K N 0.329 120.629 120.400 -0.166 0.000 2.303 362 K HA 0.704 5.024 4.320 -0.000 0.000 0.233 362 K C -0.137 176.431 176.600 -0.053 0.000 1.046 362 K CA -0.485 55.756 56.287 -0.077 0.000 0.895 362 K CB 1.842 34.319 32.500 -0.038 0.000 1.220 362 K HN 0.246 nan 8.250 nan 0.000 0.470 363 E N -0.349 119.852 120.200 0.001 0.000 2.429 363 E HA 0.410 4.759 4.350 -0.000 0.000 0.276 363 E C -1.546 175.103 176.600 0.083 0.000 0.953 363 E CA -0.876 55.549 56.400 0.042 0.000 0.787 363 E CB 2.369 32.091 29.700 0.036 0.000 1.307 363 E HN 0.366 nan 8.360 nan 0.000 0.458 364 S N 0.134 115.916 115.700 0.137 0.000 2.625 364 S HA 0.416 4.886 4.470 -0.000 0.000 0.271 364 S C -1.796 173.001 174.600 0.327 0.000 1.161 364 S CA -0.747 57.586 58.200 0.222 0.000 0.820 364 S CB 2.166 65.517 63.200 0.252 0.000 1.137 364 S HN 0.500 nan 8.310 nan 0.000 0.470 365 Q N 1.006 121.016 119.800 0.349 0.000 2.418 365 Q HA 0.784 5.124 4.340 -0.000 0.000 0.282 365 Q C -1.987 173.903 176.000 -0.184 0.000 1.044 365 Q CA -0.650 55.238 55.803 0.141 0.000 0.813 365 Q CB 2.051 30.824 28.738 0.058 0.000 1.428 365 Q HN 0.766 nan 8.270 nan 0.000 0.402 366 I N 0.974 121.315 120.570 -0.383 0.000 2.802 366 I HA 0.583 4.753 4.170 -0.000 0.000 0.298 366 I C -1.732 174.201 176.117 -0.307 0.000 1.176 366 I CA -0.497 60.427 61.300 -0.626 0.000 1.025 366 I CB 2.569 39.812 38.000 -1.261 0.000 1.243 366 I HN 0.679 nan 8.210 nan 0.000 0.424 367 S N 5.915 121.466 115.700 -0.248 0.000 2.779 367 S HA 0.751 5.221 4.470 -0.000 0.000 0.293 367 S C -0.651 173.877 174.600 -0.120 0.000 1.150 367 S CA -0.566 57.552 58.200 -0.138 0.000 1.057 367 S CB 1.503 64.644 63.200 -0.097 0.000 1.021 367 S HN 0.786 nan 8.310 nan 0.000 0.485 368 A N 2.713 125.480 122.820 -0.088 0.000 2.324 368 A HA 0.730 5.050 4.320 -0.000 0.000 0.330 368 A C -0.170 177.383 177.584 -0.051 0.000 1.165 368 A CA -0.647 51.349 52.037 -0.068 0.000 0.813 368 A CB 0.716 19.691 19.000 -0.042 0.000 1.197 368 A HN 0.708 nan 8.150 nan 0.000 0.484 369 E N 1.473 121.638 120.200 -0.059 0.000 2.171 369 E HA 0.508 4.858 4.350 -0.000 0.000 0.271 369 E C -1.267 175.288 176.600 -0.075 0.000 0.916 369 E CA -0.291 56.075 56.400 -0.058 0.000 0.774 369 E CB 1.702 31.368 29.700 -0.057 0.000 1.128 369 E HN 0.578 nan 8.360 nan 0.000 0.403 370 I N 2.805 123.327 120.570 -0.080 0.000 2.448 370 I HA 0.186 4.356 4.170 -0.000 0.000 0.281 370 I C -0.368 175.677 176.117 -0.120 0.000 1.027 370 I CA -0.735 60.500 61.300 -0.110 0.000 1.111 370 I CB 1.516 39.455 38.000 -0.101 0.000 1.236 370 I HN 0.289 nan 8.210 nan 0.000 0.452 371 E N 5.936 126.062 120.200 -0.125 0.000 2.344 371 E HA 0.398 4.748 4.350 -0.000 0.000 0.270 371 E C -0.882 175.643 176.600 -0.124 0.000 1.021 371 E CA 0.157 56.490 56.400 -0.111 0.000 0.887 371 E CB 0.869 30.509 29.700 -0.100 0.000 0.997 371 E HN 0.416 nan 8.360 nan 0.000 0.429 372 L N 3.961 125.114 121.223 -0.115 0.000 2.329 372 L HA 0.397 4.737 4.340 -0.000 0.000 0.279 372 L C -0.185 176.630 176.870 -0.092 0.000 1.014 372 L CA -1.017 53.750 54.840 -0.122 0.000 0.814 372 L CB 1.003 42.972 42.059 -0.150 0.000 1.257 372 L HN 0.347 nan 8.230 nan 0.000 0.424 373 L N 3.974 125.149 121.223 -0.081 0.000 2.485 373 L HA 0.027 4.367 4.340 -0.000 0.000 0.275 373 L C -1.209 175.626 176.870 -0.058 0.000 1.207 373 L CA -1.150 53.654 54.840 -0.060 0.000 0.855 373 L CB 0.220 42.250 42.059 -0.047 0.000 1.114 373 L HN 0.433 nan 8.230 nan 0.000 0.485 374 P HA -0.220 nan 4.420 nan 0.000 0.214 374 P C 0.512 177.789 177.300 -0.039 0.000 1.164 374 P CA 1.392 64.468 63.100 -0.040 0.000 0.942 374 P CB 0.017 31.699 31.700 -0.031 0.000 0.791 375 T N -3.766 110.769 114.554 -0.032 0.000 0.541 375 T HA -0.204 4.146 4.350 -0.000 0.000 0.774 375 T C 0.839 175.526 174.700 -0.020 0.000 0.992 375 T CA 0.721 62.805 62.100 -0.026 0.000 4.077 375 T CB -1.231 67.617 68.868 -0.033 0.000 2.303 375 T HN 0.147 nan 8.240 nan 0.000 0.398 376 N N 1.427 120.118 118.700 -0.014 0.000 2.454 376 N HA 0.199 4.939 4.740 -0.000 0.000 0.177 376 N C 0.560 176.066 175.510 -0.007 0.000 1.049 376 N CA 1.815 54.859 53.050 -0.010 0.000 0.887 376 N CB 0.195 38.679 38.487 -0.006 0.000 1.095 376 N HN 0.865 nan 8.380 nan 0.000 0.446 377 D N -2.523 117.873 120.400 -0.006 0.000 5.300 377 D HA -0.075 4.565 4.640 -0.000 0.000 0.374 377 D C -0.505 175.799 176.300 0.007 0.000 1.838 377 D CA -0.221 53.779 54.000 -0.000 0.000 1.058 377 D CB 0.035 40.838 40.800 0.005 0.000 1.481 377 D HN -0.180 nan 8.370 nan 0.000 0.678 378 K N -0.114 120.296 120.400 0.016 0.000 3.548 378 K HA -0.262 4.058 4.320 -0.000 0.000 0.310 378 K C 1.321 177.944 176.600 0.038 0.000 1.282 378 K CA 1.945 58.247 56.287 0.024 0.000 1.008 378 K CB -1.542 30.969 32.500 0.018 0.000 1.265 378 K HN 0.604 nan 8.250 nan 0.000 0.430 379 K N 1.150 121.573 120.400 0.039 0.000 1.973 379 K HA -0.166 4.154 4.320 -0.000 0.000 0.212 379 K C 1.198 177.869 176.600 0.120 0.000 1.047 379 K CA 2.513 58.839 56.287 0.064 0.000 0.937 379 K CB 0.007 32.523 32.500 0.026 0.000 0.721 379 K HN 0.258 nan 8.250 nan 0.000 0.440 380 K N -3.456 117.013 120.400 0.116 0.000 3.528 380 K HA -0.338 3.982 4.320 -0.000 0.000 0.287 380 K C 0.644 177.373 176.600 0.215 0.000 0.947 380 K CA 1.435 57.798 56.287 0.127 0.000 1.184 380 K CB -1.465 31.087 32.500 0.086 0.000 1.474 380 K HN 0.469 nan 8.250 nan 0.000 0.435 381 W N -1.039 120.267 121.300 0.011 0.000 1.530 381 W HA -0.500 4.160 4.660 -0.000 0.000 0.313 381 W C 1.417 177.944 176.519 0.013 0.000 1.794 381 W CA 4.312 61.665 57.345 0.013 0.000 2.209 381 W CB -1.779 27.689 29.460 0.015 0.000 0.947 381 W HN 1.021 nan 8.180 nan 0.000 0.457 382 A N -0.044 122.787 122.820 0.017 0.000 3.132 382 A HA -0.337 3.983 4.320 -0.000 0.000 0.266 382 A C 0.734 178.110 177.584 -0.346 0.000 1.216 382 A CA 2.783 54.747 52.037 -0.120 0.000 0.985 382 A CB -2.580 16.380 19.000 -0.066 0.000 1.102 382 A HN 1.343 nan 8.150 nan 0.000 0.833 383 R N -1.311 118.722 120.500 -0.779 0.000 4.065 383 R HA -0.073 4.267 4.340 -0.000 0.000 0.119 383 R C -1.764 174.168 176.300 -0.615 0.000 0.446 383 R CA 0.526 55.862 56.100 -1.272 0.000 0.769 383 R CB -1.449 28.006 30.300 -1.408 0.000 1.349 383 R HN 0.522 nan 8.270 nan 0.000 0.307 384 P HA 0.093 nan 4.420 nan 0.000 0.271 384 P C -2.315 174.869 177.300 -0.193 0.000 1.238 384 P CA -1.108 61.852 63.100 -0.234 0.000 0.794 384 P CB 0.014 31.622 31.700 -0.153 0.000 0.959 385 P HA 0.268 nan 4.420 nan 0.000 0.276 385 P C -0.133 177.149 177.300 -0.030 0.000 1.252 385 P CA -0.257 62.801 63.100 -0.069 0.000 0.802 385 P CB 0.319 31.994 31.700 -0.042 0.000 1.035 386 I N 0.779 121.352 120.570 0.004 0.000 2.421 386 I HA 0.056 4.226 4.170 -0.000 0.000 0.291 386 I C 0.539 176.698 176.117 0.069 0.000 1.089 386 I CA 0.065 61.395 61.300 0.050 0.000 1.354 386 I CB -0.189 37.858 38.000 0.078 0.000 1.413 386 I HN 0.291 nan 8.210 nan 0.000 0.513 387 S N 7.162 122.902 115.700 0.065 0.000 2.586 387 S HA 0.658 5.128 4.470 -0.000 0.000 0.274 387 S C -0.269 174.388 174.600 0.095 0.000 1.281 387 S CA -0.900 57.350 58.200 0.083 0.000 1.035 387 S CB 1.901 65.128 63.200 0.045 0.000 0.962 387 S HN 0.496 nan 8.310 nan 0.000 0.512 388 M N 2.145 121.830 119.600 0.143 0.000 2.644 388 M HA 0.428 4.907 4.480 -0.000 0.000 0.316 388 M C -0.870 175.408 176.300 -0.038 0.000 1.200 388 M CA -0.561 54.779 55.300 0.067 0.000 0.944 388 M CB 1.692 34.366 32.600 0.123 0.000 1.691 388 M HN 0.709 nan 8.290 nan 0.000 0.471 389 N N 1.124 119.766 118.700 -0.098 0.000 2.249 389 N HA 0.782 5.522 4.740 -0.000 0.000 0.296 389 N C -1.599 173.824 175.510 -0.145 0.000 1.051 389 N CA -0.463 52.459 53.050 -0.214 0.000 0.815 389 N CB 2.031 40.431 38.487 -0.145 0.000 1.487 389 N HN 0.522 nan 8.380 nan 0.000 0.475 390 F N -1.298 118.540 119.950 -0.188 0.000 2.817 390 F HA 0.624 5.151 4.527 -0.000 0.000 0.317 390 F C -1.373 174.342 175.800 -0.142 0.000 1.168 390 F CA -1.008 56.892 58.000 -0.167 0.000 0.911 390 F CB 1.405 40.312 39.000 -0.156 0.000 1.337 390 F HN 0.264 nan 8.300 nan 0.000 0.464 391 E N 0.876 121.229 120.200 0.255 0.000 2.314 391 E HA 0.726 5.076 4.350 -0.000 0.000 0.272 391 E C -1.855 174.764 176.600 0.031 0.000 0.884 391 E CA -1.110 55.339 56.400 0.081 0.000 0.753 391 E CB 3.011 32.701 29.700 -0.017 0.000 1.213 391 E HN 0.874 nan 8.360 nan 0.000 0.432 392 V N 0.606 120.433 119.914 -0.145 0.000 2.971 392 V HA 0.542 4.662 4.120 -0.000 0.000 0.309 392 V C -2.682 173.189 176.094 -0.371 0.000 1.130 392 V CA -2.155 59.901 62.300 -0.408 0.000 0.964 392 V CB 1.691 32.949 31.823 -0.942 0.000 1.029 392 V HN 0.574 nan 8.190 nan 0.000 0.427 393 P HA 0.296 nan 4.420 nan 0.000 0.249 393 P C -0.752 176.565 177.300 0.029 0.000 1.593 393 P CA 0.322 63.399 63.100 -0.038 0.000 0.896 393 P CB -0.797 30.916 31.700 0.021 0.000 1.581 394 F N -3.271 116.609 119.950 -0.116 0.000 2.686 394 F HA 0.794 5.321 4.527 -0.000 0.000 0.311 394 F C -1.407 174.351 175.800 -0.070 0.000 1.128 394 F CA -2.394 55.470 58.000 -0.227 0.000 0.946 394 F CB 0.672 39.513 39.000 -0.266 0.000 1.336 394 F HN -0.256 nan 8.300 nan 0.000 0.457 395 A N 2.413 125.356 122.820 0.205 0.000 2.279 395 A HA 0.635 4.955 4.320 -0.000 0.000 0.306 395 A C -2.207 175.588 177.584 0.352 0.000 1.300 395 A CA -1.667 50.514 52.037 0.241 0.000 0.925 395 A CB 0.152 19.340 19.000 0.314 0.000 1.152 395 A HN 0.626 nan 8.150 nan 0.000 0.544 396 P HA -0.190 nan 4.420 nan 0.000 0.221 396 P C 1.688 179.134 177.300 0.244 0.000 1.145 396 P CA 1.867 65.168 63.100 0.335 0.000 0.795 396 P CB 0.157 32.000 31.700 0.237 0.000 0.775 397 S N -1.765 114.074 115.700 0.232 0.000 2.419 397 S HA -0.005 4.465 4.470 -0.000 0.000 0.233 397 S C 1.899 176.595 174.600 0.159 0.000 1.016 397 S CA 1.335 59.664 58.200 0.215 0.000 0.974 397 S CB -1.357 62.020 63.200 0.294 0.000 0.786 397 S HN 0.302 nan 8.310 nan 0.000 0.492 398 G N 0.238 109.133 108.800 0.157 0.000 2.232 398 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.226 398 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.226 398 G C -0.032 174.920 174.900 0.087 0.000 0.996 398 G CA -0.063 45.093 45.100 0.093 0.000 0.626 398 G HN 0.690 nan 8.290 nan 0.000 0.509 399 L N 1.102 122.399 121.223 0.125 0.000 2.573 399 L HA 0.509 4.849 4.340 -0.000 0.000 0.290 399 L C 0.310 177.284 176.870 0.174 0.000 1.247 399 L CA 1.084 56.005 54.840 0.135 0.000 0.876 399 L CB 0.392 42.552 42.059 0.169 0.000 1.123 399 L HN 0.287 nan 8.230 nan 0.000 0.505 400 K N 3.107 123.609 120.400 0.169 0.000 2.615 400 K HA 0.420 4.740 4.320 -0.000 0.000 0.249 400 K C -1.382 175.350 176.600 0.220 0.000 0.977 400 K CA -0.639 55.772 56.287 0.207 0.000 0.833 400 K CB 1.884 34.429 32.500 0.075 0.000 1.208 400 K HN 0.346 nan 8.250 nan 0.000 0.443 401 V N 5.072 125.204 119.914 0.364 0.000 2.485 401 V HA 0.062 4.182 4.120 -0.000 0.000 0.287 401 V C 1.091 177.264 176.094 0.132 0.000 1.022 401 V CA 0.229 62.659 62.300 0.216 0.000 1.067 401 V CB 0.756 32.762 31.823 0.305 0.000 0.967 401 V HN 0.679 nan 8.190 nan 0.000 0.479 402 R N 3.772 124.250 120.500 -0.037 0.000 2.254 402 R HA 0.216 4.556 4.340 -0.000 0.000 0.193 402 R C -0.309 176.085 176.300 0.157 0.000 0.929 402 R CA 0.441 56.559 56.100 0.030 0.000 1.038 402 R CB 0.542 30.837 30.300 -0.008 0.000 1.009 402 R HN 0.846 nan 8.270 nan 0.000 0.512 403 Y N -2.708 117.634 120.300 0.071 0.000 2.717 403 Y HA 0.503 5.053 4.550 -0.000 0.000 0.345 403 Y C -1.954 174.062 175.900 0.195 0.000 1.187 403 Y CA -2.074 56.091 58.100 0.108 0.000 1.128 403 Y CB 0.594 39.096 38.460 0.070 0.000 1.360 403 Y HN -0.212 nan 8.280 nan 0.000 0.467 404 L N 2.987 124.492 121.223 0.471 0.000 2.617 404 L HA 0.523 4.863 4.340 -0.000 0.000 0.259 404 L C -1.450 175.594 176.870 0.289 0.000 0.995 404 L CA -0.924 54.172 54.840 0.426 0.000 0.899 404 L CB 1.440 43.714 42.059 0.359 0.000 1.181 404 L HN 0.804 nan 8.230 nan 0.000 0.437 405 K N 3.305 123.879 120.400 0.290 0.000 2.201 405 K HA 0.686 5.006 4.320 -0.000 0.000 0.278 405 K C -1.194 175.465 176.600 0.098 0.000 1.027 405 K CA -0.587 55.783 56.287 0.139 0.000 0.909 405 K CB 1.403 33.951 32.500 0.080 0.000 1.062 405 K HN 0.478 nan 8.250 nan 0.000 0.465 406 V N 5.632 125.582 119.914 0.060 0.000 2.370 406 V HA 0.324 4.444 4.120 -0.000 0.000 0.283 406 V C -0.763 175.357 176.094 0.044 0.000 1.023 406 V CA -0.727 61.612 62.300 0.064 0.000 0.857 406 V CB 0.819 32.706 31.823 0.106 0.000 0.985 406 V HN 0.590 nan 8.190 nan 0.000 0.443 407 F N 4.710 124.606 119.950 -0.090 0.000 2.449 407 F HA 0.736 5.263 4.527 -0.000 0.000 0.342 407 F C -0.204 175.490 175.800 -0.177 0.000 1.127 407 F CA -0.901 57.020 58.000 -0.132 0.000 0.975 407 F CB 1.638 40.576 39.000 -0.103 0.000 1.146 407 F HN 0.556 nan 8.300 nan 0.000 0.444 408 E N 8.220 128.429 120.200 0.014 0.000 2.302 408 E HA 0.476 4.826 4.350 -0.000 0.000 0.263 408 E C -2.736 173.804 176.600 -0.099 0.000 0.897 408 E CA -2.286 54.051 56.400 -0.104 0.000 0.809 408 E CB 1.924 31.309 29.700 -0.525 0.000 1.270 408 E HN 0.259 nan 8.360 nan 0.000 0.410 409 P HA 0.154 nan 4.420 nan 0.000 0.226 409 P C 0.481 177.800 177.300 0.032 0.000 1.160 409 P CA 0.381 63.573 63.100 0.153 0.000 0.837 409 P CB 0.576 32.410 31.700 0.223 0.000 0.860 410 K N 0.096 120.501 120.400 0.009 0.000 2.007 410 K HA 0.066 4.386 4.320 -0.000 0.000 0.206 410 K C 1.918 178.514 176.600 -0.008 0.000 1.047 410 K CA 1.209 57.499 56.287 0.006 0.000 0.937 410 K CB -1.113 31.397 32.500 0.017 0.000 0.718 410 K HN 0.062 nan 8.250 nan 0.000 0.438 411 L N 1.957 123.161 121.223 -0.032 0.000 2.492 411 L HA -0.002 4.338 4.340 -0.000 0.000 0.223 411 L C -0.068 176.763 176.870 -0.065 0.000 1.132 411 L CA 0.119 54.957 54.840 -0.003 0.000 0.850 411 L CB -1.034 41.087 42.059 0.102 0.000 0.966 411 L HN 0.474 nan 8.230 nan 0.000 0.454 412 N N 0.968 119.568 118.700 -0.167 0.000 2.712 412 N HA -0.294 4.446 4.740 -0.000 0.000 0.261 412 N C -0.402 175.014 175.510 -0.158 0.000 0.950 412 N CA 0.785 53.708 53.050 -0.212 0.000 0.821 412 N CB -2.220 36.186 38.487 -0.135 0.000 0.919 412 N HN 0.513 nan 8.380 nan 0.000 0.551 413 Y N -2.553 117.713 120.300 -0.056 0.000 2.346 413 Y HA 0.508 5.058 4.550 -0.000 0.000 0.330 413 Y C 1.017 176.856 175.900 -0.102 0.000 1.178 413 Y CA -1.576 56.490 58.100 -0.057 0.000 1.331 413 Y CB 0.325 38.771 38.460 -0.024 0.000 1.253 413 Y HN 0.159 nan 8.280 nan 0.000 0.529 414 S N 1.506 117.275 115.700 0.114 0.000 2.537 414 S HA -0.081 4.389 4.470 -0.000 0.000 0.286 414 S C 1.122 175.730 174.600 0.013 0.000 1.299 414 S CA -0.016 58.176 58.200 -0.013 0.000 1.067 414 S CB -0.073 63.128 63.200 0.002 0.000 0.864 414 S HN 0.925 nan 8.310 nan 0.000 0.494 415 D N 3.232 123.546 120.400 -0.143 0.000 2.228 415 D HA -0.197 4.443 4.640 -0.000 0.000 0.203 415 D C 1.301 177.582 176.300 -0.031 0.000 0.988 415 D CA 1.729 55.665 54.000 -0.106 0.000 0.864 415 D CB -0.060 40.605 40.800 -0.225 0.000 0.928 415 D HN 0.747 nan 8.370 nan 0.000 0.469 416 H N -0.375 118.681 119.070 -0.023 0.000 2.495 416 H HA 0.041 4.597 4.556 -0.000 0.000 0.287 416 H C 0.946 176.241 175.328 -0.055 0.000 1.033 416 H CA 1.100 57.124 56.048 -0.041 0.000 1.307 416 H CB 0.046 29.783 29.762 -0.041 0.000 1.401 416 H HN 0.308 nan 8.280 nan 0.000 0.555 417 D N 0.318 120.760 120.400 0.071 0.000 2.339 417 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 417 D C 0.211 176.466 176.300 -0.076 0.000 1.050 417 D CA 0.104 54.100 54.000 -0.006 0.000 0.856 417 D CB 0.701 41.501 40.800 0.000 0.000 0.922 417 D HN 0.019 nan 8.370 nan 0.000 0.518 418 V N 3.188 123.066 119.914 -0.059 0.000 2.439 418 V HA 0.007 4.127 4.120 -0.000 0.000 0.271 418 V C 0.560 176.526 176.094 -0.214 0.000 1.040 418 V CA -0.539 61.688 62.300 -0.121 0.000 1.002 418 V CB 0.551 32.349 31.823 -0.041 0.000 1.000 418 V HN -0.033 nan 8.190 nan 0.000 0.477 419 I N 5.728 126.103 120.570 -0.324 0.000 2.556 419 I HA 0.267 4.437 4.170 -0.000 0.000 0.284 419 I C 0.444 176.109 176.117 -0.754 0.000 1.114 419 I CA -0.047 60.902 61.300 -0.585 0.000 1.418 419 I CB -0.174 37.403 38.000 -0.707 0.000 1.394 419 I HN 0.617 nan 8.210 nan 0.000 0.552 420 K N 6.583 126.483 120.400 -0.833 0.000 2.541 420 K HA 0.499 4.819 4.320 -0.000 0.000 0.250 420 K C -1.731 174.506 176.600 -0.605 0.000 0.950 420 K CA -0.540 55.367 56.287 -0.633 0.000 0.805 420 K CB 2.054 34.399 32.500 -0.258 0.000 1.166 420 K HN 0.502 nan 8.250 nan 0.000 0.430 421 W N 1.558 122.738 121.300 -0.198 0.000 2.915 421 W HA 0.642 5.302 4.660 -0.000 0.000 0.337 421 W C -0.895 175.576 176.519 -0.080 0.000 1.102 421 W CA -1.239 56.039 57.345 -0.112 0.000 1.224 421 W CB 0.515 29.916 29.460 -0.097 0.000 1.416 421 W HN 0.194 nan 8.180 nan 0.000 0.503 422 V N 3.878 123.903 119.914 0.185 0.000 2.735 422 V HA 0.868 4.988 4.120 -0.000 0.000 0.310 422 V C -0.614 175.486 176.094 0.011 0.000 1.061 422 V CA -1.205 61.113 62.300 0.030 0.000 0.913 422 V CB 1.738 33.516 31.823 -0.074 0.000 1.005 422 V HN 0.804 nan 8.190 nan 0.000 0.428 423 R N 4.299 124.756 120.500 -0.070 0.000 2.744 423 R HA 0.614 4.954 4.340 -0.000 0.000 0.279 423 R C -2.148 174.082 176.300 -0.117 0.000 0.977 423 R CA -0.751 55.335 56.100 -0.023 0.000 0.906 423 R CB 1.764 32.075 30.300 0.018 0.000 1.197 423 R HN 0.644 nan 8.270 nan 0.000 0.463 424 Y N 2.571 122.889 120.300 0.030 0.000 2.331 424 Y HA 0.408 4.958 4.550 -0.000 0.000 0.338 424 Y C -0.126 175.748 175.900 -0.044 0.000 0.976 424 Y CA -1.201 56.906 58.100 0.012 0.000 1.137 424 Y CB 1.600 40.087 38.460 0.045 0.000 1.172 424 Y HN 0.371 nan 8.280 nan 0.000 0.478 425 I N 3.563 124.165 120.570 0.054 0.000 2.371 425 I HA 0.303 4.473 4.170 -0.000 0.000 0.282 425 I C 0.590 176.668 176.117 -0.064 0.000 1.031 425 I CA -0.965 60.319 61.300 -0.026 0.000 1.180 425 I CB 0.852 38.822 38.000 -0.051 0.000 1.336 425 I HN 0.795 nan 8.210 nan 0.000 0.467 426 G N 7.047 115.766 108.800 -0.134 0.000 2.504 426 G HA2 0.537 4.496 3.960 -0.000 0.000 0.326 426 G HA3 0.537 4.496 3.960 -0.000 0.000 0.326 426 G C 0.116 174.929 174.900 -0.145 0.000 1.073 426 G CA -0.584 44.413 45.100 -0.172 0.000 1.030 426 G HN 0.456 nan 8.290 nan 0.000 0.448 427 R N 1.360 121.761 120.500 -0.165 0.000 2.500 427 R HA 0.467 4.806 4.340 -0.000 0.000 0.275 427 R C 0.866 176.889 176.300 -0.462 0.000 1.051 427 R CA -0.498 55.439 56.100 -0.271 0.000 1.088 427 R CB 1.138 31.309 30.300 -0.215 0.000 1.063 427 R HN 0.576 nan 8.270 nan 0.000 0.511 428 S N 0.317 115.470 115.700 -0.912 0.000 2.549 428 S HA 0.239 4.708 4.470 -0.000 0.000 0.283 428 S C 0.683 175.047 174.600 -0.394 0.000 1.320 428 S CA -0.377 57.246 58.200 -0.961 0.000 1.058 428 S CB 1.332 63.759 63.200 -1.289 0.000 0.882 428 S HN 0.703 nan 8.310 nan 0.000 0.498 429 G N 1.968 110.647 108.800 -0.201 0.000 3.286 429 G HA2 0.368 4.328 3.960 -0.000 0.000 0.173 429 G HA3 0.368 4.328 3.960 -0.000 0.000 0.173 429 G C 0.244 175.105 174.900 -0.065 0.000 1.704 429 G CA -0.448 44.582 45.100 -0.117 0.000 1.041 429 G HN 1.189 nan 8.290 nan 0.000 0.561 430 I N -0.961 119.596 120.570 -0.020 0.000 2.291 430 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 430 I C -1.445 174.711 176.117 0.064 0.000 1.064 430 I CA -0.596 60.711 61.300 0.012 0.000 1.269 430 I CB 0.711 38.714 38.000 0.005 0.000 1.418 430 I HN 0.323 nan 8.210 nan 0.000 0.485 431 Y N 7.063 127.337 120.300 -0.044 0.000 2.919 431 Y HA 0.415 4.965 4.550 -0.000 0.000 0.341 431 Y C -0.516 175.407 175.900 0.039 0.000 1.045 431 Y CA -0.575 57.534 58.100 0.016 0.000 1.218 431 Y CB 0.587 39.081 38.460 0.056 0.000 1.137 431 Y HN 0.629 nan 8.280 nan 0.000 0.577 432 E N 2.389 122.593 120.200 0.006 0.000 2.175 432 E HA 0.349 4.699 4.350 -0.000 0.000 0.278 432 E C -0.660 175.927 176.600 -0.023 0.000 0.969 432 E CA -0.780 55.628 56.400 0.014 0.000 0.796 432 E CB 1.686 31.380 29.700 -0.010 0.000 1.104 432 E HN 0.295 nan 8.360 nan 0.000 0.395 433 T N 2.735 117.303 114.554 0.023 0.000 2.771 433 T HA 0.264 4.614 4.350 -0.000 0.000 0.281 433 T C 0.041 174.739 174.700 -0.003 0.000 0.982 433 T CA -0.676 61.430 62.100 0.010 0.000 0.978 433 T CB 0.807 69.707 68.868 0.053 0.000 0.930 433 T HN 0.237 nan 8.240 nan 0.000 0.447 434 R N 1.403 121.890 120.500 -0.021 0.000 2.537 434 R HA 0.317 4.657 4.340 -0.000 0.000 0.280 434 R C 0.513 176.797 176.300 -0.027 0.000 1.058 434 R CA -0.385 55.691 56.100 -0.038 0.000 1.057 434 R CB 0.096 30.371 30.300 -0.042 0.000 0.973 434 R HN 0.786 nan 8.270 nan 0.000 0.438 435 C N 0.000 119.269 119.300 -0.051 0.000 2.653 435 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 435 C CA 0.000 59.002 59.018 -0.026 0.000 1.963 435 C CB 0.000 27.718 27.740 -0.037 0.000 2.134 435 C HN 0.000 nan 8.230 nan 0.000 0.568