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 2bie_1_B DATA FIRST_RESID 3 DATA SEQUENCE QVFNFNAGPS ALPKPALERA QKELLNFNDT QMSVMELSHR SQSYEEVHEQ DATA SEQUENCE AQNLLRELLQ IPNDYQILFL QGGASLQFTM LPMNLLTKGT IGNYVLTGSW DATA SEQUENCE SEKALKEAKL LGETHIAAST KANSYQSIPD FSEFQLNEND AYLHITSNNT DATA SEQUENCE IYGTQYQNFP EINHAPLIAD MSSDILSRPL KVNQFGMIYA GAQKNLGPSG DATA SEQUENCE VTVVIVKKDL LXXXVEQVPT MLQYATHIKS DSLYNTPPTF SIYMLRNVLD DATA SEQUENCE WIKDLGGAEA IAKQNEEKAK IIYDTIDESN GFYVGHAEKG SRSLMNVTFN DATA SEQUENCE LRNEELNQQF LAKAKEQGFV GLNGHRSVGG CRASIYNAVP IDACIALREL DATA SEQUENCE MIQFKENA 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.654 176.000 -0.577 0.000 1.003 3 Q CA 0.000 55.556 55.803 -0.411 0.000 1.022 3 Q CB 0.000 28.520 28.738 -0.364 0.000 1.108 4 V N 3.192 122.650 119.914 -0.759 0.000 2.588 4 V HA 0.632 4.757 4.120 0.008 0.000 0.304 4 V C -1.150 174.401 176.094 -0.904 0.000 1.042 4 V CA -0.549 61.361 62.300 -0.650 0.000 0.877 4 V CB 1.507 33.138 31.823 -0.320 0.000 0.996 4 V HN 0.604 nan 8.190 nan 0.000 0.425 5 F N 2.942 122.734 119.950 -0.264 0.000 2.445 5 F HA 0.453 4.983 4.527 0.005 0.000 0.348 5 F C 0.345 176.089 175.800 -0.095 0.000 1.125 5 F CA -0.564 57.294 58.000 -0.236 0.000 0.983 5 F CB 1.468 40.248 39.000 -0.366 0.000 1.198 5 F HN 0.421 nan 8.300 nan 0.000 0.436 6 N N 3.838 122.493 118.700 -0.075 0.000 2.558 6 N HA 0.199 4.944 4.740 0.008 0.000 0.233 6 N C -0.593 174.817 175.510 -0.166 0.000 1.038 6 N CA -0.280 52.737 53.050 -0.055 0.000 0.934 6 N CB 0.035 38.478 38.487 -0.074 0.000 1.175 6 N HN 0.433 nan 8.380 nan 0.000 0.512 7 F N 0.877 120.892 119.950 0.109 0.000 2.730 7 F HA 0.308 4.839 4.527 0.006 0.000 0.295 7 F C 0.844 176.677 175.800 0.055 0.000 1.143 7 F CA -0.703 57.342 58.000 0.076 0.000 1.367 7 F CB -0.156 38.908 39.000 0.107 0.000 0.970 7 F HN 0.248 nan 8.300 nan 0.000 0.514 8 N N 0.752 119.557 118.700 0.176 0.000 2.441 8 N HA 0.076 4.821 4.740 0.008 0.000 0.251 8 N C 1.052 176.688 175.510 0.211 0.000 1.242 8 N CA 0.475 53.624 53.050 0.166 0.000 0.898 8 N CB 1.256 39.820 38.487 0.127 0.000 1.100 8 N HN 0.263 nan 8.380 nan 0.000 0.443 9 A N 0.687 123.646 122.820 0.232 0.000 2.267 9 A HA 0.405 4.729 4.320 0.008 0.000 0.213 9 A C 0.729 178.553 177.584 0.400 0.000 1.192 9 A CA 0.722 52.957 52.037 0.331 0.000 0.851 9 A CB -0.091 19.066 19.000 0.263 0.000 0.881 9 A HN 0.746 nan 8.150 nan 0.000 0.494 10 G N 0.293 109.246 108.800 0.255 0.000 2.163 10 G HA2 0.360 4.325 3.960 0.008 0.000 0.191 10 G HA3 0.360 4.325 3.960 0.008 0.000 0.191 10 G C -3.026 171.934 174.900 0.099 0.000 1.517 10 G CA -0.713 44.468 45.100 0.136 0.000 1.024 10 G HN 0.107 nan 8.290 nan 0.000 0.664 11 P HA 0.519 nan 4.420 nan 0.000 0.272 11 P C 0.386 177.729 177.300 0.071 0.000 1.243 11 P CA 0.104 63.225 63.100 0.034 0.000 0.803 11 P CB 0.731 32.442 31.700 0.017 0.000 0.974 12 S N -1.928 113.803 115.700 0.052 0.000 2.705 12 S HA 0.740 5.215 4.470 0.008 0.000 0.280 12 S C -0.811 173.806 174.600 0.028 0.000 1.174 12 S CA -0.838 57.421 58.200 0.099 0.000 0.823 12 S CB 0.835 64.181 63.200 0.243 0.000 1.162 12 S HN 0.561 nan 8.310 nan 0.000 0.487 13 A N 0.436 123.270 122.820 0.023 0.000 2.531 13 A HA 0.542 4.867 4.320 0.008 0.000 0.236 13 A C -0.256 177.271 177.584 -0.096 0.000 1.062 13 A CA -0.011 51.995 52.037 -0.053 0.000 0.760 13 A CB -0.662 18.291 19.000 -0.079 0.000 0.995 13 A HN 0.739 nan 8.150 nan 0.000 0.501 14 L N 2.283 123.413 121.223 -0.155 0.000 2.303 14 L HA 0.465 4.810 4.340 0.008 0.000 0.266 14 L C -2.257 174.385 176.870 -0.380 0.000 1.011 14 L CA -2.318 52.375 54.840 -0.244 0.000 0.818 14 L CB 2.002 43.944 42.059 -0.195 0.000 1.326 14 L HN 0.416 nan 8.230 nan 0.000 0.435 15 P HA 0.063 nan 4.420 nan 0.000 0.267 15 P C -0.155 176.845 177.300 -0.501 0.000 1.205 15 P CA -0.298 62.247 63.100 -0.925 0.000 0.765 15 P CB 0.850 31.448 31.700 -1.837 0.000 0.828 16 K N 6.583 126.784 120.400 -0.332 0.000 2.032 16 K HA -0.138 4.186 4.320 0.008 0.000 0.209 16 K C -0.964 175.558 176.600 -0.130 0.000 1.048 16 K CA 2.266 58.452 56.287 -0.169 0.000 0.927 16 K CB -1.881 30.564 32.500 -0.091 0.000 0.712 16 K HN 0.332 nan 8.250 nan 0.000 0.441 17 P HA -0.087 nan 4.420 nan 0.000 0.218 17 P C 0.757 178.028 177.300 -0.048 0.000 1.149 17 P CA 1.755 64.846 63.100 -0.014 0.000 0.817 17 P CB -0.089 31.689 31.700 0.129 0.000 0.785 18 A N -0.820 121.910 122.820 -0.150 0.000 1.930 18 A HA -0.132 4.192 4.320 0.008 0.000 0.217 18 A C 2.177 179.703 177.584 -0.097 0.000 1.175 18 A CA 1.303 53.257 52.037 -0.139 0.000 0.627 18 A CB -1.555 17.311 19.000 -0.223 0.000 0.815 18 A HN 0.119 nan 8.150 nan 0.000 0.443 19 L N -0.865 120.301 121.223 -0.095 0.000 2.072 19 L HA -0.149 4.196 4.340 0.008 0.000 0.205 19 L C 2.580 179.459 176.870 0.015 0.000 1.079 19 L CA 1.380 56.202 54.840 -0.030 0.000 0.752 19 L CB -0.446 41.583 42.059 -0.050 0.000 0.906 19 L HN 0.454 nan 8.230 nan 0.000 0.436 20 E N -0.293 119.906 120.200 -0.002 0.000 2.110 20 E HA -0.264 4.091 4.350 0.008 0.000 0.193 20 E C 2.220 178.852 176.600 0.054 0.000 0.988 20 E CA 0.931 57.345 56.400 0.023 0.000 0.804 20 E CB -0.093 29.615 29.700 0.013 0.000 0.745 20 E HN 0.307 nan 8.360 nan 0.000 0.458 21 R N 0.863 121.396 120.500 0.055 0.000 2.073 21 R HA -0.143 4.202 4.340 0.008 0.000 0.234 21 R C 2.261 178.663 176.300 0.170 0.000 1.134 21 R CA 1.386 57.543 56.100 0.094 0.000 0.952 21 R CB -0.226 30.115 30.300 0.069 0.000 0.850 21 R HN 0.148 nan 8.270 nan 0.000 0.433 22 A N 0.826 123.758 122.820 0.187 0.000 1.902 22 A HA -0.243 4.082 4.320 0.008 0.000 0.217 22 A C 2.120 179.852 177.584 0.248 0.000 1.181 22 A CA 1.574 53.809 52.037 0.330 0.000 0.623 22 A CB -0.643 18.567 19.000 0.349 0.000 0.818 22 A HN 0.606 nan 8.150 nan 0.000 0.443 23 Q N -0.271 119.622 119.800 0.156 0.000 2.050 23 Q HA -0.235 4.110 4.340 0.008 0.000 0.202 23 Q C 2.172 178.228 176.000 0.095 0.000 0.980 23 Q CA 2.040 57.906 55.803 0.106 0.000 0.840 23 Q CB -0.190 28.587 28.738 0.065 0.000 0.898 23 Q HN 0.676 nan 8.270 nan 0.000 0.424 24 K N 0.380 120.837 120.400 0.095 0.000 2.103 24 K HA -0.183 4.142 4.320 0.008 0.000 0.207 24 K C 1.261 177.915 176.600 0.091 0.000 1.048 24 K CA 1.773 58.107 56.287 0.078 0.000 0.930 24 K CB 0.027 32.570 32.500 0.072 0.000 0.716 24 K HN 0.412 nan 8.250 nan 0.000 0.444 25 E N 0.302 120.584 120.200 0.137 0.000 2.499 25 E HA -0.015 4.340 4.350 0.008 0.000 0.199 25 E C 1.403 178.091 176.600 0.145 0.000 1.016 25 E CA -0.160 56.329 56.400 0.149 0.000 0.933 25 E CB 0.147 29.972 29.700 0.209 0.000 1.050 25 E HN 0.137 nan 8.360 nan 0.000 0.462 26 L N 0.657 121.947 121.223 0.112 0.000 2.131 26 L HA -0.098 4.247 4.340 0.008 0.000 0.210 26 L C 1.889 178.778 176.870 0.032 0.000 1.092 26 L CA 1.578 56.459 54.840 0.069 0.000 0.759 26 L CB -0.015 42.071 42.059 0.045 0.000 0.903 26 L HN 0.311 nan 8.230 nan 0.000 0.435 27 L N -1.706 119.540 121.223 0.039 0.000 2.463 27 L HA 0.151 4.495 4.340 0.008 0.000 0.219 27 L C 0.317 177.214 176.870 0.044 0.000 1.088 27 L CA 0.092 54.947 54.840 0.024 0.000 0.849 27 L CB -0.098 41.970 42.059 0.014 0.000 1.012 27 L HN 0.255 nan 8.230 nan 0.000 0.468 28 N N 0.182 118.924 118.700 0.069 0.000 2.640 28 N HA 0.124 4.869 4.740 0.008 0.000 0.262 28 N C -1.449 174.124 175.510 0.105 0.000 1.174 28 N CA -0.464 52.629 53.050 0.072 0.000 0.791 28 N CB 0.652 39.161 38.487 0.036 0.000 1.279 28 N HN -0.051 nan 8.380 nan 0.000 0.535 29 F N 3.734 123.683 119.950 -0.001 0.000 2.424 29 F HA 0.361 4.893 4.527 0.007 0.000 0.356 29 F C 1.077 176.892 175.800 0.026 0.000 1.110 29 F CA -0.182 57.822 58.000 0.007 0.000 1.161 29 F CB 0.442 39.423 39.000 -0.032 0.000 1.115 29 F HN 0.582 nan 8.300 nan 0.000 0.507 30 N N 4.388 122.637 118.700 -0.751 0.000 2.727 30 N HA -0.264 4.481 4.740 0.008 0.000 0.249 30 N C -0.179 175.170 175.510 -0.269 0.000 1.048 30 N CA 1.371 54.035 53.050 -0.643 0.000 0.714 30 N CB -1.213 36.658 38.487 -1.027 0.000 0.959 30 N HN 0.843 nan 8.380 nan 0.000 0.544 31 D N -3.426 116.883 120.400 -0.152 0.000 3.059 31 D HA -0.219 4.426 4.640 0.008 0.000 0.220 31 D C 0.983 177.262 176.300 -0.035 0.000 1.169 31 D CA 1.586 55.544 54.000 -0.070 0.000 0.902 31 D CB -1.655 39.106 40.800 -0.065 0.000 1.116 31 D HN 0.775 nan 8.370 nan 0.000 0.417 32 T N -3.456 111.089 114.554 -0.015 0.000 3.088 32 T HA -0.057 4.297 4.350 0.008 0.000 0.259 32 T C 1.117 175.838 174.700 0.036 0.000 1.122 32 T CA 0.787 62.905 62.100 0.030 0.000 1.095 32 T CB 0.426 69.347 68.868 0.088 0.000 0.930 32 T HN 0.077 nan 8.240 nan 0.000 0.508 33 Q N -0.469 119.350 119.800 0.032 0.000 2.416 33 Q HA -0.132 4.212 4.340 0.008 0.000 0.235 33 Q C -0.286 175.737 176.000 0.038 0.000 0.773 33 Q CA 1.076 56.896 55.803 0.029 0.000 1.286 33 Q CB -2.385 26.363 28.738 0.017 0.000 1.556 33 Q HN 0.676 nan 8.270 nan 0.000 0.650 34 M N -0.670 118.968 119.600 0.063 0.000 2.602 34 M HA 0.429 4.914 4.480 0.008 0.000 0.312 34 M C 0.365 176.715 176.300 0.084 0.000 1.181 34 M CA -0.567 54.768 55.300 0.059 0.000 0.910 34 M CB 2.267 34.904 32.600 0.060 0.000 1.723 34 M HN 0.016 nan 8.290 nan 0.000 0.459 35 S N 0.366 116.086 115.700 0.034 0.000 2.579 35 S HA 0.089 4.564 4.470 0.008 0.000 0.275 35 S C 1.016 175.596 174.600 -0.033 0.000 1.345 35 S CA -0.426 57.776 58.200 0.004 0.000 1.031 35 S CB 1.034 64.201 63.200 -0.056 0.000 0.892 35 S HN 0.625 nan 8.310 nan 0.000 0.529 36 V N 5.582 125.392 119.914 -0.173 0.000 2.453 36 V HA -0.176 3.948 4.120 0.008 0.000 0.252 36 V C 2.008 178.003 176.094 -0.165 0.000 1.068 36 V CA 2.295 64.368 62.300 -0.378 0.000 1.070 36 V CB -0.532 30.718 31.823 -0.955 0.000 0.664 36 V HN 0.952 nan 8.190 nan 0.000 0.461 37 M N -0.906 118.628 119.600 -0.109 0.000 2.549 37 M HA -0.087 4.398 4.480 0.008 0.000 0.260 37 M C 1.491 177.740 176.300 -0.085 0.000 1.076 37 M CA 1.407 56.649 55.300 -0.098 0.000 1.090 37 M CB -0.120 32.378 32.600 -0.170 0.000 1.418 37 M HN 0.419 nan 8.290 nan 0.000 0.486 38 E N -0.137 120.026 120.200 -0.061 0.000 2.498 38 E HA 0.228 4.582 4.350 0.008 0.000 0.203 38 E C -0.215 176.378 176.600 -0.013 0.000 1.013 38 E CA -0.179 56.200 56.400 -0.036 0.000 0.927 38 E CB 0.589 30.276 29.700 -0.023 0.000 1.012 38 E HN 0.416 nan 8.360 nan 0.000 0.482 39 L N 1.344 122.561 121.223 -0.011 0.000 2.371 39 L HA 0.190 4.535 4.340 0.008 0.000 0.272 39 L C 0.678 177.554 176.870 0.011 0.000 1.124 39 L CA -0.482 54.374 54.840 0.026 0.000 0.816 39 L CB 1.234 43.338 42.059 0.074 0.000 1.129 39 L HN -0.042 nan 8.230 nan 0.000 0.448 40 S N 1.226 116.945 115.700 0.032 0.000 2.560 40 S HA -0.027 4.447 4.470 0.008 0.000 0.284 40 S C 1.306 175.931 174.600 0.042 0.000 1.327 40 S CA -0.548 57.673 58.200 0.035 0.000 1.055 40 S CB 0.359 63.554 63.200 -0.008 0.000 0.868 40 S HN 0.746 nan 8.310 nan 0.000 0.506 41 H N 4.536 123.543 119.070 -0.105 0.000 2.556 41 H HA 0.188 4.749 4.556 0.008 0.000 0.268 41 H C 1.109 176.485 175.328 0.079 0.000 0.996 41 H CA 0.463 56.448 56.048 -0.106 0.000 1.157 41 H CB -0.171 29.450 29.762 -0.235 0.000 1.355 41 H HN 0.632 nan 8.280 nan 0.000 0.597 42 R N 1.359 121.604 120.500 -0.425 0.000 2.393 42 R HA 0.098 4.443 4.340 0.008 0.000 0.244 42 R C 0.361 176.612 176.300 -0.082 0.000 0.920 42 R CA 0.279 56.208 56.100 -0.286 0.000 1.076 42 R CB 0.543 30.616 30.300 -0.378 0.000 1.119 42 R HN 0.291 nan 8.270 nan 0.000 0.524 43 S N -0.184 115.518 115.700 0.003 0.000 2.580 43 S HA -0.016 4.459 4.470 0.008 0.000 0.274 43 S C 1.069 175.716 174.600 0.077 0.000 1.329 43 S CA -0.622 57.609 58.200 0.052 0.000 1.036 43 S CB 2.004 65.258 63.200 0.090 0.000 0.919 43 S HN 0.246 nan 8.310 nan 0.000 0.515 44 Q N 2.047 121.883 119.800 0.059 0.000 2.170 44 Q HA -0.138 4.207 4.340 0.008 0.000 0.203 44 Q C 1.847 177.904 176.000 0.094 0.000 0.976 44 Q CA 1.829 57.668 55.803 0.060 0.000 0.858 44 Q CB -0.395 28.370 28.738 0.044 0.000 0.907 44 Q HN 0.888 nan 8.270 nan 0.000 0.433 45 S N -0.024 115.757 115.700 0.136 0.000 2.353 45 S HA -0.206 4.269 4.470 0.008 0.000 0.222 45 S C 1.525 176.272 174.600 0.246 0.000 1.035 45 S CA 1.487 59.821 58.200 0.223 0.000 1.025 45 S CB -0.602 62.765 63.200 0.278 0.000 0.902 45 S HN 0.578 nan 8.310 nan 0.000 0.440 46 Y N 2.181 122.552 120.300 0.118 0.000 2.220 46 Y HA -0.047 4.507 4.550 0.008 0.000 0.291 46 Y C 2.179 178.151 175.900 0.120 0.000 1.129 46 Y CA 1.446 59.597 58.100 0.085 0.000 1.161 46 Y CB -0.473 38.017 38.460 0.049 0.000 0.997 46 Y HN 0.260 nan 8.280 nan 0.000 0.522 47 E N 0.138 120.285 120.200 -0.089 0.000 2.118 47 E HA -0.251 4.104 4.350 0.008 0.000 0.195 47 E C 1.955 178.502 176.600 -0.088 0.000 0.992 47 E CA 1.575 57.899 56.400 -0.127 0.000 0.804 47 E CB -0.137 29.561 29.700 -0.004 0.000 0.741 47 E HN 0.670 nan 8.360 nan 0.000 0.458 48 E N 0.222 120.406 120.200 -0.027 0.000 2.085 48 E HA -0.172 4.182 4.350 0.008 0.000 0.194 48 E C 2.177 178.783 176.600 0.009 0.000 0.994 48 E CA 1.180 57.594 56.400 0.023 0.000 0.801 48 E CB 0.046 29.790 29.700 0.073 0.000 0.743 48 E HN 0.074 nan 8.360 nan 0.000 0.453 49 V N 0.505 120.390 119.914 -0.048 0.000 2.358 49 V HA -0.249 3.876 4.120 0.008 0.000 0.246 49 V C 2.168 178.207 176.094 -0.091 0.000 1.047 49 V CA 2.126 64.404 62.300 -0.037 0.000 1.035 49 V CB -0.539 31.259 31.823 -0.041 0.000 0.658 49 V HN 0.312 nan 8.190 nan 0.000 0.452 50 H N 0.445 119.271 119.070 -0.406 0.000 2.319 50 H HA -0.227 4.334 4.556 0.008 0.000 0.299 50 H C 2.392 177.760 175.328 0.067 0.000 1.092 50 H CA 2.374 58.323 56.048 -0.166 0.000 1.302 50 H CB 0.038 29.631 29.762 -0.282 0.000 1.373 50 H HN 0.550 nan 8.280 nan 0.000 0.497 51 E N -0.156 120.115 120.200 0.119 0.000 2.072 51 E HA -0.254 4.101 4.350 0.008 0.000 0.191 51 E C 2.323 178.953 176.600 0.051 0.000 0.985 51 E CA 1.125 57.574 56.400 0.081 0.000 0.801 51 E CB -0.106 29.635 29.700 0.068 0.000 0.750 51 E HN 0.663 nan 8.360 nan 0.000 0.452 52 Q N -0.114 119.710 119.800 0.041 0.000 2.170 52 Q HA -0.154 4.190 4.340 0.008 0.000 0.203 52 Q C 2.026 178.045 176.000 0.033 0.000 0.976 52 Q CA 1.278 57.100 55.803 0.032 0.000 0.858 52 Q CB -0.130 28.628 28.738 0.033 0.000 0.907 52 Q HN 0.367 nan 8.270 nan 0.000 0.433 53 A N 0.557 123.401 122.820 0.040 0.000 1.902 53 A HA -0.249 4.076 4.320 0.008 0.000 0.217 53 A C 1.920 179.616 177.584 0.188 0.000 1.181 53 A CA 1.602 53.676 52.037 0.061 0.000 0.623 53 A CB -0.507 18.457 19.000 -0.060 0.000 0.818 53 A HN 0.503 nan 8.150 nan 0.000 0.443 54 Q N -0.398 119.521 119.800 0.197 0.000 2.050 54 Q HA -0.170 4.175 4.340 0.008 0.000 0.202 54 Q C 1.904 177.917 176.000 0.023 0.000 0.980 54 Q CA 1.455 57.293 55.803 0.059 0.000 0.840 54 Q CB -0.242 28.439 28.738 -0.095 0.000 0.898 54 Q HN 0.625 nan 8.270 nan 0.000 0.424 55 N N 0.683 119.396 118.700 0.022 0.000 2.104 55 N HA -0.139 4.605 4.740 0.008 0.000 0.190 55 N C 1.782 177.297 175.510 0.009 0.000 1.024 55 N CA 1.065 54.121 53.050 0.011 0.000 0.853 55 N CB -0.257 38.238 38.487 0.014 0.000 1.008 55 N HN 0.208 nan 8.380 nan 0.000 0.424 56 L N 0.378 121.611 121.223 0.016 0.000 2.093 56 L HA -0.062 4.282 4.340 0.008 0.000 0.208 56 L C 2.243 179.115 176.870 0.005 0.000 1.085 56 L CA 0.578 55.422 54.840 0.007 0.000 0.755 56 L CB -0.342 41.720 42.059 0.005 0.000 0.904 56 L HN 0.121 nan 8.230 nan 0.000 0.435 57 L N -0.520 120.715 121.223 0.019 0.000 2.046 57 L HA -0.246 4.099 4.340 0.008 0.000 0.208 57 L C 2.853 179.712 176.870 -0.019 0.000 1.077 57 L CA 1.282 56.126 54.840 0.008 0.000 0.747 57 L CB -0.393 41.687 42.059 0.036 0.000 0.896 57 L HN 0.230 nan 8.230 nan 0.000 0.432 58 R N 0.079 120.568 120.500 -0.019 0.000 2.091 58 R HA -0.246 4.099 4.340 0.008 0.000 0.238 58 R C 2.261 178.545 176.300 -0.028 0.000 1.136 58 R CA 2.011 58.093 56.100 -0.030 0.000 0.959 58 R CB -0.156 30.131 30.300 -0.021 0.000 0.856 58 R HN 0.393 nan 8.270 nan 0.000 0.437 59 E N 0.220 120.409 120.200 -0.019 0.000 2.047 59 E HA -0.194 4.161 4.350 0.008 0.000 0.191 59 E C 2.033 178.619 176.600 -0.024 0.000 0.987 59 E CA 1.239 57.627 56.400 -0.018 0.000 0.799 59 E CB -0.066 29.626 29.700 -0.013 0.000 0.752 59 E HN 0.387 nan 8.360 nan 0.000 0.449 60 L N 0.389 121.598 121.223 -0.024 0.000 2.093 60 L HA -0.119 4.226 4.340 0.008 0.000 0.208 60 L C 2.320 179.171 176.870 -0.032 0.000 1.085 60 L CA 0.740 55.564 54.840 -0.027 0.000 0.755 60 L CB -0.073 41.972 42.059 -0.022 0.000 0.904 60 L HN 0.240 nan 8.230 nan 0.000 0.435 61 L N -1.096 120.102 121.223 -0.043 0.000 2.607 61 L HA 0.076 4.421 4.340 0.008 0.000 0.228 61 L C 0.352 177.182 176.870 -0.066 0.000 1.123 61 L CA 0.014 54.818 54.840 -0.060 0.000 0.890 61 L CB 0.034 42.040 42.059 -0.088 0.000 1.103 61 L HN 0.284 nan 8.230 nan 0.000 0.468 62 Q N 0.990 120.758 119.800 -0.053 0.000 2.453 62 Q HA -0.189 4.156 4.340 0.008 0.000 0.330 62 Q C -0.360 175.592 176.000 -0.080 0.000 1.417 62 Q CA 0.387 56.160 55.803 -0.049 0.000 0.902 62 Q CB -1.430 27.287 28.738 -0.034 0.000 1.154 62 Q HN 0.466 nan 8.270 nan 0.000 0.395 63 I N 1.576 122.090 120.570 -0.092 0.000 2.379 63 I HA 0.173 4.348 4.170 0.008 0.000 0.290 63 I C -1.643 174.434 176.117 -0.067 0.000 1.063 63 I CA -1.931 59.283 61.300 -0.143 0.000 1.351 63 I CB 0.363 38.285 38.000 -0.131 0.000 1.410 63 I HN 0.009 nan 8.210 nan 0.000 0.505 64 P HA 0.086 nan 4.420 nan 0.000 0.270 64 P C 0.209 177.597 177.300 0.146 0.000 1.223 64 P CA -0.261 62.886 63.100 0.079 0.000 0.785 64 P CB 0.509 32.303 31.700 0.158 0.000 0.923 65 N N 1.128 119.886 118.700 0.097 0.000 2.289 65 N HA -0.133 4.611 4.740 0.008 0.000 0.184 65 N C 0.729 176.284 175.510 0.076 0.000 1.016 65 N CA 1.169 54.260 53.050 0.069 0.000 0.872 65 N CB -0.567 37.943 38.487 0.038 0.000 0.973 65 N HN 0.567 nan 8.380 nan 0.000 0.433 66 D N -1.093 119.365 120.400 0.097 0.000 2.324 66 D HA -0.084 4.561 4.640 0.008 0.000 0.235 66 D C -0.344 175.884 176.300 -0.121 0.000 1.095 66 D CA 0.017 54.008 54.000 -0.013 0.000 0.871 66 D CB -0.606 40.159 40.800 -0.058 0.000 0.906 66 D HN 0.149 nan 8.370 nan 0.000 0.522 67 Y N 0.280 120.560 120.300 -0.033 0.000 2.446 67 Y HA 0.443 4.998 4.550 0.008 0.000 0.338 67 Y C 0.493 176.360 175.900 -0.055 0.000 1.055 67 Y CA -1.134 56.938 58.100 -0.046 0.000 1.101 67 Y CB 1.581 40.012 38.460 -0.049 0.000 1.221 67 Y HN -0.190 nan 8.280 nan 0.000 0.460 68 Q N 2.000 121.839 119.800 0.065 0.000 2.301 68 Q HA 0.682 5.027 4.340 0.008 0.000 0.267 68 Q C -1.569 174.414 176.000 -0.029 0.000 1.035 68 Q CA -0.739 55.065 55.803 0.003 0.000 0.856 68 Q CB 1.353 30.079 28.738 -0.020 0.000 1.337 68 Q HN 0.710 nan 8.270 nan 0.000 0.450 69 I N 4.234 124.736 120.570 -0.112 0.000 2.354 69 I HA 0.289 4.464 4.170 0.008 0.000 0.286 69 I C -0.855 175.031 176.117 -0.384 0.000 1.007 69 I CA -0.383 60.783 61.300 -0.224 0.000 1.167 69 I CB 0.922 38.759 38.000 -0.271 0.000 1.320 69 I HN 0.416 nan 8.210 nan 0.000 0.458 70 L N 6.216 127.272 121.223 -0.278 0.000 2.322 70 L HA 0.551 4.896 4.340 0.008 0.000 0.279 70 L C -0.852 175.898 176.870 -0.201 0.000 1.036 70 L CA -0.486 54.219 54.840 -0.225 0.000 0.807 70 L CB 1.281 43.330 42.059 -0.016 0.000 1.226 70 L HN 0.449 nan 8.230 nan 0.000 0.433 71 F N 3.881 123.830 119.950 -0.001 0.000 2.382 71 F HA 0.518 5.050 4.527 0.008 0.000 0.361 71 F C -0.093 175.696 175.800 -0.019 0.000 1.109 71 F CA -0.715 57.276 58.000 -0.016 0.000 1.031 71 F CB 1.196 40.185 39.000 -0.018 0.000 1.234 71 F HN 0.181 nan 8.300 nan 0.000 0.445 72 L N 2.880 124.166 121.223 0.105 0.000 2.319 72 L HA 0.494 4.838 4.340 0.008 0.000 0.267 72 L C -0.342 176.514 176.870 -0.024 0.000 1.011 72 L CA -1.099 53.712 54.840 -0.048 0.000 0.818 72 L CB 2.117 44.084 42.059 -0.154 0.000 1.316 72 L HN 0.532 nan 8.230 nan 0.000 0.432 73 Q N -0.091 119.679 119.800 -0.050 0.000 2.212 73 Q HA 0.502 4.847 4.340 0.008 0.000 0.238 73 Q C 0.591 176.554 176.000 -0.061 0.000 0.955 73 Q CA 0.202 55.981 55.803 -0.040 0.000 0.906 73 Q CB 1.492 30.215 28.738 -0.024 0.000 1.215 73 Q HN 0.919 nan 8.270 nan 0.000 0.478 74 G N -0.309 108.458 108.800 -0.056 0.000 2.192 74 G HA2 -0.039 3.926 3.960 0.008 0.000 0.193 74 G HA3 -0.039 3.926 3.960 0.008 0.000 0.193 74 G C 0.419 175.265 174.900 -0.090 0.000 0.999 74 G CA -0.124 44.936 45.100 -0.067 0.000 0.659 74 G HN 1.260 nan 8.290 nan 0.000 0.503 75 G N -0.749 107.995 108.800 -0.093 0.000 2.829 75 G HA2 0.300 4.265 3.960 0.008 0.000 0.628 75 G HA3 0.300 4.265 3.960 0.008 0.000 0.628 75 G C 1.178 175.971 174.900 -0.178 0.000 1.412 75 G CA 0.997 46.023 45.100 -0.124 0.000 0.864 75 G HN 1.867 nan 8.290 nan 0.000 0.544 76 A N -0.379 122.311 122.820 -0.216 0.000 1.978 76 A HA 0.128 4.452 4.320 0.008 0.000 0.220 76 A C 2.773 179.937 177.584 -0.700 0.000 1.170 76 A CA 2.875 54.749 52.037 -0.271 0.000 0.636 76 A CB -0.633 18.242 19.000 -0.209 0.000 0.810 76 A HN 1.577 nan 8.150 nan 0.000 0.448 77 S N -0.625 114.677 115.700 -0.665 0.000 2.382 77 S HA -0.134 4.341 4.470 0.008 0.000 0.228 77 S C 1.784 176.152 174.600 -0.387 0.000 1.027 77 S CA 1.378 59.139 58.200 -0.732 0.000 0.991 77 S CB -0.355 62.728 63.200 -0.195 0.000 0.823 77 S HN 0.496 nan 8.310 nan 0.000 0.469 78 L N 1.901 122.975 121.223 -0.247 0.000 2.141 78 L HA -0.045 4.300 4.340 0.008 0.000 0.209 78 L C 2.175 178.944 176.870 -0.168 0.000 1.094 78 L CA 1.580 56.332 54.840 -0.147 0.000 0.763 78 L CB -0.582 41.406 42.059 -0.117 0.000 0.908 78 L HN 0.137 nan 8.230 nan 0.000 0.437 79 Q N -0.733 118.894 119.800 -0.287 0.000 2.226 79 Q HA -0.174 4.171 4.340 0.008 0.000 0.204 79 Q C 2.278 178.176 176.000 -0.171 0.000 0.975 79 Q CA 1.663 57.249 55.803 -0.363 0.000 0.866 79 Q CB -0.508 27.730 28.738 -0.833 0.000 0.915 79 Q HN 0.614 nan 8.270 nan 0.000 0.440 80 F N -0.137 119.744 119.950 -0.114 0.000 2.202 80 F HA -0.225 4.306 4.527 0.008 0.000 0.301 80 F C 2.512 178.310 175.800 -0.003 0.000 1.082 80 F CA 1.088 59.084 58.000 -0.005 0.000 1.313 80 F CB -0.022 39.023 39.000 0.075 0.000 1.024 80 F HN 0.134 nan 8.300 nan 0.000 0.495 81 T N -0.624 114.026 114.554 0.161 0.000 3.033 81 T HA -0.042 4.313 4.350 0.008 0.000 0.248 81 T C 1.804 176.527 174.700 0.039 0.000 1.040 81 T CA 0.233 62.388 62.100 0.092 0.000 1.133 81 T CB -0.048 68.861 68.868 0.068 0.000 0.895 81 T HN 0.178 nan 8.240 nan 0.000 0.465 82 M N 0.641 120.228 119.600 -0.023 0.000 2.159 82 M HA 0.006 4.490 4.480 0.008 0.000 0.263 82 M C 1.955 178.271 176.300 0.027 0.000 1.063 82 M CA 1.310 56.555 55.300 -0.092 0.000 1.110 82 M CB -0.153 32.307 32.600 -0.234 0.000 1.374 82 M HN 0.370 nan 8.290 nan 0.000 0.411 83 L N 1.480 122.760 121.223 0.094 0.000 1.976 83 L HA -0.046 4.299 4.340 0.008 0.000 0.209 83 L C -0.997 175.937 176.870 0.106 0.000 1.071 83 L CA 2.091 57.002 54.840 0.119 0.000 0.746 83 L CB -1.992 40.030 42.059 -0.061 0.000 0.890 83 L HN 0.119 nan 8.230 nan 0.000 0.432 84 P HA -0.179 nan 4.420 nan 0.000 0.218 84 P C 1.964 179.363 177.300 0.164 0.000 1.149 84 P CA 1.772 65.017 63.100 0.242 0.000 0.817 84 P CB -0.217 31.648 31.700 0.274 0.000 0.785 85 M N -0.864 118.799 119.600 0.105 0.000 2.213 85 M HA -0.125 4.360 4.480 0.008 0.000 0.263 85 M C 1.861 178.204 176.300 0.071 0.000 1.062 85 M CA 1.537 56.875 55.300 0.064 0.000 1.105 85 M CB -0.538 32.069 32.600 0.012 0.000 1.385 85 M HN 0.022 nan 8.290 nan 0.000 0.417 86 N N -0.542 118.225 118.700 0.110 0.000 2.402 86 N HA 0.082 4.827 4.740 0.008 0.000 0.174 86 N C 1.489 177.083 175.510 0.140 0.000 1.027 86 N CA 0.925 54.057 53.050 0.136 0.000 0.891 86 N CB 0.567 39.215 38.487 0.268 0.000 1.016 86 N HN 0.344 nan 8.380 nan 0.000 0.439 87 L N 0.367 121.691 121.223 0.169 0.000 2.672 87 L HA 0.219 4.564 4.340 0.008 0.000 0.236 87 L C 0.038 177.037 176.870 0.216 0.000 1.092 87 L CA -0.056 54.893 54.840 0.182 0.000 0.887 87 L CB 0.560 42.740 42.059 0.202 0.000 1.168 87 L HN 0.019 nan 8.230 nan 0.000 0.502 88 L N 2.342 123.708 121.223 0.239 0.000 2.387 88 L HA 0.210 4.555 4.340 0.008 0.000 0.267 88 L C 0.570 177.502 176.870 0.103 0.000 1.197 88 L CA 0.120 55.070 54.840 0.184 0.000 1.070 88 L CB -0.143 42.049 42.059 0.222 0.000 1.349 88 L HN 0.059 nan 8.230 nan 0.000 0.422 89 T N 0.572 115.170 114.554 0.074 0.000 2.927 89 T HA 0.321 4.676 4.350 0.008 0.000 0.281 89 T C 0.175 174.895 174.700 0.034 0.000 0.998 89 T CA -0.965 61.165 62.100 0.050 0.000 1.019 89 T CB 0.948 69.841 68.868 0.043 0.000 1.061 89 T HN 0.506 nan 8.240 nan 0.000 0.518 90 K N 0.040 120.456 120.400 0.027 0.000 2.511 90 K HA 0.306 4.631 4.320 0.008 0.000 0.280 90 K C 1.409 178.017 176.600 0.014 0.000 1.008 90 K CA 1.195 57.494 56.287 0.020 0.000 1.050 90 K CB -0.652 31.858 32.500 0.017 0.000 0.889 90 K HN 1.119 nan 8.250 nan 0.000 0.484 91 G N 2.247 111.053 108.800 0.011 0.000 2.179 91 G HA2 -0.281 3.683 3.960 0.008 0.000 0.260 91 G HA3 -0.281 3.683 3.960 0.008 0.000 0.260 91 G C 0.084 174.984 174.900 -0.002 0.000 0.977 91 G CA 0.626 45.729 45.100 0.005 0.000 0.641 91 G HN 0.903 nan 8.290 nan 0.000 0.533 92 T N -1.613 112.939 114.554 -0.003 0.000 2.940 92 T HA 0.804 5.159 4.350 0.008 0.000 0.288 92 T C -0.148 174.529 174.700 -0.038 0.000 1.045 92 T CA -0.921 61.166 62.100 -0.022 0.000 1.018 92 T CB 2.617 71.473 68.868 -0.020 0.000 1.151 92 T HN 0.572 nan 8.240 nan 0.000 0.529 93 I N 0.674 121.194 120.570 -0.083 0.000 2.465 93 I HA 0.516 4.691 4.170 0.008 0.000 0.291 93 I C 0.593 176.564 176.117 -0.243 0.000 1.014 93 I CA -1.196 60.047 61.300 -0.095 0.000 1.093 93 I CB 2.086 40.042 38.000 -0.073 0.000 1.267 93 I HN 0.967 nan 8.210 nan 0.000 0.431 94 G N 3.933 112.607 108.800 -0.211 0.000 2.393 94 G HA2 0.191 4.156 3.960 0.008 0.000 0.311 94 G HA3 0.191 4.156 3.960 0.008 0.000 0.311 94 G C -0.516 174.337 174.900 -0.079 0.000 1.067 94 G CA -0.255 44.553 45.100 -0.486 0.000 1.000 94 G HN 0.523 nan 8.290 nan 0.000 0.422 95 N N 1.509 120.050 118.700 -0.266 0.000 2.426 95 N HA 0.413 5.158 4.740 0.008 0.000 0.275 95 N C -1.407 174.066 175.510 -0.061 0.000 1.019 95 N CA -0.479 52.586 53.050 0.025 0.000 0.941 95 N CB 0.824 39.323 38.487 0.020 0.000 1.123 95 N HN 0.365 nan 8.380 nan 0.000 0.486 96 Y N 1.169 121.529 120.300 0.101 0.000 2.393 96 Y HA 0.416 4.971 4.550 0.008 0.000 0.341 96 Y C -0.045 175.882 175.900 0.044 0.000 0.988 96 Y CA -0.868 57.305 58.100 0.122 0.000 1.078 96 Y CB 1.648 40.155 38.460 0.080 0.000 1.203 96 Y HN 0.120 nan 8.280 nan 0.000 0.453 97 V N 5.339 125.336 119.914 0.139 0.000 2.364 97 V HA 0.279 4.404 4.120 0.008 0.000 0.272 97 V C -0.198 176.014 176.094 0.197 0.000 1.036 97 V CA -0.783 61.548 62.300 0.052 0.000 0.880 97 V CB 0.724 32.516 31.823 -0.053 0.000 0.991 97 V HN 0.547 nan 8.190 nan 0.000 0.460 98 L N 5.469 126.799 121.223 0.178 0.000 2.260 98 L HA 0.423 4.768 4.340 0.008 0.000 0.289 98 L C 0.987 177.987 176.870 0.216 0.000 1.057 98 L CA -0.062 54.896 54.840 0.197 0.000 0.811 98 L CB 1.190 43.395 42.059 0.244 0.000 1.184 98 L HN 0.849 nan 8.230 nan 0.000 0.429 99 T N -1.779 112.787 114.554 0.021 0.000 3.111 99 T HA 0.516 4.870 4.350 0.008 0.000 0.284 99 T C 0.442 174.778 174.700 -0.606 0.000 0.983 99 T CA 0.084 62.151 62.100 -0.056 0.000 0.900 99 T CB 0.852 69.808 68.868 0.147 0.000 1.132 99 T HN 0.741 nan 8.240 nan 0.000 0.531 100 G N 0.547 108.681 108.800 -1.110 0.000 2.341 100 G HA2 0.391 4.356 3.960 0.008 0.000 0.299 100 G HA3 0.391 4.356 3.960 0.008 0.000 0.299 100 G C 0.369 174.909 174.900 -0.599 0.000 1.274 100 G CA 0.143 44.553 45.100 -1.150 0.000 0.853 100 G HN -0.014 nan 8.290 nan 0.000 0.493 101 S N -1.346 114.271 115.700 -0.139 0.000 2.383 101 S HA -0.061 4.414 4.470 0.008 0.000 0.227 101 S C 1.803 176.289 174.600 -0.191 0.000 1.026 101 S CA 2.086 60.196 58.200 -0.150 0.000 0.981 101 S CB -0.387 62.682 63.200 -0.219 0.000 0.818 101 S HN 0.536 nan 8.310 nan 0.000 0.472 102 W N 1.658 122.970 121.300 0.020 0.000 2.374 102 W HA -0.015 4.649 4.660 0.007 0.000 0.288 102 W C 2.849 179.344 176.519 -0.041 0.000 1.218 102 W CA 0.663 58.048 57.345 0.067 0.000 1.245 102 W CB -0.428 29.138 29.460 0.178 0.000 1.126 102 W HN 0.255 nan 8.180 nan 0.000 0.545 103 S N 0.355 116.158 115.700 0.171 0.000 2.368 103 S HA -0.217 4.258 4.470 0.008 0.000 0.225 103 S C 1.404 175.980 174.600 -0.040 0.000 1.030 103 S CA 1.625 59.896 58.200 0.120 0.000 0.999 103 S CB -0.442 62.825 63.200 0.112 0.000 0.844 103 S HN 0.389 nan 8.310 nan 0.000 0.459 104 E N 1.056 121.215 120.200 -0.069 0.000 2.077 104 E HA -0.104 4.250 4.350 0.008 0.000 0.193 104 E C 2.120 178.610 176.600 -0.183 0.000 0.989 104 E CA 0.832 57.171 56.400 -0.101 0.000 0.800 104 E CB -0.071 29.603 29.700 -0.044 0.000 0.746 104 E HN 0.420 nan 8.360 nan 0.000 0.452 105 K N 0.402 120.692 120.400 -0.184 0.000 2.097 105 K HA -0.081 4.244 4.320 0.008 0.000 0.205 105 K C 2.186 178.477 176.600 -0.514 0.000 1.050 105 K CA 0.939 57.108 56.287 -0.197 0.000 0.938 105 K CB -0.068 32.468 32.500 0.060 0.000 0.718 105 K HN 0.042 nan 8.250 nan 0.000 0.442 106 A N 1.603 123.883 122.820 -0.900 0.000 1.873 106 A HA -0.154 4.171 4.320 0.008 0.000 0.215 106 A C 2.111 179.310 177.584 -0.642 0.000 1.186 106 A CA 1.100 52.553 52.037 -0.974 0.000 0.616 106 A CB -0.566 17.964 19.000 -0.783 0.000 0.823 106 A HN 0.250 nan 8.150 nan 0.000 0.442 107 L N 0.319 121.071 121.223 -0.785 0.000 2.042 107 L HA -0.196 4.149 4.340 0.008 0.000 0.210 107 L C 2.296 178.859 176.870 -0.512 0.000 1.076 107 L CA 2.822 57.035 54.840 -1.045 0.000 0.749 107 L CB -0.599 41.026 42.059 -0.722 0.000 0.893 107 L HN 0.490 nan 8.230 nan 0.000 0.432 108 K N -0.876 119.338 120.400 -0.311 0.000 2.063 108 K HA -0.215 4.109 4.320 0.008 0.000 0.208 108 K C 1.904 178.442 176.600 -0.104 0.000 1.048 108 K CA 1.712 57.902 56.287 -0.161 0.000 0.928 108 K CB -0.099 32.342 32.500 -0.098 0.000 0.713 108 K HN 0.379 nan 8.250 nan 0.000 0.442 109 E N 0.235 120.383 120.200 -0.086 0.000 2.150 109 E HA -0.116 4.239 4.350 0.008 0.000 0.193 109 E C 1.910 178.517 176.600 0.012 0.000 0.985 109 E CA 1.057 57.462 56.400 0.008 0.000 0.814 109 E CB -0.206 29.555 29.700 0.100 0.000 0.752 109 E HN 0.454 nan 8.360 nan 0.000 0.466 110 A N 1.672 124.476 122.820 -0.026 0.000 1.972 110 A HA -0.167 4.158 4.320 0.008 0.000 0.219 110 A C 2.012 179.610 177.584 0.024 0.000 1.169 110 A CA 1.207 53.281 52.037 0.061 0.000 0.635 110 A CB -0.289 18.806 19.000 0.158 0.000 0.810 110 A HN 0.082 nan 8.150 nan 0.000 0.446 111 K N -0.373 120.002 120.400 -0.041 0.000 2.280 111 K HA 0.002 4.327 4.320 0.008 0.000 0.202 111 K C 1.538 178.139 176.600 0.002 0.000 1.047 111 K CA 0.865 57.138 56.287 -0.023 0.000 0.942 111 K CB -0.309 32.161 32.500 -0.050 0.000 0.739 111 K HN 0.495 nan 8.250 nan 0.000 0.457 112 L N 0.472 121.700 121.223 0.008 0.000 2.291 112 L HA -0.094 4.251 4.340 0.008 0.000 0.214 112 L C 1.827 178.714 176.870 0.028 0.000 1.120 112 L CA 0.786 55.637 54.840 0.018 0.000 0.799 112 L CB -0.039 42.033 42.059 0.022 0.000 0.925 112 L HN 0.146 nan 8.230 nan 0.000 0.446 113 L N -1.878 119.370 121.223 0.042 0.000 2.701 113 L HA 0.404 4.749 4.340 0.008 0.000 0.238 113 L C 0.851 177.754 176.870 0.054 0.000 1.106 113 L CA 0.075 54.946 54.840 0.052 0.000 0.898 113 L CB 0.452 42.554 42.059 0.071 0.000 1.188 113 L HN 0.224 nan 8.230 nan 0.000 0.508 114 G N -0.397 108.435 108.800 0.053 0.000 2.427 114 G HA2 0.112 4.077 3.960 0.008 0.000 0.306 114 G HA3 0.112 4.077 3.960 0.008 0.000 0.306 114 G C -1.737 173.188 174.900 0.042 0.000 1.280 114 G CA -0.618 44.510 45.100 0.047 0.000 0.837 114 G HN -0.117 nan 8.290 nan 0.000 0.482 115 E N 0.121 120.342 120.200 0.035 0.000 2.384 115 E HA 0.468 4.823 4.350 0.008 0.000 0.266 115 E C 0.393 177.023 176.600 0.050 0.000 1.012 115 E CA 0.229 56.651 56.400 0.036 0.000 0.901 115 E CB 0.526 30.243 29.700 0.028 0.000 0.967 115 E HN 0.653 nan 8.360 nan 0.000 0.435 116 T N 1.334 115.929 114.554 0.068 0.000 2.888 116 T HA 0.443 4.797 4.350 0.008 0.000 0.288 116 T C -0.687 174.115 174.700 0.171 0.000 1.063 116 T CA -0.898 61.269 62.100 0.111 0.000 1.010 116 T CB 1.730 70.633 68.868 0.060 0.000 1.214 116 T HN 0.564 nan 8.240 nan 0.000 0.533 117 H N -0.585 118.532 119.070 0.078 0.000 3.042 117 H HA 0.448 5.009 4.556 0.008 0.000 0.346 117 H C -1.802 173.584 175.328 0.097 0.000 1.294 117 H CA -0.827 55.257 56.048 0.060 0.000 1.141 117 H CB 1.961 31.745 29.762 0.037 0.000 1.872 117 H HN 0.683 nan 8.280 nan 0.000 0.541 118 I N 3.283 123.648 120.570 -0.342 0.000 2.359 118 I HA 0.222 4.396 4.170 0.008 0.000 0.284 118 I C 1.202 177.230 176.117 -0.149 0.000 1.018 118 I CA -0.289 60.930 61.300 -0.135 0.000 1.173 118 I CB 1.552 39.478 38.000 -0.124 0.000 1.326 118 I HN 0.670 nan 8.210 nan 0.000 0.462 119 A N 5.272 128.122 122.820 0.049 0.000 1.930 119 A HA 0.422 4.747 4.320 0.008 0.000 0.217 119 A C 1.058 178.621 177.584 -0.035 0.000 1.175 119 A CA 1.441 53.505 52.037 0.045 0.000 0.627 119 A CB 0.038 18.963 19.000 -0.125 0.000 0.815 119 A HN 0.810 nan 8.150 nan 0.000 0.443 120 A N -2.555 120.215 122.820 -0.084 0.000 2.583 120 A HA 0.617 4.942 4.320 0.008 0.000 0.292 120 A C -0.580 177.026 177.584 0.037 0.000 1.045 120 A CA 0.363 52.403 52.037 0.005 0.000 0.672 120 A CB 0.298 19.338 19.000 0.067 0.000 1.283 120 A HN 1.191 nan 8.150 nan 0.000 0.419 121 S N -0.559 115.188 115.700 0.077 0.000 2.543 121 S HA 0.589 5.064 4.470 0.008 0.000 0.273 121 S C -0.027 174.616 174.600 0.073 0.000 1.152 121 S CA 0.487 58.749 58.200 0.104 0.000 0.910 121 S CB 1.263 64.499 63.200 0.061 0.000 1.105 121 S HN 1.958 nan 8.310 nan 0.000 0.465 122 T N 1.337 115.957 114.554 0.109 0.000 3.214 122 T HA 0.298 4.652 4.350 0.008 0.000 0.264 122 T C 1.219 175.693 174.700 -0.378 0.000 1.012 122 T CA -0.298 61.788 62.100 -0.025 0.000 0.901 122 T CB 0.103 69.014 68.868 0.071 0.000 1.070 122 T HN 0.600 nan 8.240 nan 0.000 0.561 123 K N 1.474 121.518 120.400 -0.595 0.000 2.103 123 K HA -0.032 4.292 4.320 0.008 0.000 0.207 123 K C 2.426 178.670 176.600 -0.594 0.000 1.048 123 K CA 1.333 56.951 56.287 -1.114 0.000 0.930 123 K CB -0.564 31.589 32.500 -0.578 0.000 0.716 123 K HN 0.445 nan 8.250 nan 0.000 0.444 124 A N 0.939 123.568 122.820 -0.318 0.000 2.019 124 A HA -0.156 4.169 4.320 0.008 0.000 0.219 124 A C 1.565 179.044 177.584 -0.176 0.000 1.164 124 A CA 1.737 53.656 52.037 -0.196 0.000 0.644 124 A CB -0.381 18.547 19.000 -0.120 0.000 0.805 124 A HN 0.437 nan 8.150 nan 0.000 0.449 125 N N -0.609 117.973 118.700 -0.195 0.000 2.321 125 N HA 0.138 4.883 4.740 0.008 0.000 0.242 125 N C -0.170 175.247 175.510 -0.154 0.000 1.141 125 N CA 0.638 53.607 53.050 -0.135 0.000 0.864 125 N CB -0.160 38.277 38.487 -0.084 0.000 1.100 125 N HN 0.125 nan 8.380 nan 0.000 0.510 126 S N 0.049 115.589 115.700 -0.268 0.000 3.641 126 S HA -0.246 4.229 4.470 0.008 0.000 0.346 126 S C -0.508 173.967 174.600 -0.210 0.000 1.074 126 S CA 0.647 58.705 58.200 -0.236 0.000 1.026 126 S CB -2.368 60.803 63.200 -0.048 0.000 0.908 126 S HN 0.633 nan 8.310 nan 0.000 0.479 127 Y N -1.467 118.675 120.300 -0.264 0.000 3.168 127 Y HA -0.327 4.228 4.550 0.008 0.000 0.207 127 Y C 1.398 177.228 175.900 -0.116 0.000 1.280 127 Y CA 0.829 58.738 58.100 -0.317 0.000 1.235 127 Y CB -1.781 36.182 38.460 -0.829 0.000 1.370 127 Y HN 0.579 nan 8.280 nan 0.000 0.537 128 Q N -0.077 119.769 119.800 0.076 0.000 2.424 128 Q HA 0.045 4.390 4.340 0.008 0.000 0.204 128 Q C 0.778 176.832 176.000 0.090 0.000 0.933 128 Q CA 0.783 56.651 55.803 0.110 0.000 0.929 128 Q CB 0.505 29.286 28.738 0.071 0.000 1.037 128 Q HN 0.524 nan 8.270 nan 0.000 0.511 129 S N -1.106 114.636 115.700 0.070 0.000 2.625 129 S HA 0.488 4.962 4.470 0.008 0.000 0.271 129 S C -0.872 173.741 174.600 0.022 0.000 1.161 129 S CA -1.040 57.179 58.200 0.032 0.000 0.820 129 S CB 1.292 64.493 63.200 0.002 0.000 1.137 129 S HN -0.015 nan 8.310 nan 0.000 0.470 130 I N 2.555 123.095 120.570 -0.050 0.000 2.395 130 I HA 0.424 4.599 4.170 0.008 0.000 0.289 130 I C -2.017 174.080 176.117 -0.033 0.000 1.023 130 I CA -2.163 59.067 61.300 -0.118 0.000 1.350 130 I CB 0.239 38.026 38.000 -0.356 0.000 1.409 130 I HN 0.564 nan 8.210 nan 0.000 0.507 131 P HA 0.080 nan 4.420 nan 0.000 0.272 131 P C -0.275 177.122 177.300 0.162 0.000 1.223 131 P CA -0.331 62.868 63.100 0.166 0.000 0.784 131 P CB 0.950 32.828 31.700 0.296 0.000 0.923 132 D N 1.479 121.911 120.400 0.052 0.000 2.458 132 D HA -0.009 4.636 4.640 0.008 0.000 0.243 132 D C 1.059 177.362 176.300 0.004 0.000 1.146 132 D CA 0.080 54.032 54.000 -0.081 0.000 0.877 132 D CB 0.341 41.093 40.800 -0.080 0.000 1.176 132 D HN 0.321 nan 8.370 nan 0.000 0.461 133 F N 1.163 120.898 119.950 -0.358 0.000 2.250 133 F HA -0.224 4.308 4.527 0.008 0.000 0.301 133 F C 2.725 178.194 175.800 -0.551 0.000 1.077 133 F CA 0.353 57.814 58.000 -0.898 0.000 1.348 133 F CB -0.044 38.574 39.000 -0.637 0.000 1.040 133 F HN 0.365 nan 8.300 nan 0.000 0.509 134 S N -0.233 115.426 115.700 -0.069 0.000 2.474 134 S HA -0.137 4.338 4.470 0.008 0.000 0.235 134 S C 1.327 175.960 174.600 0.055 0.000 0.997 134 S CA 0.809 59.000 58.200 -0.014 0.000 0.949 134 S CB -0.343 62.846 63.200 -0.017 0.000 0.766 134 S HN 0.426 nan 8.310 nan 0.000 0.517 135 E N 0.366 120.639 120.200 0.121 0.000 2.478 135 E HA 0.154 4.508 4.350 0.008 0.000 0.194 135 E C -0.610 176.213 176.600 0.371 0.000 1.045 135 E CA -0.154 56.375 56.400 0.215 0.000 0.868 135 E CB -0.056 29.776 29.700 0.221 0.000 0.885 135 E HN 0.496 nan 8.360 nan 0.000 0.505 136 F N 2.270 122.291 119.950 0.118 0.000 2.538 136 F HA 0.040 4.571 4.527 0.008 0.000 0.371 136 F C 1.139 176.988 175.800 0.081 0.000 1.087 136 F CA -0.341 57.726 58.000 0.113 0.000 1.250 136 F CB 0.297 39.360 39.000 0.105 0.000 1.110 136 F HN -0.199 nan 8.300 nan 0.000 0.570 137 Q N 5.065 125.019 119.800 0.257 0.000 2.368 137 Q HA 0.448 4.793 4.340 0.008 0.000 0.256 137 Q C -0.499 175.576 176.000 0.125 0.000 0.980 137 Q CA -0.222 55.696 55.803 0.192 0.000 0.887 137 Q CB 1.747 30.643 28.738 0.263 0.000 1.221 137 Q HN 0.574 nan 8.270 nan 0.000 0.458 138 L N 2.052 123.274 121.223 -0.003 0.000 2.334 138 L HA 0.556 4.901 4.340 0.008 0.000 0.272 138 L C 0.177 176.941 176.870 -0.177 0.000 1.020 138 L CA -0.864 53.895 54.840 -0.135 0.000 0.812 138 L CB 1.388 43.220 42.059 -0.378 0.000 1.264 138 L HN 0.409 nan 8.230 nan 0.000 0.439 139 N N 0.705 119.324 118.700 -0.135 0.000 2.269 139 N HA 0.134 4.879 4.740 0.008 0.000 0.304 139 N C 0.250 175.776 175.510 0.027 0.000 1.072 139 N CA -0.565 52.422 53.050 -0.104 0.000 0.802 139 N CB 2.634 41.015 38.487 -0.176 0.000 1.348 139 N HN 0.660 nan 8.380 nan 0.000 0.484 140 E N 1.056 121.261 120.200 0.009 0.000 2.160 140 E HA -0.187 4.167 4.350 0.008 0.000 0.195 140 E C 0.545 177.178 176.600 0.056 0.000 0.991 140 E CA 1.230 57.662 56.400 0.053 0.000 0.810 140 E CB 0.145 29.855 29.700 0.016 0.000 0.742 140 E HN 0.533 nan 8.360 nan 0.000 0.466 141 N N 0.949 119.657 118.700 0.014 0.000 2.295 141 N HA -0.021 4.724 4.740 0.008 0.000 0.221 141 N C -0.844 174.647 175.510 -0.031 0.000 1.129 141 N CA -0.022 53.024 53.050 -0.007 0.000 0.836 141 N CB -0.008 38.470 38.487 -0.015 0.000 1.040 141 N HN -0.068 nan 8.380 nan 0.000 0.494 142 D N 1.002 121.394 120.400 -0.013 0.000 2.458 142 D HA 0.090 4.735 4.640 0.008 0.000 0.243 142 D C 1.014 177.236 176.300 -0.130 0.000 1.146 142 D CA 0.080 54.032 54.000 -0.080 0.000 0.877 142 D CB 1.498 42.296 40.800 -0.003 0.000 1.176 142 D HN 0.343 nan 8.370 nan 0.000 0.461 143 A N 3.161 125.868 122.820 -0.188 0.000 1.970 143 A HA 0.032 4.356 4.320 0.008 0.000 0.216 143 A C 0.195 177.776 177.584 -0.006 0.000 1.170 143 A CA 1.133 53.108 52.037 -0.103 0.000 0.645 143 A CB -0.286 18.664 19.000 -0.084 0.000 0.816 143 A HN 0.689 nan 8.150 nan 0.000 0.447 144 Y N -5.218 115.035 120.300 -0.079 0.000 2.741 144 Y HA 0.612 5.167 4.550 0.008 0.000 0.339 144 Y C -1.429 174.410 175.900 -0.102 0.000 1.226 144 Y CA -1.862 56.175 58.100 -0.105 0.000 1.072 144 Y CB 0.548 38.972 38.460 -0.059 0.000 1.331 144 Y HN 0.020 nan 8.280 nan 0.000 0.453 145 L N 3.062 124.360 121.223 0.125 0.000 2.319 145 L HA 0.498 4.843 4.340 0.008 0.000 0.281 145 L C -1.145 175.792 176.870 0.111 0.000 1.005 145 L CA -0.348 54.539 54.840 0.078 0.000 0.828 145 L CB 0.985 43.100 42.059 0.094 0.000 1.227 145 L HN 0.883 nan 8.230 nan 0.000 0.415 146 H N 6.267 125.275 119.070 -0.104 0.000 2.459 146 H HA 0.557 5.118 4.556 0.008 0.000 0.332 146 H C -0.942 174.355 175.328 -0.051 0.000 1.094 146 H CA -0.467 55.502 56.048 -0.133 0.000 1.224 146 H CB 1.522 31.019 29.762 -0.441 0.000 1.449 146 H HN 0.783 nan 8.280 nan 0.000 0.484 147 I N 1.203 121.615 120.570 -0.264 0.000 3.108 147 I HA 0.493 4.668 4.170 0.008 0.000 0.312 147 I C -0.938 175.068 176.117 -0.185 0.000 1.095 147 I CA -0.883 60.366 61.300 -0.085 0.000 1.000 147 I CB 2.559 40.453 38.000 -0.177 0.000 1.229 147 I HN 0.329 nan 8.210 nan 0.000 0.454 148 T N 1.833 116.430 114.554 0.071 0.000 2.821 148 T HA 0.211 4.566 4.350 0.008 0.000 0.307 148 T C 1.051 175.854 174.700 0.172 0.000 1.034 148 T CA -0.224 61.943 62.100 0.111 0.000 0.953 148 T CB 1.273 70.293 68.868 0.254 0.000 0.968 148 T HN 0.819 nan 8.240 nan 0.000 0.462 149 S N 3.146 118.880 115.700 0.057 0.000 2.383 149 S HA -0.065 4.410 4.470 0.008 0.000 0.227 149 S C 0.754 175.582 174.600 0.379 0.000 1.026 149 S CA 0.497 58.834 58.200 0.228 0.000 0.981 149 S CB -0.264 63.048 63.200 0.187 0.000 0.818 149 S HN 0.627 nan 8.310 nan 0.000 0.472 150 N N 1.453 120.306 118.700 0.255 0.000 2.448 150 N HA 0.296 5.041 4.740 0.008 0.000 0.279 150 N C -1.965 173.700 175.510 0.259 0.000 1.025 150 N CA -0.501 52.702 53.050 0.255 0.000 0.898 150 N CB 0.947 39.563 38.487 0.215 0.000 1.303 150 N HN 0.113 nan 8.380 nan 0.000 0.495 151 N N 2.745 121.617 118.700 0.287 0.000 2.602 151 N HA 0.071 4.816 4.740 0.008 0.000 0.238 151 N C 0.356 176.072 175.510 0.343 0.000 1.084 151 N CA 0.030 53.271 53.050 0.318 0.000 0.952 151 N CB 1.004 39.648 38.487 0.262 0.000 1.244 151 N HN 0.605 nan 8.380 nan 0.000 0.512 152 T N 0.904 115.694 114.554 0.393 0.000 2.803 152 T HA -0.073 4.282 4.350 0.008 0.000 0.269 152 T C 1.944 176.812 174.700 0.280 0.000 1.052 152 T CA 0.934 63.249 62.100 0.358 0.000 1.136 152 T CB 0.188 69.307 68.868 0.419 0.000 0.864 152 T HN 0.449 nan 8.240 nan 0.000 0.467 153 I N -0.960 119.735 120.570 0.208 0.000 2.584 153 I HA -0.021 4.154 4.170 0.008 0.000 0.255 153 I C 1.670 177.686 176.117 -0.169 0.000 1.145 153 I CA 1.146 62.397 61.300 -0.081 0.000 1.462 153 I CB -0.080 37.666 38.000 -0.424 0.000 1.102 153 I HN 0.223 nan 8.210 nan 0.000 0.433 154 Y N 0.397 120.783 120.300 0.142 0.000 2.478 154 Y HA 0.261 4.816 4.550 0.008 0.000 0.261 154 Y C 1.773 177.801 175.900 0.214 0.000 1.127 154 Y CA 0.418 58.627 58.100 0.181 0.000 1.288 154 Y CB 0.406 38.959 38.460 0.155 0.000 1.084 154 Y HN 0.214 nan 8.280 nan 0.000 0.530 155 G N 1.516 110.494 108.800 0.297 0.000 2.176 155 G HA2 -0.269 3.695 3.960 0.008 0.000 0.252 155 G HA3 -0.269 3.695 3.960 0.008 0.000 0.252 155 G C 0.107 175.165 174.900 0.262 0.000 1.024 155 G CA 0.470 45.727 45.100 0.262 0.000 0.755 155 G HN 0.424 nan 8.290 nan 0.000 0.507 156 T N -3.320 111.387 114.554 0.256 0.000 2.932 156 T HA 0.792 5.147 4.350 0.008 0.000 0.289 156 T C -0.652 174.168 174.700 0.199 0.000 1.039 156 T CA -0.166 62.052 62.100 0.197 0.000 1.024 156 T CB 2.880 71.849 68.868 0.168 0.000 1.090 156 T HN 0.782 nan 8.240 nan 0.000 0.496 157 Q N 0.481 120.374 119.800 0.156 0.000 2.353 157 Q HA 0.342 4.687 4.340 0.008 0.000 0.275 157 Q C -1.820 174.263 176.000 0.139 0.000 1.029 157 Q CA -0.831 55.093 55.803 0.203 0.000 0.848 157 Q CB 1.866 30.718 28.738 0.190 0.000 1.390 157 Q HN 0.764 nan 8.270 nan 0.000 0.401 158 Y N 2.652 122.993 120.300 0.069 0.000 2.632 158 Y HA -0.073 4.482 4.550 0.008 0.000 0.329 158 Y C 1.352 177.141 175.900 -0.184 0.000 1.174 158 Y CA 0.553 58.623 58.100 -0.051 0.000 1.469 158 Y CB 0.733 39.111 38.460 -0.137 0.000 1.242 158 Y HN 0.594 nan 8.280 nan 0.000 0.540 159 Q N 2.302 122.062 119.800 -0.066 0.000 2.245 159 Q HA -0.013 4.332 4.340 0.008 0.000 0.201 159 Q C -0.174 175.739 176.000 -0.145 0.000 0.955 159 Q CA 0.839 56.590 55.803 -0.087 0.000 0.870 159 Q CB -0.109 28.577 28.738 -0.087 0.000 0.945 159 Q HN 0.867 nan 8.270 nan 0.000 0.461 160 N N -1.736 116.846 118.700 -0.197 0.000 3.106 160 N HA 0.477 5.222 4.740 0.008 0.000 0.253 160 N C -1.401 173.996 175.510 -0.188 0.000 1.506 160 N CA -0.691 52.242 53.050 -0.195 0.000 0.876 160 N CB 0.357 38.867 38.487 0.038 0.000 1.452 160 N HN -0.170 nan 8.380 nan 0.000 0.542 161 F N -0.762 119.394 119.950 0.342 0.000 2.546 161 F HA 0.656 5.187 4.527 0.008 0.000 0.320 161 F C -2.105 173.634 175.800 -0.103 0.000 1.076 161 F CA -1.850 56.229 58.000 0.133 0.000 0.928 161 F CB 2.311 41.294 39.000 -0.028 0.000 1.189 161 F HN 0.279 nan 8.300 nan 0.000 0.465 162 P HA 0.053 nan 4.420 nan 0.000 0.274 162 P C -0.908 176.276 177.300 -0.193 0.000 1.231 162 P CA -0.259 62.507 63.100 -0.557 0.000 0.790 162 P CB 0.868 32.054 31.700 -0.856 0.000 0.951 163 E N 2.203 122.347 120.200 -0.094 0.000 1.996 163 E HA 0.256 4.611 4.350 0.008 0.000 0.280 163 E C -0.265 176.314 176.600 -0.035 0.000 1.092 163 E CA -0.303 56.064 56.400 -0.055 0.000 0.862 163 E CB 0.274 29.968 29.700 -0.009 0.000 1.066 163 E HN 0.303 nan 8.360 nan 0.000 0.396 164 I N 3.090 123.639 120.570 -0.034 0.000 2.362 164 I HA 0.172 4.347 4.170 0.008 0.000 0.289 164 I C 0.603 176.749 176.117 0.049 0.000 0.994 164 I CA -0.426 60.907 61.300 0.056 0.000 1.158 164 I CB 1.127 39.155 38.000 0.046 0.000 1.315 164 I HN 0.333 nan 8.210 nan 0.000 0.451 165 N N 2.987 121.758 118.700 0.119 0.000 2.193 165 N HA -0.021 4.723 4.740 0.008 0.000 0.210 165 N C 1.433 176.995 175.510 0.086 0.000 1.215 165 N CA -0.124 52.965 53.050 0.066 0.000 0.901 165 N CB 0.245 38.763 38.487 0.051 0.000 1.060 165 N HN 0.603 nan 8.380 nan 0.000 0.508 166 H N -0.103 118.962 119.070 -0.007 0.000 2.551 166 H HA 0.539 5.100 4.556 0.008 0.000 0.266 166 H C -0.051 175.273 175.328 -0.006 0.000 0.964 166 H CA 0.330 56.374 56.048 -0.006 0.000 1.180 166 H CB 0.290 30.049 29.762 -0.005 0.000 1.408 166 H HN 0.082 nan 8.280 nan 0.000 0.563 167 A N 1.178 123.643 122.820 -0.593 0.000 2.597 167 A HA 0.476 4.801 4.320 0.008 0.000 0.292 167 A C -2.982 174.447 177.584 -0.257 0.000 1.057 167 A CA -1.348 50.408 52.037 -0.468 0.000 0.674 167 A CB 1.234 19.851 19.000 -0.640 0.000 1.278 167 A HN 0.076 nan 8.150 nan 0.000 0.416 168 P HA 0.371 nan 4.420 nan 0.000 0.275 168 P C -0.679 176.606 177.300 -0.025 0.000 1.227 168 P CA -0.117 62.950 63.100 -0.055 0.000 0.781 168 P CB 0.752 32.441 31.700 -0.019 0.000 0.906 169 L N 4.703 125.900 121.223 -0.044 0.000 2.319 169 L HA 0.320 4.665 4.340 0.008 0.000 0.280 169 L C -0.573 176.325 176.870 0.046 0.000 1.099 169 L CA -0.022 54.794 54.840 -0.041 0.000 0.828 169 L CB -0.178 41.759 42.059 -0.204 0.000 1.150 169 L HN 0.166 nan 8.230 nan 0.000 0.442 170 I N 5.256 125.837 120.570 0.020 0.000 2.465 170 I HA 0.680 4.855 4.170 0.008 0.000 0.291 170 I C -0.114 175.872 176.117 -0.218 0.000 1.014 170 I CA -0.942 60.340 61.300 -0.030 0.000 1.093 170 I CB 1.143 39.109 38.000 -0.057 0.000 1.267 170 I HN 0.725 nan 8.210 nan 0.000 0.431 171 A N 3.995 126.644 122.820 -0.284 0.000 2.374 171 A HA 0.535 4.860 4.320 0.008 0.000 0.305 171 A C -0.808 176.333 177.584 -0.738 0.000 1.053 171 A CA -0.592 51.142 52.037 -0.506 0.000 0.726 171 A CB 1.109 19.818 19.000 -0.486 0.000 1.229 171 A HN 0.633 nan 8.150 nan 0.000 0.431 172 D N 3.121 123.037 120.400 -0.807 0.000 2.374 172 D HA 0.281 4.926 4.640 0.008 0.000 0.240 172 D C 0.373 176.382 176.300 -0.485 0.000 1.229 172 D CA 0.181 53.633 54.000 -0.914 0.000 0.895 172 D CB 0.235 40.860 40.800 -0.292 0.000 1.046 172 D HN 0.445 nan 8.370 nan 0.000 0.498 173 M N 2.308 121.607 119.600 -0.501 0.000 2.655 173 M HA 0.059 4.543 4.480 0.008 0.000 0.311 173 M C 1.626 177.789 176.300 -0.228 0.000 1.229 173 M CA -0.382 54.740 55.300 -0.297 0.000 0.972 173 M CB 0.410 32.817 32.600 -0.322 0.000 1.366 173 M HN 0.155 nan 8.290 nan 0.000 0.500 174 S N 1.381 116.928 115.700 -0.255 0.000 2.381 174 S HA -0.166 4.309 4.470 0.008 0.000 0.230 174 S C 1.849 176.323 174.600 -0.209 0.000 1.052 174 S CA 2.324 60.383 58.200 -0.234 0.000 1.068 174 S CB -0.185 62.839 63.200 -0.294 0.000 0.918 174 S HN 0.701 nan 8.310 nan 0.000 0.448 175 S N 0.561 116.184 115.700 -0.128 0.000 2.557 175 S HA 0.137 4.612 4.470 0.008 0.000 0.223 175 S C 0.406 175.042 174.600 0.061 0.000 0.969 175 S CA 0.298 58.465 58.200 -0.054 0.000 0.927 175 S CB 0.130 63.412 63.200 0.137 0.000 0.806 175 S HN 0.637 nan 8.310 nan 0.000 0.489 176 D N -0.100 120.312 120.400 0.019 0.000 2.563 176 D HA 0.195 4.839 4.640 0.008 0.000 0.256 176 D C -0.032 176.278 176.300 0.016 0.000 1.400 176 D CA -0.622 53.421 54.000 0.072 0.000 0.800 176 D CB -0.789 40.092 40.800 0.135 0.000 1.145 176 D HN 0.349 nan 8.370 nan 0.000 0.501 177 I N 1.585 122.121 120.570 -0.057 0.000 2.710 177 I HA 0.120 4.295 4.170 0.008 0.000 0.286 177 I C 0.794 176.887 176.117 -0.039 0.000 1.181 177 I CA -0.156 61.094 61.300 -0.082 0.000 1.430 177 I CB 0.355 38.278 38.000 -0.129 0.000 1.367 177 I HN 0.135 nan 8.210 nan 0.000 0.577 178 L N 5.558 126.763 121.223 -0.031 0.000 3.717 178 L HA -0.246 4.099 4.340 0.008 0.000 0.414 178 L C 1.201 178.091 176.870 0.033 0.000 1.228 178 L CA 1.641 56.478 54.840 -0.005 0.000 0.918 178 L CB -2.091 39.961 42.059 -0.010 0.000 1.865 178 L HN 0.914 nan 8.230 nan 0.000 0.922 179 S N -1.290 114.441 115.700 0.051 0.000 2.540 179 S HA 0.420 4.894 4.470 0.008 0.000 0.218 179 S C 0.614 175.257 174.600 0.073 0.000 0.977 179 S CA 0.166 58.414 58.200 0.081 0.000 0.918 179 S CB 0.182 63.450 63.200 0.113 0.000 0.806 179 S HN 0.792 nan 8.310 nan 0.000 0.496 180 R N -1.373 119.162 120.500 0.059 0.000 2.765 180 R HA 0.494 4.839 4.340 0.008 0.000 0.277 180 R C -3.723 172.607 176.300 0.049 0.000 1.028 180 R CA -1.697 54.438 56.100 0.059 0.000 0.860 180 R CB -0.670 29.679 30.300 0.083 0.000 1.270 180 R HN -0.085 nan 8.270 nan 0.000 0.484 181 P HA 0.175 nan 4.420 nan 0.000 0.269 181 P C -1.163 176.180 177.300 0.072 0.000 1.215 181 P CA -0.443 62.681 63.100 0.040 0.000 0.780 181 P CB 0.490 32.213 31.700 0.037 0.000 0.898 182 L N 1.619 122.872 121.223 0.050 0.000 2.409 182 L HA 0.439 4.783 4.340 0.008 0.000 0.262 182 L C -0.721 176.187 176.870 0.064 0.000 0.992 182 L CA -0.591 54.297 54.840 0.078 0.000 0.817 182 L CB 2.094 44.144 42.059 -0.016 0.000 1.350 182 L HN 0.150 nan 8.230 nan 0.000 0.411 183 K N 3.505 123.981 120.400 0.126 0.000 2.244 183 K HA 0.279 4.603 4.320 0.008 0.000 0.263 183 K C 0.635 177.290 176.600 0.092 0.000 1.103 183 K CA -0.315 56.022 56.287 0.083 0.000 0.966 183 K CB 1.179 33.738 32.500 0.097 0.000 1.429 183 K HN 0.531 nan 8.250 nan 0.000 0.434 184 V N 1.936 121.831 119.914 -0.031 0.000 2.594 184 V HA -0.242 3.883 4.120 0.008 0.000 0.253 184 V C 1.581 177.629 176.094 -0.077 0.000 1.069 184 V CA 1.412 63.640 62.300 -0.120 0.000 1.082 184 V CB -0.388 31.180 31.823 -0.425 0.000 0.680 184 V HN 0.704 nan 8.190 nan 0.000 0.469 185 N N 0.155 118.831 118.700 -0.041 0.000 2.519 185 N HA -0.154 4.591 4.740 0.008 0.000 0.186 185 N C 1.767 177.304 175.510 0.045 0.000 1.062 185 N CA 0.837 53.939 53.050 0.086 0.000 0.910 185 N CB -0.151 38.380 38.487 0.075 0.000 0.958 185 N HN 0.625 nan 8.380 nan 0.000 0.445 186 Q N -0.856 118.903 119.800 -0.068 0.000 2.436 186 Q HA 0.015 4.360 4.340 0.008 0.000 0.209 186 Q C -0.318 175.337 176.000 -0.576 0.000 0.965 186 Q CA 0.660 56.245 55.803 -0.364 0.000 0.910 186 Q CB 0.157 28.535 28.738 -0.599 0.000 0.980 186 Q HN 0.253 nan 8.270 nan 0.000 0.491 187 F N -1.959 117.961 119.950 -0.051 0.000 2.538 187 F HA 0.404 4.936 4.527 0.008 0.000 0.325 187 F C 1.221 177.065 175.800 0.074 0.000 1.066 187 F CA -0.866 57.100 58.000 -0.055 0.000 0.946 187 F CB 1.291 40.200 39.000 -0.153 0.000 1.199 187 F HN -0.210 nan 8.300 nan 0.000 0.473 188 G N 1.135 110.037 108.800 0.170 0.000 2.539 188 G HA2 0.136 4.100 3.960 0.008 0.000 0.215 188 G HA3 0.136 4.100 3.960 0.008 0.000 0.215 188 G C 0.103 175.058 174.900 0.092 0.000 1.141 188 G CA 0.335 45.489 45.100 0.091 0.000 0.806 188 G HN 0.439 nan 8.290 nan 0.000 0.533 189 M N 0.221 119.880 119.600 0.098 0.000 2.414 189 M HA 0.493 4.978 4.480 0.008 0.000 0.287 189 M C -2.277 174.005 176.300 -0.030 0.000 1.181 189 M CA -0.515 54.796 55.300 0.018 0.000 0.933 189 M CB 2.366 34.916 32.600 -0.083 0.000 1.732 189 M HN -0.099 nan 8.290 nan 0.000 0.486 190 I N 4.774 125.286 120.570 -0.098 0.000 2.545 190 I HA 0.529 4.704 4.170 0.008 0.000 0.292 190 I C -1.467 174.615 176.117 -0.059 0.000 1.040 190 I CA -0.705 60.447 61.300 -0.246 0.000 1.068 190 I CB 2.293 40.030 38.000 -0.440 0.000 1.251 190 I HN 0.689 nan 8.210 nan 0.000 0.424 191 Y N 4.081 124.279 120.300 -0.169 0.000 2.581 191 Y HA 0.945 5.500 4.550 0.008 0.000 0.345 191 Y C -0.978 174.851 175.900 -0.118 0.000 1.036 191 Y CA -1.343 56.692 58.100 -0.109 0.000 1.042 191 Y CB 1.838 40.267 38.460 -0.052 0.000 1.289 191 Y HN 0.577 nan 8.280 nan 0.000 0.471 192 A N 1.373 124.208 122.820 0.025 0.000 2.512 192 A HA 0.623 4.948 4.320 0.008 0.000 0.294 192 A C -0.279 177.273 177.584 -0.052 0.000 1.054 192 A CA -0.328 51.658 52.037 -0.085 0.000 0.756 192 A CB 0.489 19.405 19.000 -0.141 0.000 1.293 192 A HN 1.607 nan 8.150 nan 0.000 0.395 193 G N 0.585 109.329 108.800 -0.093 0.000 2.491 193 G HA2 0.526 4.490 3.960 0.008 0.000 0.238 193 G HA3 0.526 4.490 3.960 0.008 0.000 0.238 193 G C 1.077 175.903 174.900 -0.124 0.000 1.277 193 G CA 0.330 45.366 45.100 -0.107 0.000 0.851 193 G HN 1.874 nan 8.290 nan 0.000 0.573 194 A N 1.428 124.182 122.820 -0.111 0.000 2.066 194 A HA -0.033 4.291 4.320 0.008 0.000 0.218 194 A C 2.158 179.652 177.584 -0.150 0.000 1.157 194 A CA 1.428 53.389 52.037 -0.125 0.000 0.670 194 A CB -0.150 18.774 19.000 -0.126 0.000 0.804 194 A HN 0.729 nan 8.150 nan 0.000 0.453 195 Q N -0.109 119.603 119.800 -0.146 0.000 2.452 195 Q HA 0.015 4.360 4.340 0.008 0.000 0.214 195 Q C 0.589 176.470 176.000 -0.199 0.000 0.966 195 Q CA 0.991 56.713 55.803 -0.136 0.000 0.964 195 Q CB -0.124 28.559 28.738 -0.092 0.000 0.992 195 Q HN 0.681 nan 8.270 nan 0.000 0.517 196 K N -0.430 119.774 120.400 -0.326 0.000 2.353 196 K HA 0.168 4.492 4.320 0.008 0.000 0.206 196 K C 1.090 177.400 176.600 -0.483 0.000 1.191 196 K CA 0.385 56.267 56.287 -0.675 0.000 0.897 196 K CB 0.487 32.348 32.500 -1.065 0.000 1.283 196 K HN 0.004 nan 8.250 nan 0.000 0.477 197 N N -0.175 118.346 118.700 -0.299 0.000 2.210 197 N HA 0.246 4.991 4.740 0.008 0.000 0.203 197 N C 0.795 176.262 175.510 -0.072 0.000 1.175 197 N CA 0.278 53.254 53.050 -0.124 0.000 0.894 197 N CB 1.005 39.438 38.487 -0.089 0.000 1.041 197 N HN 0.006 nan 8.380 nan 0.000 0.506 198 L N -1.676 119.481 121.223 -0.109 0.000 2.749 198 L HA 0.512 4.857 4.340 0.008 0.000 0.242 198 L C 0.822 177.620 176.870 -0.120 0.000 1.103 198 L CA 0.006 54.792 54.840 -0.089 0.000 0.906 198 L CB 0.836 42.839 42.059 -0.093 0.000 1.228 198 L HN 0.058 nan 8.230 nan 0.000 0.517 199 G N -0.103 108.616 108.800 -0.135 0.000 2.323 199 G HA2 0.188 4.153 3.960 0.008 0.000 0.291 199 G HA3 0.188 4.153 3.960 0.008 0.000 0.291 199 G C -3.190 171.637 174.900 -0.123 0.000 1.278 199 G CA -0.571 44.439 45.100 -0.150 0.000 0.860 199 G HN -0.317 nan 8.290 nan 0.000 0.504 200 P HA 0.445 nan 4.420 nan 0.000 0.278 200 P C 0.085 177.350 177.300 -0.058 0.000 1.266 200 P CA -0.156 62.908 63.100 -0.059 0.000 0.807 200 P CB 1.712 33.404 31.700 -0.013 0.000 1.094 201 S N -1.109 114.570 115.700 -0.035 0.000 2.579 201 S HA 0.446 4.921 4.470 0.008 0.000 0.275 201 S C 1.201 175.786 174.600 -0.024 0.000 1.345 201 S CA 1.056 59.234 58.200 -0.037 0.000 1.031 201 S CB -1.034 62.153 63.200 -0.021 0.000 0.892 201 S HN 0.869 nan 8.310 nan 0.000 0.529 202 G N 1.531 110.311 108.800 -0.034 0.000 2.296 202 G HA2 -0.121 3.844 3.960 0.008 0.000 0.188 202 G HA3 -0.121 3.844 3.960 0.008 0.000 0.188 202 G C -0.162 174.718 174.900 -0.033 0.000 1.000 202 G CA 0.014 45.099 45.100 -0.024 0.000 0.672 202 G HN 1.172 nan 8.290 nan 0.000 0.483 203 V N 1.239 121.122 119.914 -0.052 0.000 2.823 203 V HA 0.854 4.979 4.120 0.008 0.000 0.312 203 V C -0.648 175.419 176.094 -0.045 0.000 1.072 203 V CA 0.197 62.467 62.300 -0.051 0.000 0.937 203 V CB 2.315 34.077 31.823 -0.101 0.000 1.013 203 V HN 0.323 nan 8.190 nan 0.000 0.430 204 T N 5.129 119.679 114.554 -0.007 0.000 2.786 204 T HA 0.499 4.854 4.350 0.008 0.000 0.283 204 T C -0.602 174.149 174.700 0.086 0.000 0.992 204 T CA -0.286 61.820 62.100 0.010 0.000 0.954 204 T CB 1.421 70.282 68.868 -0.012 0.000 0.934 204 T HN 0.503 nan 8.240 nan 0.000 0.440 205 V N 4.325 124.294 119.914 0.092 0.000 2.461 205 V HA 0.389 4.514 4.120 0.008 0.000 0.275 205 V C -0.048 176.099 176.094 0.089 0.000 1.047 205 V CA -0.440 61.948 62.300 0.147 0.000 0.955 205 V CB 1.254 33.148 31.823 0.119 0.000 0.988 205 V HN 0.687 nan 8.190 nan 0.000 0.471 206 V N 6.851 126.804 119.914 0.065 0.000 2.443 206 V HA 0.491 4.616 4.120 0.008 0.000 0.293 206 V C -0.287 175.797 176.094 -0.016 0.000 1.021 206 V CA -0.410 61.916 62.300 0.043 0.000 0.848 206 V CB 1.738 33.601 31.823 0.066 0.000 0.998 206 V HN 0.678 nan 8.190 nan 0.000 0.424 207 I N 5.381 125.935 120.570 -0.027 0.000 2.330 207 I HA 0.580 4.755 4.170 0.008 0.000 0.289 207 I C -0.480 175.663 176.117 0.043 0.000 1.001 207 I CA -0.588 60.703 61.300 -0.016 0.000 1.193 207 I CB 1.733 39.688 38.000 -0.074 0.000 1.345 207 I HN 0.401 nan 8.210 nan 0.000 0.461 208 V N 6.736 126.691 119.914 0.068 0.000 2.709 208 V HA 0.380 4.504 4.120 0.008 0.000 0.308 208 V C -0.368 175.685 176.094 -0.068 0.000 1.062 208 V CA -0.874 61.419 62.300 -0.012 0.000 0.901 208 V CB 2.177 33.894 31.823 -0.177 0.000 1.003 208 V HN 0.741 nan 8.190 nan 0.000 0.425 209 K N 4.695 124.937 120.400 -0.264 0.000 2.402 209 K HA 0.180 4.505 4.320 0.008 0.000 0.285 209 K C 0.994 177.390 176.600 -0.341 0.000 1.054 209 K CA 0.333 56.223 56.287 -0.661 0.000 1.001 209 K CB 0.767 32.898 32.500 -0.615 0.000 0.946 209 K HN 0.709 nan 8.250 nan 0.000 0.473 210 K N 2.171 122.396 120.400 -0.292 0.000 2.032 210 K HA -0.199 4.125 4.320 0.008 0.000 0.209 210 K C 1.161 177.686 176.600 -0.126 0.000 1.048 210 K CA 2.178 58.373 56.287 -0.152 0.000 0.927 210 K CB 0.003 32.437 32.500 -0.110 0.000 0.712 210 K HN 0.801 nan 8.250 nan 0.000 0.441 211 D N 0.336 120.652 120.400 -0.141 0.000 2.317 211 D HA -0.141 4.504 4.640 0.008 0.000 0.211 211 D C 1.736 177.985 176.300 -0.085 0.000 0.966 211 D CA 0.496 54.438 54.000 -0.096 0.000 0.876 211 D CB -0.281 40.464 40.800 -0.092 0.000 0.927 211 D HN 0.070 nan 8.370 nan 0.000 0.519 212 L N -1.178 119.978 121.223 -0.112 0.000 2.131 212 L HA 0.100 4.445 4.340 0.008 0.000 0.210 212 L C 0.380 177.215 176.870 -0.059 0.000 1.092 212 L CA 1.168 55.956 54.840 -0.087 0.000 0.759 212 L CB -0.037 41.953 42.059 -0.115 0.000 0.903 212 L HN 0.113 nan 8.230 nan 0.000 0.435 218 E N 2.598 122.794 120.200 -0.007 0.000 2.568 218 E HA 0.233 4.588 4.350 0.008 0.000 0.262 218 E C 0.820 177.416 176.600 -0.007 0.000 0.961 218 E CA 1.173 57.568 56.400 -0.008 0.000 0.945 218 E CB 0.251 29.949 29.700 -0.004 0.000 0.924 218 E HN 1.046 nan 8.360 nan 0.000 0.467 219 Q N -1.426 118.368 119.800 -0.011 0.000 2.402 219 Q HA -0.159 4.185 4.340 0.008 0.000 0.156 219 Q C -0.044 175.949 176.000 -0.013 0.000 0.563 219 Q CA 0.927 56.725 55.803 -0.008 0.000 1.312 219 Q CB -1.632 27.105 28.738 -0.001 0.000 1.149 219 Q HN 0.633 nan 8.270 nan 0.000 1.029 220 V N 2.493 122.395 119.914 -0.021 0.000 2.498 220 V HA 0.255 4.380 4.120 0.008 0.000 0.279 220 V C -1.928 174.138 176.094 -0.046 0.000 1.048 220 V CA -1.056 61.226 62.300 -0.031 0.000 0.967 220 V CB 0.973 32.775 31.823 -0.036 0.000 0.988 220 V HN 0.008 nan 8.190 nan 0.000 0.473 221 P HA 0.032 nan 4.420 nan 0.000 0.264 221 P C 1.127 178.376 177.300 -0.085 0.000 1.179 221 P CA 0.364 63.435 63.100 -0.048 0.000 0.763 221 P CB 0.371 32.051 31.700 -0.033 0.000 0.806 222 T N 1.758 116.251 114.554 -0.102 0.000 2.665 222 T HA -0.185 4.170 4.350 0.008 0.000 0.268 222 T C 1.697 176.234 174.700 -0.273 0.000 1.035 222 T CA 1.394 63.370 62.100 -0.206 0.000 1.151 222 T CB -0.409 68.338 68.868 -0.201 0.000 0.862 222 T HN 0.373 nan 8.240 nan 0.000 0.438 223 M N 0.415 119.930 119.600 -0.142 0.000 2.460 223 M HA 0.146 4.630 4.480 0.008 0.000 0.263 223 M C 1.654 177.978 176.300 0.039 0.000 1.071 223 M CA 1.038 56.318 55.300 -0.032 0.000 1.096 223 M CB -0.891 31.753 32.600 0.073 0.000 1.408 223 M HN 0.269 nan 8.290 nan 0.000 0.463 224 L N -0.966 120.216 121.223 -0.068 0.000 2.640 224 L HA 0.102 4.447 4.340 0.008 0.000 0.230 224 L C 0.438 177.183 176.870 -0.208 0.000 1.123 224 L CA -0.107 54.659 54.840 -0.125 0.000 0.900 224 L CB 0.089 42.089 42.059 -0.099 0.000 1.146 224 L HN 0.196 nan 8.230 nan 0.000 0.484 225 Q N -0.799 118.892 119.800 -0.182 0.000 2.279 225 Q HA 0.099 4.443 4.340 0.008 0.000 0.256 225 Q C 0.200 176.119 176.000 -0.135 0.000 0.937 225 Q CA -0.251 55.450 55.803 -0.170 0.000 0.933 225 Q CB 0.979 29.633 28.738 -0.140 0.000 1.189 225 Q HN 0.187 nan 8.270 nan 0.000 0.417 226 Y N 1.376 121.701 120.300 0.041 0.000 2.193 226 Y HA -0.336 4.219 4.550 0.008 0.000 0.285 226 Y C 2.268 178.185 175.900 0.028 0.000 1.166 226 Y CA 1.296 59.438 58.100 0.070 0.000 1.181 226 Y CB -0.125 38.346 38.460 0.018 0.000 0.976 226 Y HN 0.813 nan 8.280 nan 0.000 0.520 227 A N -0.295 122.584 122.820 0.098 0.000 1.940 227 A HA -0.231 4.093 4.320 0.008 0.000 0.219 227 A C 2.256 179.800 177.584 -0.067 0.000 1.176 227 A CA 2.271 54.319 52.037 0.019 0.000 0.631 227 A CB -1.246 17.748 19.000 -0.010 0.000 0.814 227 A HN 0.434 nan 8.150 nan 0.000 0.446 228 T N -0.605 113.825 114.554 -0.207 0.000 2.684 228 T HA -0.164 4.190 4.350 0.008 0.000 0.267 228 T C 1.785 176.263 174.700 -0.370 0.000 1.036 228 T CA 1.687 63.528 62.100 -0.432 0.000 1.148 228 T CB -0.484 67.901 68.868 -0.806 0.000 0.863 228 T HN 0.665 nan 8.240 nan 0.000 0.436 229 H N 0.173 119.222 119.070 -0.035 0.000 2.436 229 H HA 0.181 4.742 4.556 0.008 0.000 0.294 229 H C 2.386 177.750 175.328 0.059 0.000 1.048 229 H CA 0.733 56.809 56.048 0.046 0.000 1.353 229 H CB -0.271 29.527 29.762 0.060 0.000 1.414 229 H HN 0.345 nan 8.280 nan 0.000 0.536 230 I N 1.014 121.667 120.570 0.138 0.000 2.142 230 I HA -0.265 3.910 4.170 0.008 0.000 0.240 230 I C 2.667 178.818 176.117 0.057 0.000 1.078 230 I CA 1.377 62.726 61.300 0.082 0.000 1.343 230 I CB -0.143 37.893 38.000 0.059 0.000 1.046 230 I HN 0.098 nan 8.210 nan 0.000 0.405 231 K N 0.575 120.995 120.400 0.033 0.000 2.148 231 K HA -0.095 4.230 4.320 0.008 0.000 0.204 231 K C 1.737 178.371 176.600 0.056 0.000 1.050 231 K CA 1.474 57.778 56.287 0.029 0.000 0.942 231 K CB 0.079 32.583 32.500 0.005 0.000 0.724 231 K HN 0.117 nan 8.250 nan 0.000 0.446 232 S N 0.778 116.528 115.700 0.083 0.000 2.556 232 S HA -0.002 4.472 4.470 0.008 0.000 0.216 232 S C -0.456 174.233 174.600 0.147 0.000 0.970 232 S CA 0.284 58.561 58.200 0.128 0.000 0.912 232 S CB 0.061 63.380 63.200 0.200 0.000 0.790 232 S HN 0.484 nan 8.310 nan 0.000 0.504 233 D N 1.603 122.086 120.400 0.138 0.000 2.708 233 D HA -0.181 4.463 4.640 0.008 0.000 0.236 233 D C 0.026 176.501 176.300 0.292 0.000 1.146 233 D CA 0.814 54.913 54.000 0.165 0.000 0.662 233 D CB -1.954 38.935 40.800 0.148 0.000 1.059 233 D HN 0.256 nan 8.370 nan 0.000 0.428 234 S N -2.036 113.840 115.700 0.294 0.000 3.521 234 S HA -0.254 4.221 4.470 0.008 0.000 0.328 234 S C 0.939 175.776 174.600 0.396 0.000 1.165 234 S CA 0.927 59.360 58.200 0.389 0.000 0.941 234 S CB -1.386 62.023 63.200 0.348 0.000 0.951 234 S HN 0.605 nan 8.310 nan 0.000 0.539 235 L N -0.711 120.683 121.223 0.285 0.000 3.168 235 L HA 0.312 4.656 4.340 0.008 0.000 0.277 235 L C 1.377 178.376 176.870 0.215 0.000 1.245 235 L CA -0.246 54.719 54.840 0.209 0.000 1.035 235 L CB -0.067 42.051 42.059 0.099 0.000 1.399 235 L HN 0.390 nan 8.230 nan 0.000 0.580 236 Y N 2.040 122.423 120.300 0.137 0.000 2.145 236 Y HA -0.136 4.419 4.550 0.008 0.000 0.286 236 Y C 1.475 177.420 175.900 0.075 0.000 1.145 236 Y CA 1.406 59.544 58.100 0.064 0.000 1.148 236 Y CB 0.295 38.729 38.460 -0.043 0.000 0.981 236 Y HN 0.479 nan 8.280 nan 0.000 0.507 237 N N -1.205 117.522 118.700 0.046 0.000 2.906 237 N HA 0.145 4.890 4.740 0.008 0.000 0.327 237 N C -0.997 174.431 175.510 -0.136 0.000 1.344 237 N CA -0.248 52.748 53.050 -0.090 0.000 0.823 237 N CB 0.430 38.907 38.487 -0.017 0.000 1.351 237 N HN -0.064 nan 8.380 nan 0.000 0.604 238 T N 2.285 116.650 114.554 -0.315 0.000 2.799 238 T HA 0.271 4.626 4.350 0.008 0.000 0.296 238 T C -2.086 172.459 174.700 -0.259 0.000 0.947 238 T CA -0.449 61.286 62.100 -0.608 0.000 1.141 238 T CB 0.526 69.059 68.868 -0.558 0.000 0.891 238 T HN 0.475 nan 8.240 nan 0.000 0.533 239 P HA 0.286 nan 4.420 nan 0.000 0.276 239 P C -2.703 174.558 177.300 -0.064 0.000 1.261 239 P CA -2.117 60.984 63.100 0.003 0.000 0.800 239 P CB -0.173 31.648 31.700 0.202 0.000 1.066 240 P HA 0.022 nan 4.420 nan 0.000 0.252 240 P C 1.081 178.385 177.300 0.007 0.000 1.727 240 P CA 0.091 63.184 63.100 -0.011 0.000 1.134 240 P CB -0.637 31.064 31.700 0.002 0.000 1.876 241 T N -0.563 113.946 114.554 -0.074 0.000 2.684 241 T HA -0.235 4.120 4.350 0.008 0.000 0.267 241 T C 1.469 176.231 174.700 0.102 0.000 1.036 241 T CA 0.875 62.911 62.100 -0.107 0.000 1.148 241 T CB -1.164 67.417 68.868 -0.479 0.000 0.863 241 T HN 0.105 nan 8.240 nan 0.000 0.436 242 F N 2.158 122.082 119.950 -0.043 0.000 2.186 242 F HA 0.023 4.554 4.527 0.007 0.000 0.299 242 F C 2.614 178.457 175.800 0.072 0.000 1.090 242 F CA 1.112 59.121 58.000 0.016 0.000 1.307 242 F CB -0.488 38.489 39.000 -0.037 0.000 1.019 242 F HN 0.129 nan 8.300 nan 0.000 0.489 243 S N 0.585 116.310 115.700 0.042 0.000 2.382 243 S HA -0.154 4.321 4.470 0.008 0.000 0.228 243 S C 2.107 176.594 174.600 -0.188 0.000 1.027 243 S CA 1.555 59.705 58.200 -0.084 0.000 0.991 243 S CB -0.436 62.741 63.200 -0.038 0.000 0.823 243 S HN 0.383 nan 8.310 nan 0.000 0.469 244 I N 0.180 120.667 120.570 -0.137 0.000 2.353 244 I HA -0.164 4.011 4.170 0.008 0.000 0.248 244 I C 2.217 178.216 176.117 -0.195 0.000 1.119 244 I CA 1.109 62.255 61.300 -0.257 0.000 1.417 244 I CB -0.364 37.547 38.000 -0.147 0.000 1.078 244 I HN 0.307 nan 8.210 nan 0.000 0.421 245 Y N 1.325 121.496 120.300 -0.215 0.000 2.128 245 Y HA -0.325 4.230 4.550 0.008 0.000 0.284 245 Y C 2.557 178.249 175.900 -0.347 0.000 1.154 245 Y CA 1.805 59.739 58.100 -0.275 0.000 1.149 245 Y CB -0.126 38.133 38.460 -0.335 0.000 0.976 245 Y HN 0.003 nan 8.280 nan 0.000 0.505 246 M N -0.353 118.898 119.600 -0.582 0.000 2.117 246 M HA -0.145 4.340 4.480 0.008 0.000 0.262 246 M C 2.283 178.337 176.300 -0.411 0.000 1.065 246 M CA 1.296 56.244 55.300 -0.587 0.000 1.114 246 M CB -1.454 30.863 32.600 -0.471 0.000 1.361 246 M HN 0.543 nan 8.290 nan 0.000 0.408 247 L N 0.639 121.657 121.223 -0.341 0.000 2.013 247 L HA -0.209 4.136 4.340 0.008 0.000 0.212 247 L C 2.655 179.378 176.870 -0.245 0.000 1.073 247 L CA 1.964 56.637 54.840 -0.278 0.000 0.753 247 L CB -0.747 41.109 42.059 -0.339 0.000 0.890 247 L HN 0.200 nan 8.230 nan 0.000 0.432 248 R N 0.079 120.410 120.500 -0.282 0.000 2.083 248 R HA -0.203 4.142 4.340 0.008 0.000 0.237 248 R C 2.038 178.215 176.300 -0.205 0.000 1.137 248 R CA 2.090 58.065 56.100 -0.208 0.000 0.951 248 R CB -0.964 29.220 30.300 -0.194 0.000 0.851 248 R HN 0.509 nan 8.270 nan 0.000 0.434 249 N N 0.196 118.691 118.700 -0.341 0.000 2.104 249 N HA -0.132 4.613 4.740 0.008 0.000 0.190 249 N C 1.843 177.284 175.510 -0.114 0.000 1.024 249 N CA 1.436 54.330 53.050 -0.260 0.000 0.853 249 N CB -0.448 37.803 38.487 -0.394 0.000 1.008 249 N HN 0.042 nan 8.380 nan 0.000 0.424 250 V N 1.226 121.063 119.914 -0.129 0.000 2.343 250 V HA -0.155 3.970 4.120 0.008 0.000 0.247 250 V C 2.250 178.414 176.094 0.117 0.000 1.051 250 V CA 1.180 63.469 62.300 -0.019 0.000 1.036 250 V CB -0.546 31.226 31.823 -0.085 0.000 0.654 250 V HN 0.253 nan 8.190 nan 0.000 0.451 251 L N -0.398 120.840 121.223 0.024 0.000 2.083 251 L HA -0.173 4.172 4.340 0.008 0.000 0.209 251 L C 2.365 179.265 176.870 0.050 0.000 1.083 251 L CA 1.420 56.283 54.840 0.039 0.000 0.752 251 L CB -0.732 41.323 42.059 -0.007 0.000 0.899 251 L HN 0.321 nan 8.230 nan 0.000 0.433 252 D N -0.672 119.752 120.400 0.040 0.000 2.144 252 D HA -0.235 4.409 4.640 0.008 0.000 0.199 252 D C 1.769 178.124 176.300 0.091 0.000 0.984 252 D CA 1.092 55.118 54.000 0.044 0.000 0.834 252 D CB -0.115 40.703 40.800 0.029 0.000 0.955 252 D HN 0.430 nan 8.370 nan 0.000 0.465 253 W N 1.553 122.820 121.300 -0.055 0.000 2.358 253 W HA -0.094 4.569 4.660 0.007 0.000 0.303 253 W C 2.093 178.593 176.519 -0.031 0.000 1.208 253 W CA 1.062 58.383 57.345 -0.041 0.000 1.274 253 W CB -0.398 29.034 29.460 -0.046 0.000 1.138 253 W HN -0.132 nan 8.180 nan 0.000 0.515 254 I N 0.802 121.385 120.570 0.022 0.000 2.226 254 I HA -0.327 3.848 4.170 0.008 0.000 0.245 254 I C 2.541 178.531 176.117 -0.211 0.000 1.100 254 I CA 1.894 63.061 61.300 -0.221 0.000 1.374 254 I CB -0.779 37.222 38.000 0.002 0.000 1.057 254 I HN -0.020 nan 8.210 nan 0.000 0.413 255 K N 1.092 121.430 120.400 -0.103 0.000 2.032 255 K HA -0.235 4.090 4.320 0.008 0.000 0.209 255 K C 1.667 178.194 176.600 -0.121 0.000 1.048 255 K CA 2.033 58.267 56.287 -0.089 0.000 0.927 255 K CB -0.051 32.423 32.500 -0.043 0.000 0.712 255 K HN 0.185 nan 8.250 nan 0.000 0.441 256 D N 0.831 121.151 120.400 -0.133 0.000 2.178 256 D HA -0.142 4.503 4.640 0.008 0.000 0.201 256 D C 1.705 177.887 176.300 -0.196 0.000 0.980 256 D CA 1.119 55.040 54.000 -0.132 0.000 0.842 256 D CB -0.081 40.662 40.800 -0.096 0.000 0.948 256 D HN 0.375 nan 8.370 nan 0.000 0.472 257 L N -3.539 117.489 121.223 -0.325 0.000 2.599 257 L HA 0.443 4.788 4.340 0.008 0.000 0.230 257 L C 1.396 178.138 176.870 -0.213 0.000 1.141 257 L CA 0.829 55.474 54.840 -0.325 0.000 0.877 257 L CB -0.032 41.703 42.059 -0.539 0.000 1.009 257 L HN 0.038 nan 8.230 nan 0.000 0.447 258 G N -2.340 106.358 108.800 -0.171 0.000 2.183 258 G HA2 0.272 4.237 3.960 0.008 0.000 0.168 258 G HA3 0.272 4.237 3.960 0.008 0.000 0.168 258 G C 0.734 175.574 174.900 -0.099 0.000 1.008 258 G CA -0.342 44.690 45.100 -0.113 0.000 0.677 258 G HN 1.269 nan 8.290 nan 0.000 0.498 259 G N -0.506 108.223 108.800 -0.118 0.000 2.632 259 G HA2 0.272 4.237 3.960 0.008 0.000 0.224 259 G HA3 0.272 4.237 3.960 0.008 0.000 0.224 259 G C 1.247 176.106 174.900 -0.070 0.000 1.341 259 G CA 1.460 46.510 45.100 -0.084 0.000 0.880 259 G HN 1.837 nan 8.290 nan 0.000 0.566 260 A N -0.928 121.867 122.820 -0.041 0.000 1.930 260 A HA 0.125 4.450 4.320 0.008 0.000 0.217 260 A C 2.094 179.670 177.584 -0.014 0.000 1.175 260 A CA 2.347 54.371 52.037 -0.022 0.000 0.627 260 A CB -0.477 18.517 19.000 -0.010 0.000 0.815 260 A HN 0.800 nan 8.150 nan 0.000 0.443 261 E N -0.197 119.992 120.200 -0.018 0.000 2.107 261 E HA -0.030 4.325 4.350 0.008 0.000 0.191 261 E C 2.268 178.856 176.600 -0.020 0.000 0.982 261 E CA 0.831 57.224 56.400 -0.011 0.000 0.809 261 E CB -0.249 29.445 29.700 -0.011 0.000 0.756 261 E HN 0.615 nan 8.360 nan 0.000 0.459 262 A N 1.016 123.810 122.820 -0.043 0.000 1.898 262 A HA -0.147 4.178 4.320 0.008 0.000 0.216 262 A C 2.165 179.713 177.584 -0.060 0.000 1.181 262 A CA 0.902 52.904 52.037 -0.059 0.000 0.620 262 A CB -0.381 18.562 19.000 -0.096 0.000 0.819 262 A HN 0.185 nan 8.150 nan 0.000 0.442 263 I N -0.261 120.269 120.570 -0.066 0.000 2.394 263 I HA -0.147 4.027 4.170 0.008 0.000 0.251 263 I C 2.656 178.781 176.117 0.014 0.000 1.136 263 I CA 1.140 62.417 61.300 -0.039 0.000 1.425 263 I CB -0.210 37.768 38.000 -0.036 0.000 1.079 263 I HN 0.304 nan 8.210 nan 0.000 0.425 264 A N 0.071 122.902 122.820 0.018 0.000 1.908 264 A HA -0.265 4.059 4.320 0.008 0.000 0.218 264 A C 2.348 179.953 177.584 0.035 0.000 1.181 264 A CA 1.871 53.931 52.037 0.038 0.000 0.627 264 A CB -0.584 18.437 19.000 0.036 0.000 0.818 264 A HN 0.391 nan 8.150 nan 0.000 0.445 265 K N -0.623 119.788 120.400 0.019 0.000 2.063 265 K HA -0.201 4.123 4.320 0.008 0.000 0.208 265 K C 2.365 178.981 176.600 0.027 0.000 1.048 265 K CA 1.762 58.060 56.287 0.019 0.000 0.928 265 K CB -0.228 32.274 32.500 0.004 0.000 0.713 265 K HN 0.636 nan 8.250 nan 0.000 0.442 266 Q N 0.362 120.175 119.800 0.023 0.000 2.084 266 Q HA -0.130 4.214 4.340 0.008 0.000 0.202 266 Q C 1.834 177.870 176.000 0.061 0.000 0.978 266 Q CA 1.183 57.009 55.803 0.038 0.000 0.844 266 Q CB -0.098 28.662 28.738 0.037 0.000 0.898 266 Q HN 0.302 nan 8.270 nan 0.000 0.426 267 N N 0.768 119.511 118.700 0.071 0.000 2.188 267 N HA -0.128 4.616 4.740 0.008 0.000 0.184 267 N C 1.423 176.986 175.510 0.088 0.000 1.018 267 N CA 1.027 54.131 53.050 0.090 0.000 0.858 267 N CB -0.066 38.483 38.487 0.104 0.000 0.989 267 N HN 0.331 nan 8.380 nan 0.000 0.426 268 E N 0.452 120.698 120.200 0.077 0.000 2.110 268 E HA -0.195 4.160 4.350 0.008 0.000 0.193 268 E C 1.634 178.279 176.600 0.074 0.000 0.988 268 E CA 0.880 57.327 56.400 0.078 0.000 0.804 268 E CB 0.042 29.777 29.700 0.059 0.000 0.745 268 E HN 0.318 nan 8.360 nan 0.000 0.458 269 E N 1.543 121.779 120.200 0.059 0.000 2.072 269 E HA -0.170 4.185 4.350 0.008 0.000 0.191 269 E C 1.621 178.254 176.600 0.055 0.000 0.985 269 E CA 1.395 57.826 56.400 0.051 0.000 0.801 269 E CB 0.080 29.805 29.700 0.041 0.000 0.750 269 E HN 0.051 nan 8.360 nan 0.000 0.452 270 K N 0.039 120.475 120.400 0.061 0.000 2.032 270 K HA -0.109 4.216 4.320 0.008 0.000 0.209 270 K C 2.190 178.815 176.600 0.042 0.000 1.048 270 K CA 1.515 57.838 56.287 0.059 0.000 0.927 270 K CB -0.328 32.217 32.500 0.074 0.000 0.712 270 K HN 0.220 nan 8.250 nan 0.000 0.441 271 A N 1.652 124.512 122.820 0.067 0.000 1.902 271 A HA -0.218 4.107 4.320 0.008 0.000 0.217 271 A C 2.055 179.709 177.584 0.117 0.000 1.181 271 A CA 1.728 53.807 52.037 0.071 0.000 0.623 271 A CB -0.428 18.700 19.000 0.214 0.000 0.818 271 A HN 0.271 nan 8.150 nan 0.000 0.443 272 K N -0.153 120.326 120.400 0.132 0.000 2.063 272 K HA -0.148 4.177 4.320 0.008 0.000 0.208 272 K C 1.792 178.426 176.600 0.056 0.000 1.048 272 K CA 1.775 58.133 56.287 0.118 0.000 0.928 272 K CB -0.361 32.184 32.500 0.076 0.000 0.713 272 K HN 0.495 nan 8.250 nan 0.000 0.442 273 I N 0.994 121.574 120.570 0.015 0.000 2.208 273 I HA -0.306 3.868 4.170 0.008 0.000 0.245 273 I C 2.204 178.269 176.117 -0.086 0.000 1.097 273 I CA 1.311 62.597 61.300 -0.022 0.000 1.363 273 I CB -0.173 37.820 38.000 -0.012 0.000 1.051 273 I HN 0.209 nan 8.210 nan 0.000 0.413 274 I N -0.841 119.637 120.570 -0.153 0.000 2.233 274 I HA -0.262 3.913 4.170 0.008 0.000 0.243 274 I C 2.341 178.269 176.117 -0.316 0.000 1.093 274 I CA 1.472 62.583 61.300 -0.314 0.000 1.380 274 I CB -0.534 37.217 38.000 -0.416 0.000 1.067 274 I HN 0.127 nan 8.210 nan 0.000 0.413 275 Y N 1.188 121.418 120.300 -0.118 0.000 2.242 275 Y HA -0.241 4.315 4.550 0.009 0.000 0.291 275 Y C 2.349 178.196 175.900 -0.087 0.000 1.137 275 Y CA 0.895 58.934 58.100 -0.101 0.000 1.181 275 Y CB -0.289 38.141 38.460 -0.050 0.000 0.989 275 Y HN 0.172 nan 8.280 nan 0.000 0.527 276 D N -0.720 119.726 120.400 0.076 0.000 2.144 276 D HA -0.138 4.506 4.640 0.008 0.000 0.199 276 D C 2.061 178.353 176.300 -0.013 0.000 0.984 276 D CA 1.685 55.703 54.000 0.029 0.000 0.834 276 D CB -0.480 40.331 40.800 0.018 0.000 0.955 276 D HN 0.272 nan 8.370 nan 0.000 0.465 277 T N 0.778 115.288 114.554 -0.073 0.000 2.777 277 T HA -0.049 4.306 4.350 0.008 0.000 0.266 277 T C 2.224 176.873 174.700 -0.085 0.000 1.040 277 T CA 0.512 62.547 62.100 -0.109 0.000 1.141 277 T CB -0.130 68.609 68.868 -0.214 0.000 0.868 277 T HN 0.152 nan 8.240 nan 0.000 0.444 278 I N 1.379 121.864 120.570 -0.142 0.000 2.142 278 I HA -0.180 3.995 4.170 0.008 0.000 0.240 278 I C 2.260 178.406 176.117 0.048 0.000 1.078 278 I CA 1.280 62.546 61.300 -0.056 0.000 1.343 278 I CB -0.339 37.599 38.000 -0.103 0.000 1.046 278 I HN 0.124 nan 8.210 nan 0.000 0.405 279 D N 0.606 121.031 120.400 0.041 0.000 2.219 279 D HA -0.147 4.498 4.640 0.008 0.000 0.205 279 D C 1.765 178.088 176.300 0.038 0.000 0.970 279 D CA 1.078 55.105 54.000 0.045 0.000 0.851 279 D CB -0.176 40.647 40.800 0.039 0.000 0.943 279 D HN 0.450 nan 8.370 nan 0.000 0.488 280 E N 0.029 120.249 120.200 0.033 0.000 2.489 280 E HA 0.001 4.356 4.350 0.008 0.000 0.193 280 E C 1.305 177.928 176.600 0.038 0.000 1.057 280 E CA -0.019 56.397 56.400 0.026 0.000 0.866 280 E CB 0.224 29.931 29.700 0.012 0.000 0.916 280 E HN 0.135 nan 8.360 nan 0.000 0.500 281 S N 0.044 115.787 115.700 0.073 0.000 2.631 281 S HA -0.012 4.463 4.470 0.008 0.000 0.217 281 S C 0.363 175.007 174.600 0.073 0.000 0.958 281 S CA -0.106 58.153 58.200 0.097 0.000 0.920 281 S CB -0.440 62.905 63.200 0.243 0.000 0.776 281 S HN 0.289 nan 8.310 nan 0.000 0.517 282 N N 0.903 119.635 118.700 0.054 0.000 2.721 282 N HA -0.175 4.570 4.740 0.008 0.000 0.249 282 N C 0.696 176.241 175.510 0.059 0.000 1.072 282 N CA 0.330 53.406 53.050 0.044 0.000 0.710 282 N CB -1.519 36.984 38.487 0.027 0.000 0.993 282 N HN 0.861 nan 8.380 nan 0.000 0.547 283 G N -1.280 107.560 108.800 0.067 0.000 2.179 283 G HA2 -0.400 3.565 3.960 0.008 0.000 0.260 283 G HA3 -0.400 3.565 3.960 0.008 0.000 0.260 283 G C 0.565 175.485 174.900 0.033 0.000 0.977 283 G CA 0.406 45.537 45.100 0.051 0.000 0.641 283 G HN 0.472 nan 8.290 nan 0.000 0.533 284 F N 0.699 120.567 119.950 -0.136 0.000 2.186 284 F HA 0.314 4.846 4.527 0.009 0.000 0.299 284 F C 1.091 176.623 175.800 -0.446 0.000 1.090 284 F CA 1.028 58.847 58.000 -0.302 0.000 1.307 284 F CB 0.096 38.850 39.000 -0.411 0.000 1.019 284 F HN 0.240 nan 8.300 nan 0.000 0.489 285 Y N -0.279 120.093 120.300 0.121 0.000 2.352 285 Y HA 0.548 5.102 4.550 0.008 0.000 0.339 285 Y C -0.575 175.334 175.900 0.015 0.000 0.992 285 Y CA -1.307 56.799 58.100 0.009 0.000 1.100 285 Y CB 1.549 39.934 38.460 -0.125 0.000 1.192 285 Y HN -0.463 nan 8.280 nan 0.000 0.458 286 V N 2.706 122.739 119.914 0.199 0.000 2.531 286 V HA 0.589 4.714 4.120 0.008 0.000 0.301 286 V C 0.305 176.513 176.094 0.190 0.000 1.034 286 V CA -0.960 61.435 62.300 0.158 0.000 0.865 286 V CB 1.673 33.572 31.823 0.126 0.000 0.995 286 V HN 0.977 nan 8.190 nan 0.000 0.424 287 G N 1.499 110.397 108.800 0.163 0.000 2.503 287 G HA2 0.331 4.296 3.960 0.008 0.000 0.257 287 G HA3 0.331 4.296 3.960 0.008 0.000 0.257 287 G C 0.490 175.527 174.900 0.228 0.000 1.214 287 G CA -0.153 45.040 45.100 0.154 0.000 0.839 287 G HN 0.793 nan 8.290 nan 0.000 0.559 288 H N 1.198 120.382 119.070 0.190 0.000 2.363 288 H HA 0.116 4.677 4.556 0.008 0.000 0.301 288 H C 1.979 177.399 175.328 0.155 0.000 1.074 288 H CA 0.755 56.902 56.048 0.164 0.000 1.354 288 H CB -0.501 29.371 29.762 0.183 0.000 1.397 288 H HN 0.547 nan 8.280 nan 0.000 0.516 289 A N 1.644 124.636 122.820 0.286 0.000 2.388 289 A HA 0.113 4.437 4.320 0.008 0.000 0.257 289 A C 0.310 177.959 177.584 0.108 0.000 1.095 289 A CA -0.394 51.759 52.037 0.193 0.000 0.791 289 A CB 0.248 19.355 19.000 0.179 0.000 1.029 289 A HN 0.338 nan 8.150 nan 0.000 0.489 290 E N 1.006 121.249 120.200 0.071 0.000 2.442 290 E HA -0.022 4.333 4.350 0.008 0.000 0.262 290 E C 0.591 177.177 176.600 -0.023 0.000 1.004 290 E CA 0.059 56.472 56.400 0.022 0.000 0.928 290 E CB 0.622 30.326 29.700 0.006 0.000 0.937 290 E HN 0.636 nan 8.360 nan 0.000 0.446 291 K N 1.733 122.103 120.400 -0.049 0.000 2.103 291 K HA -0.157 4.167 4.320 0.008 0.000 0.207 291 K C 1.865 178.393 176.600 -0.119 0.000 1.048 291 K CA 1.294 57.514 56.287 -0.110 0.000 0.930 291 K CB -0.140 32.303 32.500 -0.094 0.000 0.716 291 K HN 0.644 nan 8.250 nan 0.000 0.444 292 G N -0.012 108.738 108.800 -0.084 0.000 2.598 292 G HA2 -0.130 3.835 3.960 0.008 0.000 0.215 292 G HA3 -0.130 3.835 3.960 0.008 0.000 0.215 292 G C 1.072 175.921 174.900 -0.085 0.000 1.131 292 G CA 0.395 45.442 45.100 -0.088 0.000 0.785 292 G HN 0.148 nan 8.290 nan 0.000 0.539 293 S N -0.460 115.201 115.700 -0.065 0.000 2.629 293 S HA 0.259 4.734 4.470 0.008 0.000 0.236 293 S C 0.829 175.427 174.600 -0.004 0.000 1.010 293 S CA -0.658 57.519 58.200 -0.038 0.000 0.981 293 S CB 0.554 63.743 63.200 -0.017 0.000 0.919 293 S HN 0.310 nan 8.310 nan 0.000 0.514 294 R N 2.319 122.783 120.500 -0.059 0.000 2.522 294 R HA 0.146 4.491 4.340 0.008 0.000 0.284 294 R C 0.414 176.757 176.300 0.071 0.000 1.032 294 R CA 0.137 56.207 56.100 -0.050 0.000 1.049 294 R CB 0.356 30.390 30.300 -0.443 0.000 0.956 294 R HN 0.128 nan 8.270 nan 0.000 0.422 295 S N 2.547 118.373 115.700 0.209 0.000 2.564 295 S HA 0.094 4.569 4.470 0.008 0.000 0.278 295 S C 1.251 176.030 174.600 0.299 0.000 1.333 295 S CA -0.607 57.733 58.200 0.234 0.000 1.048 295 S CB 0.529 63.873 63.200 0.240 0.000 0.900 295 S HN 0.554 nan 8.310 nan 0.000 0.505 296 L N 4.279 125.638 121.223 0.226 0.000 2.591 296 L HA 0.102 4.447 4.340 0.008 0.000 0.228 296 L C 1.681 178.652 176.870 0.168 0.000 1.133 296 L CA 0.170 55.137 54.840 0.212 0.000 0.880 296 L CB -0.226 41.932 42.059 0.165 0.000 1.033 296 L HN 0.660 nan 8.230 nan 0.000 0.450 297 M N -1.037 118.667 119.600 0.173 0.000 2.740 297 M HA 0.170 4.655 4.480 0.008 0.000 0.253 297 M C -0.217 176.099 176.300 0.026 0.000 1.341 297 M CA 0.680 56.069 55.300 0.149 0.000 1.176 297 M CB -0.020 32.751 32.600 0.285 0.000 1.310 297 M HN 0.113 nan 8.290 nan 0.000 0.531 298 N N 0.190 118.945 118.700 0.092 0.000 2.519 298 N HA 0.382 5.126 4.740 0.008 0.000 0.286 298 N C -1.243 174.322 175.510 0.092 0.000 1.079 298 N CA -0.188 52.896 53.050 0.057 0.000 0.878 298 N CB 2.750 41.309 38.487 0.120 0.000 1.375 298 N HN -0.215 nan 8.380 nan 0.000 0.514 299 V N 1.735 121.664 119.914 0.024 0.000 2.333 299 V HA 0.462 4.586 4.120 0.008 0.000 0.274 299 V C 0.168 176.310 176.094 0.081 0.000 1.028 299 V CA -0.539 61.756 62.300 -0.007 0.000 0.851 299 V CB 0.702 32.352 31.823 -0.289 0.000 1.000 299 V HN 0.769 nan 8.190 nan 0.000 0.456 300 T N 3.196 117.798 114.554 0.081 0.000 2.824 300 T HA 0.868 5.222 4.350 0.008 0.000 0.280 300 T C -0.737 173.766 174.700 -0.327 0.000 0.995 300 T CA -0.529 61.505 62.100 -0.110 0.000 1.009 300 T CB 1.364 70.234 68.868 0.004 0.000 0.955 300 T HN 0.627 nan 8.240 nan 0.000 0.452 301 F N 0.138 119.701 119.950 -0.645 0.000 2.741 301 F HA 0.776 5.307 4.527 0.007 0.000 0.311 301 F C -1.463 174.193 175.800 -0.241 0.000 1.149 301 F CA -1.379 56.308 58.000 -0.521 0.000 0.930 301 F CB 1.106 39.954 39.000 -0.254 0.000 1.312 301 F HN 0.790 nan 8.300 nan 0.000 0.450 302 N N 0.323 119.099 118.700 0.126 0.000 2.455 302 N HA 0.712 5.456 4.740 0.008 0.000 0.278 302 N C -1.973 173.608 175.510 0.119 0.000 1.291 302 N CA -0.835 52.266 53.050 0.085 0.000 0.780 302 N CB 1.967 40.533 38.487 0.130 0.000 1.520 302 N HN 0.656 nan 8.380 nan 0.000 0.486 303 L N 0.126 121.341 121.223 -0.013 0.000 2.567 303 L HA 0.497 4.842 4.340 0.008 0.000 0.238 303 L C 1.896 178.651 176.870 -0.192 0.000 1.168 303 L CA -0.530 54.184 54.840 -0.210 0.000 0.817 303 L CB 0.351 42.225 42.059 -0.308 0.000 1.409 303 L HN 0.609 nan 8.230 nan 0.000 0.502 304 R N -0.247 120.074 120.500 -0.299 0.000 2.189 304 R HA -0.001 4.344 4.340 0.008 0.000 0.218 304 R C -0.476 175.763 176.300 -0.102 0.000 1.074 304 R CA 0.723 56.716 56.100 -0.178 0.000 0.991 304 R CB -0.303 29.878 30.300 -0.198 0.000 0.883 304 R HN 0.819 nan 8.270 nan 0.000 0.457 305 N N -2.091 116.553 118.700 -0.094 0.000 2.732 305 N HA -0.009 4.736 4.740 0.008 0.000 0.259 305 N C -0.068 175.425 175.510 -0.029 0.000 1.402 305 N CA -0.708 52.314 53.050 -0.047 0.000 0.829 305 N CB 0.794 39.260 38.487 -0.035 0.000 1.495 305 N HN -0.325 nan 8.380 nan 0.000 0.511 306 E N 0.098 120.291 120.200 -0.012 0.000 2.150 306 E HA -0.182 4.173 4.350 0.008 0.000 0.193 306 E C 1.268 177.876 176.600 0.013 0.000 0.985 306 E CA 1.602 58.001 56.400 -0.002 0.000 0.814 306 E CB -0.060 29.639 29.700 -0.001 0.000 0.752 306 E HN 0.746 nan 8.360 nan 0.000 0.466 307 E N -0.076 120.134 120.200 0.018 0.000 2.058 307 E HA -0.205 4.150 4.350 0.008 0.000 0.194 307 E C 2.058 178.702 176.600 0.072 0.000 0.997 307 E CA 1.420 57.844 56.400 0.040 0.000 0.801 307 E CB -0.228 29.493 29.700 0.035 0.000 0.746 307 E HN 0.365 nan 8.360 nan 0.000 0.450 308 L N 0.737 121.997 121.223 0.063 0.000 2.056 308 L HA -0.162 4.182 4.340 0.008 0.000 0.207 308 L C 2.437 179.378 176.870 0.117 0.000 1.078 308 L CA 0.757 55.672 54.840 0.125 0.000 0.749 308 L CB -0.482 41.589 42.059 0.021 0.000 0.901 308 L HN 0.221 nan 8.230 nan 0.000 0.433 309 N N -0.266 118.458 118.700 0.041 0.000 2.061 309 N HA -0.220 4.525 4.740 0.008 0.000 0.193 309 N C 1.889 177.440 175.510 0.068 0.000 1.030 309 N CA 1.279 54.355 53.050 0.044 0.000 0.856 309 N CB -0.195 38.294 38.487 0.005 0.000 1.023 309 N HN 0.268 nan 8.380 nan 0.000 0.424 310 Q N 0.963 120.794 119.800 0.051 0.000 2.119 310 Q HA -0.045 4.300 4.340 0.008 0.000 0.201 310 Q C 2.047 178.080 176.000 0.055 0.000 0.972 310 Q CA 1.040 56.866 55.803 0.039 0.000 0.847 310 Q CB -0.413 28.345 28.738 0.033 0.000 0.903 310 Q HN 0.557 nan 8.270 nan 0.000 0.433 311 Q N -0.686 119.187 119.800 0.120 0.000 2.084 311 Q HA -0.150 4.194 4.340 0.008 0.000 0.202 311 Q C 1.875 177.926 176.000 0.086 0.000 0.978 311 Q CA 1.358 57.277 55.803 0.194 0.000 0.844 311 Q CB -0.258 28.712 28.738 0.388 0.000 0.898 311 Q HN 0.324 nan 8.270 nan 0.000 0.426 312 F N 1.009 120.782 119.950 -0.296 0.000 2.134 312 F HA -0.166 4.366 4.527 0.008 0.000 0.299 312 F C 1.713 177.298 175.800 -0.359 0.000 1.097 312 F CA 1.195 58.718 58.000 -0.796 0.000 1.264 312 F CB -0.118 38.413 39.000 -0.781 0.000 1.001 312 F HN -0.042 nan 8.300 nan 0.000 0.479 313 L N -0.094 120.969 121.223 -0.267 0.000 2.093 313 L HA -0.156 4.188 4.340 0.008 0.000 0.208 313 L C 2.780 179.508 176.870 -0.238 0.000 1.085 313 L CA 1.037 55.694 54.840 -0.305 0.000 0.755 313 L CB -1.107 40.890 42.059 -0.103 0.000 0.904 313 L HN 0.271 nan 8.230 nan 0.000 0.435 314 A N 0.166 122.906 122.820 -0.133 0.000 1.898 314 A HA -0.241 4.084 4.320 0.008 0.000 0.216 314 A C 2.302 179.846 177.584 -0.067 0.000 1.181 314 A CA 1.907 53.907 52.037 -0.061 0.000 0.620 314 A CB -0.351 18.649 19.000 -0.000 0.000 0.819 314 A HN 0.228 nan 8.150 nan 0.000 0.442 315 K N 0.293 120.631 120.400 -0.102 0.000 2.057 315 K HA 0.028 4.352 4.320 0.008 0.000 0.207 315 K C 1.976 178.502 176.600 -0.123 0.000 1.049 315 K CA 1.624 57.880 56.287 -0.053 0.000 0.931 315 K CB -0.570 31.952 32.500 0.036 0.000 0.714 315 K HN 0.307 nan 8.250 nan 0.000 0.440 316 A N 0.923 123.522 122.820 -0.369 0.000 1.902 316 A HA -0.210 4.115 4.320 0.008 0.000 0.217 316 A C 2.149 179.782 177.584 0.081 0.000 1.181 316 A CA 2.019 53.880 52.037 -0.293 0.000 0.623 316 A CB -0.608 17.982 19.000 -0.685 0.000 0.818 316 A HN 0.425 nan 8.150 nan 0.000 0.443 317 K N -0.297 120.101 120.400 -0.003 0.000 2.057 317 K HA -0.197 4.128 4.320 0.008 0.000 0.207 317 K C 2.082 178.732 176.600 0.083 0.000 1.049 317 K CA 1.599 57.926 56.287 0.065 0.000 0.931 317 K CB -0.178 32.332 32.500 0.018 0.000 0.714 317 K HN 0.626 nan 8.250 nan 0.000 0.440 318 E N -0.016 120.221 120.200 0.062 0.000 2.160 318 E HA -0.206 4.149 4.350 0.008 0.000 0.195 318 E C 1.231 177.894 176.600 0.104 0.000 0.991 318 E CA 1.023 57.465 56.400 0.069 0.000 0.810 318 E CB 0.223 29.959 29.700 0.060 0.000 0.742 318 E HN 0.306 nan 8.360 nan 0.000 0.466 319 Q N -0.928 118.978 119.800 0.177 0.000 2.320 319 Q HA 0.106 4.451 4.340 0.008 0.000 0.201 319 Q C 0.911 177.042 176.000 0.218 0.000 0.910 319 Q CA 0.760 56.708 55.803 0.243 0.000 0.946 319 Q CB 1.193 30.153 28.738 0.369 0.000 1.062 319 Q HN 0.478 nan 8.270 nan 0.000 0.503 320 G N 0.436 109.324 108.800 0.146 0.000 2.159 320 G HA2 -0.235 3.729 3.960 0.008 0.000 0.227 320 G HA3 -0.235 3.729 3.960 0.008 0.000 0.227 320 G C -0.255 174.638 174.900 -0.011 0.000 0.986 320 G CA -0.519 44.578 45.100 -0.006 0.000 0.651 320 G HN 0.248 nan 8.290 nan 0.000 0.523 321 F N 0.602 120.684 119.950 0.220 0.000 2.427 321 F HA 0.570 5.102 4.527 0.009 0.000 0.352 321 F C 0.770 176.663 175.800 0.155 0.000 1.100 321 F CA -0.540 57.619 58.000 0.266 0.000 1.191 321 F CB 1.643 40.728 39.000 0.142 0.000 1.128 321 F HN -0.024 nan 8.300 nan 0.000 0.533 322 V N 2.132 122.249 119.914 0.339 0.000 2.495 322 V HA 0.674 4.799 4.120 0.008 0.000 0.298 322 V C 0.502 176.742 176.094 0.242 0.000 1.031 322 V CA -0.305 62.121 62.300 0.210 0.000 0.871 322 V CB 1.052 32.949 31.823 0.123 0.000 0.988 322 V HN 0.983 nan 8.190 nan 0.000 0.432 323 G N 3.422 112.319 108.800 0.160 0.000 2.175 323 G HA2 -0.209 3.756 3.960 0.008 0.000 0.244 323 G HA3 -0.209 3.756 3.960 0.008 0.000 0.244 323 G C 0.538 175.506 174.900 0.113 0.000 0.982 323 G CA 0.290 45.477 45.100 0.145 0.000 0.641 323 G HN 0.624 nan 8.290 nan 0.000 0.527 324 L N 0.408 121.675 121.223 0.073 0.000 2.478 324 L HA 0.132 4.477 4.340 0.008 0.000 0.223 324 L C 1.011 177.845 176.870 -0.061 0.000 1.140 324 L CA -0.016 54.810 54.840 -0.022 0.000 0.842 324 L CB -0.371 41.631 42.059 -0.095 0.000 0.953 324 L HN 0.160 nan 8.230 nan 0.000 0.452 325 N N 1.422 120.102 118.700 -0.032 0.000 2.454 325 N HA 0.071 4.816 4.740 0.008 0.000 0.260 325 N C 0.539 176.024 175.510 -0.042 0.000 1.218 325 N CA 0.326 53.347 53.050 -0.048 0.000 0.904 325 N CB 0.723 39.192 38.487 -0.030 0.000 1.065 325 N HN 0.066 nan 8.380 nan 0.000 0.462 326 G N 0.593 109.355 108.800 -0.064 0.000 2.699 326 G HA2 -0.072 3.893 3.960 0.008 0.000 0.246 326 G HA3 -0.072 3.893 3.960 0.008 0.000 0.246 326 G C 0.057 174.969 174.900 0.019 0.000 1.219 326 G CA -0.284 44.802 45.100 -0.024 0.000 0.866 326 G HN 0.673 nan 8.290 nan 0.000 0.572 327 H N 0.823 119.869 119.070 -0.038 0.000 2.972 327 H HA -0.045 4.516 4.556 0.008 0.000 0.343 327 H C 2.079 177.377 175.328 -0.051 0.000 1.054 327 H CA 0.465 56.491 56.048 -0.036 0.000 1.412 327 H CB 0.686 30.409 29.762 -0.064 0.000 1.385 327 H HN 0.682 nan 8.280 nan 0.000 0.600 328 R N 2.013 122.235 120.500 -0.462 0.000 2.139 328 R HA -0.163 4.181 4.340 0.008 0.000 0.243 328 R C 1.720 177.983 176.300 -0.061 0.000 1.145 328 R CA 1.849 57.804 56.100 -0.240 0.000 0.976 328 R CB -0.624 29.506 30.300 -0.283 0.000 0.866 328 R HN 0.544 nan 8.270 nan 0.000 0.449 329 S N 0.578 116.354 115.700 0.127 0.000 2.481 329 S HA -0.037 4.438 4.470 0.008 0.000 0.231 329 S C 1.920 176.565 174.600 0.074 0.000 0.996 329 S CA 0.671 58.970 58.200 0.164 0.000 0.942 329 S CB 0.170 63.523 63.200 0.256 0.000 0.768 329 S HN 0.424 nan 8.310 nan 0.000 0.520 330 V N -3.483 116.457 119.914 0.043 0.000 3.497 330 V HA 0.649 4.774 4.120 0.008 0.000 0.272 330 V C 1.181 177.261 176.094 -0.023 0.000 1.474 330 V CA 0.099 62.379 62.300 -0.033 0.000 1.025 330 V CB -0.698 31.027 31.823 -0.163 0.000 0.820 330 V HN 0.844 nan 8.190 nan 0.000 0.437 331 G N 0.493 109.289 108.800 -0.007 0.000 2.645 331 G HA2 0.267 4.232 3.960 0.008 0.000 0.239 331 G HA3 0.267 4.232 3.960 0.008 0.000 0.239 331 G C 0.981 175.885 174.900 0.007 0.000 1.331 331 G CA 0.214 45.307 45.100 -0.011 0.000 0.890 331 G HN 2.341 nan 8.290 nan 0.000 0.572 332 G N -1.901 106.897 108.800 -0.004 0.000 2.574 332 G HA2 0.069 4.034 3.960 0.008 0.000 0.282 332 G HA3 0.069 4.034 3.960 0.008 0.000 0.282 332 G C 0.545 175.346 174.900 -0.166 0.000 1.257 332 G CA 1.186 46.260 45.100 -0.043 0.000 0.956 332 G HN 2.336 nan 8.290 nan 0.000 0.560 333 C N -0.554 118.508 119.300 -0.396 0.000 2.561 333 C HA 0.918 5.382 4.460 0.008 0.000 0.319 333 C C 0.388 175.055 174.990 -0.538 0.000 1.198 333 C CA -0.533 58.120 59.018 -0.609 0.000 1.665 333 C CB 1.729 28.705 27.740 -1.272 0.000 2.258 333 C HN 0.978 nan 8.230 nan 0.000 0.493 334 R N 1.212 121.530 120.500 -0.304 0.000 2.510 334 R HA 0.605 4.950 4.340 0.008 0.000 0.294 334 R C -1.116 175.145 176.300 -0.065 0.000 1.056 334 R CA -0.085 55.935 56.100 -0.134 0.000 0.918 334 R CB 1.080 31.363 30.300 -0.029 0.000 1.187 334 R HN 0.947 nan 8.270 nan 0.000 0.437 335 A N 3.214 126.024 122.820 -0.016 0.000 2.294 335 A HA 0.404 4.729 4.320 0.008 0.000 0.316 335 A C -0.565 177.058 177.584 0.064 0.000 1.359 335 A CA -0.422 51.603 52.037 -0.020 0.000 0.956 335 A CB 0.950 19.863 19.000 -0.145 0.000 1.155 335 A HN 0.652 nan 8.150 nan 0.000 0.544 336 S N 2.151 117.910 115.700 0.097 0.000 2.465 336 S HA 0.431 4.906 4.470 0.008 0.000 0.279 336 S C 0.468 174.964 174.600 -0.173 0.000 1.201 336 S CA -0.307 57.764 58.200 -0.215 0.000 1.053 336 S CB 0.118 63.092 63.200 -0.376 0.000 0.953 336 S HN 0.751 nan 8.310 nan 0.000 0.488 337 I N 0.064 120.473 120.570 -0.269 0.000 3.061 337 I HA 0.405 4.580 4.170 0.008 0.000 0.341 337 I C -0.578 175.525 176.117 -0.023 0.000 1.457 337 I CA -0.855 60.402 61.300 -0.072 0.000 0.921 337 I CB -0.279 37.758 38.000 0.062 0.000 1.845 337 I HN 0.438 nan 8.210 nan 0.000 0.535 338 Y N 0.735 121.080 120.300 0.076 0.000 2.379 338 Y HA 0.033 4.588 4.550 0.008 0.000 0.354 338 Y C 1.786 177.727 175.900 0.068 0.000 1.269 338 Y CA -0.272 57.867 58.100 0.064 0.000 1.532 338 Y CB 0.115 38.599 38.460 0.039 0.000 1.371 338 Y HN 0.261 nan 8.280 nan 0.000 0.666 339 N N 0.796 119.661 118.700 0.275 0.000 2.069 339 N HA -0.253 4.492 4.740 0.008 0.000 0.196 339 N C 1.490 177.167 175.510 0.279 0.000 1.024 339 N CA 1.857 55.065 53.050 0.263 0.000 0.869 339 N CB -0.600 38.062 38.487 0.291 0.000 1.035 339 N HN 0.715 nan 8.380 nan 0.000 0.434 340 A N 0.200 123.090 122.820 0.117 0.000 2.251 340 A HA 0.183 4.508 4.320 0.008 0.000 0.209 340 A C 0.512 178.075 177.584 -0.035 0.000 1.187 340 A CA -0.181 51.813 52.037 -0.071 0.000 0.823 340 A CB 0.163 18.966 19.000 -0.329 0.000 0.846 340 A HN 0.025 nan 8.150 nan 0.000 0.486 341 V N 3.430 123.346 119.914 0.004 0.000 2.485 341 V HA 0.143 4.268 4.120 0.008 0.000 0.287 341 V C -1.983 174.098 176.094 -0.021 0.000 1.022 341 V CA -1.128 61.121 62.300 -0.084 0.000 1.067 341 V CB 0.502 32.227 31.823 -0.163 0.000 0.967 341 V HN 0.345 nan 8.190 nan 0.000 0.479 342 P HA 0.345 nan 4.420 nan 0.000 0.279 342 P C 1.088 178.417 177.300 0.048 0.000 1.252 342 P CA -0.472 62.657 63.100 0.048 0.000 0.811 342 P CB 1.382 33.112 31.700 0.050 0.000 1.035 343 I N 0.332 120.944 120.570 0.070 0.000 2.264 343 I HA -0.245 3.929 4.170 0.008 0.000 0.248 343 I C 1.550 177.707 176.117 0.067 0.000 1.111 343 I CA 1.643 62.983 61.300 0.066 0.000 1.382 343 I CB -0.547 37.489 38.000 0.060 0.000 1.060 343 I HN 0.288 nan 8.210 nan 0.000 0.418 344 D N 0.936 121.380 120.400 0.074 0.000 2.218 344 D HA -0.121 4.524 4.640 0.008 0.000 0.204 344 D C 2.216 178.565 176.300 0.081 0.000 0.976 344 D CA 1.334 55.384 54.000 0.083 0.000 0.853 344 D CB -0.043 40.821 40.800 0.106 0.000 0.939 344 D HN 0.376 nan 8.370 nan 0.000 0.481 345 A N 0.044 122.924 122.820 0.099 0.000 1.929 345 A HA -0.141 4.184 4.320 0.008 0.000 0.216 345 A C 2.462 180.172 177.584 0.211 0.000 1.176 345 A CA 0.947 53.038 52.037 0.090 0.000 0.628 345 A CB -0.721 18.285 19.000 0.009 0.000 0.816 345 A HN 0.338 nan 8.150 nan 0.000 0.444 346 C N -0.554 118.874 119.300 0.213 0.000 2.440 346 C HA -0.025 4.440 4.460 0.008 0.000 0.278 346 C C 2.523 177.563 174.990 0.083 0.000 1.295 346 C CA 0.748 59.902 59.018 0.227 0.000 1.738 346 C CB -1.331 26.496 27.740 0.145 0.000 1.987 346 C HN 0.622 nan 8.230 nan 0.000 0.492 347 I N 1.737 122.335 120.570 0.046 0.000 2.163 347 I HA -0.239 3.936 4.170 0.008 0.000 0.243 347 I C 2.798 178.908 176.117 -0.012 0.000 1.085 347 I CA 1.750 63.057 61.300 0.012 0.000 1.347 347 I CB -0.616 37.397 38.000 0.020 0.000 1.044 347 I HN 0.284 nan 8.210 nan 0.000 0.408 348 A N 0.657 123.442 122.820 -0.059 0.000 1.902 348 A HA -0.215 4.109 4.320 0.008 0.000 0.217 348 A C 2.254 179.857 177.584 0.031 0.000 1.181 348 A CA 1.536 53.500 52.037 -0.122 0.000 0.623 348 A CB -0.781 17.808 19.000 -0.685 0.000 0.818 348 A HN 0.389 nan 8.150 nan 0.000 0.443 349 L N 0.171 121.434 121.223 0.066 0.000 2.017 349 L HA -0.145 4.200 4.340 0.008 0.000 0.208 349 L C 2.464 179.217 176.870 -0.195 0.000 1.073 349 L CA 2.520 57.255 54.840 -0.175 0.000 0.745 349 L CB -0.698 41.227 42.059 -0.223 0.000 0.894 349 L HN 0.515 nan 8.230 nan 0.000 0.432 350 R N -0.643 119.780 120.500 -0.129 0.000 2.096 350 R HA -0.198 4.147 4.340 0.008 0.000 0.240 350 R C 2.024 178.277 176.300 -0.077 0.000 1.139 350 R CA 1.863 57.883 56.100 -0.132 0.000 0.952 350 R CB -0.277 29.970 30.300 -0.090 0.000 0.854 350 R HN 0.419 nan 8.270 nan 0.000 0.436 351 E N 0.742 120.921 120.200 -0.034 0.000 2.106 351 E HA -0.185 4.170 4.350 0.008 0.000 0.192 351 E C 1.995 178.614 176.600 0.030 0.000 0.984 351 E CA 0.847 57.251 56.400 0.005 0.000 0.806 351 E CB -0.334 29.381 29.700 0.025 0.000 0.750 351 E HN 0.330 nan 8.360 nan 0.000 0.458 352 L N 0.400 121.629 121.223 0.009 0.000 2.017 352 L HA -0.131 4.213 4.340 0.008 0.000 0.208 352 L C 2.322 179.278 176.870 0.144 0.000 1.073 352 L CA 1.601 56.460 54.840 0.031 0.000 0.745 352 L CB -0.355 41.586 42.059 -0.196 0.000 0.894 352 L HN 0.049 nan 8.230 nan 0.000 0.432 353 M N -0.991 118.658 119.600 0.082 0.000 2.117 353 M HA -0.228 4.257 4.480 0.008 0.000 0.262 353 M C 2.219 178.652 176.300 0.221 0.000 1.065 353 M CA 1.939 57.316 55.300 0.127 0.000 1.114 353 M CB -0.394 31.980 32.600 -0.376 0.000 1.361 353 M HN 0.289 nan 8.290 nan 0.000 0.408 354 I N -0.387 120.235 120.570 0.087 0.000 2.202 354 I HA -0.301 3.874 4.170 0.008 0.000 0.242 354 I C 2.670 178.813 176.117 0.044 0.000 1.091 354 I CA 1.377 62.709 61.300 0.052 0.000 1.368 354 I CB -0.542 37.465 38.000 0.010 0.000 1.058 354 I HN 0.432 nan 8.210 nan 0.000 0.410 355 Q N 0.826 120.674 119.800 0.081 0.000 2.084 355 Q HA -0.271 4.074 4.340 0.008 0.000 0.202 355 Q C 2.305 178.360 176.000 0.092 0.000 0.978 355 Q CA 1.943 57.790 55.803 0.072 0.000 0.844 355 Q CB -0.203 28.591 28.738 0.094 0.000 0.898 355 Q HN 0.452 nan 8.270 nan 0.000 0.426 356 F N 1.365 121.364 119.950 0.082 0.000 2.134 356 F HA -0.166 4.365 4.527 0.006 0.000 0.299 356 F C 2.352 178.128 175.800 -0.039 0.000 1.097 356 F CA 1.902 59.983 58.000 0.135 0.000 1.264 356 F CB -0.088 39.146 39.000 0.390 0.000 1.001 356 F HN -0.007 nan 8.300 nan 0.000 0.479 357 K N 0.418 120.727 120.400 -0.153 0.000 2.057 357 K HA -0.207 4.118 4.320 0.008 0.000 0.207 357 K C 1.905 178.189 176.600 -0.526 0.000 1.049 357 K CA 1.938 57.696 56.287 -0.882 0.000 0.931 357 K CB -0.281 31.634 32.500 -0.976 0.000 0.714 357 K HN 0.356 nan 8.250 nan 0.000 0.440 358 E N 0.084 120.118 120.200 -0.277 0.000 2.204 358 E HA -0.123 4.232 4.350 0.008 0.000 0.195 358 E C 1.114 177.609 176.600 -0.175 0.000 0.990 358 E CA 0.810 57.097 56.400 -0.188 0.000 0.821 358 E CB 0.073 29.710 29.700 -0.105 0.000 0.750 358 E HN 0.334 nan 8.360 nan 0.000 0.477 359 N N -0.011 118.567 118.700 -0.204 0.000 2.280 359 N HA 0.111 4.856 4.740 0.008 0.000 0.192 359 N C -0.058 175.312 175.510 -0.233 0.000 1.109 359 N CA 0.142 53.083 53.050 -0.182 0.000 0.855 359 N CB 0.496 38.895 38.487 -0.147 0.000 0.974 359 N HN 0.043 nan 8.380 nan 0.000 0.482 360 A N 0.000 122.646 122.820 -0.290 0.000 2.254 360 A HA 0.000 4.325 4.320 0.008 0.000 0.244 360 A CA 0.000 51.911 52.037 -0.210 0.000 0.836 360 A CB 0.000 18.954 19.000 -0.076 0.000 0.831 360 A HN 0.000 nan 8.150 nan 0.000 0.486