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 1ke0_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.493 177.584 -0.152 0.000 1.274 4 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 4 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 5 P HA 0.045 nan 4.420 nan 0.000 0.266 5 P C 0.898 178.102 177.300 -0.161 0.000 1.193 5 P CA -0.098 62.878 63.100 -0.206 0.000 0.770 5 P CB 0.659 32.186 31.700 -0.289 0.000 0.836 6 Q N 2.632 122.373 119.800 -0.098 0.000 2.135 6 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 6 Q C 2.162 178.116 176.000 -0.077 0.000 0.981 6 Q CA 2.617 58.382 55.803 -0.063 0.000 0.856 6 Q CB -0.485 28.229 28.738 -0.040 0.000 0.902 6 Q HN 0.609 nan 8.270 nan 0.000 0.425 7 Q N 0.623 120.349 119.800 -0.123 0.000 2.124 7 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 7 Q C 2.072 177.971 176.000 -0.169 0.000 0.977 7 Q CA 1.680 57.400 55.803 -0.138 0.000 0.850 7 Q CB -0.652 27.982 28.738 -0.173 0.000 0.901 7 Q HN 0.615 nan 8.270 nan 0.000 0.429 8 I N 0.240 120.670 120.570 -0.235 0.000 2.193 8 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 8 I C 2.312 178.391 176.117 -0.063 0.000 1.084 8 I CA 1.408 62.581 61.300 -0.211 0.000 1.365 8 I CB -0.437 37.375 38.000 -0.314 0.000 1.064 8 I HN 0.470 nan 8.210 nan 0.000 0.410 9 N N 0.709 119.426 118.700 0.028 0.000 2.094 9 N HA -0.278 4.462 4.740 -0.000 0.000 0.191 9 N C 1.504 177.069 175.510 0.092 0.000 1.023 9 N CA 1.805 54.940 53.050 0.142 0.000 0.857 9 N CB -0.088 38.450 38.487 0.085 0.000 1.013 9 N HN 0.329 nan 8.380 nan 0.000 0.426 10 D N 0.599 121.021 120.400 0.036 0.000 2.078 10 D HA -0.116 4.524 4.640 -0.000 0.000 0.193 10 D C 1.755 178.084 176.300 0.048 0.000 0.990 10 D CA 0.739 54.773 54.000 0.055 0.000 0.827 10 D CB -0.087 40.721 40.800 0.014 0.000 0.975 10 D HN 0.133 nan 8.370 nan 0.000 0.451 11 I N -0.278 120.284 120.570 -0.014 0.000 2.546 11 I HA -0.115 4.055 4.170 -0.000 0.000 0.255 11 I C 1.942 178.039 176.117 -0.033 0.000 1.163 11 I CA 0.687 61.970 61.300 -0.029 0.000 1.457 11 I CB 0.033 37.997 38.000 -0.059 0.000 1.092 11 I HN -0.028 nan 8.210 nan 0.000 0.434 12 V N 0.021 119.893 119.914 -0.070 0.000 2.283 12 V HA -0.285 3.835 4.120 -0.000 0.000 0.243 12 V C 2.494 178.643 176.094 0.092 0.000 1.039 12 V CA 2.133 64.367 62.300 -0.110 0.000 1.016 12 V CB -1.001 30.524 31.823 -0.496 0.000 0.650 12 V HN 0.516 nan 8.190 nan 0.000 0.449 13 H N 1.106 120.221 119.070 0.075 0.000 2.319 13 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 13 H C 2.416 177.797 175.328 0.089 0.000 1.092 13 H CA 2.127 58.280 56.048 0.176 0.000 1.302 13 H CB -0.122 29.732 29.762 0.154 0.000 1.373 13 H HN 0.295 nan 8.280 nan 0.000 0.497 14 R N -1.116 119.370 120.500 -0.023 0.000 2.148 14 R HA -0.038 4.302 4.340 -0.000 0.000 0.227 14 R C 1.949 178.196 176.300 -0.089 0.000 1.103 14 R CA 1.625 57.664 56.100 -0.102 0.000 0.983 14 R CB 0.100 30.379 30.300 -0.036 0.000 0.874 14 R HN 0.362 nan 8.270 nan 0.000 0.451 15 T N 0.506 115.025 114.554 -0.058 0.000 2.988 15 T HA 0.097 4.447 4.350 -0.000 0.000 0.240 15 T C 1.780 176.413 174.700 -0.111 0.000 1.014 15 T CA 0.346 62.412 62.100 -0.057 0.000 1.155 15 T CB 0.135 68.993 68.868 -0.018 0.000 0.872 15 T HN -0.048 nan 8.240 nan 0.000 0.440 16 I N 2.346 122.823 120.570 -0.155 0.000 2.193 16 I HA -0.087 4.083 4.170 -0.000 0.000 0.240 16 I C 2.679 178.498 176.117 -0.497 0.000 1.084 16 I CA 1.455 62.542 61.300 -0.354 0.000 1.365 16 I CB -1.978 35.680 38.000 -0.571 0.000 1.064 16 I HN 0.244 nan 8.210 nan 0.000 0.410 17 T N 2.024 116.328 114.554 -0.417 0.000 2.699 17 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 17 T C -0.343 174.200 174.700 -0.263 0.000 1.036 17 T CA 1.778 63.672 62.100 -0.343 0.000 1.147 17 T CB -1.400 67.438 68.868 -0.050 0.000 0.862 17 T HN 0.251 nan 8.240 nan 0.000 0.446 18 P HA 0.082 nan 4.420 nan 0.000 0.220 18 P C 1.609 178.811 177.300 -0.163 0.000 1.152 18 P CA 0.307 63.312 63.100 -0.158 0.000 0.812 18 P CB -0.119 31.507 31.700 -0.124 0.000 0.792 19 L N -0.578 120.528 121.223 -0.194 0.000 2.046 19 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 19 L C 2.084 178.792 176.870 -0.271 0.000 1.077 19 L CA 1.786 56.509 54.840 -0.196 0.000 0.747 19 L CB -1.095 40.849 42.059 -0.192 0.000 0.896 19 L HN -0.132 nan 8.230 nan 0.000 0.432 20 I N -0.439 119.929 120.570 -0.337 0.000 2.163 20 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 20 I C 2.370 178.356 176.117 -0.218 0.000 1.085 20 I CA 1.194 62.295 61.300 -0.331 0.000 1.347 20 I CB -0.447 37.311 38.000 -0.403 0.000 1.044 20 I HN 0.324 nan 8.210 nan 0.000 0.408 21 E N 0.660 120.755 120.200 -0.175 0.000 2.150 21 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 21 E C 2.123 178.664 176.600 -0.097 0.000 0.985 21 E CA 1.174 57.506 56.400 -0.114 0.000 0.814 21 E CB -0.282 29.364 29.700 -0.090 0.000 0.752 21 E HN 0.647 nan 8.360 nan 0.000 0.466 22 Q N 0.143 119.879 119.800 -0.106 0.000 2.187 22 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 22 Q C 1.842 177.799 176.000 -0.071 0.000 0.957 22 Q CA 0.765 56.523 55.803 -0.075 0.000 0.857 22 Q CB 0.137 28.837 28.738 -0.063 0.000 0.929 22 Q HN 0.124 nan 8.270 nan 0.000 0.453 23 Q N -0.068 119.662 119.800 -0.117 0.000 2.356 23 Q HA 0.076 4.416 4.340 -0.000 0.000 0.205 23 Q C 0.169 176.114 176.000 -0.092 0.000 0.901 23 Q CA 0.949 56.687 55.803 -0.107 0.000 0.938 23 Q CB 0.557 29.150 28.738 -0.242 0.000 1.081 23 Q HN 0.377 nan 8.270 nan 0.000 0.517 24 K N 0.958 121.298 120.400 -0.100 0.000 3.372 24 K HA -0.173 4.147 4.320 -0.000 0.000 0.272 24 K C -0.162 176.391 176.600 -0.079 0.000 1.037 24 K CA 0.833 57.074 56.287 -0.076 0.000 0.777 24 K CB -2.902 29.572 32.500 -0.044 0.000 1.347 24 K HN 0.362 nan 8.250 nan 0.000 0.460 25 I N 0.391 120.890 120.570 -0.119 0.000 2.325 25 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 25 I C -1.040 175.055 176.117 -0.037 0.000 1.019 25 I CA -2.481 58.765 61.300 -0.089 0.000 1.302 25 I CB 1.870 39.760 38.000 -0.183 0.000 1.401 25 I HN 0.193 nan 8.210 nan 0.000 0.485 26 P HA -0.011 nan 4.420 nan 0.000 0.216 26 P C 0.430 177.791 177.300 0.102 0.000 1.153 26 P CA 0.512 63.614 63.100 0.003 0.000 0.844 26 P CB 0.310 31.959 31.700 -0.084 0.000 0.787 27 G N -1.418 107.504 108.800 0.203 0.000 2.659 27 G HA2 0.717 4.677 3.960 -0.000 0.000 0.296 27 G HA3 0.717 4.677 3.960 -0.000 0.000 0.296 27 G C -1.847 173.301 174.900 0.412 0.000 1.369 27 G CA -0.398 44.892 45.100 0.316 0.000 0.937 27 G HN 0.052 nan 8.290 nan 0.000 0.485 28 M N 0.725 120.619 119.600 0.490 0.000 2.426 28 M HA 0.658 5.138 4.480 -0.000 0.000 0.289 28 M C -1.725 174.913 176.300 0.563 0.000 1.168 28 M CA -0.511 55.062 55.300 0.455 0.000 0.933 28 M CB 2.139 34.879 32.600 0.232 0.000 1.750 28 M HN 1.114 nan 8.290 nan 0.000 0.494 29 A N 3.344 126.362 122.820 0.331 0.000 2.393 29 A HA 0.882 5.202 4.320 -0.000 0.000 0.306 29 A C -1.784 176.006 177.584 0.344 0.000 1.050 29 A CA -0.607 51.643 52.037 0.354 0.000 0.724 29 A CB 1.811 20.938 19.000 0.211 0.000 1.248 29 A HN 0.631 nan 8.150 nan 0.000 0.424 30 V N 0.665 120.902 119.914 0.540 0.000 2.876 30 V HA 0.858 4.977 4.120 -0.000 0.000 0.312 30 V C 0.070 176.517 176.094 0.589 0.000 1.085 30 V CA -0.217 62.392 62.300 0.515 0.000 0.945 30 V CB 1.935 34.104 31.823 0.577 0.000 1.017 30 V HN 1.503 nan 8.190 nan 0.000 0.428 31 A N 3.264 126.356 122.820 0.453 0.000 2.374 31 A HA 0.882 5.202 4.320 -0.000 0.000 0.305 31 A C -1.298 176.470 177.584 0.308 0.000 1.053 31 A CA -0.549 51.730 52.037 0.403 0.000 0.726 31 A CB 1.911 21.125 19.000 0.357 0.000 1.229 31 A HN 0.683 nan 8.150 nan 0.000 0.431 32 V N 3.531 123.645 119.914 0.334 0.000 2.378 32 V HA 0.335 4.455 4.120 -0.000 0.000 0.288 32 V C -0.837 175.401 176.094 0.240 0.000 1.016 32 V CA -0.295 62.167 62.300 0.271 0.000 0.840 32 V CB 1.249 33.253 31.823 0.302 0.000 0.994 32 V HN 0.728 nan 8.190 nan 0.000 0.431 33 I N 5.884 126.543 120.570 0.148 0.000 2.312 33 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 33 I C -0.598 175.638 176.117 0.198 0.000 1.031 33 I CA -0.175 61.187 61.300 0.104 0.000 1.293 33 I CB 0.514 38.508 38.000 -0.010 0.000 1.403 33 I HN 0.577 nan 8.210 nan 0.000 0.484 34 Y N 5.683 126.064 120.300 0.135 0.000 2.326 34 Y HA 0.365 4.915 4.550 -0.000 0.000 0.329 34 Y C 0.281 176.231 175.900 0.083 0.000 0.973 34 Y CA -0.945 57.218 58.100 0.106 0.000 1.162 34 Y CB 0.876 39.414 38.460 0.129 0.000 1.147 34 Y HN 0.685 nan 8.280 nan 0.000 0.456 35 Q N 4.639 124.172 119.800 -0.444 0.000 2.468 35 Q HA -0.252 4.088 4.340 -0.000 0.000 0.289 35 Q C 1.099 177.000 176.000 -0.164 0.000 1.299 35 Q CA 1.191 56.775 55.803 -0.366 0.000 0.838 35 Q CB -1.373 27.095 28.738 -0.450 0.000 1.195 35 Q HN 1.375 nan 8.270 nan 0.000 0.456 36 G N -2.688 106.036 108.800 -0.126 0.000 2.347 36 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.247 36 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.247 36 G C 0.249 175.102 174.900 -0.079 0.000 1.037 36 G CA 0.820 45.858 45.100 -0.102 0.000 0.622 36 G HN 0.822 nan 8.290 nan 0.000 0.521 37 K N 1.451 121.823 120.400 -0.046 0.000 2.118 37 K HA 0.791 5.111 4.320 -0.000 0.000 0.267 37 K C -2.601 173.862 176.600 -0.228 0.000 0.991 37 K CA -1.108 55.104 56.287 -0.125 0.000 0.916 37 K CB 0.676 33.106 32.500 -0.116 0.000 1.041 37 K HN 0.316 nan 8.250 nan 0.000 0.455 38 P HA 0.447 nan 4.420 nan 0.000 0.294 38 P C -1.456 175.164 177.300 -1.133 0.000 1.294 38 P CA -0.427 62.316 63.100 -0.596 0.000 0.827 38 P CB 0.473 31.880 31.700 -0.488 0.000 0.992 39 Y N 1.388 121.382 120.300 -0.509 0.000 2.373 39 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 39 Y C -0.222 175.282 175.900 -0.659 0.000 0.979 39 Y CA -0.398 57.403 58.100 -0.498 0.000 1.080 39 Y CB 1.559 39.956 38.460 -0.105 0.000 1.190 39 Y HN 0.310 nan 8.280 nan 0.000 0.446 40 Y N 2.753 122.835 120.300 -0.363 0.000 2.387 40 Y HA 0.681 5.231 4.550 -0.000 0.000 0.336 40 Y C -0.921 174.489 175.900 -0.816 0.000 1.067 40 Y CA -1.212 56.688 58.100 -0.333 0.000 1.114 40 Y CB 1.376 39.750 38.460 -0.143 0.000 1.208 40 Y HN 0.379 nan 8.280 nan 0.000 0.458 41 F N 0.369 120.400 119.950 0.135 0.000 2.547 41 F HA 0.566 5.093 4.527 -0.000 0.000 0.316 41 F C -0.136 175.495 175.800 -0.282 0.000 1.121 41 F CA -0.779 57.093 58.000 -0.214 0.000 0.911 41 F CB 2.335 41.217 39.000 -0.198 0.000 1.179 41 F HN 0.277 nan 8.300 nan 0.000 0.443 42 T N 2.960 117.263 114.554 -0.419 0.000 2.876 42 T HA 0.530 4.880 4.350 -0.000 0.000 0.289 42 T C -1.479 173.058 174.700 -0.270 0.000 1.014 42 T CA -0.596 61.424 62.100 -0.133 0.000 0.986 42 T CB 1.278 70.142 68.868 -0.007 0.000 1.021 42 T HN 0.485 nan 8.240 nan 0.000 0.458 43 W N 0.980 122.377 121.300 0.162 0.000 3.118 43 W HA 0.476 5.136 4.660 -0.000 0.000 0.328 43 W C 0.739 177.298 176.519 0.066 0.000 1.239 43 W CA -0.612 56.792 57.345 0.098 0.000 1.176 43 W CB 1.228 30.743 29.460 0.093 0.000 1.433 43 W HN 1.111 nan 8.180 nan 0.000 0.562 44 G N 1.047 109.955 108.800 0.181 0.000 2.598 44 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.269 44 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.269 44 G C -1.342 173.542 174.900 -0.026 0.000 1.289 44 G CA -0.042 45.026 45.100 -0.053 0.000 0.926 44 G HN 0.551 nan 8.290 nan 0.000 0.567 45 Y N 0.078 120.464 120.300 0.143 0.000 2.377 45 Y HA 0.538 5.088 4.550 -0.000 0.000 0.339 45 Y C 1.392 177.394 175.900 0.170 0.000 1.011 45 Y CA -0.496 57.682 58.100 0.130 0.000 1.093 45 Y CB 1.918 40.424 38.460 0.077 0.000 1.201 45 Y HN 0.756 nan 8.280 nan 0.000 0.455 46 A N 1.063 124.084 122.820 0.335 0.000 1.898 46 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 46 A C 0.355 178.128 177.584 0.314 0.000 1.183 46 A CA 1.307 53.479 52.037 0.225 0.000 0.622 46 A CB 0.024 19.095 19.000 0.120 0.000 0.824 46 A HN 0.687 nan 8.150 nan 0.000 0.444 47 D N -0.912 119.659 120.400 0.286 0.000 2.505 47 D HA 0.442 5.082 4.640 -0.000 0.000 0.250 47 D C 0.792 177.146 176.300 0.089 0.000 1.164 47 D CA -0.418 53.757 54.000 0.292 0.000 0.870 47 D CB 0.917 41.865 40.800 0.246 0.000 1.160 47 D HN 0.184 nan 8.370 nan 0.000 0.549 48 I N 2.339 122.977 120.570 0.113 0.000 2.113 48 I HA -0.255 3.915 4.170 -0.000 0.000 0.238 48 I C 2.476 178.478 176.117 -0.193 0.000 1.070 48 I CA 1.220 62.463 61.300 -0.096 0.000 1.332 48 I CB -0.223 37.666 38.000 -0.186 0.000 1.044 48 I HN 0.430 nan 8.210 nan 0.000 0.402 49 A N 1.084 123.837 122.820 -0.112 0.000 1.892 49 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 49 A C 2.486 179.985 177.584 -0.141 0.000 1.188 49 A CA 2.836 54.800 52.037 -0.122 0.000 0.631 49 A CB -1.052 17.881 19.000 -0.111 0.000 0.822 49 A HN 0.424 nan 8.150 nan 0.000 0.447 50 K N -0.235 120.095 120.400 -0.116 0.000 2.525 50 K HA 0.133 4.453 4.320 -0.000 0.000 0.192 50 K C 0.854 177.337 176.600 -0.195 0.000 1.029 50 K CA 0.991 57.217 56.287 -0.103 0.000 1.029 50 K CB -0.906 31.581 32.500 -0.023 0.000 0.814 50 K HN 0.617 nan 8.250 nan 0.000 0.503 51 K N 0.989 121.149 120.400 -0.400 0.000 3.003 51 K HA -0.169 4.151 4.320 -0.000 0.000 0.257 51 K C -0.540 175.793 176.600 -0.446 0.000 0.958 51 K CA 0.610 56.381 56.287 -0.861 0.000 0.707 51 K CB -1.133 30.986 32.500 -0.634 0.000 1.279 51 K HN 0.515 nan 8.250 nan 0.000 0.479 52 Q N 0.734 120.433 119.800 -0.169 0.000 2.307 52 Q HA 0.155 4.495 4.340 -0.000 0.000 0.259 52 Q C -2.086 174.031 176.000 0.195 0.000 0.998 52 Q CA -1.802 54.020 55.803 0.032 0.000 0.923 52 Q CB 0.974 29.748 28.738 0.059 0.000 1.196 52 Q HN 0.182 nan 8.270 nan 0.000 0.416 53 P HA -0.004 nan 4.420 nan 0.000 0.269 53 P C -0.215 177.220 177.300 0.225 0.000 1.215 53 P CA -0.155 63.136 63.100 0.318 0.000 0.780 53 P CB 0.833 32.666 31.700 0.222 0.000 0.898 54 V N 2.737 122.796 119.914 0.241 0.000 2.555 54 V HA 0.254 4.374 4.120 -0.000 0.000 0.286 54 V C 1.295 177.503 176.094 0.189 0.000 1.044 54 V CA 0.561 63.006 62.300 0.242 0.000 1.026 54 V CB 0.523 32.571 31.823 0.375 0.000 0.981 54 V HN 0.887 nan 8.190 nan 0.000 0.480 55 T N 1.614 116.261 114.554 0.155 0.000 2.724 55 T HA 0.324 4.673 4.350 -0.000 0.000 0.274 55 T C 0.598 175.344 174.700 0.078 0.000 0.984 55 T CA -0.727 61.425 62.100 0.086 0.000 1.024 55 T CB 1.574 70.463 68.868 0.034 0.000 1.320 55 T HN 0.362 nan 8.240 nan 0.000 0.555 56 Q N -0.033 119.752 119.800 -0.024 0.000 2.167 56 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 56 Q C 1.674 177.619 176.000 -0.091 0.000 0.970 56 Q CA 1.499 57.231 55.803 -0.117 0.000 0.855 56 Q CB -0.376 28.220 28.738 -0.237 0.000 0.911 56 Q HN 0.680 nan 8.270 nan 0.000 0.438 57 Q N 0.040 119.782 119.800 -0.096 0.000 2.320 57 Q HA 0.108 4.448 4.340 -0.000 0.000 0.201 57 Q C -0.203 175.761 176.000 -0.060 0.000 0.910 57 Q CA 0.136 55.840 55.803 -0.164 0.000 0.946 57 Q CB 0.585 29.167 28.738 -0.260 0.000 1.062 57 Q HN 0.076 nan 8.270 nan 0.000 0.503 58 T N 1.135 115.719 114.554 0.050 0.000 2.834 58 T HA 0.245 4.595 4.350 -0.000 0.000 0.298 58 T C -0.257 174.500 174.700 0.095 0.000 0.966 58 T CA -0.241 61.886 62.100 0.045 0.000 1.141 58 T CB 0.327 69.225 68.868 0.049 0.000 0.905 58 T HN 0.026 nan 8.240 nan 0.000 0.535 59 L N 4.204 125.432 121.223 0.009 0.000 2.312 59 L HA 0.547 4.887 4.340 -0.000 0.000 0.281 59 L C -0.417 176.467 176.870 0.023 0.000 1.070 59 L CA 0.017 54.898 54.840 0.067 0.000 0.805 59 L CB 0.386 42.415 42.059 -0.050 0.000 1.174 59 L HN 0.527 nan 8.230 nan 0.000 0.434 60 F N 0.198 120.181 119.950 0.054 0.000 2.561 60 F HA 0.430 4.957 4.527 -0.000 0.000 0.321 60 F C 0.369 175.964 175.800 -0.341 0.000 1.065 60 F CA -0.940 57.052 58.000 -0.013 0.000 0.934 60 F CB 1.384 40.508 39.000 0.208 0.000 1.215 60 F HN 0.383 nan 8.300 nan 0.000 0.471 61 E N 2.392 122.117 120.200 -0.791 0.000 2.290 61 E HA 0.193 4.543 4.350 -0.000 0.000 0.277 61 E C 0.457 176.967 176.600 -0.149 0.000 1.035 61 E CA -0.053 56.025 56.400 -0.537 0.000 0.873 61 E CB 0.831 30.077 29.700 -0.757 0.000 1.029 61 E HN 0.602 nan 8.360 nan 0.000 0.419 62 L N 2.931 124.149 121.223 -0.009 0.000 2.492 62 L HA 0.085 4.425 4.340 -0.000 0.000 0.223 62 L C 1.390 178.358 176.870 0.165 0.000 1.132 62 L CA 0.373 55.280 54.840 0.112 0.000 0.850 62 L CB -0.893 41.237 42.059 0.119 0.000 0.966 62 L HN 0.875 nan 8.230 nan 0.000 0.454 63 G N 0.518 109.417 108.800 0.165 0.000 2.582 63 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.288 63 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.288 63 G C 0.807 175.864 174.900 0.262 0.000 1.247 63 G CA 0.323 45.561 45.100 0.231 0.000 0.972 63 G HN 0.199 nan 8.290 nan 0.000 0.557 64 S N -0.337 115.519 115.700 0.260 0.000 2.500 64 S HA 0.003 4.473 4.470 -0.000 0.000 0.239 64 S C 2.361 177.102 174.600 0.236 0.000 0.989 64 S CA 1.276 59.644 58.200 0.280 0.000 0.951 64 S CB -0.137 63.267 63.200 0.341 0.000 0.759 64 S HN 0.765 nan 8.310 nan 0.000 0.523 65 V N 1.582 121.623 119.914 0.211 0.000 2.867 65 V HA -0.128 3.992 4.120 -0.000 0.000 0.260 65 V C 2.090 178.309 176.094 0.208 0.000 1.099 65 V CA 1.355 63.758 62.300 0.172 0.000 1.122 65 V CB -0.775 31.174 31.823 0.209 0.000 0.708 65 V HN 0.451 nan 8.190 nan 0.000 0.490 66 S N -0.315 115.535 115.700 0.251 0.000 2.442 66 S HA -0.191 4.279 4.470 -0.000 0.000 0.236 66 S C 1.902 176.681 174.600 0.299 0.000 1.007 66 S CA 1.100 59.484 58.200 0.308 0.000 0.965 66 S CB -0.233 63.073 63.200 0.176 0.000 0.773 66 S HN 0.642 nan 8.310 nan 0.000 0.504 67 K N 0.948 121.472 120.400 0.206 0.000 2.280 67 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 67 K C 2.377 179.024 176.600 0.080 0.000 1.047 67 K CA 1.540 57.929 56.287 0.170 0.000 0.942 67 K CB -0.400 32.219 32.500 0.198 0.000 0.739 67 K HN 0.593 nan 8.250 nan 0.000 0.457 68 T N -1.477 113.031 114.554 -0.076 0.000 2.951 68 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 68 T C 1.693 176.426 174.700 0.055 0.000 1.073 68 T CA 0.716 62.601 62.100 -0.359 0.000 1.134 68 T CB -0.282 67.950 68.868 -1.060 0.000 0.884 68 T HN 0.024 nan 8.240 nan 0.000 0.479 69 F N 2.040 122.076 119.950 0.142 0.000 2.206 69 F HA 0.100 4.627 4.527 -0.000 0.000 0.298 69 F C 2.953 178.824 175.800 0.118 0.000 1.090 69 F CA 1.162 59.203 58.000 0.069 0.000 1.323 69 F CB -0.894 38.006 39.000 -0.166 0.000 1.028 69 F HN 0.133 nan 8.300 nan 0.000 0.492 70 T N -0.636 114.124 114.554 0.342 0.000 2.821 70 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 70 T C 2.363 177.261 174.700 0.331 0.000 1.046 70 T CA 1.322 63.631 62.100 0.349 0.000 1.139 70 T CB -0.922 68.159 68.868 0.355 0.000 0.871 70 T HN 0.426 nan 8.240 nan 0.000 0.454 71 G N 1.068 110.028 108.800 0.266 0.000 2.421 71 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 71 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 71 G C 1.682 176.744 174.900 0.271 0.000 1.171 71 G CA 0.773 46.021 45.100 0.247 0.000 0.775 71 G HN 0.429 nan 8.290 nan 0.000 0.543 72 V N 0.633 120.717 119.914 0.283 0.000 2.427 72 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 72 V C 2.663 178.877 176.094 0.200 0.000 1.051 72 V CA 1.496 63.963 62.300 0.278 0.000 1.048 72 V CB -0.302 31.770 31.823 0.415 0.000 0.666 72 V HN 0.338 nan 8.190 nan 0.000 0.456 73 L N 1.312 122.634 121.223 0.164 0.000 2.056 73 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 73 L C 2.330 179.221 176.870 0.035 0.000 1.078 73 L CA 2.421 57.281 54.840 0.034 0.000 0.749 73 L CB -1.296 40.710 42.059 -0.088 0.000 0.901 73 L HN 0.252 nan 8.230 nan 0.000 0.433 74 G N -1.062 107.816 108.800 0.129 0.000 2.421 74 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 74 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 74 G C 1.541 176.551 174.900 0.182 0.000 1.171 74 G CA 0.565 45.752 45.100 0.146 0.000 0.775 74 G HN 0.590 nan 8.290 nan 0.000 0.543 75 G N 0.738 109.663 108.800 0.209 0.000 2.476 75 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 75 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 75 G C 1.466 176.425 174.900 0.098 0.000 1.164 75 G CA 1.481 46.676 45.100 0.159 0.000 0.768 75 G HN 0.518 nan 8.290 nan 0.000 0.560 76 D N 0.367 120.812 120.400 0.075 0.000 2.144 76 D HA 0.056 4.696 4.640 -0.000 0.000 0.199 76 D C 2.612 178.914 176.300 0.003 0.000 0.984 76 D CA 1.395 55.415 54.000 0.033 0.000 0.834 76 D CB -0.248 40.560 40.800 0.014 0.000 0.955 76 D HN 0.272 nan 8.370 nan 0.000 0.465 77 A N -0.365 122.446 122.820 -0.016 0.000 2.014 77 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 77 A C 2.167 179.737 177.584 -0.024 0.000 1.163 77 A CA 0.648 52.654 52.037 -0.051 0.000 0.652 77 A CB -0.531 18.398 19.000 -0.119 0.000 0.808 77 A HN 0.339 nan 8.150 nan 0.000 0.449 78 I N -0.079 120.502 120.570 0.018 0.000 2.202 78 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 78 I C 2.901 179.037 176.117 0.033 0.000 1.091 78 I CA 1.108 62.431 61.300 0.039 0.000 1.368 78 I CB -0.305 37.744 38.000 0.081 0.000 1.058 78 I HN 0.290 nan 8.210 nan 0.000 0.410 79 A N 0.663 123.503 122.820 0.033 0.000 1.978 79 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 79 A C 2.323 179.914 177.584 0.012 0.000 1.170 79 A CA 1.586 53.638 52.037 0.025 0.000 0.636 79 A CB -0.622 18.393 19.000 0.025 0.000 0.810 79 A HN 0.364 nan 8.150 nan 0.000 0.448 80 R N -1.630 118.871 120.500 0.002 0.000 2.299 80 R HA 0.169 4.509 4.340 -0.000 0.000 0.197 80 R C 1.339 177.639 176.300 -0.001 0.000 0.971 80 R CA 0.535 56.631 56.100 -0.006 0.000 1.030 80 R CB -0.144 30.143 30.300 -0.022 0.000 0.932 80 R HN 0.702 nan 8.270 nan 0.000 0.477 81 G N 1.067 109.872 108.800 0.008 0.000 2.148 81 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.254 81 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.254 81 G C 0.539 175.450 174.900 0.019 0.000 0.981 81 G CA 0.557 45.668 45.100 0.018 0.000 0.670 81 G HN 0.448 nan 8.290 nan 0.000 0.528 82 E N -0.569 119.629 120.200 -0.004 0.000 2.170 82 E HA 0.273 4.623 4.350 -0.000 0.000 0.191 82 E C 1.447 178.034 176.600 -0.022 0.000 0.981 82 E CA 1.149 57.539 56.400 -0.018 0.000 0.830 82 E CB 0.182 29.843 29.700 -0.064 0.000 0.775 82 E HN 0.913 nan 8.360 nan 0.000 0.470 83 I N -2.613 117.935 120.570 -0.038 0.000 3.102 83 I HA 0.473 4.643 4.170 -0.000 0.000 0.310 83 I C -1.565 174.591 176.117 0.064 0.000 1.246 83 I CA -1.332 59.945 61.300 -0.038 0.000 0.979 83 I CB 2.272 40.083 38.000 -0.314 0.000 1.267 83 I HN -0.340 nan 8.210 nan 0.000 0.451 84 K N 2.873 123.360 120.400 0.146 0.000 2.371 84 K HA 0.534 4.854 4.320 -0.000 0.000 0.251 84 K C -0.118 176.575 176.600 0.155 0.000 0.934 84 K CA -0.767 55.600 56.287 0.134 0.000 0.798 84 K CB 2.913 35.492 32.500 0.132 0.000 1.204 84 K HN 0.590 nan 8.250 nan 0.000 0.427 85 L N 1.060 122.354 121.223 0.117 0.000 2.478 85 L HA -0.109 4.231 4.340 -0.000 0.000 0.223 85 L C 1.899 178.810 176.870 0.068 0.000 1.140 85 L CA 0.943 55.837 54.840 0.090 0.000 0.842 85 L CB -0.168 41.892 42.059 0.003 0.000 0.953 85 L HN 0.752 nan 8.230 nan 0.000 0.452 86 S N -2.725 113.023 115.700 0.080 0.000 2.527 86 S HA 0.015 4.485 4.470 -0.000 0.000 0.222 86 S C 0.631 175.287 174.600 0.093 0.000 0.985 86 S CA -0.272 57.966 58.200 0.063 0.000 0.921 86 S CB -0.235 63.001 63.200 0.059 0.000 0.772 86 S HN 0.206 nan 8.310 nan 0.000 0.529 87 D N 4.054 124.541 120.400 0.145 0.000 2.341 87 D HA 0.319 4.959 4.640 -0.000 0.000 0.245 87 D C -2.368 174.027 176.300 0.158 0.000 1.106 87 D CA -1.548 52.540 54.000 0.148 0.000 0.905 87 D CB 0.849 41.778 40.800 0.215 0.000 1.202 87 D HN 0.216 nan 8.370 nan 0.000 0.426 88 P HA 0.037 nan 4.420 nan 0.000 0.272 88 P C 0.529 177.925 177.300 0.160 0.000 1.223 88 P CA -0.228 62.958 63.100 0.142 0.000 0.784 88 P CB 0.740 32.503 31.700 0.105 0.000 0.923 89 T N 0.907 115.606 114.554 0.241 0.000 2.803 89 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 89 T C 1.598 176.393 174.700 0.158 0.000 1.052 89 T CA 2.015 64.268 62.100 0.255 0.000 1.136 89 T CB -0.864 68.200 68.868 0.327 0.000 0.864 89 T HN 0.513 nan 8.240 nan 0.000 0.467 90 T N 1.280 115.894 114.554 0.099 0.000 3.007 90 T HA -0.012 4.338 4.350 -0.000 0.000 0.270 90 T C 1.826 176.501 174.700 -0.041 0.000 1.107 90 T CA 0.807 62.920 62.100 0.023 0.000 1.118 90 T CB -0.084 68.797 68.868 0.022 0.000 0.889 90 T HN 0.447 nan 8.240 nan 0.000 0.506 91 K N 0.387 120.693 120.400 -0.158 0.000 2.097 91 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 91 K C 0.945 177.242 176.600 -0.505 0.000 1.050 91 K CA 1.293 57.338 56.287 -0.404 0.000 0.938 91 K CB -0.056 32.044 32.500 -0.667 0.000 0.718 91 K HN 0.393 nan 8.250 nan 0.000 0.442 92 Y N -2.295 118.048 120.300 0.071 0.000 2.458 92 Y HA 0.148 4.698 4.550 -0.000 0.000 0.256 92 Y C -0.051 175.914 175.900 0.108 0.000 1.159 92 Y CA -0.518 57.610 58.100 0.048 0.000 1.261 92 Y CB 0.490 38.947 38.460 -0.005 0.000 1.119 92 Y HN 0.140 nan 8.280 nan 0.000 0.524 93 W N 1.947 123.231 121.300 -0.027 0.000 1.851 93 W HA 0.399 5.059 4.660 -0.000 0.000 0.303 93 W C -2.520 173.943 176.519 -0.092 0.000 0.969 93 W CA -3.556 53.746 57.345 -0.072 0.000 1.537 93 W CB 0.859 30.235 29.460 -0.139 0.000 1.682 93 W HN -0.094 nan 8.180 nan 0.000 0.367 94 P HA -0.245 nan 4.420 nan 0.000 0.217 94 P C 1.103 178.355 177.300 -0.081 0.000 1.148 94 P CA 2.157 65.263 63.100 0.010 0.000 0.834 94 P CB 0.504 32.224 31.700 0.034 0.000 0.783 95 E N -1.115 119.014 120.200 -0.118 0.000 2.338 95 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 95 E C 0.674 176.986 176.600 -0.480 0.000 1.007 95 E CA 0.291 56.545 56.400 -0.243 0.000 0.849 95 E CB -0.730 28.874 29.700 -0.159 0.000 0.774 95 E HN 0.144 nan 8.360 nan 0.000 0.506 96 L N 1.914 122.699 121.223 -0.730 0.000 2.415 96 L HA 0.082 4.422 4.340 -0.000 0.000 0.269 96 L C 0.737 177.383 176.870 -0.373 0.000 1.244 96 L CA 0.455 54.816 54.840 -0.799 0.000 1.113 96 L CB -0.325 41.069 42.059 -1.110 0.000 1.352 96 L HN 0.059 nan 8.230 nan 0.000 0.433 97 T N -0.315 114.101 114.554 -0.230 0.000 3.065 97 T HA 0.336 4.685 4.350 -0.000 0.000 0.252 97 T C 0.966 175.675 174.700 0.015 0.000 1.099 97 T CA 0.213 62.265 62.100 -0.079 0.000 1.063 97 T CB -0.065 68.763 68.868 -0.065 0.000 0.948 97 T HN 0.550 nan 8.240 nan 0.000 0.506 98 A N 1.501 124.355 122.820 0.057 0.000 2.561 98 A HA 0.500 4.820 4.320 -0.000 0.000 0.234 98 A C 1.864 179.569 177.584 0.202 0.000 1.055 98 A CA 0.419 52.549 52.037 0.155 0.000 0.756 98 A CB -0.155 18.998 19.000 0.256 0.000 0.986 98 A HN 0.606 nan 8.150 nan 0.000 0.505 99 K N 1.392 121.856 120.400 0.107 0.000 2.152 99 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 99 K C 1.819 178.451 176.600 0.055 0.000 1.048 99 K CA 1.983 58.313 56.287 0.071 0.000 0.933 99 K CB -0.731 31.782 32.500 0.022 0.000 0.721 99 K HN 0.972 nan 8.250 nan 0.000 0.447 100 Q N -1.360 118.448 119.800 0.013 0.000 2.364 100 Q HA -0.144 4.196 4.340 -0.000 0.000 0.207 100 Q C 1.398 177.286 176.000 -0.187 0.000 0.970 100 Q CA 1.182 56.899 55.803 -0.144 0.000 0.888 100 Q CB -0.482 28.069 28.738 -0.313 0.000 0.951 100 Q HN 0.812 nan 8.270 nan 0.000 0.469 101 W N 2.162 123.519 121.300 0.094 0.000 3.047 101 W HA 0.177 4.837 4.660 -0.000 0.000 0.250 101 W C 0.264 176.845 176.519 0.103 0.000 1.314 101 W CA -0.397 57.024 57.345 0.127 0.000 1.540 101 W CB -0.006 29.504 29.460 0.083 0.000 1.127 101 W HN 0.074 nan 8.180 nan 0.000 0.679 102 N N 0.599 119.416 118.700 0.196 0.000 2.468 102 N HA 0.244 4.984 4.740 -0.000 0.000 0.265 102 N C 1.073 176.661 175.510 0.131 0.000 1.199 102 N CA 0.957 54.097 53.050 0.151 0.000 0.928 102 N CB 0.604 39.149 38.487 0.098 0.000 1.059 102 N HN 0.214 nan 8.380 nan 0.000 0.467 103 G N 2.497 111.397 108.800 0.166 0.000 2.279 103 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.223 103 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.223 103 G C 0.219 175.294 174.900 0.292 0.000 1.015 103 G CA -0.562 44.650 45.100 0.187 0.000 0.621 103 G HN 0.544 nan 8.290 nan 0.000 0.506 104 I N 3.585 124.332 120.570 0.294 0.000 2.421 104 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 104 I C 1.361 177.752 176.117 0.456 0.000 1.089 104 I CA 0.547 62.103 61.300 0.427 0.000 1.354 104 I CB 0.618 38.794 38.000 0.292 0.000 1.413 104 I HN 0.392 nan 8.210 nan 0.000 0.513 105 T N 3.179 118.012 114.554 0.465 0.000 2.910 105 T HA 0.429 4.779 4.350 -0.000 0.000 0.279 105 T C 1.255 176.078 174.700 0.204 0.000 0.989 105 T CA -0.881 61.349 62.100 0.217 0.000 0.968 105 T CB 1.426 70.312 68.868 0.029 0.000 1.135 105 T HN 0.415 nan 8.240 nan 0.000 0.562 106 L N 0.182 121.526 121.223 0.202 0.000 2.131 106 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 106 L C 2.564 179.469 176.870 0.057 0.000 1.092 106 L CA 0.972 55.962 54.840 0.249 0.000 0.759 106 L CB -0.835 41.425 42.059 0.336 0.000 0.903 106 L HN 0.613 nan 8.230 nan 0.000 0.435 107 L N -0.264 120.928 121.223 -0.052 0.000 2.012 107 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 107 L C 2.405 179.232 176.870 -0.071 0.000 1.073 107 L CA 1.956 56.695 54.840 -0.168 0.000 0.748 107 L CB -0.664 41.301 42.059 -0.157 0.000 0.891 107 L HN 0.221 nan 8.230 nan 0.000 0.431 108 H N -0.987 118.148 119.070 0.108 0.000 2.352 108 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 108 H C 2.245 177.576 175.328 0.006 0.000 1.097 108 H CA 1.740 57.840 56.048 0.087 0.000 1.311 108 H CB -0.168 29.669 29.762 0.124 0.000 1.377 108 H HN 0.332 nan 8.280 nan 0.000 0.504 109 L N 0.051 121.365 121.223 0.151 0.000 2.017 109 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 109 L C 2.800 179.612 176.870 -0.097 0.000 1.073 109 L CA 0.850 55.750 54.840 0.099 0.000 0.745 109 L CB -0.477 41.706 42.059 0.208 0.000 0.894 109 L HN 0.341 nan 8.230 nan 0.000 0.432 110 A N -0.399 122.205 122.820 -0.359 0.000 2.067 110 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 110 A C 1.986 179.161 177.584 -0.681 0.000 1.158 110 A CA 1.899 53.462 52.037 -0.790 0.000 0.661 110 A CB -0.633 17.422 19.000 -1.575 0.000 0.801 110 A HN 0.531 nan 8.150 nan 0.000 0.452 111 T N -6.395 107.871 114.554 -0.479 0.000 3.132 111 T HA 0.325 4.675 4.350 -0.000 0.000 0.274 111 T C 0.316 174.796 174.700 -0.367 0.000 1.011 111 T CA 0.231 62.060 62.100 -0.452 0.000 0.899 111 T CB -0.802 68.077 68.868 0.018 0.000 1.089 111 T HN 0.672 nan 8.240 nan 0.000 0.543 112 Y N 0.952 121.246 120.300 -0.011 0.000 4.409 112 Y HA -0.286 4.264 4.550 -0.000 0.000 0.228 112 Y C 1.255 177.123 175.900 -0.052 0.000 1.108 112 Y CA 0.580 58.676 58.100 -0.008 0.000 1.955 112 Y CB -2.929 35.546 38.460 0.025 0.000 1.615 112 Y HN 0.585 nan 8.280 nan 0.000 0.665 113 T N -3.946 110.603 114.554 -0.009 0.000 3.214 113 T HA 0.656 5.006 4.350 -0.000 0.000 0.264 113 T C 1.419 176.064 174.700 -0.093 0.000 1.012 113 T CA 0.158 62.157 62.100 -0.168 0.000 0.901 113 T CB 0.759 69.285 68.868 -0.569 0.000 1.070 113 T HN 0.482 nan 8.240 nan 0.000 0.561 114 A N 1.458 124.297 122.820 0.031 0.000 2.015 114 A HA 0.530 4.849 4.320 -0.000 0.000 0.219 114 A C 1.952 179.592 177.584 0.093 0.000 1.163 114 A CA 0.825 52.869 52.037 0.013 0.000 0.646 114 A CB -0.829 18.181 19.000 0.017 0.000 0.806 114 A HN 1.461 nan 8.150 nan 0.000 0.448 115 G N -3.613 105.328 108.800 0.236 0.000 2.157 115 G HA2 0.413 4.373 3.960 -0.000 0.000 0.114 115 G HA3 0.413 4.373 3.960 -0.000 0.000 0.114 115 G C 0.987 176.232 174.900 0.574 0.000 1.041 115 G CA 0.432 45.771 45.100 0.400 0.000 0.714 115 G HN 1.953 nan 8.290 nan 0.000 0.492 116 G N -0.836 108.328 108.800 0.606 0.000 2.148 116 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.157 116 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.157 116 G C 0.460 175.660 174.900 0.500 0.000 1.012 116 G CA -0.072 45.337 45.100 0.514 0.000 0.677 116 G HN 1.173 nan 8.290 nan 0.000 0.506 117 L N 2.521 123.890 121.223 0.244 0.000 2.559 117 L HA 0.215 4.555 4.340 -0.000 0.000 0.282 117 L C -0.847 176.109 176.870 0.142 0.000 1.232 117 L CA -1.043 53.730 54.840 -0.111 0.000 0.885 117 L CB 0.333 42.256 42.059 -0.227 0.000 1.131 117 L HN 0.091 nan 8.230 nan 0.000 0.498 118 P HA -0.074 nan 4.420 nan 0.000 0.269 118 P C 0.520 177.898 177.300 0.130 0.000 1.215 118 P CA -0.457 62.761 63.100 0.196 0.000 0.780 118 P CB 0.942 32.793 31.700 0.252 0.000 0.898 119 L N 2.143 123.426 121.223 0.101 0.000 2.013 119 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 119 L C 0.845 177.734 176.870 0.032 0.000 1.073 119 L CA 2.003 56.874 54.840 0.053 0.000 0.753 119 L CB -1.019 41.083 42.059 0.072 0.000 0.890 119 L HN 0.471 nan 8.230 nan 0.000 0.432 120 Q N -1.028 118.792 119.800 0.033 0.000 2.377 120 Q HA 0.542 4.882 4.340 -0.000 0.000 0.271 120 Q C -0.946 175.020 176.000 -0.058 0.000 1.077 120 Q CA -1.039 54.763 55.803 -0.001 0.000 0.820 120 Q CB 2.273 30.998 28.738 -0.022 0.000 1.347 120 Q HN -0.078 nan 8.270 nan 0.000 0.444 121 V N 2.989 122.839 119.914 -0.106 0.000 2.455 121 V HA 0.170 4.290 4.120 -0.000 0.000 0.273 121 V C -2.025 173.872 176.094 -0.328 0.000 1.045 121 V CA -1.462 60.633 62.300 -0.342 0.000 0.976 121 V CB 0.231 31.917 31.823 -0.227 0.000 0.993 121 V HN 0.664 nan 8.190 nan 0.000 0.475 122 P HA 0.035 nan 4.420 nan 0.000 0.261 122 P C 0.931 178.128 177.300 -0.171 0.000 1.158 122 P CA 1.146 64.093 63.100 -0.256 0.000 0.758 122 P CB 0.334 31.870 31.700 -0.274 0.000 0.763 123 D N 2.461 122.808 120.400 -0.088 0.000 2.265 123 D HA -0.200 4.440 4.640 -0.000 0.000 0.208 123 D C 1.245 177.519 176.300 -0.043 0.000 0.977 123 D CA 1.259 55.230 54.000 -0.048 0.000 0.871 123 D CB -0.561 40.227 40.800 -0.020 0.000 0.925 123 D HN 0.546 nan 8.370 nan 0.000 0.485 124 E N -0.780 119.390 120.200 -0.051 0.000 2.481 124 E HA 0.214 4.564 4.350 -0.000 0.000 0.195 124 E C 0.434 177.012 176.600 -0.036 0.000 1.047 124 E CA -0.197 56.185 56.400 -0.030 0.000 0.867 124 E CB 0.823 30.514 29.700 -0.016 0.000 0.858 124 E HN 0.427 nan 8.360 nan 0.000 0.513 125 V N 1.122 120.989 119.914 -0.079 0.000 2.405 125 V HA 0.336 4.456 4.120 -0.000 0.000 0.264 125 V C 0.896 176.964 176.094 -0.044 0.000 1.048 125 V CA 0.747 63.001 62.300 -0.077 0.000 0.966 125 V CB 0.577 32.283 31.823 -0.196 0.000 1.015 125 V HN 0.299 nan 8.190 nan 0.000 0.477 126 K N 3.751 124.145 120.400 -0.010 0.000 2.469 126 K HA 0.345 4.665 4.320 -0.000 0.000 0.228 126 K C 1.189 177.795 176.600 0.010 0.000 1.266 126 K CA 0.649 56.934 56.287 -0.002 0.000 0.775 126 K CB -0.544 31.959 32.500 0.004 0.000 1.582 126 K HN 0.745 nan 8.250 nan 0.000 0.415 127 S N 1.065 116.778 115.700 0.022 0.000 2.580 127 S HA 0.080 4.550 4.470 -0.000 0.000 0.261 127 S C 1.292 175.924 174.600 0.054 0.000 1.366 127 S CA 0.220 58.439 58.200 0.032 0.000 0.996 127 S CB 1.104 64.326 63.200 0.036 0.000 0.902 127 S HN 0.449 nan 8.310 nan 0.000 0.566 128 S N 1.378 117.112 115.700 0.057 0.000 2.382 128 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 128 S C 2.290 176.980 174.600 0.150 0.000 1.027 128 S CA 1.249 59.502 58.200 0.088 0.000 0.991 128 S CB -0.830 62.408 63.200 0.064 0.000 0.823 128 S HN 0.929 nan 8.310 nan 0.000 0.469 129 S N 2.189 117.959 115.700 0.115 0.000 2.383 129 S HA -0.122 4.348 4.470 -0.000 0.000 0.227 129 S C 1.330 176.006 174.600 0.127 0.000 1.026 129 S CA 1.075 59.347 58.200 0.119 0.000 0.981 129 S CB -0.534 62.713 63.200 0.080 0.000 0.818 129 S HN 0.308 nan 8.310 nan 0.000 0.472 130 D N 1.619 122.083 120.400 0.108 0.000 2.117 130 D HA -0.025 4.615 4.640 -0.000 0.000 0.197 130 D C 1.880 178.280 176.300 0.167 0.000 0.987 130 D CA 0.718 54.782 54.000 0.107 0.000 0.829 130 D CB -0.568 40.270 40.800 0.064 0.000 0.961 130 D HN 0.265 nan 8.370 nan 0.000 0.460 131 L N 0.779 122.120 121.223 0.197 0.000 1.970 131 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 131 L C 2.269 179.425 176.870 0.475 0.000 1.071 131 L CA 1.369 56.399 54.840 0.316 0.000 0.751 131 L CB -0.983 41.264 42.059 0.315 0.000 0.889 131 L HN 0.070 nan 8.230 nan 0.000 0.432 132 L N -0.561 120.942 121.223 0.467 0.000 2.079 132 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 132 L C 2.664 179.590 176.870 0.092 0.000 1.081 132 L CA 1.888 56.884 54.840 0.260 0.000 0.752 132 L CB -0.645 41.525 42.059 0.184 0.000 0.896 132 L HN 0.320 nan 8.230 nan 0.000 0.433 133 R N -1.381 119.199 120.500 0.133 0.000 2.075 133 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 133 R C 2.314 178.687 176.300 0.122 0.000 1.126 133 R CA 1.760 57.920 56.100 0.099 0.000 0.963 133 R CB -0.586 29.777 30.300 0.105 0.000 0.858 133 R HN 0.463 nan 8.270 nan 0.000 0.435 134 F N 0.478 120.438 119.950 0.016 0.000 2.069 134 F HA -0.241 4.285 4.527 -0.000 0.000 0.298 134 F C 1.480 177.277 175.800 -0.006 0.000 1.113 134 F CA 1.551 59.523 58.000 -0.046 0.000 1.214 134 F CB -0.637 38.254 39.000 -0.181 0.000 0.978 134 F HN 0.018 nan 8.300 nan 0.000 0.474 135 Y N 0.520 120.762 120.300 -0.098 0.000 2.293 135 Y HA -0.157 4.393 4.550 -0.000 0.000 0.291 135 Y C 2.591 178.566 175.900 0.125 0.000 1.137 135 Y CA 1.456 59.507 58.100 -0.083 0.000 1.202 135 Y CB -0.923 37.441 38.460 -0.162 0.000 0.990 135 Y HN 0.158 nan 8.280 nan 0.000 0.537 136 Q N -0.081 119.781 119.800 0.103 0.000 2.291 136 Q HA -0.119 4.221 4.340 -0.000 0.000 0.205 136 Q C 1.099 177.196 176.000 0.161 0.000 0.970 136 Q CA 1.154 57.024 55.803 0.111 0.000 0.876 136 Q CB -0.382 28.344 28.738 -0.020 0.000 0.935 136 Q HN 0.692 nan 8.270 nan 0.000 0.455 137 N N -1.017 117.744 118.700 0.103 0.000 2.325 137 N HA -0.025 4.714 4.740 -0.000 0.000 0.182 137 N C -0.047 175.496 175.510 0.056 0.000 1.088 137 N CA -0.424 52.663 53.050 0.062 0.000 0.879 137 N CB 0.264 38.778 38.487 0.045 0.000 0.983 137 N HN 0.140 nan 8.380 nan 0.000 0.471 138 W N 3.168 124.383 121.300 -0.142 0.000 2.223 138 W HA 0.046 4.706 4.660 -0.000 0.000 0.334 138 W C -0.519 175.916 176.519 -0.141 0.000 1.334 138 W CA 0.149 57.380 57.345 -0.190 0.000 1.246 138 W CB 0.556 29.871 29.460 -0.241 0.000 1.184 138 W HN -0.084 nan 8.180 nan 0.000 0.563 139 Q N 7.253 126.519 119.800 -0.889 0.000 2.331 139 Q HA 0.322 4.662 4.340 -0.000 0.000 0.267 139 Q C -2.120 172.985 176.000 -1.491 0.000 1.006 139 Q CA -2.190 53.022 55.803 -0.986 0.000 0.818 139 Q CB 1.280 29.711 28.738 -0.511 0.000 1.276 139 Q HN 0.342 nan 8.270 nan 0.000 0.450 140 P HA 0.019 nan 4.420 nan 0.000 0.266 140 P C -0.154 176.724 177.300 -0.703 0.000 1.195 140 P CA 0.252 62.643 63.100 -1.183 0.000 0.768 140 P CB 0.769 31.998 31.700 -0.786 0.000 0.838 141 A N 2.565 124.992 122.820 -0.655 0.000 2.147 141 A HA 0.149 4.469 4.320 -0.000 0.000 0.211 141 A C 0.028 176.976 177.584 -1.061 0.000 1.160 141 A CA 0.640 52.086 52.037 -0.985 0.000 0.781 141 A CB -0.057 18.030 19.000 -1.522 0.000 0.842 141 A HN 0.522 nan 8.150 nan 0.000 0.475 142 W N -2.653 118.588 121.300 -0.100 0.000 3.042 142 W HA 0.632 5.292 4.660 -0.000 0.000 0.342 142 W C -0.088 176.368 176.519 -0.106 0.000 1.240 142 W CA -1.255 56.040 57.345 -0.085 0.000 1.166 142 W CB 0.991 30.418 29.460 -0.055 0.000 1.469 142 W HN 0.099 nan 8.180 nan 0.000 0.579 143 A N 3.388 126.298 122.820 0.150 0.000 2.386 143 A HA 0.517 4.837 4.320 -0.000 0.000 0.248 143 A C -1.975 175.612 177.584 0.004 0.000 1.082 143 A CA -0.849 51.210 52.037 0.037 0.000 0.789 143 A CB -0.659 18.362 19.000 0.035 0.000 1.025 143 A HN 0.156 nan 8.150 nan 0.000 0.490 144 P HA 0.185 nan 4.420 nan 0.000 0.269 144 P C 0.722 177.857 177.300 -0.276 0.000 1.215 144 P CA 1.373 64.298 63.100 -0.291 0.000 0.780 144 P CB 0.525 31.973 31.700 -0.420 0.000 0.898 145 G N 1.548 110.101 108.800 -0.412 0.000 2.198 145 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 145 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 145 G C 0.609 175.425 174.900 -0.139 0.000 1.025 145 G CA 0.809 45.834 45.100 -0.124 0.000 0.769 145 G HN 0.761 nan 8.290 nan 0.000 0.507 146 T N -5.123 109.317 114.554 -0.189 0.000 3.019 146 T HA 0.422 4.772 4.350 -0.000 0.000 0.247 146 T C 0.607 175.140 174.700 -0.279 0.000 0.992 146 T CA 0.729 62.739 62.100 -0.150 0.000 1.036 146 T CB 0.648 69.473 68.868 -0.071 0.000 1.063 146 T HN 0.284 nan 8.240 nan 0.000 0.476 147 Q N 0.924 120.513 119.800 -0.352 0.000 2.413 147 Q HA 0.516 4.856 4.340 -0.000 0.000 0.276 147 Q C -1.264 174.528 176.000 -0.346 0.000 1.099 147 Q CA -0.621 54.892 55.803 -0.484 0.000 0.814 147 Q CB 3.074 31.197 28.738 -1.025 0.000 1.379 147 Q HN 0.401 nan 8.270 nan 0.000 0.436 148 R N 1.870 122.203 120.500 -0.279 0.000 2.310 148 R HA 0.526 4.865 4.340 -0.000 0.000 0.324 148 R C -1.360 174.919 176.300 -0.035 0.000 0.955 148 R CA -0.588 55.443 56.100 -0.115 0.000 0.830 148 R CB 0.454 30.720 30.300 -0.057 0.000 1.154 148 R HN 0.439 nan 8.270 nan 0.000 0.458 149 L N 5.924 127.194 121.223 0.079 0.000 2.377 149 L HA 0.288 4.628 4.340 -0.000 0.000 0.270 149 L C -1.365 175.543 176.870 0.063 0.000 0.991 149 L CA -0.746 54.162 54.840 0.113 0.000 0.851 149 L CB 0.980 43.193 42.059 0.257 0.000 1.218 149 L HN 0.630 nan 8.230 nan 0.000 0.420 150 Y N 4.845 125.000 120.300 -0.242 0.000 2.881 150 Y HA 0.325 4.875 4.550 -0.000 0.000 0.335 150 Y C 0.078 175.774 175.900 -0.340 0.000 1.263 150 Y CA 1.033 58.745 58.100 -0.647 0.000 1.572 150 Y CB 0.380 38.563 38.460 -0.461 0.000 1.237 150 Y HN 0.866 nan 8.280 nan 0.000 0.568 151 A N 5.559 127.936 122.820 -0.738 0.000 2.513 151 A HA 0.289 4.609 4.320 -0.000 0.000 0.296 151 A C -0.145 177.354 177.584 -0.141 0.000 1.052 151 A CA -0.915 50.966 52.037 -0.260 0.000 0.714 151 A CB 0.904 19.919 19.000 0.024 0.000 1.279 151 A HN 0.774 nan 8.150 nan 0.000 0.397 152 N N 1.048 119.695 118.700 -0.088 0.000 2.188 152 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 152 N C 2.006 177.585 175.510 0.114 0.000 1.018 152 N CA 1.972 55.046 53.050 0.040 0.000 0.858 152 N CB -0.104 38.453 38.487 0.115 0.000 0.989 152 N HN 0.833 nan 8.380 nan 0.000 0.426 153 S N -1.088 114.699 115.700 0.145 0.000 2.481 153 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 153 S C 2.001 176.771 174.600 0.284 0.000 0.996 153 S CA 0.877 59.241 58.200 0.273 0.000 0.942 153 S CB -0.014 63.384 63.200 0.330 0.000 0.768 153 S HN 0.188 nan 8.310 nan 0.000 0.520 154 S N 1.356 117.174 115.700 0.198 0.000 2.310 154 S HA 0.235 4.704 4.470 -0.000 0.000 0.205 154 S C 1.648 176.340 174.600 0.153 0.000 1.020 154 S CA 0.508 58.815 58.200 0.178 0.000 0.939 154 S CB -0.609 62.724 63.200 0.222 0.000 0.919 154 S HN 0.557 nan 8.310 nan 0.000 0.501 155 I N 1.264 121.925 120.570 0.152 0.000 2.493 155 I HA -0.012 4.158 4.170 -0.000 0.000 0.254 155 I C 2.098 178.300 176.117 0.143 0.000 1.160 155 I CA 1.218 62.590 61.300 0.120 0.000 1.445 155 I CB -0.613 37.431 38.000 0.074 0.000 1.086 155 I HN 0.492 nan 8.210 nan 0.000 0.433 156 G N 0.985 109.838 108.800 0.089 0.000 2.418 156 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 156 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 156 G C 1.535 176.397 174.900 -0.064 0.000 1.158 156 G CA 0.876 45.965 45.100 -0.018 0.000 0.771 156 G HN 0.402 nan 8.290 nan 0.000 0.545 157 L N -0.346 120.888 121.223 0.018 0.000 2.156 157 L HA 0.200 4.540 4.340 -0.000 0.000 0.208 157 L C 2.383 179.210 176.870 -0.071 0.000 1.095 157 L CA 1.271 56.062 54.840 -0.082 0.000 0.770 157 L CB -0.611 41.349 42.059 -0.165 0.000 0.914 157 L HN 0.226 nan 8.230 nan 0.000 0.439 158 F N 0.498 120.392 119.950 -0.093 0.000 2.069 158 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 158 F C 2.221 177.968 175.800 -0.089 0.000 1.113 158 F CA 1.834 59.788 58.000 -0.075 0.000 1.214 158 F CB -1.118 37.846 39.000 -0.059 0.000 0.978 158 F HN 0.104 nan 8.300 nan 0.000 0.474 159 G N -0.151 108.531 108.800 -0.196 0.000 2.469 159 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 159 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 159 G C 1.809 176.540 174.900 -0.282 0.000 1.150 159 G CA 1.184 46.132 45.100 -0.253 0.000 0.763 159 G HN 0.698 nan 8.290 nan 0.000 0.561 160 A N 0.406 123.010 122.820 -0.360 0.000 1.898 160 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 160 A C 2.430 179.840 177.584 -0.291 0.000 1.181 160 A CA 1.272 53.118 52.037 -0.317 0.000 0.620 160 A CB -0.336 18.445 19.000 -0.365 0.000 0.819 160 A HN 0.358 nan 8.150 nan 0.000 0.442 161 L N -0.940 120.087 121.223 -0.328 0.000 2.217 161 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 161 L C 2.999 179.632 176.870 -0.394 0.000 1.107 161 L CA 0.740 55.404 54.840 -0.294 0.000 0.783 161 L CB -0.614 41.342 42.059 -0.173 0.000 0.919 161 L HN 0.424 nan 8.230 nan 0.000 0.442 162 A N 0.590 123.098 122.820 -0.520 0.000 1.940 162 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 162 A C 2.205 179.563 177.584 -0.376 0.000 1.176 162 A CA 2.013 53.701 52.037 -0.582 0.000 0.631 162 A CB -0.756 17.766 19.000 -0.796 0.000 0.814 162 A HN 0.340 nan 8.150 nan 0.000 0.446 163 V N -3.635 116.125 119.914 -0.256 0.000 3.541 163 V HA 0.008 4.128 4.120 -0.000 0.000 0.267 163 V C 1.781 177.783 176.094 -0.154 0.000 1.213 163 V CA 1.105 63.299 62.300 -0.177 0.000 1.149 163 V CB -0.532 31.227 31.823 -0.107 0.000 0.822 163 V HN 0.243 nan 8.190 nan 0.000 0.462 164 K N 1.517 121.814 120.400 -0.171 0.000 2.020 164 K HA -0.107 4.212 4.320 -0.000 0.000 0.212 164 K C 0.353 176.913 176.600 -0.065 0.000 1.050 164 K CA 2.277 58.499 56.287 -0.109 0.000 0.929 164 K CB -2.051 30.402 32.500 -0.078 0.000 0.714 164 K HN 0.458 nan 8.250 nan 0.000 0.443 165 P HA -0.135 nan 4.420 nan 0.000 0.216 165 P C 1.481 178.758 177.300 -0.039 0.000 1.150 165 P CA 1.769 64.858 63.100 -0.020 0.000 0.843 165 P CB -0.100 31.586 31.700 -0.024 0.000 0.787 166 S N -1.607 114.051 115.700 -0.071 0.000 2.507 166 S HA 0.054 4.524 4.470 -0.000 0.000 0.235 166 S C 1.890 176.454 174.600 -0.059 0.000 0.988 166 S CA 1.010 59.169 58.200 -0.068 0.000 0.944 166 S CB -1.488 61.656 63.200 -0.092 0.000 0.762 166 S HN 0.313 nan 8.310 nan 0.000 0.526 167 G N 0.649 109.415 108.800 -0.057 0.000 2.212 167 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.266 167 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.266 167 G C 0.063 174.928 174.900 -0.057 0.000 0.978 167 G CA 0.627 45.698 45.100 -0.048 0.000 0.632 167 G HN 0.586 nan 8.290 nan 0.000 0.537 168 L N 1.519 122.698 121.223 -0.074 0.000 2.456 168 L HA 0.556 4.896 4.340 -0.000 0.000 0.257 168 L C 1.525 178.347 176.870 -0.080 0.000 1.162 168 L CA -0.163 54.628 54.840 -0.082 0.000 0.808 168 L CB 1.042 43.036 42.059 -0.108 0.000 1.136 168 L HN 0.402 nan 8.230 nan 0.000 0.466 169 S N -0.067 115.590 115.700 -0.072 0.000 2.624 169 S HA 0.108 4.578 4.470 -0.000 0.000 0.263 169 S C 0.768 175.339 174.600 -0.048 0.000 1.287 169 S CA -0.474 57.699 58.200 -0.045 0.000 0.990 169 S CB 0.575 63.755 63.200 -0.034 0.000 0.950 169 S HN 0.526 nan 8.310 nan 0.000 0.561 170 F N 1.120 120.979 119.950 -0.152 0.000 2.095 170 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 170 F C 2.510 178.197 175.800 -0.188 0.000 1.104 170 F CA 2.219 60.113 58.000 -0.177 0.000 1.232 170 F CB -0.473 38.423 39.000 -0.174 0.000 0.987 170 F HN 0.939 nan 8.300 nan 0.000 0.475 171 E N -0.616 119.519 120.200 -0.109 0.000 2.077 171 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 171 E C 2.173 178.607 176.600 -0.277 0.000 0.989 171 E CA 1.216 57.494 56.400 -0.203 0.000 0.800 171 E CB -0.105 29.573 29.700 -0.036 0.000 0.746 171 E HN 0.377 nan 8.360 nan 0.000 0.452 172 Q N 0.130 119.812 119.800 -0.196 0.000 2.079 172 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 172 Q C 2.128 177.974 176.000 -0.258 0.000 0.974 172 Q CA 1.439 57.132 55.803 -0.184 0.000 0.840 172 Q CB -0.547 28.120 28.738 -0.118 0.000 0.898 172 Q HN 0.386 nan 8.270 nan 0.000 0.430 173 A N 0.611 123.253 122.820 -0.296 0.000 1.883 173 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 173 A C 2.158 179.475 177.584 -0.445 0.000 1.186 173 A CA 2.085 53.926 52.037 -0.326 0.000 0.624 173 A CB -0.526 18.275 19.000 -0.331 0.000 0.822 173 A HN 0.367 nan 8.150 nan 0.000 0.444 174 M N -0.388 118.814 119.600 -0.665 0.000 2.117 174 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 174 M C 2.164 177.920 176.300 -0.907 0.000 1.065 174 M CA 1.948 56.722 55.300 -0.876 0.000 1.114 174 M CB -0.523 31.371 32.600 -1.177 0.000 1.361 174 M HN 0.531 nan 8.290 nan 0.000 0.408 175 Q N -1.095 118.304 119.800 -0.668 0.000 2.050 175 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 175 Q C 1.940 177.781 176.000 -0.266 0.000 0.980 175 Q CA 2.344 57.896 55.803 -0.418 0.000 0.840 175 Q CB -0.377 28.218 28.738 -0.240 0.000 0.898 175 Q HN 0.765 nan 8.270 nan 0.000 0.424 176 T N -1.959 112.453 114.554 -0.237 0.000 3.014 176 T HA 0.022 4.372 4.350 -0.000 0.000 0.263 176 T C 1.676 176.290 174.700 -0.143 0.000 1.078 176 T CA 0.488 62.492 62.100 -0.159 0.000 1.135 176 T CB 0.033 68.820 68.868 -0.134 0.000 0.895 176 T HN 0.136 nan 8.240 nan 0.000 0.480 177 R N 0.021 120.409 120.500 -0.188 0.000 2.237 177 R HA 0.360 4.700 4.340 -0.000 0.000 0.195 177 R C 1.589 177.830 176.300 -0.098 0.000 0.956 177 R CA 0.305 56.324 56.100 -0.136 0.000 1.029 177 R CB 0.336 30.545 30.300 -0.152 0.000 0.972 177 R HN 0.305 nan 8.270 nan 0.000 0.493 178 V N -0.987 118.834 119.914 -0.155 0.000 3.134 178 V HA 0.024 4.144 4.120 -0.000 0.000 0.222 178 V C 1.434 177.586 176.094 0.097 0.000 1.247 178 V CA 0.411 62.691 62.300 -0.033 0.000 1.281 178 V CB -0.383 31.388 31.823 -0.087 0.000 1.169 178 V HN -0.037 nan 8.190 nan 0.000 0.512 179 F N 1.546 121.421 119.950 -0.126 0.000 2.069 179 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 179 F C 2.613 178.325 175.800 -0.147 0.000 1.113 179 F CA 1.605 59.495 58.000 -0.182 0.000 1.214 179 F CB -1.215 37.572 39.000 -0.356 0.000 0.978 179 F HN 0.199 nan 8.300 nan 0.000 0.474 180 Q N -0.187 119.640 119.800 0.046 0.000 1.993 180 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 180 Q C -0.257 175.743 176.000 -0.001 0.000 0.984 180 Q CA 1.917 57.709 55.803 -0.020 0.000 0.837 180 Q CB -1.553 27.150 28.738 -0.058 0.000 0.902 180 Q HN 0.254 nan 8.270 nan 0.000 0.423 181 P HA -0.164 nan 4.420 nan 0.000 0.217 181 P C 0.590 177.914 177.300 0.041 0.000 1.148 181 P CA 1.245 64.356 63.100 0.017 0.000 0.828 181 P CB 0.032 31.743 31.700 0.019 0.000 0.783 182 L N -1.471 119.801 121.223 0.081 0.000 2.592 182 L HA 0.155 4.495 4.340 -0.000 0.000 0.227 182 L C 0.356 177.270 176.870 0.073 0.000 1.127 182 L CA 0.036 54.941 54.840 0.107 0.000 0.884 182 L CB -0.671 41.518 42.059 0.216 0.000 1.065 182 L HN -0.046 nan 8.230 nan 0.000 0.457 183 K N 1.055 121.471 120.400 0.028 0.000 3.150 183 K HA -0.168 4.152 4.320 -0.000 0.000 0.267 183 K C -0.356 176.223 176.600 -0.036 0.000 1.028 183 K CA 0.410 56.688 56.287 -0.015 0.000 0.753 183 K CB -1.852 30.644 32.500 -0.006 0.000 1.288 183 K HN 0.349 nan 8.250 nan 0.000 0.473 184 L N 1.365 122.549 121.223 -0.065 0.000 2.389 184 L HA 0.149 4.489 4.340 -0.000 0.000 0.265 184 L C 0.882 177.568 176.870 -0.307 0.000 1.167 184 L CA -0.601 54.148 54.840 -0.151 0.000 1.045 184 L CB 0.174 42.104 42.059 -0.214 0.000 1.351 184 L HN 0.142 nan 8.230 nan 0.000 0.419 185 N N 0.547 119.078 118.700 -0.281 0.000 2.521 185 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 185 N C 0.519 175.635 175.510 -0.657 0.000 1.146 185 N CA 0.635 53.416 53.050 -0.450 0.000 0.893 185 N CB 0.093 38.328 38.487 -0.420 0.000 0.975 185 N HN 0.505 nan 8.380 nan 0.000 0.451 186 H N -0.955 118.000 119.070 -0.193 0.000 2.790 186 H HA 0.266 4.822 4.556 -0.000 0.000 0.232 186 H C -0.411 174.787 175.328 -0.218 0.000 1.313 186 H CA -0.127 55.887 56.048 -0.056 0.000 1.011 186 H CB 0.330 30.093 29.762 0.001 0.000 2.105 186 H HN -0.132 nan 8.280 nan 0.000 0.580 187 T N 0.836 115.024 114.554 -0.609 0.000 2.841 187 T HA 0.370 4.720 4.350 -0.000 0.000 0.285 187 T C -0.766 173.197 174.700 -1.229 0.000 0.991 187 T CA -0.477 61.094 62.100 -0.881 0.000 0.966 187 T CB 1.456 69.558 68.868 -1.276 0.000 0.962 187 T HN 0.217 nan 8.240 nan 0.000 0.438 188 W N 1.628 122.605 121.300 -0.539 0.000 3.107 188 W HA 0.566 5.226 4.660 0.000 0.000 0.331 188 W C 0.616 177.003 176.519 -0.220 0.000 1.204 188 W CA -0.839 56.328 57.345 -0.297 0.000 1.184 188 W CB 1.059 30.362 29.460 -0.263 0.000 1.421 188 W HN 0.478 nan 8.180 nan 0.000 0.544 189 I N 1.473 122.142 120.570 0.165 0.000 2.585 189 I HA -0.022 4.148 4.170 -0.000 0.000 0.254 189 I C 0.169 176.299 176.117 0.022 0.000 1.129 189 I CA 0.851 62.188 61.300 0.063 0.000 1.455 189 I CB 0.008 38.056 38.000 0.080 0.000 1.111 189 I HN 0.285 nan 8.210 nan 0.000 0.433 190 N N 1.638 120.393 118.700 0.091 0.000 2.483 190 N HA 0.198 4.938 4.740 -0.000 0.000 0.267 190 N C -0.698 174.741 175.510 -0.118 0.000 0.998 190 N CA -0.209 52.828 53.050 -0.022 0.000 0.918 190 N CB 2.432 40.915 38.487 -0.007 0.000 1.215 190 N HN -0.139 nan 8.380 nan 0.000 0.500 191 V N 1.728 121.461 119.914 -0.302 0.000 2.425 191 V HA 0.259 4.379 4.120 -0.000 0.000 0.276 191 V C -1.732 174.029 176.094 -0.556 0.000 1.017 191 V CA -1.112 60.863 62.300 -0.541 0.000 1.062 191 V CB -0.260 31.172 31.823 -0.651 0.000 0.997 191 V HN 0.449 nan 8.190 nan 0.000 0.476 192 P HA 0.307 nan 4.420 nan 0.000 0.274 192 P C -2.294 174.768 177.300 -0.397 0.000 1.246 192 P CA -1.670 61.053 63.100 -0.627 0.000 0.795 192 P CB 0.722 31.883 31.700 -0.899 0.000 1.006 193 P HA -0.195 nan 4.420 nan 0.000 0.216 193 P C 1.571 178.787 177.300 -0.142 0.000 1.153 193 P CA 2.389 65.396 63.100 -0.154 0.000 0.858 193 P CB -0.523 31.110 31.700 -0.111 0.000 0.789 194 A N -0.246 122.477 122.820 -0.162 0.000 2.024 194 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 194 A C 1.992 179.512 177.584 -0.107 0.000 1.164 194 A CA 1.558 53.528 52.037 -0.112 0.000 0.643 194 A CB -0.827 18.114 19.000 -0.097 0.000 0.806 194 A HN 0.158 nan 8.150 nan 0.000 0.451 195 E N -0.692 119.397 120.200 -0.184 0.000 2.472 195 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 195 E C 1.387 177.926 176.600 -0.101 0.000 1.033 195 E CA 0.146 56.457 56.400 -0.148 0.000 0.886 195 E CB -0.031 29.517 29.700 -0.253 0.000 0.944 195 E HN 0.750 nan 8.360 nan 0.000 0.492 196 E N 1.392 121.539 120.200 -0.088 0.000 2.171 196 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 196 E C 1.921 178.539 176.600 0.030 0.000 0.997 196 E CA 1.424 57.824 56.400 -0.000 0.000 0.810 196 E CB -0.092 29.607 29.700 -0.001 0.000 0.738 196 E HN 0.238 nan 8.360 nan 0.000 0.467 197 K N -0.034 120.373 120.400 0.010 0.000 2.362 197 K HA -0.073 4.247 4.320 -0.000 0.000 0.200 197 K C 0.986 177.602 176.600 0.027 0.000 1.046 197 K CA 1.513 57.815 56.287 0.025 0.000 0.952 197 K CB 0.012 32.520 32.500 0.014 0.000 0.753 197 K HN 0.056 nan 8.250 nan 0.000 0.466 198 N N -0.509 118.202 118.700 0.019 0.000 2.220 198 N HA 0.010 4.750 4.740 -0.000 0.000 0.195 198 N C -0.875 174.663 175.510 0.045 0.000 1.123 198 N CA -0.447 52.611 53.050 0.014 0.000 0.874 198 N CB 0.338 38.814 38.487 -0.020 0.000 0.995 198 N HN 0.184 nan 8.380 nan 0.000 0.498 199 Y N 2.600 122.819 120.300 -0.136 0.000 2.624 199 Y HA 0.298 4.847 4.550 -0.000 0.000 0.354 199 Y C 0.408 176.202 175.900 -0.176 0.000 1.051 199 Y CA -1.328 56.652 58.100 -0.200 0.000 1.377 199 Y CB 0.042 38.331 38.460 -0.285 0.000 1.168 199 Y HN 0.005 nan 8.280 nan 0.000 0.525 200 A N 5.968 128.806 122.820 0.031 0.000 2.507 200 A HA -0.016 4.304 4.320 -0.000 0.000 0.235 200 A C -0.995 176.557 177.584 -0.052 0.000 1.070 200 A CA -0.094 51.922 52.037 -0.034 0.000 0.768 200 A CB 0.292 19.207 19.000 -0.142 0.000 1.011 200 A HN 0.932 nan 8.150 nan 0.000 0.502 201 W N 0.076 121.348 121.300 -0.047 0.000 2.381 201 W HA 0.506 5.166 4.660 -0.000 0.000 0.329 201 W C 0.734 176.909 176.519 -0.573 0.000 1.157 201 W CA 0.292 57.426 57.345 -0.352 0.000 1.240 201 W CB 1.503 30.611 29.460 -0.587 0.000 1.199 201 W HN 0.897 nan 8.180 nan 0.000 0.579 202 G N 1.971 110.547 108.800 -0.374 0.000 2.343 202 G HA2 0.502 4.462 3.960 -0.000 0.000 0.319 202 G HA3 0.502 4.462 3.960 -0.000 0.000 0.319 202 G C -2.010 172.538 174.900 -0.588 0.000 1.126 202 G CA -0.497 44.124 45.100 -0.798 0.000 0.889 202 G HN 0.396 nan 8.290 nan 0.000 0.457 203 Y N 0.900 121.110 120.300 -0.150 0.000 2.331 203 Y HA 0.539 5.089 4.550 -0.000 0.000 0.338 203 Y C 0.740 176.629 175.900 -0.018 0.000 0.992 203 Y CA -0.711 57.357 58.100 -0.052 0.000 1.121 203 Y CB 2.027 40.463 38.460 -0.040 0.000 1.184 203 Y HN 0.482 nan 8.280 nan 0.000 0.469 204 R N 2.914 123.483 120.500 0.116 0.000 2.467 204 R HA 0.289 4.629 4.340 -0.000 0.000 0.299 204 R C -0.973 175.374 176.300 0.078 0.000 1.120 204 R CA -0.368 55.785 56.100 0.089 0.000 0.940 204 R CB 0.222 30.561 30.300 0.066 0.000 1.161 204 R HN 0.901 nan 8.270 nan 0.000 0.506 205 E N 2.522 122.768 120.200 0.076 0.000 2.358 205 E HA -0.218 4.132 4.350 -0.000 0.000 0.246 205 E C 0.665 177.299 176.600 0.056 0.000 1.127 205 E CA 0.691 57.123 56.400 0.052 0.000 0.726 205 E CB -1.231 28.492 29.700 0.038 0.000 1.272 205 E HN 1.164 nan 8.360 nan 0.000 0.390 206 G N -1.447 107.404 108.800 0.085 0.000 2.322 206 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.264 206 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.264 206 G C 0.545 175.541 174.900 0.160 0.000 0.992 206 G CA 1.155 46.309 45.100 0.090 0.000 0.624 206 G HN 0.884 nan 8.290 nan 0.000 0.543 207 K N 0.201 120.665 120.400 0.106 0.000 2.297 207 K HA 0.858 5.178 4.320 -0.000 0.000 0.286 207 K C 0.478 177.056 176.600 -0.038 0.000 1.053 207 K CA 0.626 56.930 56.287 0.029 0.000 0.940 207 K CB 0.833 33.328 32.500 -0.009 0.000 1.019 207 K HN 1.935 nan 8.250 nan 0.000 0.475 208 A N 1.728 124.420 122.820 -0.214 0.000 2.454 208 A HA 0.557 4.877 4.320 -0.000 0.000 0.260 208 A C 0.413 177.814 177.584 -0.304 0.000 1.106 208 A CA 0.305 51.997 52.037 -0.575 0.000 0.780 208 A CB -0.536 17.880 19.000 -0.974 0.000 1.044 208 A HN 1.882 nan 8.150 nan 0.000 0.498 209 V N 0.751 120.621 119.914 -0.074 0.000 3.206 209 V HA 0.753 4.873 4.120 -0.000 0.000 0.305 209 V C -0.728 175.492 176.094 0.210 0.000 1.257 209 V CA -0.889 61.488 62.300 0.128 0.000 1.057 209 V CB 1.414 33.288 31.823 0.085 0.000 1.075 209 V HN 0.979 nan 8.190 nan 0.000 0.443 210 H N -0.649 118.550 119.070 0.215 0.000 2.895 210 H HA 0.656 5.212 4.556 -0.000 0.000 0.373 210 H C -0.795 174.636 175.328 0.172 0.000 1.174 210 H CA -0.859 55.268 56.048 0.131 0.000 1.144 210 H CB 2.315 32.027 29.762 -0.084 0.000 1.793 210 H HN 0.821 nan 8.280 nan 0.000 0.551 211 V N 2.294 122.399 119.914 0.318 0.000 2.788 211 V HA -0.025 4.095 4.120 -0.000 0.000 0.307 211 V C -0.165 176.054 176.094 0.209 0.000 1.069 211 V CA 0.509 62.957 62.300 0.247 0.000 1.173 211 V CB 0.810 32.786 31.823 0.255 0.000 0.925 211 V HN 0.739 nan 8.190 nan 0.000 0.492 212 S N 7.295 123.106 115.700 0.184 0.000 2.562 212 S HA 0.489 4.959 4.470 -0.000 0.000 0.275 212 S C -2.240 172.448 174.600 0.146 0.000 1.281 212 S CA -0.676 57.612 58.200 0.146 0.000 1.045 212 S CB 1.230 64.499 63.200 0.114 0.000 0.962 212 S HN 0.830 nan 8.310 nan 0.000 0.503 213 P HA 0.426 nan 4.420 nan 0.000 0.268 213 P C -0.065 177.282 177.300 0.078 0.000 1.208 213 P CA 0.047 63.188 63.100 0.067 0.000 0.777 213 P CB 0.398 32.123 31.700 0.041 0.000 0.875 214 G N -0.383 108.449 108.800 0.054 0.000 2.547 214 G HA2 0.533 4.493 3.960 -0.000 0.000 0.291 214 G HA3 0.533 4.493 3.960 -0.000 0.000 0.291 214 G C -1.440 173.462 174.900 0.003 0.000 1.471 214 G CA -0.321 44.816 45.100 0.061 0.000 0.798 214 G HN 0.526 nan 8.290 nan 0.000 0.504 215 A N 0.246 123.062 122.820 -0.008 0.000 2.531 215 A HA 0.530 4.850 4.320 -0.000 0.000 0.236 215 A C 1.479 179.029 177.584 -0.057 0.000 1.062 215 A CA 0.532 52.547 52.037 -0.037 0.000 0.760 215 A CB -0.353 18.619 19.000 -0.046 0.000 0.995 215 A HN 1.786 nan 8.150 nan 0.000 0.501 216 L N 0.461 121.618 121.223 -0.109 0.000 3.858 216 L HA -0.320 4.020 4.340 -0.000 0.000 0.425 216 L C 1.059 177.755 176.870 -0.290 0.000 1.177 216 L CA 0.673 55.403 54.840 -0.184 0.000 0.943 216 L CB -1.646 40.360 42.059 -0.088 0.000 1.861 216 L HN 1.025 nan 8.230 nan 0.000 0.985 217 D N -0.230 119.957 120.400 -0.356 0.000 2.149 217 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 217 D C 1.956 177.840 176.300 -0.694 0.000 0.972 217 D CA 1.243 54.783 54.000 -0.768 0.000 0.835 217 D CB -0.042 40.438 40.800 -0.533 0.000 0.966 217 D HN 0.416 nan 8.370 nan 0.000 0.476 218 A N 0.725 123.310 122.820 -0.392 0.000 1.933 218 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 218 A C 2.086 179.518 177.584 -0.252 0.000 1.175 218 A CA 1.687 53.591 52.037 -0.221 0.000 0.628 218 A CB -0.580 18.390 19.000 -0.050 0.000 0.814 218 A HN 0.175 nan 8.150 nan 0.000 0.444 219 E N -0.188 119.653 120.200 -0.599 0.000 2.107 219 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 219 E C 2.030 178.500 176.600 -0.217 0.000 0.982 219 E CA 1.298 57.285 56.400 -0.690 0.000 0.809 219 E CB -0.269 28.929 29.700 -0.837 0.000 0.756 219 E HN 0.585 nan 8.360 nan 0.000 0.459 220 A N -0.411 122.280 122.820 -0.214 0.000 2.014 220 A HA 0.073 4.393 4.320 -0.000 0.000 0.210 220 A C 0.833 178.514 177.584 0.162 0.000 1.188 220 A CA 0.805 52.849 52.037 0.011 0.000 0.731 220 A CB -0.049 19.037 19.000 0.144 0.000 0.858 220 A HN 0.440 nan 8.150 nan 0.000 0.464 221 Y N -4.710 115.613 120.300 0.038 0.000 3.075 221 Y HA 0.414 4.964 4.550 -0.000 0.000 0.270 221 Y C 0.856 176.777 175.900 0.034 0.000 1.071 221 Y CA -0.473 57.662 58.100 0.059 0.000 1.269 221 Y CB -0.486 38.014 38.460 0.067 0.000 1.291 221 Y HN -0.007 nan 8.280 nan 0.000 0.613 222 G N 1.084 109.756 108.800 -0.214 0.000 3.262 222 G HA2 0.384 4.344 3.960 -0.000 0.000 0.228 222 G HA3 0.384 4.344 3.960 -0.000 0.000 0.228 222 G C -0.268 174.584 174.900 -0.079 0.000 1.197 222 G CA 0.130 45.140 45.100 -0.150 0.000 0.819 222 G HN 0.126 nan 8.290 nan 0.000 0.531 223 V N 0.199 120.073 119.914 -0.068 0.000 2.481 223 V HA 0.489 4.609 4.120 -0.000 0.000 0.286 223 V C -0.414 175.571 176.094 -0.182 0.000 1.042 223 V CA -0.694 61.512 62.300 -0.157 0.000 0.928 223 V CB 1.690 33.339 31.823 -0.289 0.000 0.986 223 V HN 0.146 nan 8.190 nan 0.000 0.462 224 K N 2.326 122.579 120.400 -0.245 0.000 2.345 224 K HA 0.787 5.106 4.320 -0.000 0.000 0.255 224 K C -0.618 175.848 176.600 -0.224 0.000 0.934 224 K CA -0.156 55.988 56.287 -0.238 0.000 0.801 224 K CB 2.059 34.329 32.500 -0.384 0.000 1.137 224 K HN 0.698 nan 8.250 nan 0.000 0.424 225 S N 0.338 115.978 115.700 -0.101 0.000 2.638 225 S HA 0.629 5.099 4.470 -0.000 0.000 0.274 225 S C -1.104 173.567 174.600 0.119 0.000 1.157 225 S CA -0.696 57.461 58.200 -0.072 0.000 0.826 225 S CB 1.061 64.174 63.200 -0.144 0.000 1.139 225 S HN 0.671 nan 8.310 nan 0.000 0.474 226 T N 0.072 114.694 114.554 0.114 0.000 2.927 226 T HA 0.469 4.819 4.350 -0.000 0.000 0.281 226 T C 1.517 176.314 174.700 0.163 0.000 0.998 226 T CA -0.420 61.792 62.100 0.187 0.000 1.019 226 T CB 0.409 69.323 68.868 0.077 0.000 1.061 226 T HN 0.521 nan 8.240 nan 0.000 0.518 227 I N -0.404 120.265 120.570 0.165 0.000 2.614 227 I HA 0.046 4.216 4.170 -0.000 0.000 0.258 227 I C 2.142 178.366 176.117 0.178 0.000 1.189 227 I CA 0.851 62.254 61.300 0.171 0.000 1.462 227 I CB -1.214 36.917 38.000 0.219 0.000 1.092 227 I HN 0.713 nan 8.210 nan 0.000 0.442 228 E N 1.193 121.390 120.200 -0.006 0.000 2.072 228 E HA -0.172 4.177 4.350 -0.000 0.000 0.190 228 E C 1.512 178.188 176.600 0.127 0.000 0.982 228 E CA 1.309 57.683 56.400 -0.043 0.000 0.803 228 E CB -0.211 29.351 29.700 -0.230 0.000 0.755 228 E HN 0.488 nan 8.360 nan 0.000 0.453 229 D N 0.333 120.794 120.400 0.102 0.000 2.144 229 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 229 D C 1.847 178.267 176.300 0.201 0.000 0.978 229 D CA 0.915 54.981 54.000 0.110 0.000 0.833 229 D CB 0.003 40.812 40.800 0.015 0.000 0.961 229 D HN 0.057 nan 8.370 nan 0.000 0.470 230 M N 0.300 120.035 119.600 0.226 0.000 2.229 230 M HA 0.029 4.509 4.480 -0.000 0.000 0.264 230 M C 2.195 178.694 176.300 0.333 0.000 1.063 230 M CA 0.567 56.064 55.300 0.329 0.000 1.114 230 M CB -1.079 31.694 32.600 0.288 0.000 1.387 230 M HN -0.035 nan 8.290 nan 0.000 0.420 231 A N 0.028 123.022 122.820 0.290 0.000 1.877 231 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 231 A C 2.370 180.058 177.584 0.174 0.000 1.186 231 A CA 2.027 54.209 52.037 0.243 0.000 0.620 231 A CB -0.671 18.541 19.000 0.353 0.000 0.822 231 A HN 0.427 nan 8.150 nan 0.000 0.443 232 R N -1.179 119.442 120.500 0.202 0.000 2.096 232 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 232 R C 2.115 178.540 176.300 0.208 0.000 1.127 232 R CA 1.709 57.905 56.100 0.160 0.000 0.968 232 R CB -0.472 29.924 30.300 0.161 0.000 0.861 232 R HN 0.818 nan 8.270 nan 0.000 0.440 233 W N 0.044 121.384 121.300 0.066 0.000 2.358 233 W HA -0.203 4.457 4.660 -0.000 0.000 0.303 233 W C 1.335 177.819 176.519 -0.059 0.000 1.208 233 W CA 1.250 58.627 57.345 0.054 0.000 1.274 233 W CB -0.031 29.517 29.460 0.148 0.000 1.138 233 W HN -0.001 nan 8.180 nan 0.000 0.515 234 V N 1.537 121.444 119.914 -0.011 0.000 2.295 234 V HA -0.348 3.772 4.120 -0.000 0.000 0.246 234 V C 2.426 178.211 176.094 -0.515 0.000 1.049 234 V CA 2.361 64.438 62.300 -0.371 0.000 1.024 234 V CB -1.016 30.707 31.823 -0.167 0.000 0.648 234 V HN 0.255 nan 8.190 nan 0.000 0.447 235 Q N -0.086 119.557 119.800 -0.262 0.000 2.061 235 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 235 Q C 2.447 178.269 176.000 -0.297 0.000 0.984 235 Q CA 2.064 57.719 55.803 -0.247 0.000 0.846 235 Q CB -0.386 28.280 28.738 -0.120 0.000 0.902 235 Q HN 0.610 nan 8.270 nan 0.000 0.421 236 S N 1.095 116.643 115.700 -0.253 0.000 2.368 236 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 236 S C 1.560 175.914 174.600 -0.411 0.000 1.030 236 S CA 1.135 59.187 58.200 -0.248 0.000 0.999 236 S CB -0.235 62.891 63.200 -0.123 0.000 0.844 236 S HN 0.377 nan 8.310 nan 0.000 0.459 237 N N 0.755 119.041 118.700 -0.689 0.000 2.416 237 N HA 0.071 4.811 4.740 -0.000 0.000 0.177 237 N C 1.442 176.456 175.510 -0.827 0.000 1.036 237 N CA 0.360 52.925 53.050 -0.808 0.000 0.901 237 N CB -0.109 37.692 38.487 -1.143 0.000 0.976 237 N HN 0.191 nan 8.380 nan 0.000 0.444 238 L N 1.025 121.723 121.223 -0.875 0.000 2.044 238 L HA 0.044 4.383 4.340 -0.000 0.000 0.205 238 L C 0.863 177.538 176.870 -0.324 0.000 1.075 238 L CA 1.736 56.200 54.840 -0.627 0.000 0.747 238 L CB -0.138 41.595 42.059 -0.543 0.000 0.903 238 L HN -0.123 nan 8.230 nan 0.000 0.435 239 K N -1.206 119.022 120.400 -0.287 0.000 2.753 239 K HA 0.254 4.574 4.320 -0.000 0.000 0.185 239 K C -1.969 174.532 176.600 -0.165 0.000 1.071 239 K CA -1.432 54.742 56.287 -0.188 0.000 0.999 239 K CB 1.110 33.517 32.500 -0.156 0.000 1.244 239 K HN -0.082 nan 8.250 nan 0.000 0.594 240 P HA -0.181 nan 4.420 nan 0.000 0.218 240 P C 0.830 178.080 177.300 -0.084 0.000 1.146 240 P CA 0.637 63.662 63.100 -0.125 0.000 0.813 240 P CB 0.279 31.914 31.700 -0.108 0.000 0.778 241 L N -0.585 120.590 121.223 -0.079 0.000 2.362 241 L HA -0.109 4.231 4.340 -0.000 0.000 0.219 241 L C 1.242 178.080 176.870 -0.054 0.000 1.134 241 L CA 1.809 56.613 54.840 -0.060 0.000 0.807 241 L CB -1.161 40.864 42.059 -0.057 0.000 0.927 241 L HN -0.092 nan 8.230 nan 0.000 0.447 242 D N -0.960 119.403 120.400 -0.062 0.000 2.349 242 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 242 D C 0.754 177.030 176.300 -0.040 0.000 1.029 242 D CA 0.349 54.318 54.000 -0.051 0.000 0.879 242 D CB 0.159 40.924 40.800 -0.059 0.000 0.906 242 D HN 0.233 nan 8.370 nan 0.000 0.528 243 I N 2.088 122.635 120.570 -0.040 0.000 2.379 243 I HA 0.013 4.183 4.170 -0.000 0.000 0.290 243 I C 1.457 177.564 176.117 -0.018 0.000 1.063 243 I CA -0.295 60.990 61.300 -0.024 0.000 1.351 243 I CB 0.808 38.795 38.000 -0.020 0.000 1.410 243 I HN -0.126 nan 8.210 nan 0.000 0.505 244 N N 5.025 123.717 118.700 -0.013 0.000 2.084 244 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 244 N C 0.154 175.659 175.510 -0.010 0.000 1.030 244 N CA 1.059 54.102 53.050 -0.012 0.000 0.849 244 N CB -0.034 38.447 38.487 -0.010 0.000 1.012 244 N HN 0.579 nan 8.380 nan 0.000 0.423 245 E N 1.868 122.065 120.200 -0.005 0.000 2.238 245 E HA 0.046 4.396 4.350 -0.000 0.000 0.264 245 E C 0.750 177.348 176.600 -0.004 0.000 1.136 245 E CA 0.043 56.440 56.400 -0.005 0.000 0.929 245 E CB 0.614 30.313 29.700 -0.002 0.000 1.010 245 E HN 0.173 nan 8.360 nan 0.000 0.440 246 K N 1.284 121.680 120.400 -0.007 0.000 2.030 246 K HA -0.293 4.027 4.320 -0.000 0.000 0.222 246 K C 2.061 178.661 176.600 -0.001 0.000 1.056 246 K CA 2.333 58.616 56.287 -0.006 0.000 0.957 246 K CB -0.641 31.855 32.500 -0.006 0.000 0.727 246 K HN 0.630 nan 8.250 nan 0.000 0.452 247 T N 0.376 114.930 114.554 -0.000 0.000 2.803 247 T HA -0.152 4.197 4.350 -0.000 0.000 0.269 247 T C 1.854 176.562 174.700 0.014 0.000 1.052 247 T CA 1.318 63.421 62.100 0.005 0.000 1.136 247 T CB -0.255 68.612 68.868 -0.002 0.000 0.864 247 T HN 0.128 nan 8.240 nan 0.000 0.467 248 L N 0.882 122.114 121.223 0.014 0.000 2.156 248 L HA 0.166 4.506 4.340 -0.000 0.000 0.208 248 L C 2.739 179.626 176.870 0.028 0.000 1.095 248 L CA 1.583 56.442 54.840 0.032 0.000 0.770 248 L CB -0.924 41.158 42.059 0.038 0.000 0.914 248 L HN 0.376 nan 8.230 nan 0.000 0.439 249 Q N -0.913 118.892 119.800 0.009 0.000 2.050 249 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 249 Q C 2.196 178.196 176.000 -0.001 0.000 0.980 249 Q CA 2.022 57.821 55.803 -0.007 0.000 0.840 249 Q CB -0.059 28.671 28.738 -0.014 0.000 0.898 249 Q HN 0.638 nan 8.270 nan 0.000 0.424 250 Q N -0.635 119.170 119.800 0.009 0.000 2.079 250 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 250 Q C 2.013 178.036 176.000 0.040 0.000 0.974 250 Q CA 1.304 57.118 55.803 0.018 0.000 0.840 250 Q CB -0.315 28.435 28.738 0.019 0.000 0.898 250 Q HN 0.580 nan 8.270 nan 0.000 0.430 251 G N 0.962 109.792 108.800 0.050 0.000 2.476 251 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 251 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 251 G C 1.374 176.334 174.900 0.100 0.000 1.164 251 G CA 0.969 46.118 45.100 0.083 0.000 0.768 251 G HN 0.284 nan 8.290 nan 0.000 0.560 252 I N 0.156 120.765 120.570 0.065 0.000 2.315 252 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 252 I C 3.040 179.178 176.117 0.036 0.000 1.117 252 I CA 1.087 62.411 61.300 0.040 0.000 1.404 252 I CB -0.230 37.737 38.000 -0.055 0.000 1.071 252 I HN 0.269 nan 8.210 nan 0.000 0.419 253 Q N 0.482 120.294 119.800 0.019 0.000 2.046 253 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 253 Q C 2.381 178.411 176.000 0.051 0.000 0.975 253 Q CA 1.326 57.135 55.803 0.010 0.000 0.836 253 Q CB -0.124 28.610 28.738 -0.007 0.000 0.896 253 Q HN 0.500 nan 8.270 nan 0.000 0.428 254 L N 0.169 121.444 121.223 0.087 0.000 2.127 254 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 254 L C 2.327 179.343 176.870 0.243 0.000 1.089 254 L CA 0.881 55.809 54.840 0.148 0.000 0.757 254 L CB -0.498 41.655 42.059 0.156 0.000 0.899 254 L HN 0.215 nan 8.230 nan 0.000 0.434 255 A N -1.060 121.901 122.820 0.235 0.000 2.168 255 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 255 A C 2.002 179.798 177.584 0.353 0.000 1.152 255 A CA 0.904 53.135 52.037 0.322 0.000 0.716 255 A CB -0.178 19.041 19.000 0.366 0.000 0.794 255 A HN 0.488 nan 8.150 nan 0.000 0.465 256 Q N -0.144 119.782 119.800 0.210 0.000 2.219 256 Q HA 0.197 4.536 4.340 -0.000 0.000 0.209 256 Q C -0.248 175.776 176.000 0.040 0.000 0.854 256 Q CA -0.296 55.581 55.803 0.122 0.000 0.960 256 Q CB 0.539 29.281 28.738 0.008 0.000 1.116 256 Q HN 0.488 nan 8.270 nan 0.000 0.500 257 S N 0.938 116.644 115.700 0.010 0.000 2.585 257 S HA 0.255 4.725 4.470 -0.000 0.000 0.273 257 S C 0.006 174.420 174.600 -0.311 0.000 1.339 257 S CA -0.226 57.829 58.200 -0.241 0.000 1.028 257 S CB 0.621 63.542 63.200 -0.465 0.000 0.906 257 S HN 0.224 nan 8.310 nan 0.000 0.528 258 R N 1.622 121.917 120.500 -0.341 0.000 2.204 258 R HA 0.244 4.584 4.340 -0.000 0.000 0.341 258 R C -0.320 175.816 176.300 -0.274 0.000 1.035 258 R CA -0.137 55.867 56.100 -0.160 0.000 0.887 258 R CB 0.310 30.496 30.300 -0.190 0.000 1.114 258 R HN 0.693 nan 8.270 nan 0.000 0.473 259 Y N 0.651 120.954 120.300 0.005 0.000 2.436 259 Y HA 0.109 4.659 4.550 -0.000 0.000 0.288 259 Y C 0.203 175.817 175.900 -0.476 0.000 1.112 259 Y CA 0.379 58.324 58.100 -0.258 0.000 1.220 259 Y CB 0.432 38.746 38.460 -0.243 0.000 1.073 259 Y HN 0.455 nan 8.280 nan 0.000 0.552 260 W N -0.535 120.940 121.300 0.291 0.000 3.062 260 W HA 0.580 5.240 4.660 0.000 0.000 0.336 260 W C -0.934 175.699 176.519 0.190 0.000 1.224 260 W CA -1.054 56.418 57.345 0.210 0.000 1.159 260 W CB 1.096 30.659 29.460 0.171 0.000 1.454 260 W HN -0.462 nan 8.180 nan 0.000 0.569 261 Q N 1.096 121.108 119.800 0.352 0.000 2.331 261 Q HA 0.642 4.981 4.340 -0.000 0.000 0.272 261 Q C -1.407 174.612 176.000 0.031 0.000 1.062 261 Q CA -0.533 55.298 55.803 0.046 0.000 0.806 261 Q CB 2.615 31.300 28.738 -0.087 0.000 1.312 261 Q HN 0.454 nan 8.270 nan 0.000 0.431 262 T N 2.191 116.707 114.554 -0.064 0.000 3.031 262 T HA 0.626 4.976 4.350 -0.000 0.000 0.305 262 T C 0.357 174.998 174.700 -0.098 0.000 0.985 262 T CA 0.767 62.837 62.100 -0.049 0.000 1.008 262 T CB 0.743 69.600 68.868 -0.018 0.000 1.005 262 T HN 1.137 nan 8.240 nan 0.000 0.444 263 G N 5.319 114.064 108.800 -0.092 0.000 2.583 263 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.292 263 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.292 263 G C 0.269 175.079 174.900 -0.150 0.000 1.203 263 G CA 0.729 45.771 45.100 -0.096 0.000 0.987 263 G HN 1.110 nan 8.290 nan 0.000 0.554 264 D N 0.468 120.787 120.400 -0.134 0.000 2.358 264 D HA 0.327 4.967 4.640 -0.000 0.000 0.224 264 D C 1.133 177.321 176.300 -0.187 0.000 1.123 264 D CA 0.695 54.605 54.000 -0.150 0.000 0.833 264 D CB -0.367 40.384 40.800 -0.082 0.000 0.946 264 D HN 0.939 nan 8.370 nan 0.000 0.505 265 M N -1.022 118.440 119.600 -0.230 0.000 2.578 265 M HA 0.640 5.120 4.480 -0.000 0.000 0.321 265 M C -1.691 174.435 176.300 -0.290 0.000 1.182 265 M CA -0.812 54.416 55.300 -0.121 0.000 0.965 265 M CB 2.017 34.647 32.600 0.050 0.000 1.694 265 M HN -0.227 nan 8.290 nan 0.000 0.461 266 Y N 0.382 120.786 120.300 0.173 0.000 2.446 266 Y HA 0.547 5.097 4.550 -0.000 0.000 0.345 266 Y C -0.563 175.496 175.900 0.264 0.000 0.984 266 Y CA -0.640 57.578 58.100 0.197 0.000 1.058 266 Y CB 1.941 40.484 38.460 0.139 0.000 1.220 266 Y HN 0.667 nan 8.280 nan 0.000 0.455 267 Q N 1.655 121.734 119.800 0.465 0.000 2.278 267 Q HA 0.604 4.944 4.340 -0.000 0.000 0.257 267 Q C -0.085 176.216 176.000 0.501 0.000 0.928 267 Q CA -0.223 55.856 55.803 0.461 0.000 0.932 267 Q CB 1.309 30.328 28.738 0.469 0.000 1.221 267 Q HN 0.904 nan 8.270 nan 0.000 0.434 268 G N 2.661 111.726 108.800 0.442 0.000 2.890 268 G HA2 0.517 4.477 3.960 -0.000 0.000 0.189 268 G HA3 0.517 4.477 3.960 -0.000 0.000 0.189 268 G C -1.011 174.055 174.900 0.276 0.000 1.342 268 G CA -0.834 44.556 45.100 0.482 0.000 1.026 268 G HN 0.577 nan 8.290 nan 0.000 0.579 269 L N 1.168 122.528 121.223 0.229 0.000 2.270 269 L HA 0.461 4.801 4.340 -0.000 0.000 0.286 269 L C 1.382 178.315 176.870 0.104 0.000 1.059 269 L CA 0.408 55.261 54.840 0.021 0.000 0.839 269 L CB 0.546 42.613 42.059 0.014 0.000 1.221 269 L HN 1.050 nan 8.230 nan 0.000 0.431 270 G N 2.261 111.092 108.800 0.052 0.000 3.444 270 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.222 270 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.222 270 G C -0.032 174.914 174.900 0.077 0.000 1.358 270 G CA -0.161 44.960 45.100 0.035 0.000 0.880 270 G HN 0.519 nan 8.290 nan 0.000 0.555 271 W N 2.114 123.549 121.300 0.225 0.000 2.184 271 W HA 0.626 5.286 4.660 -0.000 0.000 0.338 271 W C 0.705 177.376 176.519 0.254 0.000 1.257 271 W CA -0.377 57.098 57.345 0.216 0.000 1.243 271 W CB 0.535 30.087 29.460 0.153 0.000 1.122 271 W HN 0.270 nan 8.180 nan 0.000 0.585 272 E N 1.590 122.148 120.200 0.597 0.000 2.238 272 E HA 0.515 4.865 4.350 -0.000 0.000 0.267 272 E C -0.848 176.040 176.600 0.480 0.000 0.887 272 E CA -1.064 55.648 56.400 0.518 0.000 0.769 272 E CB 1.705 31.716 29.700 0.518 0.000 1.187 272 E HN 0.162 nan 8.360 nan 0.000 0.416 273 M N 2.084 121.910 119.600 0.377 0.000 2.591 273 M HA 0.519 4.999 4.480 -0.000 0.000 0.306 273 M C -1.430 175.071 176.300 0.334 0.000 1.190 273 M CA -0.452 55.011 55.300 0.271 0.000 0.889 273 M CB 1.641 34.348 32.600 0.179 0.000 1.728 273 M HN 0.309 nan 8.290 nan 0.000 0.458 274 L N 0.442 121.836 121.223 0.285 0.000 2.434 274 L HA 0.509 4.849 4.340 -0.000 0.000 0.260 274 L C -0.930 176.104 176.870 0.275 0.000 0.983 274 L CA -0.659 54.353 54.840 0.288 0.000 0.820 274 L CB 2.062 44.206 42.059 0.143 0.000 1.361 274 L HN 0.537 nan 8.230 nan 0.000 0.410 275 D N 1.233 121.785 120.400 0.253 0.000 2.455 275 D HA -0.011 4.629 4.640 -0.000 0.000 0.241 275 D C -0.912 175.523 176.300 0.224 0.000 1.138 275 D CA 0.242 54.359 54.000 0.194 0.000 0.877 275 D CB 1.025 41.910 40.800 0.141 0.000 1.187 275 D HN 0.333 nan 8.370 nan 0.000 0.451 276 W N 4.916 126.277 121.300 0.101 0.000 2.469 276 W HA 0.327 4.986 4.660 -0.000 0.000 0.320 276 W C -2.349 174.226 176.519 0.094 0.000 1.086 276 W CA -1.864 55.562 57.345 0.134 0.000 1.211 276 W CB 1.038 30.602 29.460 0.172 0.000 1.298 276 W HN 0.245 nan 8.180 nan 0.000 0.525 277 P HA 0.199 nan 4.420 nan 0.000 0.275 277 P C -0.846 176.119 177.300 -0.559 0.000 1.228 277 P CA -0.035 62.299 63.100 -1.277 0.000 0.786 277 P CB 1.861 33.004 31.700 -0.929 0.000 0.927 278 V N 2.026 121.618 119.914 -0.537 0.000 2.850 278 V HA 0.296 4.416 4.120 -0.000 0.000 0.315 278 V C 0.651 176.446 176.094 -0.498 0.000 1.064 278 V CA -0.917 61.160 62.300 -0.371 0.000 0.979 278 V CB 1.507 33.113 31.823 -0.362 0.000 1.039 278 V HN 0.628 nan 8.190 nan 0.000 0.452 279 N N 3.965 122.408 118.700 -0.428 0.000 2.411 279 N HA 0.213 4.953 4.740 -0.000 0.000 0.259 279 N C -1.419 173.693 175.510 -0.664 0.000 1.103 279 N CA -1.896 50.883 53.050 -0.452 0.000 0.954 279 N CB 1.712 40.021 38.487 -0.297 0.000 1.085 279 N HN 0.317 nan 8.380 nan 0.000 0.485 280 P HA -0.132 nan 4.420 nan 0.000 0.216 280 P C 0.358 177.266 177.300 -0.654 0.000 1.150 280 P CA 1.143 63.507 63.100 -1.226 0.000 0.837 280 P CB 0.503 31.169 31.700 -1.724 0.000 0.786 281 D N -0.500 119.632 120.400 -0.448 0.000 2.144 281 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 281 D C 2.233 178.388 176.300 -0.241 0.000 0.984 281 D CA 1.035 54.867 54.000 -0.280 0.000 0.834 281 D CB -0.760 39.916 40.800 -0.207 0.000 0.955 281 D HN 0.114 nan 8.370 nan 0.000 0.465 282 S N 0.513 116.054 115.700 -0.265 0.000 2.351 282 S HA -0.155 4.315 4.470 -0.000 0.000 0.220 282 S C 2.164 176.656 174.600 -0.180 0.000 1.035 282 S CA 1.528 59.606 58.200 -0.204 0.000 1.031 282 S CB -0.326 62.748 63.200 -0.210 0.000 0.928 282 S HN 0.412 nan 8.310 nan 0.000 0.433 283 I N -0.939 119.483 120.570 -0.247 0.000 2.394 283 I HA -0.035 4.134 4.170 -0.000 0.000 0.251 283 I C 2.077 178.144 176.117 -0.083 0.000 1.136 283 I CA 1.219 62.436 61.300 -0.138 0.000 1.425 283 I CB -0.535 37.313 38.000 -0.253 0.000 1.079 283 I HN 0.277 nan 8.210 nan 0.000 0.425 284 I N 2.245 122.717 120.570 -0.164 0.000 2.110 284 I HA -0.254 3.916 4.170 -0.000 0.000 0.236 284 I C 2.275 178.335 176.117 -0.095 0.000 1.068 284 I CA 2.109 63.336 61.300 -0.122 0.000 1.333 284 I CB -0.672 37.239 38.000 -0.148 0.000 1.054 284 I HN 0.298 nan 8.210 nan 0.000 0.402 285 N N 0.556 119.194 118.700 -0.104 0.000 2.223 285 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 285 N C 1.872 177.341 175.510 -0.067 0.000 1.016 285 N CA 1.022 54.023 53.050 -0.081 0.000 0.863 285 N CB -0.263 38.174 38.487 -0.085 0.000 0.983 285 N HN 0.406 nan 8.380 nan 0.000 0.429 286 G N 0.372 109.134 108.800 -0.063 0.000 2.471 286 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 286 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 286 G C 1.571 176.452 174.900 -0.032 0.000 1.125 286 G CA 0.900 45.977 45.100 -0.038 0.000 0.775 286 G HN 0.419 nan 8.290 nan 0.000 0.548 287 S N -0.249 115.428 115.700 -0.038 0.000 2.496 287 S HA 0.008 4.477 4.470 -0.000 0.000 0.224 287 S C 0.851 175.397 174.600 -0.091 0.000 0.996 287 S CA 0.072 58.233 58.200 -0.065 0.000 0.927 287 S CB -0.044 63.105 63.200 -0.085 0.000 0.774 287 S HN 0.305 nan 8.310 nan 0.000 0.524 288 D N 2.154 122.509 120.400 -0.076 0.000 2.488 288 D HA 0.024 4.664 4.640 -0.000 0.000 0.238 288 D C 0.362 176.619 176.300 -0.070 0.000 1.138 288 D CA 0.099 54.058 54.000 -0.069 0.000 0.873 288 D CB 0.476 41.243 40.800 -0.054 0.000 1.183 288 D HN 0.113 nan 8.370 nan 0.000 0.458 289 N N 3.497 122.156 118.700 -0.067 0.000 2.443 289 N HA -0.133 4.606 4.740 -0.000 0.000 0.184 289 N C 1.327 176.811 175.510 -0.044 0.000 1.037 289 N CA 0.608 53.618 53.050 -0.065 0.000 0.896 289 N CB 0.049 38.506 38.487 -0.049 0.000 0.959 289 N HN 0.532 nan 8.380 nan 0.000 0.442 290 K N 0.421 120.800 120.400 -0.035 0.000 2.113 290 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 290 K C 1.762 178.346 176.600 -0.026 0.000 1.047 290 K CA 1.035 57.308 56.287 -0.023 0.000 0.928 290 K CB 0.061 32.547 32.500 -0.023 0.000 0.716 290 K HN 0.240 nan 8.250 nan 0.000 0.446 291 I N -0.321 120.226 120.570 -0.039 0.000 2.899 291 I HA -0.038 4.132 4.170 -0.000 0.000 0.257 291 I C 2.362 178.445 176.117 -0.056 0.000 1.115 291 I CA 0.352 61.627 61.300 -0.042 0.000 1.451 291 I CB -0.224 37.750 38.000 -0.044 0.000 1.251 291 I HN 0.018 nan 8.210 nan 0.000 0.456 292 A N 1.240 124.009 122.820 -0.086 0.000 1.986 292 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 292 A C 2.134 179.623 177.584 -0.159 0.000 1.171 292 A CA 1.650 53.596 52.037 -0.151 0.000 0.640 292 A CB -0.782 18.088 19.000 -0.216 0.000 0.811 292 A HN 0.457 nan 8.150 nan 0.000 0.451 293 L N -1.427 119.746 121.223 -0.082 0.000 2.607 293 L HA 0.269 4.609 4.340 -0.000 0.000 0.228 293 L C 1.229 178.118 176.870 0.032 0.000 1.123 293 L CA -0.035 54.802 54.840 -0.006 0.000 0.890 293 L CB -0.381 41.691 42.059 0.021 0.000 1.103 293 L HN 0.370 nan 8.230 nan 0.000 0.468 294 A N 0.821 123.647 122.820 0.009 0.000 2.332 294 A HA 0.651 4.971 4.320 -0.000 0.000 0.258 294 A C 0.439 178.030 177.584 0.012 0.000 1.087 294 A CA -0.124 51.927 52.037 0.024 0.000 0.802 294 A CB 0.437 19.439 19.000 0.004 0.000 1.042 294 A HN 0.197 nan 8.150 nan 0.000 0.489 295 A N 1.273 124.104 122.820 0.017 0.000 2.425 295 A HA 0.614 4.934 4.320 -0.000 0.000 0.249 295 A C 0.481 177.968 177.584 -0.160 0.000 1.084 295 A CA -0.006 51.973 52.037 -0.096 0.000 0.781 295 A CB 0.188 19.081 19.000 -0.178 0.000 1.019 295 A HN 0.832 nan 8.150 nan 0.000 0.490 296 R N 1.582 121.956 120.500 -0.211 0.000 2.626 296 R HA 0.462 4.802 4.340 -0.000 0.000 0.274 296 R C -2.969 173.197 176.300 -0.222 0.000 1.031 296 R CA -1.736 54.258 56.100 -0.176 0.000 0.898 296 R CB 2.654 32.897 30.300 -0.095 0.000 1.222 296 R HN 0.552 nan 8.270 nan 0.000 0.455 297 P HA 0.049 nan 4.420 nan 0.000 0.271 297 P C -0.705 176.535 177.300 -0.099 0.000 1.216 297 P CA -0.152 62.843 63.100 -0.176 0.000 0.776 297 P CB 0.986 32.610 31.700 -0.127 0.000 0.881 298 V N -0.203 119.664 119.914 -0.079 0.000 2.769 298 V HA 0.609 4.729 4.120 -0.000 0.000 0.312 298 V C -0.289 175.930 176.094 0.208 0.000 1.061 298 V CA -1.095 61.238 62.300 0.055 0.000 0.931 298 V CB 2.165 33.965 31.823 -0.039 0.000 1.010 298 V HN 0.502 nan 8.190 nan 0.000 0.433 299 K N 3.038 123.613 120.400 0.292 0.000 2.307 299 K HA 0.786 5.106 4.320 -0.000 0.000 0.263 299 K C -0.008 176.814 176.600 0.370 0.000 0.973 299 K CA -0.340 56.111 56.287 0.274 0.000 0.846 299 K CB 1.692 34.282 32.500 0.149 0.000 1.100 299 K HN 1.211 nan 8.250 nan 0.000 0.438 300 A N 5.027 128.036 122.820 0.315 0.000 2.462 300 A HA 0.267 4.587 4.320 -0.000 0.000 0.243 300 A C 0.060 177.586 177.584 -0.096 0.000 1.076 300 A CA -0.289 51.697 52.037 -0.086 0.000 0.773 300 A CB 0.076 18.973 19.000 -0.170 0.000 1.010 300 A HN 0.686 nan 8.150 nan 0.000 0.493 301 I N 3.358 123.799 120.570 -0.216 0.000 2.361 301 I HA 0.191 4.361 4.170 -0.000 0.000 0.282 301 I C -0.100 175.917 176.117 -0.167 0.000 1.075 301 I CA 0.146 61.375 61.300 -0.119 0.000 1.205 301 I CB 0.011 37.955 38.000 -0.092 0.000 1.406 301 I HN 0.523 nan 8.210 nan 0.000 0.481 302 T N 6.946 121.433 114.554 -0.111 0.000 2.781 302 T HA 0.484 4.834 4.350 -0.000 0.000 0.305 302 T C -1.404 173.255 174.700 -0.069 0.000 1.001 302 T CA -0.914 61.129 62.100 -0.094 0.000 0.950 302 T CB 1.054 69.886 68.868 -0.060 0.000 0.955 302 T HN 0.449 nan 8.240 nan 0.000 0.471 303 P HA 0.520 nan 4.420 nan 0.000 0.284 303 P C -3.075 174.135 177.300 -0.151 0.000 1.287 303 P CA -2.277 60.762 63.100 -0.102 0.000 0.824 303 P CB 0.142 31.798 31.700 -0.074 0.000 1.180 304 P HA 0.046 nan 4.420 nan 0.000 0.262 304 P C -0.289 176.843 177.300 -0.280 0.000 1.182 304 P CA 0.616 63.506 63.100 -0.350 0.000 0.761 304 P CB -0.100 31.251 31.700 -0.582 0.000 0.795 305 T N 6.059 120.450 114.554 -0.273 0.000 2.814 305 T HA 0.226 4.576 4.350 -0.000 0.000 0.297 305 T C -2.088 172.477 174.700 -0.226 0.000 0.956 305 T CA -1.053 60.917 62.100 -0.217 0.000 1.123 305 T CB -0.055 68.678 68.868 -0.225 0.000 0.902 305 T HN 0.254 nan 8.240 nan 0.000 0.528 306 P HA 0.179 nan 4.420 nan 0.000 0.268 306 P C -0.489 176.734 177.300 -0.128 0.000 1.208 306 P CA -0.375 62.644 63.100 -0.135 0.000 0.777 306 P CB 0.322 31.965 31.700 -0.095 0.000 0.875 307 A N 2.400 125.160 122.820 -0.101 0.000 2.591 307 A HA 0.039 4.359 4.320 -0.000 0.000 0.244 307 A C 0.105 177.636 177.584 -0.088 0.000 1.031 307 A CA 0.352 52.337 52.037 -0.086 0.000 0.767 307 A CB -0.684 18.279 19.000 -0.061 0.000 0.942 307 A HN 0.368 nan 8.150 nan 0.000 0.514 308 V N 5.957 125.814 119.914 -0.095 0.000 2.364 308 V HA 0.153 4.273 4.120 -0.000 0.000 0.272 308 V C 1.545 177.606 176.094 -0.055 0.000 1.036 308 V CA -0.345 61.907 62.300 -0.080 0.000 0.880 308 V CB 0.949 32.712 31.823 -0.099 0.000 0.991 308 V HN 1.068 nan 8.190 nan 0.000 0.460 309 R N 3.531 124.004 120.500 -0.044 0.000 2.083 309 R HA -0.073 4.267 4.340 -0.000 0.000 0.237 309 R C 1.275 177.562 176.300 -0.021 0.000 1.137 309 R CA 1.498 57.574 56.100 -0.041 0.000 0.951 309 R CB -0.090 30.186 30.300 -0.040 0.000 0.851 309 R HN 0.750 nan 8.270 nan 0.000 0.434 310 A N 1.570 124.403 122.820 0.022 0.000 2.981 310 A HA 0.256 4.576 4.320 -0.000 0.000 0.280 310 A C -0.609 177.067 177.584 0.153 0.000 1.743 310 A CA 0.249 52.350 52.037 0.106 0.000 1.430 310 A CB 0.138 19.228 19.000 0.149 0.000 1.085 310 A HN 0.084 nan 8.150 nan 0.000 0.597 311 S N 1.061 116.825 115.700 0.106 0.000 2.546 311 S HA 0.524 4.994 4.470 -0.000 0.000 0.274 311 S C -1.179 173.493 174.600 0.120 0.000 1.121 311 S CA -0.561 57.716 58.200 0.129 0.000 0.887 311 S CB 1.224 64.418 63.200 -0.009 0.000 1.094 311 S HN 0.724 nan 8.310 nan 0.000 0.474 312 W N 4.301 125.626 121.300 0.043 0.000 2.291 312 W HA 0.594 5.254 4.660 -0.000 0.000 0.312 312 W C -1.904 174.472 176.519 -0.237 0.000 1.061 312 W CA -0.531 56.796 57.345 -0.030 0.000 1.296 312 W CB 0.598 30.159 29.460 0.169 0.000 1.223 312 W HN 0.354 nan 8.180 nan 0.000 0.421 313 V N 7.737 127.190 119.914 -0.769 0.000 2.459 313 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 313 V C 0.071 175.741 176.094 -0.706 0.000 1.029 313 V CA -0.325 61.500 62.300 -0.791 0.000 0.874 313 V CB 1.251 32.154 31.823 -1.533 0.000 0.985 313 V HN 0.710 nan 8.190 nan 0.000 0.438 314 H N 2.714 121.719 119.070 -0.109 0.000 2.905 314 H HA 0.910 5.466 4.556 -0.000 0.000 0.280 314 H C -1.276 174.323 175.328 0.453 0.000 1.445 314 H CA -1.324 54.797 56.048 0.121 0.000 1.165 314 H CB 2.095 31.963 29.762 0.178 0.000 1.857 314 H HN 0.420 nan 8.280 nan 0.000 0.567 315 K N 1.130 121.647 120.400 0.195 0.000 2.594 315 K HA 0.194 4.514 4.320 -0.000 0.000 0.262 315 K C -1.357 175.362 176.600 0.199 0.000 0.954 315 K CA 0.226 56.581 56.287 0.112 0.000 0.917 315 K CB 1.511 34.078 32.500 0.112 0.000 1.343 315 K HN 0.967 nan 8.250 nan 0.000 0.428 316 T N 0.079 114.757 114.554 0.207 0.000 2.847 316 T HA 0.874 5.224 4.350 -0.000 0.000 0.279 316 T C 0.428 175.237 174.700 0.182 0.000 0.984 316 T CA -0.220 62.042 62.100 0.270 0.000 0.988 316 T CB 1.566 70.482 68.868 0.079 0.000 1.040 316 T HN 0.750 nan 8.240 nan 0.000 0.528 317 G N -1.019 107.887 108.800 0.177 0.000 2.702 317 G HA2 0.718 4.678 3.960 -0.000 0.000 0.296 317 G HA3 0.718 4.678 3.960 -0.000 0.000 0.296 317 G C -1.589 173.411 174.900 0.165 0.000 1.463 317 G CA -0.475 44.733 45.100 0.181 0.000 0.890 317 G HN 1.177 nan 8.290 nan 0.000 0.534 318 A N 0.330 123.247 122.820 0.161 0.000 2.605 318 A HA 0.979 5.299 4.320 -0.000 0.000 0.294 318 A C -0.150 177.526 177.584 0.153 0.000 1.062 318 A CA 0.122 52.258 52.037 0.166 0.000 0.682 318 A CB 1.540 20.604 19.000 0.106 0.000 1.278 318 A HN 1.996 nan 8.150 nan 0.000 0.410 319 T N -1.702 112.982 114.554 0.217 0.000 2.888 319 T HA 0.634 4.984 4.350 -0.000 0.000 0.288 319 T C 1.336 176.158 174.700 0.202 0.000 1.063 319 T CA 0.083 62.297 62.100 0.189 0.000 1.010 319 T CB 1.169 70.204 68.868 0.279 0.000 1.214 319 T HN 1.723 nan 8.240 nan 0.000 0.533 320 G N -0.120 108.777 108.800 0.163 0.000 2.503 320 G HA2 0.064 4.024 3.960 -0.000 0.000 0.221 320 G HA3 0.064 4.024 3.960 -0.000 0.000 0.221 320 G C 1.122 176.120 174.900 0.163 0.000 1.131 320 G CA 0.713 45.896 45.100 0.138 0.000 0.756 320 G HN 1.215 nan 8.290 nan 0.000 0.572 321 G N -1.449 107.495 108.800 0.241 0.000 3.377 321 G HA2 0.489 4.449 3.960 -0.000 0.000 0.257 321 G HA3 0.489 4.449 3.960 -0.000 0.000 0.257 321 G C -0.432 174.475 174.900 0.012 0.000 1.038 321 G CA -0.504 44.662 45.100 0.110 0.000 0.809 321 G HN 0.193 nan 8.290 nan 0.000 0.526 322 F N -0.334 119.742 119.950 0.210 0.000 2.588 322 F HA 0.708 5.235 4.527 -0.000 0.000 0.314 322 F C 0.348 176.288 175.800 0.232 0.000 1.069 322 F CA -1.059 57.100 58.000 0.266 0.000 0.931 322 F CB 2.571 41.748 39.000 0.295 0.000 1.260 322 F HN 0.007 nan 8.300 nan 0.000 0.465 323 G N 0.770 109.857 108.800 0.480 0.000 2.723 323 G HA2 0.564 4.524 3.960 -0.000 0.000 0.295 323 G HA3 0.564 4.524 3.960 -0.000 0.000 0.295 323 G C -1.528 173.565 174.900 0.322 0.000 1.464 323 G CA -0.689 44.589 45.100 0.296 0.000 1.012 323 G HN 0.749 nan 8.290 nan 0.000 0.522 324 S N 0.893 116.743 115.700 0.250 0.000 2.632 324 S HA 0.868 5.338 4.470 -0.000 0.000 0.289 324 S C -1.478 173.320 174.600 0.331 0.000 1.115 324 S CA -1.020 57.347 58.200 0.279 0.000 0.889 324 S CB 2.491 65.848 63.200 0.262 0.000 1.116 324 S HN 1.226 nan 8.310 nan 0.000 0.486 325 Y N -0.047 120.361 120.300 0.181 0.000 2.474 325 Y HA 0.584 5.134 4.550 -0.000 0.000 0.326 325 Y C -2.122 173.932 175.900 0.257 0.000 1.160 325 Y CA -0.756 57.462 58.100 0.197 0.000 1.056 325 Y CB 1.385 39.950 38.460 0.176 0.000 1.330 325 Y HN 0.789 nan 8.280 nan 0.000 0.447 326 V N 4.399 124.120 119.914 -0.322 0.000 2.709 326 V HA 0.988 5.108 4.120 -0.000 0.000 0.308 326 V C -0.884 174.984 176.094 -0.376 0.000 1.062 326 V CA -0.219 62.005 62.300 -0.128 0.000 0.901 326 V CB 1.537 33.564 31.823 0.340 0.000 1.003 326 V HN 1.038 nan 8.190 nan 0.000 0.425 327 A N 4.756 127.389 122.820 -0.312 0.000 2.517 327 A HA 0.980 5.300 4.320 -0.000 0.000 0.297 327 A C -1.306 175.986 177.584 -0.487 0.000 1.050 327 A CA -0.485 51.220 52.037 -0.554 0.000 0.694 327 A CB 1.575 20.175 19.000 -0.667 0.000 1.277 327 A HN 1.418 nan 8.150 nan 0.000 0.400 328 F N -0.304 119.206 119.950 -0.733 0.000 2.645 328 F HA 0.858 5.385 4.527 -0.000 0.000 0.310 328 F C -1.308 174.138 175.800 -0.591 0.000 1.102 328 F CA -1.341 56.300 58.000 -0.598 0.000 0.952 328 F CB 1.353 40.065 39.000 -0.479 0.000 1.326 328 F HN 0.308 nan 8.300 nan 0.000 0.456 329 I N 2.473 122.877 120.570 -0.277 0.000 2.437 329 I HA 0.321 4.491 4.170 -0.000 0.000 0.279 329 I C -2.132 173.887 176.117 -0.164 0.000 1.028 329 I CA -1.902 59.200 61.300 -0.330 0.000 1.142 329 I CB 1.758 39.408 38.000 -0.583 0.000 1.266 329 I HN 0.383 nan 8.210 nan 0.000 0.461 330 P HA -0.242 nan 4.420 nan 0.000 0.216 330 P C 1.435 178.670 177.300 -0.109 0.000 1.157 330 P CA 1.326 64.393 63.100 -0.056 0.000 0.880 330 P CB 0.300 31.980 31.700 -0.033 0.000 0.791 331 E N -0.245 119.886 120.200 -0.113 0.000 2.209 331 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 331 E C 1.143 177.666 176.600 -0.129 0.000 0.993 331 E CA 1.039 57.378 56.400 -0.101 0.000 0.819 331 E CB -0.098 29.563 29.700 -0.065 0.000 0.745 331 E HN 0.088 nan 8.360 nan 0.000 0.477 332 K N 0.313 120.599 120.400 -0.189 0.000 2.374 332 K HA 0.050 4.370 4.320 -0.000 0.000 0.196 332 K C -0.163 176.326 176.600 -0.184 0.000 1.023 332 K CA 0.141 56.312 56.287 -0.193 0.000 1.103 332 K CB 0.548 32.888 32.500 -0.268 0.000 0.848 332 K HN 0.159 nan 8.250 nan 0.000 0.528 333 E N 0.794 120.893 120.200 -0.169 0.000 2.360 333 E HA -0.231 4.119 4.350 -0.000 0.000 0.238 333 E C -0.763 175.745 176.600 -0.154 0.000 1.186 333 E CA 0.345 56.647 56.400 -0.163 0.000 0.719 333 E CB -1.391 28.210 29.700 -0.165 0.000 1.236 333 E HN 0.065 nan 8.360 nan 0.000 0.386 334 L N -0.368 120.767 121.223 -0.146 0.000 2.408 334 L HA 0.780 5.120 4.340 -0.000 0.000 0.268 334 L C 0.062 176.874 176.870 -0.098 0.000 0.986 334 L CA 0.198 54.979 54.840 -0.099 0.000 0.820 334 L CB 2.087 44.076 42.059 -0.117 0.000 1.303 334 L HN 0.070 nan 8.230 nan 0.000 0.411 335 G N 4.106 112.882 108.800 -0.041 0.000 2.660 335 G HA2 0.628 4.588 3.960 -0.000 0.000 0.290 335 G HA3 0.628 4.588 3.960 -0.000 0.000 0.290 335 G C -2.207 172.707 174.900 0.022 0.000 1.432 335 G CA -0.462 44.618 45.100 -0.032 0.000 0.807 335 G HN 0.778 nan 8.290 nan 0.000 0.485 336 I N -0.323 120.266 120.570 0.032 0.000 2.827 336 I HA 0.678 4.848 4.170 -0.000 0.000 0.298 336 I C -1.387 174.809 176.117 0.131 0.000 1.235 336 I CA -1.053 60.310 61.300 0.105 0.000 1.021 336 I CB 2.358 40.438 38.000 0.134 0.000 1.259 336 I HN 0.371 nan 8.210 nan 0.000 0.427 337 V N 7.137 127.166 119.914 0.192 0.000 2.531 337 V HA 0.496 4.616 4.120 -0.000 0.000 0.301 337 V C -0.512 175.726 176.094 0.239 0.000 1.034 337 V CA -0.409 62.020 62.300 0.214 0.000 0.865 337 V CB 1.786 33.749 31.823 0.234 0.000 0.995 337 V HN 0.639 nan 8.190 nan 0.000 0.424 338 M N 6.332 126.085 119.600 0.254 0.000 2.085 338 M HA 0.591 5.071 4.480 -0.000 0.000 0.309 338 M C -1.303 175.119 176.300 0.204 0.000 0.947 338 M CA -0.130 55.326 55.300 0.260 0.000 0.918 338 M CB 1.639 34.447 32.600 0.347 0.000 1.504 338 M HN 0.405 nan 8.290 nan 0.000 0.420 339 L N 3.111 124.362 121.223 0.047 0.000 2.319 339 L HA 0.925 5.264 4.340 -0.000 0.000 0.281 339 L C -0.376 176.424 176.870 -0.115 0.000 1.005 339 L CA -0.692 54.053 54.840 -0.158 0.000 0.828 339 L CB 1.607 43.225 42.059 -0.734 0.000 1.227 339 L HN 0.741 nan 8.230 nan 0.000 0.415 340 A N 2.171 125.164 122.820 0.288 0.000 2.386 340 A HA 0.528 4.848 4.320 -0.000 0.000 0.311 340 A C -0.072 177.878 177.584 0.609 0.000 1.068 340 A CA -0.753 51.551 52.037 0.444 0.000 0.743 340 A CB 1.114 20.342 19.000 0.380 0.000 1.258 340 A HN 0.753 nan 8.150 nan 0.000 0.429 341 N N 1.670 120.670 118.700 0.500 0.000 2.843 341 N HA 0.120 4.860 4.740 -0.000 0.000 0.284 341 N C -0.401 175.063 175.510 -0.077 0.000 1.274 341 N CA 0.041 53.061 53.050 -0.049 0.000 1.045 341 N CB -0.007 38.465 38.487 -0.025 0.000 1.370 341 N HN 0.635 nan 8.380 nan 0.000 0.525 342 K N 0.033 120.500 120.400 0.113 0.000 2.572 342 K HA 0.173 4.493 4.320 -0.000 0.000 0.263 342 K C -1.780 174.999 176.600 0.299 0.000 0.932 342 K CA -0.675 55.709 56.287 0.163 0.000 0.838 342 K CB 1.105 33.702 32.500 0.162 0.000 1.366 342 K HN -0.036 nan 8.250 nan 0.000 0.425 343 N N 4.002 122.846 118.700 0.239 0.000 2.719 343 N HA 0.118 4.858 4.740 -0.000 0.000 0.243 343 N C -1.384 174.254 175.510 0.213 0.000 1.104 343 N CA -0.149 53.032 53.050 0.218 0.000 0.981 343 N CB -0.100 38.479 38.487 0.154 0.000 1.290 343 N HN 0.454 nan 8.380 nan 0.000 0.513 344 Y N 1.407 121.752 120.300 0.075 0.000 2.403 344 Y HA 0.705 5.255 4.550 -0.000 0.000 0.323 344 Y C -2.389 173.530 175.900 0.033 0.000 1.226 344 Y CA -3.469 54.658 58.100 0.045 0.000 1.235 344 Y CB -0.874 37.606 38.460 0.033 0.000 1.248 344 Y HN 0.249 nan 8.280 nan 0.000 0.489 345 P HA -0.086 nan 4.420 nan 0.000 0.261 345 P C 0.266 177.443 177.300 -0.205 0.000 1.158 345 P CA 0.544 63.599 63.100 -0.075 0.000 0.758 345 P CB 0.645 32.349 31.700 0.007 0.000 0.763 346 N N 4.956 123.541 118.700 -0.192 0.000 2.060 346 N HA -0.160 4.580 4.740 -0.000 0.000 0.195 346 N C -0.827 174.558 175.510 -0.208 0.000 1.028 346 N CA 1.916 54.828 53.050 -0.228 0.000 0.861 346 N CB -1.870 36.517 38.487 -0.167 0.000 1.029 346 N HN 0.447 nan 8.380 nan 0.000 0.428 347 P HA -0.125 nan 4.420 nan 0.000 0.216 347 P C 1.131 178.398 177.300 -0.055 0.000 1.154 347 P CA 1.896 64.942 63.100 -0.089 0.000 0.865 347 P CB -0.121 31.546 31.700 -0.056 0.000 0.789 348 A N -0.336 122.479 122.820 -0.009 0.000 1.972 348 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 348 A C 2.185 179.836 177.584 0.112 0.000 1.169 348 A CA 1.523 53.614 52.037 0.089 0.000 0.635 348 A CB -0.944 18.188 19.000 0.220 0.000 0.810 348 A HN 0.128 nan 8.150 nan 0.000 0.446 349 R N -0.680 119.813 120.500 -0.013 0.000 2.062 349 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 349 R C 2.016 178.240 176.300 -0.127 0.000 1.136 349 R CA 1.450 57.527 56.100 -0.039 0.000 0.948 349 R CB -0.789 29.340 30.300 -0.285 0.000 0.845 349 R HN 0.341 nan 8.270 nan 0.000 0.430 350 V N 2.010 121.729 119.914 -0.325 0.000 2.343 350 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 350 V C 2.140 178.315 176.094 0.135 0.000 1.051 350 V CA 2.108 64.304 62.300 -0.174 0.000 1.036 350 V CB -0.590 31.143 31.823 -0.151 0.000 0.654 350 V HN 0.338 nan 8.190 nan 0.000 0.451 351 D N 0.588 121.035 120.400 0.077 0.000 2.092 351 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 351 D C 2.187 178.630 176.300 0.238 0.000 0.994 351 D CA 1.992 56.078 54.000 0.143 0.000 0.828 351 D CB -0.179 40.666 40.800 0.075 0.000 0.963 351 D HN 0.358 nan 8.370 nan 0.000 0.450 352 A N 0.699 123.629 122.820 0.183 0.000 1.908 352 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 352 A C 2.422 180.151 177.584 0.241 0.000 1.181 352 A CA 2.735 54.877 52.037 0.175 0.000 0.627 352 A CB -0.949 18.132 19.000 0.135 0.000 0.818 352 A HN 0.355 nan 8.150 nan 0.000 0.445 353 A N -1.238 121.793 122.820 0.352 0.000 1.930 353 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 353 A C 2.092 179.993 177.584 0.529 0.000 1.175 353 A CA 1.315 53.632 52.037 0.467 0.000 0.627 353 A CB -0.863 18.579 19.000 0.736 0.000 0.815 353 A HN 0.908 nan 8.150 nan 0.000 0.443 354 W N 0.772 122.311 121.300 0.398 0.000 2.358 354 W HA -0.182 4.477 4.660 -0.000 0.000 0.303 354 W C 1.707 178.366 176.519 0.234 0.000 1.208 354 W CA 1.925 59.469 57.345 0.332 0.000 1.274 354 W CB -0.294 29.221 29.460 0.091 0.000 1.138 354 W HN 0.377 nan 8.180 nan 0.000 0.515 355 Q N 0.909 120.786 119.800 0.128 0.000 2.061 355 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 355 Q C 2.319 178.268 176.000 -0.085 0.000 0.984 355 Q CA 2.212 58.001 55.803 -0.024 0.000 0.846 355 Q CB -1.004 27.783 28.738 0.082 0.000 0.902 355 Q HN 0.484 nan 8.270 nan 0.000 0.421 356 I N 0.424 121.000 120.570 0.010 0.000 2.113 356 I HA -0.280 3.890 4.170 -0.000 0.000 0.238 356 I C 2.337 178.437 176.117 -0.028 0.000 1.070 356 I CA 1.017 62.312 61.300 -0.008 0.000 1.332 356 I CB -0.375 37.643 38.000 0.031 0.000 1.044 356 I HN 0.118 nan 8.210 nan 0.000 0.402 357 L N 0.276 121.516 121.223 0.028 0.000 2.191 357 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 357 L C 2.304 179.128 176.870 -0.076 0.000 1.103 357 L CA 1.253 56.102 54.840 0.016 0.000 0.769 357 L CB -0.782 41.347 42.059 0.117 0.000 0.908 357 L HN 0.423 nan 8.230 nan 0.000 0.438 358 N N 0.304 118.838 118.700 -0.277 0.000 2.270 358 N HA -0.110 4.629 4.740 -0.000 0.000 0.181 358 N C 1.810 177.217 175.510 -0.172 0.000 1.016 358 N CA 0.929 53.751 53.050 -0.379 0.000 0.870 358 N CB 0.216 38.080 38.487 -1.038 0.000 0.979 358 N HN 0.291 nan 8.380 nan 0.000 0.431 359 A N 0.636 123.369 122.820 -0.144 0.000 2.119 359 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 359 A C 1.764 179.321 177.584 -0.044 0.000 1.153 359 A CA 0.553 52.544 52.037 -0.077 0.000 0.692 359 A CB -0.134 18.821 19.000 -0.074 0.000 0.799 359 A HN 0.287 nan 8.150 nan 0.000 0.458 360 L N -1.442 119.764 121.223 -0.028 0.000 2.667 360 L HA 0.404 4.744 4.340 -0.000 0.000 0.232 360 L C 0.933 177.870 176.870 0.111 0.000 1.138 360 L CA 0.452 55.315 54.840 0.037 0.000 0.921 360 L CB -0.371 41.711 42.059 0.039 0.000 1.180 360 L HN 0.642 nan 8.230 nan 0.000 0.487 361 Q N 0.000 119.840 119.800 0.067 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.858 55.803 0.091 0.000 1.022 361 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481