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 1pxp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRXXXX TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.211 55.300 -0.148 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 E N 0.513 120.694 120.200 -0.032 0.000 2.418 2 E HA 0.048 4.397 4.350 -0.001 0.000 0.197 2 E C 0.340 176.872 176.600 -0.113 0.000 1.026 2 E CA 0.763 57.132 56.400 -0.053 0.000 0.862 2 E CB -0.148 29.520 29.700 -0.053 0.000 0.799 2 E HN 0.458 nan 8.360 nan 0.000 0.518 3 N N 0.254 118.832 118.700 -0.204 0.000 2.313 3 N HA 0.108 4.848 4.740 -0.001 0.000 0.207 3 N C -0.927 174.051 175.510 -0.886 0.000 1.141 3 N CA 0.314 53.053 53.050 -0.518 0.000 0.830 3 N CB 0.252 38.342 38.487 -0.661 0.000 1.008 3 N HN 0.080 nan 8.380 nan 0.000 0.481 4 F N 0.306 120.195 119.950 -0.101 0.000 2.608 4 F HA 0.258 4.784 4.527 -0.001 0.000 0.309 4 F C -0.421 175.324 175.800 -0.093 0.000 1.103 4 F CA -1.214 56.730 58.000 -0.094 0.000 0.954 4 F CB 1.523 40.459 39.000 -0.106 0.000 1.267 4 F HN -0.151 nan 8.300 nan 0.000 0.444 5 Q N 2.033 121.891 119.800 0.095 0.000 2.357 5 Q HA 0.486 4.825 4.340 -0.001 0.000 0.266 5 Q C -1.360 174.642 176.000 0.003 0.000 1.021 5 Q CA -1.102 54.711 55.803 0.017 0.000 0.784 5 Q CB 1.974 30.704 28.738 -0.012 0.000 1.243 5 Q HN 0.537 nan 8.270 nan 0.000 0.465 6 K N 1.849 122.219 120.400 -0.049 0.000 2.412 6 K HA 0.010 4.330 4.320 -0.001 0.000 0.284 6 K C 0.406 176.974 176.600 -0.053 0.000 1.046 6 K CA -0.084 56.147 56.287 -0.092 0.000 0.999 6 K CB 1.493 33.808 32.500 -0.308 0.000 0.941 6 K HN 0.553 nan 8.250 nan 0.000 0.474 7 V N 2.945 122.850 119.914 -0.015 0.000 2.795 7 V HA -0.016 4.103 4.120 -0.001 0.000 0.243 7 V C -0.084 176.031 176.094 0.034 0.000 1.069 7 V CA 1.239 63.534 62.300 -0.009 0.000 1.089 7 V CB -0.040 31.758 31.823 -0.042 0.000 0.756 7 V HN 0.972 nan 8.190 nan 0.000 0.471 8 E N -0.190 120.068 120.200 0.096 0.000 2.388 8 E HA 0.268 4.617 4.350 -0.001 0.000 0.280 8 E C -1.187 175.588 176.600 0.291 0.000 1.019 8 E CA -0.845 55.648 56.400 0.156 0.000 0.806 8 E CB 1.137 30.890 29.700 0.088 0.000 1.246 8 E HN 0.102 nan 8.360 nan 0.000 0.443 9 K N 2.298 122.861 120.400 0.271 0.000 2.315 9 K HA 0.135 4.454 4.320 -0.001 0.000 0.291 9 K C 0.058 176.651 176.600 -0.011 0.000 1.074 9 K CA -0.188 56.138 56.287 0.066 0.000 0.936 9 K CB 0.323 32.840 32.500 0.029 0.000 1.049 9 K HN 0.562 nan 8.250 nan 0.000 0.471 10 I N 3.088 123.635 120.570 -0.038 0.000 3.251 10 I HA 0.142 4.311 4.170 -0.001 0.000 0.277 10 I C 0.697 176.787 176.117 -0.044 0.000 1.268 10 I CA 0.698 62.007 61.300 0.016 0.000 1.449 10 I CB 0.390 38.457 38.000 0.111 0.000 1.083 10 I HN 0.868 nan 8.210 nan 0.000 0.464 11 G N -0.283 108.440 108.800 -0.128 0.000 2.320 11 G HA2 0.260 4.219 3.960 -0.001 0.000 0.297 11 G HA3 0.260 4.219 3.960 -0.001 0.000 0.297 11 G C -1.357 173.442 174.900 -0.169 0.000 1.344 11 G CA -0.814 44.214 45.100 -0.120 0.000 0.851 11 G HN 0.020 nan 8.290 nan 0.000 0.567 12 E N 0.098 120.222 120.200 -0.126 0.000 2.460 12 E HA 0.480 4.829 4.350 -0.001 0.000 0.249 12 E C 0.678 177.216 176.600 -0.103 0.000 0.962 12 E CA -0.501 55.827 56.400 -0.119 0.000 0.787 12 E CB 1.617 31.259 29.700 -0.096 0.000 1.341 12 E HN 0.778 nan 8.360 nan 0.000 0.407 13 G N 1.020 109.763 108.800 -0.096 0.000 2.468 13 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.264 13 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.264 13 G C 0.818 175.629 174.900 -0.148 0.000 1.460 13 G CA 0.063 45.100 45.100 -0.105 0.000 1.060 13 G HN 0.339 nan 8.290 nan 0.000 0.543 14 T N -0.847 113.559 114.554 -0.246 0.000 2.939 14 T HA 0.001 4.350 4.350 -0.001 0.000 0.254 14 T C 2.062 176.528 174.700 -0.391 0.000 1.041 14 T CA 1.220 63.088 62.100 -0.387 0.000 1.142 14 T CB -0.239 68.246 68.868 -0.638 0.000 0.874 14 T HN 0.384 nan 8.240 nan 0.000 0.452 15 Y N 1.408 121.678 120.300 -0.049 0.000 2.475 15 Y HA 0.457 5.007 4.550 -0.001 0.000 0.289 15 Y C 1.544 177.349 175.900 -0.159 0.000 1.121 15 Y CA -0.184 57.849 58.100 -0.111 0.000 1.257 15 Y CB -0.000 38.431 38.460 -0.048 0.000 1.026 15 Y HN 0.323 nan 8.280 nan 0.000 0.555 16 G N -1.370 107.426 108.800 -0.006 0.000 2.342 16 G HA2 0.395 4.354 3.960 -0.001 0.000 0.297 16 G HA3 0.395 4.354 3.960 -0.001 0.000 0.297 16 G C -1.840 173.025 174.900 -0.058 0.000 1.313 16 G CA -0.923 44.138 45.100 -0.065 0.000 0.830 16 G HN -0.208 nan 8.290 nan 0.000 0.506 17 V N -0.319 119.551 119.914 -0.073 0.000 2.732 17 V HA 0.538 4.657 4.120 -0.001 0.000 0.297 17 V C 0.307 176.300 176.094 -0.169 0.000 1.060 17 V CA -0.422 61.786 62.300 -0.153 0.000 1.038 17 V CB 1.435 33.141 31.823 -0.195 0.000 1.003 17 V HN 0.614 nan 8.190 nan 0.000 0.481 18 V N 4.079 123.830 119.914 -0.271 0.000 2.495 18 V HA 0.520 4.639 4.120 -0.001 0.000 0.298 18 V C -1.044 174.870 176.094 -0.300 0.000 1.031 18 V CA -0.696 61.514 62.300 -0.149 0.000 0.871 18 V CB 1.386 33.176 31.823 -0.056 0.000 0.988 18 V HN 0.714 nan 8.190 nan 0.000 0.432 19 Y N 1.962 122.304 120.300 0.071 0.000 2.499 19 Y HA 0.493 5.042 4.550 -0.001 0.000 0.347 19 Y C 0.198 176.124 175.900 0.043 0.000 0.987 19 Y CA -1.046 57.084 58.100 0.051 0.000 1.044 19 Y CB 1.962 40.445 38.460 0.038 0.000 1.245 19 Y HN 0.506 nan 8.280 nan 0.000 0.461 20 K N 2.158 122.665 120.400 0.178 0.000 2.276 20 K HA 0.770 5.090 4.320 -0.001 0.000 0.285 20 K C -1.045 175.533 176.600 -0.037 0.000 1.062 20 K CA -0.142 56.117 56.287 -0.046 0.000 0.918 20 K CB 0.323 32.690 32.500 -0.223 0.000 1.055 20 K HN 0.798 nan 8.250 nan 0.000 0.477 21 A N 4.326 127.118 122.820 -0.047 0.000 2.430 21 A HA 0.562 4.882 4.320 -0.001 0.000 0.300 21 A C -1.226 176.380 177.584 0.036 0.000 1.124 21 A CA -0.926 51.124 52.037 0.021 0.000 0.766 21 A CB 1.420 20.468 19.000 0.078 0.000 1.328 21 A HN 0.820 nan 8.150 nan 0.000 0.424 22 R N 1.720 122.264 120.500 0.073 0.000 2.337 22 R HA 0.184 4.524 4.340 -0.001 0.000 0.319 22 R C -0.854 175.476 176.300 0.050 0.000 0.954 22 R CA -0.599 55.527 56.100 0.043 0.000 0.840 22 R CB 0.632 30.924 30.300 -0.013 0.000 1.164 22 R HN 0.823 nan 8.270 nan 0.000 0.472 23 N N 4.114 122.835 118.700 0.036 0.000 2.412 23 N HA -0.060 4.679 4.740 -0.001 0.000 0.279 23 N C 0.159 175.557 175.510 -0.187 0.000 1.287 23 N CA 0.564 53.494 53.050 -0.200 0.000 0.948 23 N CB 0.795 39.189 38.487 -0.155 0.000 1.255 23 N HN 0.623 nan 8.380 nan 0.000 0.485 24 K N 2.945 123.210 120.400 -0.225 0.000 2.362 24 K HA -0.126 4.194 4.320 -0.001 0.000 0.202 24 K C 1.218 177.734 176.600 -0.140 0.000 1.045 24 K CA 1.035 57.231 56.287 -0.152 0.000 0.936 24 K CB 0.298 32.709 32.500 -0.148 0.000 0.747 24 K HN 0.526 nan 8.250 nan 0.000 0.467 25 L N -0.774 120.341 121.223 -0.180 0.000 2.327 25 L HA -0.010 4.329 4.340 -0.001 0.000 0.192 25 L C 2.228 179.041 176.870 -0.097 0.000 1.158 25 L CA 0.685 55.445 54.840 -0.134 0.000 0.813 25 L CB -0.792 41.174 42.059 -0.156 0.000 1.021 25 L HN -0.060 nan 8.230 nan 0.000 0.481 26 T N -0.016 114.478 114.554 -0.100 0.000 2.849 26 T HA -0.076 4.273 4.350 -0.001 0.000 0.270 26 T C 1.394 176.072 174.700 -0.037 0.000 1.066 26 T CA 1.431 63.498 62.100 -0.055 0.000 1.130 26 T CB -0.403 68.442 68.868 -0.038 0.000 0.864 26 T HN 0.700 nan 8.240 nan 0.000 0.481 27 G N 1.344 110.117 108.800 -0.045 0.000 2.159 27 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.256 27 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.256 27 G C -0.015 174.884 174.900 -0.003 0.000 0.977 27 G CA 0.371 45.456 45.100 -0.026 0.000 0.652 27 G HN 0.610 nan 8.290 nan 0.000 0.531 28 E N 0.441 120.647 120.200 0.010 0.000 2.313 28 E HA 0.567 4.916 4.350 -0.001 0.000 0.272 28 E C 0.635 177.265 176.600 0.050 0.000 1.038 28 E CA -0.082 56.342 56.400 0.040 0.000 0.863 28 E CB 1.475 31.208 29.700 0.055 0.000 1.060 28 E HN 1.072 nan 8.360 nan 0.000 0.402 29 V N 2.979 122.922 119.914 0.048 0.000 2.472 29 V HA 0.814 4.934 4.120 -0.001 0.000 0.290 29 V C -0.040 176.092 176.094 0.063 0.000 1.037 29 V CA -0.360 61.939 62.300 -0.001 0.000 0.908 29 V CB 0.874 32.628 31.823 -0.115 0.000 0.985 29 V HN 0.615 nan 8.190 nan 0.000 0.454 30 V N 1.198 121.149 119.914 0.062 0.000 3.167 30 V HA 1.035 5.155 4.120 -0.001 0.000 0.310 30 V C 0.080 176.272 176.094 0.164 0.000 1.207 30 V CA -0.616 61.789 62.300 0.174 0.000 1.059 30 V CB 1.521 33.450 31.823 0.176 0.000 1.079 30 V HN 1.713 nan 8.190 nan 0.000 0.446 31 A N 1.849 124.848 122.820 0.298 0.000 2.249 31 A HA 0.773 5.092 4.320 -0.001 0.000 0.314 31 A C -0.633 177.083 177.584 0.219 0.000 1.290 31 A CA -0.511 51.709 52.037 0.305 0.000 0.893 31 A CB 0.526 19.745 19.000 0.364 0.000 1.165 31 A HN 1.056 nan 8.150 nan 0.000 0.530 32 L N 2.810 124.115 121.223 0.136 0.000 2.309 32 L HA 0.524 4.863 4.340 -0.001 0.000 0.282 32 L C -0.586 176.393 176.870 0.182 0.000 1.036 32 L CA -0.405 54.469 54.840 0.058 0.000 0.806 32 L CB 1.370 43.364 42.059 -0.108 0.000 1.220 32 L HN 0.717 nan 8.230 nan 0.000 0.429 33 K N 5.466 125.978 120.400 0.187 0.000 2.463 33 K HA 0.363 4.682 4.320 -0.001 0.000 0.255 33 K C -1.215 175.463 176.600 0.131 0.000 0.942 33 K CA -0.787 55.617 56.287 0.195 0.000 0.814 33 K CB 2.216 34.879 32.500 0.271 0.000 1.122 33 K HN 0.461 nan 8.250 nan 0.000 0.425 34 K N 3.758 124.199 120.400 0.068 0.000 2.235 34 K HA 0.470 4.790 4.320 -0.001 0.000 0.266 34 K C -0.591 175.889 176.600 -0.200 0.000 0.980 34 K CA -0.574 55.594 56.287 -0.198 0.000 0.849 34 K CB 1.048 33.451 32.500 -0.162 0.000 1.098 34 K HN 0.450 nan 8.250 nan 0.000 0.445 35 I N 3.153 123.558 120.570 -0.277 0.000 2.362 35 I HA 0.290 4.459 4.170 -0.001 0.000 0.289 35 I C 0.256 176.188 176.117 -0.309 0.000 0.994 35 I CA -1.156 60.001 61.300 -0.237 0.000 1.158 35 I CB 1.457 39.347 38.000 -0.183 0.000 1.315 35 I HN 0.487 nan 8.210 nan 0.000 0.451 42 E N 0.997 121.201 120.200 0.006 0.000 2.371 42 E HA 0.370 4.719 4.350 -0.001 0.000 0.194 42 E C 1.663 178.286 176.600 0.038 0.000 1.012 42 E CA 0.455 56.867 56.400 0.021 0.000 0.860 42 E CB 0.119 29.831 29.700 0.021 0.000 0.811 42 E HN 0.954 nan 8.360 nan 0.000 0.502 43 G N 0.328 109.159 108.800 0.052 0.000 2.321 43 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.174 43 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.174 43 G C 0.020 174.996 174.900 0.126 0.000 1.008 43 G CA -0.466 44.694 45.100 0.100 0.000 0.739 43 G HN 0.120 nan 8.290 nan 0.000 0.502 44 V N 0.299 120.248 119.914 0.058 0.000 3.565 44 V HA -0.117 4.003 4.120 -0.001 0.000 0.508 44 V C -1.251 174.874 176.094 0.051 0.000 0.682 44 V CA 0.104 62.418 62.300 0.023 0.000 2.059 44 V CB -0.647 31.091 31.823 -0.140 0.000 2.484 44 V HN 0.684 nan 8.190 nan 0.000 0.510 45 P HA 0.164 nan 4.420 nan 0.000 0.268 45 P C 0.998 178.305 177.300 0.012 0.000 1.204 45 P CA 0.537 63.670 63.100 0.056 0.000 0.768 45 P CB 1.205 32.952 31.700 0.078 0.000 0.842 46 S N 2.069 117.779 115.700 0.017 0.000 2.368 46 S HA -0.189 4.280 4.470 -0.001 0.000 0.225 46 S C 1.863 176.446 174.600 -0.029 0.000 1.030 46 S CA 1.866 60.071 58.200 0.008 0.000 0.999 46 S CB -1.940 61.272 63.200 0.021 0.000 0.844 46 S HN 0.652 nan 8.310 nan 0.000 0.459 47 T N 0.973 115.504 114.554 -0.039 0.000 2.720 47 T HA -0.043 4.306 4.350 -0.001 0.000 0.268 47 T C 2.002 176.624 174.700 -0.130 0.000 1.037 47 T CA 1.486 63.546 62.100 -0.067 0.000 1.144 47 T CB -1.121 67.712 68.868 -0.059 0.000 0.864 47 T HN 0.611 nan 8.240 nan 0.000 0.444 48 A N 2.247 124.952 122.820 -0.192 0.000 1.865 48 A HA 0.034 4.353 4.320 -0.001 0.000 0.217 48 A C 2.480 179.908 177.584 -0.260 0.000 1.191 48 A CA 1.627 53.440 52.037 -0.373 0.000 0.623 48 A CB -0.825 17.829 19.000 -0.576 0.000 0.826 48 A HN 0.483 nan 8.150 nan 0.000 0.444 49 I N -0.079 120.395 120.570 -0.161 0.000 2.118 49 I HA -0.290 3.880 4.170 -0.001 0.000 0.241 49 I C 2.611 178.682 176.117 -0.076 0.000 1.070 49 I CA 2.007 63.244 61.300 -0.104 0.000 1.327 49 I CB -1.457 36.516 38.000 -0.045 0.000 1.034 49 I HN 0.373 nan 8.210 nan 0.000 0.405 50 R N 0.235 120.698 120.500 -0.062 0.000 2.105 50 R HA -0.160 4.180 4.340 -0.001 0.000 0.239 50 R C 2.181 178.447 176.300 -0.057 0.000 1.135 50 R CA 1.054 57.128 56.100 -0.044 0.000 0.967 50 R CB -0.174 30.106 30.300 -0.033 0.000 0.861 50 R HN 0.419 nan 8.270 nan 0.000 0.442 51 E N 0.773 120.917 120.200 -0.092 0.000 2.028 51 E HA -0.124 4.226 4.350 -0.001 0.000 0.191 51 E C 2.118 178.666 176.600 -0.087 0.000 0.988 51 E CA 1.064 57.407 56.400 -0.094 0.000 0.799 51 E CB -0.152 29.464 29.700 -0.141 0.000 0.755 51 E HN 0.359 nan 8.360 nan 0.000 0.447 52 I N 1.191 121.685 120.570 -0.126 0.000 2.286 52 I HA -0.245 3.925 4.170 -0.001 0.000 0.248 52 I C 2.318 178.405 176.117 -0.050 0.000 1.115 52 I CA 0.813 62.055 61.300 -0.096 0.000 1.392 52 I CB -0.205 37.718 38.000 -0.128 0.000 1.065 52 I HN -0.042 nan 8.210 nan 0.000 0.418 53 S N 0.926 116.599 115.700 -0.045 0.000 2.382 53 S HA -0.106 4.364 4.470 -0.001 0.000 0.228 53 S C 1.979 176.574 174.600 -0.008 0.000 1.027 53 S CA 1.157 59.343 58.200 -0.023 0.000 0.991 53 S CB -0.317 62.874 63.200 -0.014 0.000 0.823 53 S HN 0.355 nan 8.310 nan 0.000 0.469 54 L N 1.138 122.357 121.223 -0.007 0.000 2.127 54 L HA -0.108 4.231 4.340 -0.001 0.000 0.211 54 L C 2.040 178.925 176.870 0.025 0.000 1.089 54 L CA 0.941 55.787 54.840 0.010 0.000 0.757 54 L CB -0.722 41.342 42.059 0.008 0.000 0.899 54 L HN 0.295 nan 8.230 nan 0.000 0.434 55 L N -0.276 120.960 121.223 0.023 0.000 2.261 55 L HA -0.206 4.134 4.340 -0.001 0.000 0.216 55 L C 2.435 179.333 176.870 0.047 0.000 1.114 55 L CA 1.086 55.954 54.840 0.047 0.000 0.777 55 L CB -0.553 41.547 42.059 0.067 0.000 0.910 55 L HN 0.251 nan 8.230 nan 0.000 0.440 56 K N -0.167 120.246 120.400 0.023 0.000 2.362 56 K HA -0.162 4.157 4.320 -0.001 0.000 0.200 56 K C 1.722 178.340 176.600 0.031 0.000 1.046 56 K CA 0.875 57.171 56.287 0.016 0.000 0.952 56 K CB 0.098 32.597 32.500 -0.001 0.000 0.753 56 K HN 0.200 nan 8.250 nan 0.000 0.466 57 E N 0.419 120.645 120.200 0.043 0.000 2.216 57 E HA -0.021 4.328 4.350 -0.001 0.000 0.192 57 E C 0.080 176.730 176.600 0.083 0.000 0.973 57 E CA 0.235 56.671 56.400 0.059 0.000 0.851 57 E CB 0.012 29.751 29.700 0.065 0.000 0.804 57 E HN 0.180 nan 8.360 nan 0.000 0.477 58 L N 1.080 122.354 121.223 0.085 0.000 2.536 58 L HA 0.345 4.685 4.340 -0.001 0.000 0.282 58 L C -0.882 176.031 176.870 0.073 0.000 1.174 58 L CA -0.285 54.636 54.840 0.135 0.000 0.989 58 L CB -0.301 41.809 42.059 0.083 0.000 1.311 58 L HN -0.234 nan 8.230 nan 0.000 0.455 59 N N 1.953 120.653 118.700 0.000 0.000 2.399 59 N HA 0.657 5.396 4.740 -0.001 0.000 0.295 59 N C -1.066 174.206 175.510 -0.397 0.000 1.048 59 N CA -0.609 52.366 53.050 -0.125 0.000 0.886 59 N CB 1.216 39.662 38.487 -0.068 0.000 1.185 59 N HN 0.760 nan 8.380 nan 0.000 0.487 60 H N 0.594 119.359 119.070 -0.508 0.000 3.046 60 H HA 0.335 4.891 4.556 -0.000 0.000 0.363 60 H C -2.283 172.841 175.328 -0.340 0.000 1.203 60 H CA -1.558 54.096 56.048 -0.656 0.000 1.169 60 H CB 1.894 31.035 29.762 -1.035 0.000 1.851 60 H HN 0.325 nan 8.280 nan 0.000 0.546 61 P HA -0.075 nan 4.420 nan 0.000 0.218 61 P C -0.279 176.906 177.300 -0.192 0.000 1.146 61 P CA 1.446 64.300 63.100 -0.409 0.000 0.813 61 P CB 0.200 31.619 31.700 -0.469 0.000 0.778 62 N N -1.375 117.318 118.700 -0.012 0.000 2.273 62 N HA 0.233 4.972 4.740 -0.001 0.000 0.231 62 N C -0.257 175.298 175.510 0.075 0.000 1.134 62 N CA -0.064 53.036 53.050 0.083 0.000 0.856 62 N CB 0.294 38.856 38.487 0.126 0.000 1.068 62 N HN 0.117 nan 8.380 nan 0.000 0.510 63 I N 0.798 121.393 120.570 0.042 0.000 2.466 63 I HA 0.240 4.409 4.170 -0.001 0.000 0.289 63 I C -0.289 175.847 176.117 0.031 0.000 1.026 63 I CA -1.142 60.181 61.300 0.038 0.000 1.078 63 I CB 2.378 40.366 38.000 -0.019 0.000 1.249 63 I HN -0.227 nan 8.210 nan 0.000 0.429 64 V N 6.691 126.633 119.914 0.046 0.000 2.434 64 V HA -0.050 4.069 4.120 -0.001 0.000 0.281 64 V C 0.766 176.957 176.094 0.161 0.000 1.005 64 V CA 0.065 62.393 62.300 0.046 0.000 1.089 64 V CB 0.142 31.932 31.823 -0.055 0.000 0.978 64 V HN 0.654 nan 8.190 nan 0.000 0.474 65 K N 4.664 125.150 120.400 0.143 0.000 2.451 65 K HA 0.101 4.420 4.320 -0.001 0.000 0.280 65 K C -0.425 176.341 176.600 0.278 0.000 1.020 65 K CA -0.567 55.817 56.287 0.161 0.000 1.008 65 K CB 0.416 32.965 32.500 0.083 0.000 0.917 65 K HN 0.509 nan 8.250 nan 0.000 0.478 66 L N 7.350 128.692 121.223 0.199 0.000 2.270 66 L HA 0.083 4.422 4.340 -0.001 0.000 0.286 66 L C 0.564 177.393 176.870 -0.068 0.000 1.059 66 L CA -0.133 54.683 54.840 -0.039 0.000 0.839 66 L CB 0.615 42.621 42.059 -0.090 0.000 1.221 66 L HN 0.760 nan 8.230 nan 0.000 0.431 67 L N 2.733 123.914 121.223 -0.071 0.000 1.988 67 L HA 0.119 4.458 4.340 -0.001 0.000 0.207 67 L C 0.352 177.197 176.870 -0.041 0.000 1.071 67 L CA 1.274 56.101 54.840 -0.022 0.000 0.744 67 L CB -0.832 41.241 42.059 0.024 0.000 0.893 67 L HN 0.601 nan 8.230 nan 0.000 0.433 68 D N -1.834 118.518 120.400 -0.080 0.000 2.661 68 D HA 0.365 5.004 4.640 -0.001 0.000 0.228 68 D C -1.049 175.197 176.300 -0.090 0.000 1.210 68 D CA -0.258 53.712 54.000 -0.049 0.000 0.826 68 D CB 3.525 44.338 40.800 0.022 0.000 1.542 68 D HN -0.320 nan 8.370 nan 0.000 0.447 69 V N 2.179 122.066 119.914 -0.044 0.000 2.334 69 V HA 0.403 4.523 4.120 -0.001 0.000 0.281 69 V C 0.087 176.212 176.094 0.052 0.000 1.016 69 V CA -0.551 61.733 62.300 -0.026 0.000 0.832 69 V CB 1.203 33.008 31.823 -0.031 0.000 0.999 69 V HN 0.363 nan 8.190 nan 0.000 0.439 70 I N 4.771 125.402 120.570 0.102 0.000 2.339 70 I HA 0.401 4.571 4.170 -0.001 0.000 0.290 70 I C -0.049 176.232 176.117 0.273 0.000 0.994 70 I CA -0.350 61.053 61.300 0.170 0.000 1.191 70 I CB 1.008 39.102 38.000 0.158 0.000 1.343 70 I HN 0.666 nan 8.210 nan 0.000 0.458 71 H N 5.724 124.860 119.070 0.110 0.000 2.736 71 H HA 0.427 4.983 4.556 -0.001 0.000 0.271 71 H C -1.190 174.197 175.328 0.098 0.000 1.184 71 H CA -0.364 55.744 56.048 0.100 0.000 1.378 71 H CB 0.768 30.564 29.762 0.058 0.000 1.428 71 H HN 0.549 nan 8.280 nan 0.000 0.500 72 T N 3.020 117.702 114.554 0.212 0.000 2.887 72 T HA 0.063 4.412 4.350 -0.001 0.000 0.288 72 T C 0.267 175.022 174.700 0.091 0.000 1.021 72 T CA -0.756 61.389 62.100 0.076 0.000 1.000 72 T CB 1.690 70.619 68.868 0.103 0.000 1.034 72 T HN 0.814 nan 8.240 nan 0.000 0.467 73 E N 1.708 121.916 120.200 0.013 0.000 2.539 73 E HA -0.300 4.050 4.350 -0.001 0.000 0.253 73 E C -0.353 176.279 176.600 0.053 0.000 1.145 73 E CA 0.743 57.161 56.400 0.031 0.000 0.738 73 E CB -1.321 28.419 29.700 0.066 0.000 1.308 73 E HN 0.803 nan 8.360 nan 0.000 0.409 74 N N -0.756 117.955 118.700 0.019 0.000 2.747 74 N HA -0.185 4.555 4.740 -0.001 0.000 0.249 74 N C -1.267 174.428 175.510 0.309 0.000 1.107 74 N CA 1.791 54.975 53.050 0.223 0.000 0.707 74 N CB -0.286 38.284 38.487 0.139 0.000 1.054 74 N HN 0.294 nan 8.380 nan 0.000 0.555 75 K N 0.105 120.689 120.400 0.306 0.000 2.281 75 K HA 0.587 4.907 4.320 -0.001 0.000 0.242 75 K C 0.060 176.699 176.600 0.066 0.000 0.971 75 K CA -0.611 55.729 56.287 0.088 0.000 0.834 75 K CB 1.674 34.172 32.500 -0.004 0.000 1.181 75 K HN 0.063 nan 8.250 nan 0.000 0.435 76 L N 1.973 123.085 121.223 -0.185 0.000 2.307 76 L HA 0.421 4.761 4.340 -0.001 0.000 0.284 76 L C -1.220 175.458 176.870 -0.320 0.000 1.023 76 L CA -0.861 53.879 54.840 -0.167 0.000 0.810 76 L CB 0.769 42.750 42.059 -0.131 0.000 1.231 76 L HN 0.466 nan 8.230 nan 0.000 0.423 77 Y N 4.050 124.346 120.300 -0.006 0.000 2.329 77 Y HA 0.441 4.991 4.550 -0.001 0.000 0.328 77 Y C -0.475 175.371 175.900 -0.091 0.000 0.992 77 Y CA -0.496 57.578 58.100 -0.044 0.000 1.151 77 Y CB 1.740 40.162 38.460 -0.063 0.000 1.150 77 Y HN 0.312 nan 8.280 nan 0.000 0.450 78 L N 4.786 126.029 121.223 0.033 0.000 2.272 78 L HA 0.610 4.949 4.340 -0.001 0.000 0.289 78 L C -0.740 175.985 176.870 -0.241 0.000 1.032 78 L CA -1.082 53.654 54.840 -0.174 0.000 0.810 78 L CB 1.209 43.178 42.059 -0.150 0.000 1.205 78 L HN 0.303 nan 8.230 nan 0.000 0.422 79 V N 3.980 123.684 119.914 -0.350 0.000 2.347 79 V HA 0.402 4.521 4.120 -0.001 0.000 0.280 79 V C -0.262 175.657 176.094 -0.292 0.000 1.021 79 V CA -0.312 61.843 62.300 -0.242 0.000 0.847 79 V CB 0.928 32.654 31.823 -0.161 0.000 0.990 79 V HN 0.377 nan 8.190 nan 0.000 0.444 80 F N 1.632 121.609 119.950 0.045 0.000 2.523 80 F HA 0.448 4.974 4.527 -0.001 0.000 0.329 80 F C 0.669 176.525 175.800 0.092 0.000 1.061 80 F CA -0.951 57.088 58.000 0.065 0.000 0.967 80 F CB 1.246 40.284 39.000 0.064 0.000 1.218 80 F HN 0.500 nan 8.300 nan 0.000 0.480 81 E N 1.780 122.169 120.200 0.314 0.000 2.414 81 E HA 0.028 4.378 4.350 -0.001 0.000 0.263 81 E C -1.358 175.379 176.600 0.228 0.000 1.000 81 E CA -0.229 56.301 56.400 0.216 0.000 0.914 81 E CB 0.530 30.319 29.700 0.148 0.000 0.948 81 E HN 0.466 nan 8.360 nan 0.000 0.444 82 F N 4.823 124.815 119.950 0.070 0.000 2.394 82 F HA 0.382 4.908 4.527 -0.001 0.000 0.340 82 F C -1.196 174.605 175.800 0.001 0.000 1.105 82 F CA -0.579 57.434 58.000 0.021 0.000 1.124 82 F CB 0.593 39.587 39.000 -0.010 0.000 1.145 82 F HN 0.391 nan 8.300 nan 0.000 0.505 83 L N 5.492 126.149 121.223 -0.942 0.000 2.354 83 L HA 0.324 4.664 4.340 -0.001 0.000 0.269 83 L C 0.384 176.581 176.870 -1.122 0.000 1.005 83 L CA -0.460 53.969 54.840 -0.684 0.000 0.819 83 L CB 1.800 43.639 42.059 -0.366 0.000 1.311 83 L HN 0.619 nan 8.230 nan 0.000 0.423 84 H N -0.344 118.410 119.070 -0.526 0.000 2.529 84 H HA 0.172 4.727 4.556 -0.001 0.000 0.277 84 H C -0.080 175.131 175.328 -0.194 0.000 0.999 84 H CA 0.660 56.534 56.048 -0.290 0.000 1.256 84 H CB 0.345 30.074 29.762 -0.055 0.000 1.402 84 H HN 0.466 nan 8.280 nan 0.000 0.566 85 Q N 0.619 120.335 119.800 -0.139 0.000 2.426 85 Q HA 0.167 4.506 4.340 -0.001 0.000 0.278 85 Q C -1.676 174.251 176.000 -0.120 0.000 1.007 85 Q CA -1.023 54.730 55.803 -0.084 0.000 0.850 85 Q CB 1.813 30.540 28.738 -0.019 0.000 1.427 85 Q HN 0.255 nan 8.270 nan 0.000 0.391 86 D N 1.751 122.108 120.400 -0.072 0.000 2.332 86 D HA 0.108 4.748 4.640 -0.001 0.000 0.252 86 D C 0.634 176.926 176.300 -0.013 0.000 1.050 86 D CA -0.627 53.325 54.000 -0.080 0.000 0.970 86 D CB 0.954 41.709 40.800 -0.074 0.000 1.141 86 D HN 0.503 nan 8.370 nan 0.000 0.485 87 L N 0.409 121.613 121.223 -0.031 0.000 2.083 87 L HA -0.099 4.240 4.340 -0.001 0.000 0.209 87 L C 2.129 179.069 176.870 0.116 0.000 1.083 87 L CA 1.883 56.760 54.840 0.062 0.000 0.752 87 L CB -1.020 41.035 42.059 -0.007 0.000 0.899 87 L HN 0.566 nan 8.230 nan 0.000 0.433 88 K N -0.050 120.379 120.400 0.048 0.000 1.987 88 K HA -0.215 4.105 4.320 -0.001 0.000 0.216 88 K C 2.100 178.744 176.600 0.073 0.000 1.051 88 K CA 1.781 58.100 56.287 0.054 0.000 0.942 88 K CB -0.281 32.232 32.500 0.021 0.000 0.722 88 K HN 0.061 nan 8.250 nan 0.000 0.444 89 K N -0.089 120.356 120.400 0.074 0.000 2.032 89 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 89 K C 2.169 178.847 176.600 0.130 0.000 1.048 89 K CA 1.569 57.907 56.287 0.084 0.000 0.927 89 K CB -0.764 31.783 32.500 0.078 0.000 0.712 89 K HN 0.265 nan 8.250 nan 0.000 0.441 90 F N 1.804 121.766 119.950 0.019 0.000 2.120 90 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 90 F C 2.228 178.061 175.800 0.055 0.000 1.095 90 F CA 1.493 59.517 58.000 0.040 0.000 1.249 90 F CB -0.325 38.710 39.000 0.059 0.000 0.995 90 F HN -0.040 nan 8.300 nan 0.000 0.480 91 M N -0.208 119.370 119.600 -0.036 0.000 2.067 91 M HA -0.224 4.256 4.480 -0.001 0.000 0.260 91 M C 1.894 178.128 176.300 -0.109 0.000 1.069 91 M CA 1.929 57.155 55.300 -0.122 0.000 1.117 91 M CB -0.723 31.886 32.600 0.013 0.000 1.334 91 M HN 0.009 nan 8.290 nan 0.000 0.407 92 D N 0.729 121.109 120.400 -0.033 0.000 2.158 92 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 92 D C 1.868 178.141 176.300 -0.046 0.000 0.995 92 D CA 1.738 55.726 54.000 -0.020 0.000 0.846 92 D CB -0.218 40.589 40.800 0.012 0.000 0.941 92 D HN 0.382 nan 8.370 nan 0.000 0.456 93 A N 0.035 122.817 122.820 -0.062 0.000 2.119 93 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 93 A C 2.162 179.673 177.584 -0.122 0.000 1.153 93 A CA 0.909 52.910 52.037 -0.060 0.000 0.692 93 A CB 0.062 19.055 19.000 -0.010 0.000 0.799 93 A HN 0.098 nan 8.150 nan 0.000 0.458 94 S N -0.843 114.721 115.700 -0.226 0.000 2.540 94 S HA 0.364 4.834 4.470 -0.001 0.000 0.218 94 S C 1.972 176.491 174.600 -0.135 0.000 0.977 94 S CA 0.362 58.417 58.200 -0.241 0.000 0.918 94 S CB 0.160 63.089 63.200 -0.453 0.000 0.806 94 S HN 0.726 nan 8.310 nan 0.000 0.496 95 A N 2.667 125.428 122.820 -0.098 0.000 1.881 95 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 95 A C 1.962 179.517 177.584 -0.048 0.000 1.215 95 A CA 1.669 53.670 52.037 -0.060 0.000 0.648 95 A CB -1.012 17.965 19.000 -0.039 0.000 0.832 95 A HN 0.490 nan 8.150 nan 0.000 0.455 96 L N -0.856 120.343 121.223 -0.039 0.000 2.012 96 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 96 L C 3.020 179.872 176.870 -0.030 0.000 1.073 96 L CA 2.149 56.972 54.840 -0.028 0.000 0.748 96 L CB -1.040 41.008 42.059 -0.018 0.000 0.891 96 L HN 0.750 nan 8.230 nan 0.000 0.431 97 T N -3.352 111.181 114.554 -0.035 0.000 2.953 97 T HA 0.374 4.724 4.350 -0.001 0.000 0.247 97 T C 0.986 175.664 174.700 -0.038 0.000 1.029 97 T CA 0.418 62.500 62.100 -0.031 0.000 1.144 97 T CB 0.272 69.126 68.868 -0.024 0.000 0.870 97 T HN 0.492 nan 8.240 nan 0.000 0.446 98 G N 1.105 109.870 108.800 -0.059 0.000 2.697 98 G HA2 0.022 3.982 3.960 -0.001 0.000 0.686 98 G HA3 0.022 3.982 3.960 -0.001 0.000 0.686 98 G C -0.689 174.174 174.900 -0.061 0.000 1.179 98 G CA -0.688 44.376 45.100 -0.061 0.000 0.765 98 G HN 0.673 nan 8.290 nan 0.000 0.649 99 I N 2.470 123.003 120.570 -0.063 0.000 2.598 99 I HA 0.165 4.335 4.170 -0.001 0.000 0.284 99 I C -1.449 174.685 176.117 0.029 0.000 1.140 99 I CA -1.338 59.951 61.300 -0.018 0.000 1.420 99 I CB 0.690 38.723 38.000 0.054 0.000 1.387 99 I HN 0.241 nan 8.210 nan 0.000 0.553 100 P HA -0.064 nan 4.420 nan 0.000 0.266 100 P C 0.538 177.859 177.300 0.034 0.000 1.195 100 P CA -0.257 62.858 63.100 0.025 0.000 0.768 100 P CB 0.639 32.349 31.700 0.017 0.000 0.838 101 L N 6.778 128.026 121.223 0.043 0.000 2.042 101 L HA -0.088 4.251 4.340 -0.001 0.000 0.210 101 L C -0.926 175.965 176.870 0.036 0.000 1.076 101 L CA 2.445 57.330 54.840 0.075 0.000 0.749 101 L CB -1.942 40.166 42.059 0.082 0.000 0.893 101 L HN 0.404 nan 8.230 nan 0.000 0.432 102 P HA -0.178 nan 4.420 nan 0.000 0.218 102 P C 1.819 179.071 177.300 -0.081 0.000 1.148 102 P CA 1.150 64.216 63.100 -0.056 0.000 0.822 102 P CB -0.047 31.619 31.700 -0.057 0.000 0.784 103 L N -0.983 120.183 121.223 -0.096 0.000 2.095 103 L HA -0.037 4.303 4.340 -0.001 0.000 0.204 103 L C 2.142 178.856 176.870 -0.260 0.000 1.080 103 L CA 1.510 56.203 54.840 -0.247 0.000 0.759 103 L CB -1.136 40.785 42.059 -0.229 0.000 0.914 103 L HN -0.131 nan 8.230 nan 0.000 0.439 104 I N -0.286 120.269 120.570 -0.026 0.000 2.163 104 I HA -0.365 3.804 4.170 -0.001 0.000 0.243 104 I C 2.546 178.769 176.117 0.177 0.000 1.085 104 I CA 1.726 63.113 61.300 0.146 0.000 1.347 104 I CB -0.412 37.746 38.000 0.264 0.000 1.044 104 I HN 0.316 nan 8.210 nan 0.000 0.408 105 K N 0.360 120.844 120.400 0.140 0.000 2.097 105 K HA -0.198 4.121 4.320 -0.001 0.000 0.206 105 K C 2.350 179.061 176.600 0.186 0.000 1.049 105 K CA 1.638 58.020 56.287 0.157 0.000 0.933 105 K CB -0.051 32.376 32.500 -0.120 0.000 0.717 105 K HN 0.157 nan 8.250 nan 0.000 0.442 106 S N -0.466 115.265 115.700 0.051 0.000 2.368 106 S HA -0.134 4.336 4.470 -0.001 0.000 0.224 106 S C 1.843 176.574 174.600 0.219 0.000 1.029 106 S CA 0.806 59.044 58.200 0.064 0.000 0.988 106 S CB -0.317 62.850 63.200 -0.054 0.000 0.838 106 S HN 0.357 nan 8.310 nan 0.000 0.462 107 Y N 1.211 121.563 120.300 0.087 0.000 2.145 107 Y HA -0.004 4.545 4.550 -0.001 0.000 0.286 107 Y C 2.322 178.250 175.900 0.046 0.000 1.145 107 Y CA 0.559 58.694 58.100 0.060 0.000 1.148 107 Y CB -1.282 37.222 38.460 0.073 0.000 0.981 107 Y HN 0.291 nan 8.280 nan 0.000 0.507 108 L N -0.824 120.542 121.223 0.238 0.000 2.017 108 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 108 L C 2.278 179.176 176.870 0.046 0.000 1.073 108 L CA 1.542 56.448 54.840 0.110 0.000 0.745 108 L CB -1.236 40.835 42.059 0.020 0.000 0.894 108 L HN 0.144 nan 8.230 nan 0.000 0.432 109 F N 0.055 119.891 119.950 -0.189 0.000 2.126 109 F HA -0.271 4.255 4.527 -0.001 0.000 0.299 109 F C 2.486 178.123 175.800 -0.273 0.000 1.096 109 F CA 1.973 59.622 58.000 -0.585 0.000 1.255 109 F CB -0.229 38.395 39.000 -0.627 0.000 0.997 109 F HN 0.243 nan 8.300 nan 0.000 0.479 110 Q N -0.623 119.171 119.800 -0.010 0.000 2.079 110 Q HA -0.166 4.174 4.340 -0.001 0.000 0.200 110 Q C 2.131 178.079 176.000 -0.086 0.000 0.974 110 Q CA 1.201 56.981 55.803 -0.039 0.000 0.840 110 Q CB -0.311 28.472 28.738 0.075 0.000 0.898 110 Q HN 0.311 nan 8.270 nan 0.000 0.430 111 L N 0.542 121.730 121.223 -0.058 0.000 2.046 111 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 111 L C 2.104 178.915 176.870 -0.098 0.000 1.077 111 L CA 1.570 56.374 54.840 -0.059 0.000 0.747 111 L CB -0.916 41.122 42.059 -0.036 0.000 0.896 111 L HN 0.260 nan 8.230 nan 0.000 0.432 112 L N -1.371 119.760 121.223 -0.154 0.000 2.083 112 L HA -0.254 4.085 4.340 -0.001 0.000 0.209 112 L C 2.590 179.316 176.870 -0.240 0.000 1.083 112 L CA 1.073 55.804 54.840 -0.180 0.000 0.752 112 L CB -0.394 41.524 42.059 -0.235 0.000 0.899 112 L HN 0.386 nan 8.230 nan 0.000 0.433 113 Q N -0.366 119.242 119.800 -0.320 0.000 2.050 113 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 113 Q C 2.325 178.154 176.000 -0.285 0.000 0.980 113 Q CA 1.500 57.139 55.803 -0.272 0.000 0.840 113 Q CB -0.466 28.149 28.738 -0.206 0.000 0.898 113 Q HN 0.598 nan 8.270 nan 0.000 0.424 114 G N 0.996 109.649 108.800 -0.245 0.000 2.476 114 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.218 114 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.218 114 G C 1.316 176.034 174.900 -0.304 0.000 1.164 114 G CA 0.858 45.756 45.100 -0.336 0.000 0.768 114 G HN 0.134 nan 8.290 nan 0.000 0.560 115 L N 1.328 122.422 121.223 -0.215 0.000 2.046 115 L HA 0.055 4.395 4.340 -0.001 0.000 0.208 115 L C 3.320 179.911 176.870 -0.466 0.000 1.077 115 L CA 1.779 56.401 54.840 -0.363 0.000 0.747 115 L CB -0.822 41.090 42.059 -0.245 0.000 0.896 115 L HN 0.292 nan 8.230 nan 0.000 0.432 116 A N -1.109 121.571 122.820 -0.233 0.000 1.908 116 A HA -0.295 4.024 4.320 -0.001 0.000 0.218 116 A C 2.305 179.826 177.584 -0.105 0.000 1.181 116 A CA 1.923 53.896 52.037 -0.107 0.000 0.627 116 A CB -1.039 17.913 19.000 -0.080 0.000 0.818 116 A HN 0.411 nan 8.150 nan 0.000 0.445 117 F N 0.257 119.997 119.950 -0.349 0.000 2.102 117 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 117 F C 2.486 178.105 175.800 -0.301 0.000 1.105 117 F CA 1.824 59.612 58.000 -0.354 0.000 1.239 117 F CB -0.578 38.003 39.000 -0.698 0.000 0.991 117 F HN 0.297 nan 8.300 nan 0.000 0.474 118 C N -0.009 119.092 119.300 -0.332 0.000 2.446 118 C HA -0.166 4.293 4.460 -0.001 0.000 0.277 118 C C 2.672 177.615 174.990 -0.078 0.000 1.275 118 C CA 1.044 59.825 59.018 -0.395 0.000 1.727 118 C CB -1.517 25.760 27.740 -0.772 0.000 2.010 118 C HN 0.512 nan 8.230 nan 0.000 0.486 119 H N 0.920 119.958 119.070 -0.052 0.000 2.462 119 H HA -0.040 4.516 4.556 -0.001 0.000 0.292 119 H C 2.468 177.783 175.328 -0.022 0.000 1.049 119 H CA 1.718 57.775 56.048 0.014 0.000 1.334 119 H CB -0.607 29.186 29.762 0.052 0.000 1.404 119 H HN 0.614 nan 8.280 nan 0.000 0.544 120 S N -0.265 115.465 115.700 0.050 0.000 2.489 120 S HA -0.085 4.384 4.470 -0.001 0.000 0.228 120 S C 1.149 175.703 174.600 -0.076 0.000 0.995 120 S CA 0.551 58.744 58.200 -0.011 0.000 0.934 120 S CB -0.159 63.019 63.200 -0.037 0.000 0.771 120 S HN 0.393 nan 8.310 nan 0.000 0.522 121 H N 1.130 120.056 119.070 -0.241 0.000 2.520 121 H HA 0.476 5.031 4.556 -0.001 0.000 0.284 121 H C 0.168 175.433 175.328 -0.105 0.000 1.037 121 H CA -0.287 55.627 56.048 -0.224 0.000 1.168 121 H CB 0.087 29.637 29.762 -0.354 0.000 1.497 121 H HN 0.296 nan 8.280 nan 0.000 0.547 122 R N -0.502 120.023 120.500 0.042 0.000 3.423 122 R HA -0.108 4.232 4.340 -0.001 0.000 0.271 122 R C -1.215 175.142 176.300 0.094 0.000 1.093 122 R CA 0.377 56.508 56.100 0.053 0.000 0.730 122 R CB -2.069 28.237 30.300 0.009 0.000 1.190 122 R HN 0.023 nan 8.270 nan 0.000 0.437 123 V N 1.982 121.984 119.914 0.147 0.000 2.531 123 V HA 0.547 4.666 4.120 -0.001 0.000 0.301 123 V C 0.300 176.648 176.094 0.423 0.000 1.034 123 V CA -0.784 61.637 62.300 0.201 0.000 0.865 123 V CB 1.801 33.687 31.823 0.106 0.000 0.995 123 V HN 0.254 nan 8.190 nan 0.000 0.424 124 L N 1.116 122.617 121.223 0.463 0.000 2.303 124 L HA 0.697 5.036 4.340 -0.001 0.000 0.266 124 L C 0.912 178.055 176.870 0.455 0.000 1.011 124 L CA -0.710 54.494 54.840 0.607 0.000 0.818 124 L CB 1.482 43.768 42.059 0.379 0.000 1.326 124 L HN 0.594 nan 8.230 nan 0.000 0.435 125 H N 0.203 119.268 119.070 -0.007 0.000 2.344 125 H HA 0.110 4.666 4.556 -0.001 0.000 0.307 125 H C 1.616 176.883 175.328 -0.103 0.000 1.057 125 H CA 1.347 57.105 56.048 -0.484 0.000 1.373 125 H CB 0.435 29.596 29.762 -1.001 0.000 1.421 125 H HN 0.808 nan 8.280 nan 0.000 0.532 126 R N -0.033 120.591 120.500 0.207 0.000 3.746 126 R HA -0.200 4.139 4.340 -0.001 0.000 0.465 126 R C -0.887 175.500 176.300 0.145 0.000 0.725 126 R CA 1.739 57.938 56.100 0.164 0.000 1.545 126 R CB -1.935 28.488 30.300 0.205 0.000 2.197 126 R HN 0.555 nan 8.270 nan 0.000 0.438 127 D N 0.460 121.055 120.400 0.325 0.000 2.992 127 D HA 0.309 4.949 4.640 -0.001 0.000 0.372 127 D C -0.137 176.109 176.300 -0.089 0.000 1.374 127 D CA -0.260 53.834 54.000 0.156 0.000 0.769 127 D CB 0.156 41.040 40.800 0.141 0.000 1.215 127 D HN 0.233 nan 8.370 nan 0.000 0.473 128 L N 1.695 122.720 121.223 -0.330 0.000 2.490 128 L HA 0.218 4.558 4.340 -0.001 0.000 0.274 128 L C 0.620 177.247 176.870 -0.405 0.000 1.201 128 L CA 0.575 55.086 54.840 -0.548 0.000 0.869 128 L CB 0.403 42.217 42.059 -0.410 0.000 1.123 128 L HN 0.192 nan 8.230 nan 0.000 0.484 129 K N 2.204 122.311 120.400 -0.487 0.000 2.597 129 K HA 0.354 4.674 4.320 -0.001 0.000 0.282 129 K C -2.839 173.481 176.600 -0.466 0.000 0.975 129 K CA -1.487 54.389 56.287 -0.684 0.000 0.867 129 K CB 1.628 33.856 32.500 -0.454 0.000 1.465 129 K HN -0.050 nan 8.250 nan 0.000 0.417 130 P HA -0.211 nan 4.420 nan 0.000 0.217 130 P C 0.665 177.874 177.300 -0.152 0.000 1.148 130 P CA 1.521 64.501 63.100 -0.200 0.000 0.834 130 P CB 0.166 31.820 31.700 -0.078 0.000 0.783 131 Q N -0.875 118.831 119.800 -0.156 0.000 2.291 131 Q HA -0.102 4.238 4.340 -0.001 0.000 0.205 131 Q C 0.793 176.709 176.000 -0.139 0.000 0.970 131 Q CA 1.229 56.957 55.803 -0.124 0.000 0.876 131 Q CB -0.881 27.788 28.738 -0.114 0.000 0.935 131 Q HN 0.491 nan 8.270 nan 0.000 0.455 132 N N -0.988 117.608 118.700 -0.174 0.000 2.328 132 N HA 0.179 4.918 4.740 -0.001 0.000 0.247 132 N C -1.102 174.299 175.510 -0.182 0.000 1.165 132 N CA -0.107 52.844 53.050 -0.163 0.000 0.873 132 N CB 0.446 38.858 38.487 -0.125 0.000 1.125 132 N HN -0.059 nan 8.380 nan 0.000 0.513 133 L N 1.016 122.128 121.223 -0.184 0.000 2.316 133 L HA 0.525 4.865 4.340 -0.001 0.000 0.280 133 L C -0.841 175.912 176.870 -0.195 0.000 1.006 133 L CA -0.691 54.035 54.840 -0.191 0.000 0.836 133 L CB 1.350 43.292 42.059 -0.195 0.000 1.221 133 L HN 0.191 nan 8.230 nan 0.000 0.418 134 L N 5.121 126.221 121.223 -0.205 0.000 2.329 134 L HA 0.697 5.037 4.340 -0.001 0.000 0.279 134 L C -0.013 176.705 176.870 -0.252 0.000 1.014 134 L CA -0.605 54.104 54.840 -0.218 0.000 0.814 134 L CB 1.665 43.595 42.059 -0.215 0.000 1.257 134 L HN 0.499 nan 8.230 nan 0.000 0.424 135 I N -0.174 120.239 120.570 -0.261 0.000 2.910 135 I HA 0.733 4.903 4.170 -0.001 0.000 0.310 135 I C -0.944 175.063 176.117 -0.183 0.000 1.043 135 I CA -0.681 60.455 61.300 -0.274 0.000 1.053 135 I CB 2.171 39.944 38.000 -0.379 0.000 1.242 135 I HN 0.667 nan 8.210 nan 0.000 0.452 136 N N -0.189 118.430 118.700 -0.135 0.000 2.629 136 N HA 0.286 5.026 4.740 -0.001 0.000 0.279 136 N C 0.357 175.818 175.510 -0.082 0.000 1.344 136 N CA -0.264 52.735 53.050 -0.086 0.000 0.789 136 N CB 0.910 39.365 38.487 -0.054 0.000 1.508 136 N HN 0.735 nan 8.380 nan 0.000 0.516 137 T N -3.576 110.931 114.554 -0.077 0.000 3.077 137 T HA -0.049 4.301 4.350 -0.001 0.000 0.269 137 T C 0.587 175.263 174.700 -0.040 0.000 1.146 137 T CA 1.118 63.177 62.100 -0.068 0.000 1.091 137 T CB -0.295 68.526 68.868 -0.079 0.000 0.892 137 T HN 0.490 nan 8.240 nan 0.000 0.533 138 E N 0.996 121.176 120.200 -0.032 0.000 2.481 138 E HA 0.320 4.669 4.350 -0.001 0.000 0.195 138 E C 1.712 178.312 176.600 -0.001 0.000 1.047 138 E CA 0.586 56.976 56.400 -0.017 0.000 0.867 138 E CB -0.566 29.123 29.700 -0.018 0.000 0.858 138 E HN 0.680 nan 8.360 nan 0.000 0.513 139 G N -0.556 108.251 108.800 0.012 0.000 2.157 139 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.248 139 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.248 139 G C 0.400 175.387 174.900 0.145 0.000 0.979 139 G CA 0.141 45.277 45.100 0.060 0.000 0.650 139 G HN 0.529 nan 8.290 nan 0.000 0.529 140 A N -0.426 122.437 122.820 0.072 0.000 2.295 140 A HA 0.875 5.194 4.320 -0.001 0.000 0.318 140 A C -0.064 177.492 177.584 -0.046 0.000 1.134 140 A CA -0.136 51.928 52.037 0.044 0.000 0.827 140 A CB 1.186 20.179 19.000 -0.012 0.000 1.136 140 A HN 1.372 nan 8.150 nan 0.000 0.493 141 I N 0.372 120.876 120.570 -0.110 0.000 2.582 141 I HA 0.537 4.707 4.170 -0.001 0.000 0.292 141 I C -0.934 175.080 176.117 -0.170 0.000 1.066 141 I CA -0.606 60.516 61.300 -0.297 0.000 1.053 141 I CB 1.802 39.424 38.000 -0.630 0.000 1.241 141 I HN 0.703 nan 8.210 nan 0.000 0.421 142 K N 7.044 127.343 120.400 -0.169 0.000 2.435 142 K HA 0.554 4.873 4.320 -0.001 0.000 0.251 142 K C -1.531 175.019 176.600 -0.083 0.000 0.954 142 K CA -0.833 55.397 56.287 -0.095 0.000 0.820 142 K CB 2.597 35.051 32.500 -0.077 0.000 1.292 142 K HN 0.488 nan 8.250 nan 0.000 0.436 143 L N 2.190 123.414 121.223 0.000 0.000 2.281 143 L HA 0.432 4.771 4.340 -0.001 0.000 0.285 143 L C -0.025 176.896 176.870 0.086 0.000 1.074 143 L CA -0.388 54.486 54.840 0.057 0.000 0.817 143 L CB 1.195 43.409 42.059 0.259 0.000 1.168 143 L HN 0.688 nan 8.230 nan 0.000 0.434 144 A N 2.009 124.827 122.820 -0.003 0.000 2.337 144 A HA 0.604 4.923 4.320 -0.001 0.000 0.331 144 A C -0.077 177.513 177.584 0.010 0.000 1.137 144 A CA -0.415 51.563 52.037 -0.099 0.000 0.807 144 A CB 0.852 19.702 19.000 -0.251 0.000 1.250 144 A HN 0.827 nan 8.150 nan 0.000 0.468 145 D N -1.124 119.180 120.400 -0.160 0.000 2.947 145 D HA -0.146 4.494 4.640 -0.001 0.000 0.224 145 D C -0.686 175.493 176.300 -0.202 0.000 1.132 145 D CA 0.984 54.938 54.000 -0.076 0.000 0.801 145 D CB -1.467 39.328 40.800 -0.008 0.000 1.097 145 D HN 0.385 nan 8.370 nan 0.000 0.431 146 F N 0.882 120.771 119.950 -0.102 0.000 2.495 146 F HA 0.421 4.948 4.527 -0.001 0.000 0.365 146 F C 1.869 177.621 175.800 -0.080 0.000 1.090 146 F CA 1.515 59.438 58.000 -0.128 0.000 1.235 146 F CB 0.964 40.004 39.000 0.067 0.000 1.119 146 F HN 0.198 nan 8.300 nan 0.000 0.562 147 G N 3.858 112.758 108.800 0.168 0.000 2.205 147 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.261 147 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.261 147 G C 0.907 175.811 174.900 0.006 0.000 0.980 147 G CA 0.410 45.592 45.100 0.137 0.000 0.632 147 G HN 0.590 nan 8.290 nan 0.000 0.533 148 L N 0.881 122.088 121.223 -0.027 0.000 2.275 148 L HA 0.358 4.697 4.340 -0.001 0.000 0.215 148 L C 3.055 179.877 176.870 -0.079 0.000 1.119 148 L CA 2.456 57.250 54.840 -0.076 0.000 0.790 148 L CB -0.730 41.385 42.059 0.093 0.000 0.919 148 L HN 0.510 nan 8.230 nan 0.000 0.443 149 A N -0.625 122.250 122.820 0.092 0.000 1.897 149 A HA -0.184 4.136 4.320 -0.001 0.000 0.215 149 A C 2.475 180.113 177.584 0.090 0.000 1.181 149 A CA 1.243 53.406 52.037 0.211 0.000 0.620 149 A CB -0.461 18.657 19.000 0.197 0.000 0.821 149 A HN 0.337 nan 8.150 nan 0.000 0.443 150 R N -0.426 120.089 120.500 0.025 0.000 2.285 150 R HA 0.016 4.356 4.340 -0.001 0.000 0.213 150 R C 1.869 178.083 176.300 -0.144 0.000 1.068 150 R CA 0.957 57.046 56.100 -0.017 0.000 1.004 150 R CB -0.217 30.086 30.300 0.004 0.000 0.873 150 R HN 0.477 nan 8.270 nan 0.000 0.467 151 A N -0.539 122.108 122.820 -0.288 0.000 1.943 151 A HA 0.122 4.442 4.320 -0.001 0.000 0.213 151 A C 0.789 177.802 177.584 -0.952 0.000 1.181 151 A CA 0.663 52.300 52.037 -0.666 0.000 0.653 151 A CB 0.130 18.628 19.000 -0.836 0.000 0.833 151 A HN 0.277 nan 8.150 nan 0.000 0.451 152 F N -2.048 117.796 119.950 -0.177 0.000 1.943 152 F HA 0.551 5.078 4.527 -0.001 0.000 0.219 152 F C 0.833 176.700 175.800 0.112 0.000 1.259 152 F CA 0.048 58.007 58.000 -0.069 0.000 1.284 152 F CB -0.080 38.818 39.000 -0.170 0.000 1.919 152 F HN 0.337 nan 8.300 nan 0.000 0.171 153 G N 0.106 109.262 108.800 0.593 0.000 2.322 153 G HA2 0.383 4.343 3.960 -0.001 0.000 0.289 153 G HA3 0.383 4.343 3.960 -0.001 0.000 0.289 153 G C -2.406 172.693 174.900 0.332 0.000 1.687 153 G CA -0.567 44.778 45.100 0.408 0.000 0.944 153 G HN 0.394 nan 8.290 nan 0.000 0.718 154 V N 4.624 124.630 119.914 0.153 0.000 2.364 154 V HA 0.746 4.866 4.120 -0.001 0.000 0.272 154 V C -0.867 175.227 176.094 -0.000 0.000 1.036 154 V CA -1.042 61.240 62.300 -0.029 0.000 0.880 154 V CB 0.988 32.765 31.823 -0.077 0.000 0.991 154 V HN 0.820 nan 8.190 nan 0.000 0.460 155 P HA 0.218 nan 4.420 nan 0.000 0.343 155 P C 0.372 177.655 177.300 -0.027 0.000 1.358 155 P CA 0.072 63.167 63.100 -0.008 0.000 0.802 155 P CB 1.187 32.884 31.700 -0.004 0.000 1.886 156 V N -2.198 117.701 119.914 -0.025 0.000 3.502 156 V HA 0.308 4.427 4.120 -0.001 0.000 0.288 156 V C 0.277 176.349 176.094 -0.037 0.000 1.461 156 V CA 0.061 62.342 62.300 -0.033 0.000 1.029 156 V CB -0.249 31.560 31.823 -0.023 0.000 0.843 156 V HN 0.377 nan 8.190 nan 0.000 0.438 157 R N 0.984 121.465 120.500 -0.032 0.000 2.621 157 R HA 0.635 4.975 4.340 -0.001 0.000 0.284 157 R C -0.468 175.811 176.300 -0.035 0.000 0.998 157 R CA 0.284 56.366 56.100 -0.029 0.000 0.895 157 R CB 1.862 32.156 30.300 -0.011 0.000 1.195 157 R HN 0.368 nan 8.270 nan 0.000 0.450 158 T N 0.441 114.966 114.554 -0.048 0.000 2.940 158 T HA 0.173 4.522 4.350 -0.001 0.000 0.288 158 T C 0.662 175.322 174.700 -0.067 0.000 1.033 158 T CA -0.585 61.481 62.100 -0.056 0.000 1.033 158 T CB 1.026 69.843 68.868 -0.084 0.000 1.079 158 T HN 0.608 nan 8.240 nan 0.000 0.496 159 Y N 1.592 121.778 120.300 -0.189 0.000 2.333 159 Y HA -0.084 4.466 4.550 -0.001 0.000 0.290 159 Y C 2.590 178.132 175.900 -0.596 0.000 1.144 159 Y CA 1.989 59.916 58.100 -0.288 0.000 1.228 159 Y CB -0.542 37.794 38.460 -0.207 0.000 0.985 159 Y HN 0.799 nan 8.280 nan 0.000 0.542 160 T N 0.023 114.401 114.554 -0.293 0.000 3.155 160 T HA -0.138 4.212 4.350 -0.001 0.000 0.264 160 T C 0.383 174.857 174.700 -0.376 0.000 1.160 160 T CA 1.254 63.149 62.100 -0.341 0.000 1.075 160 T CB -0.680 68.120 68.868 -0.113 0.000 0.921 160 T HN 0.774 nan 8.240 nan 0.000 0.533 161 H N -0.692 118.293 119.070 -0.141 0.000 3.366 161 H HA -0.121 4.434 4.556 -0.001 0.000 0.233 161 H C 0.654 175.932 175.328 -0.083 0.000 1.102 161 H CA 1.401 57.374 56.048 -0.125 0.000 1.184 161 H CB -1.681 27.994 29.762 -0.146 0.000 1.216 161 H HN 0.632 nan 8.280 nan 0.000 0.317 162 E N 0.308 120.496 120.200 -0.019 0.000 4.145 162 E HA 0.545 4.895 4.350 -0.001 0.000 0.483 162 E C 0.360 176.933 176.600 -0.044 0.000 0.739 162 E CA -0.375 56.006 56.400 -0.031 0.000 2.968 162 E CB 0.847 30.513 29.700 -0.056 0.000 2.129 162 E HN -0.011 nan 8.360 nan 0.000 0.614 163 V N 1.072 120.944 119.914 -0.070 0.000 2.808 163 V HA 0.187 4.307 4.120 -0.001 0.000 0.308 163 V C -0.478 175.547 176.094 -0.115 0.000 1.099 163 V CA -0.900 61.352 62.300 -0.080 0.000 0.920 163 V CB 1.932 33.711 31.823 -0.074 0.000 1.014 163 V HN 0.274 nan 8.190 nan 0.000 0.425 164 V N 2.279 122.129 119.914 -0.107 0.000 2.614 164 V HA 0.286 4.406 4.120 -0.001 0.000 0.291 164 V C 0.732 176.732 176.094 -0.157 0.000 1.049 164 V CA 0.147 62.374 62.300 -0.123 0.000 1.038 164 V CB 1.513 33.280 31.823 -0.093 0.000 0.980 164 V HN 0.986 nan 8.190 nan 0.000 0.481 165 T N 4.730 119.163 114.554 -0.202 0.000 2.856 165 T HA 0.448 4.797 4.350 -0.001 0.000 0.292 165 T C 0.344 174.967 174.700 -0.128 0.000 0.980 165 T CA -0.371 61.538 62.100 -0.319 0.000 1.091 165 T CB 0.478 69.073 68.868 -0.454 0.000 0.936 165 T HN 0.429 nan 8.240 nan 0.000 0.503 166 L N 4.514 125.696 121.223 -0.068 0.000 2.766 166 L HA 0.354 4.693 4.340 -0.001 0.000 0.242 166 L C 1.324 178.307 176.870 0.189 0.000 1.136 166 L CA -0.133 54.748 54.840 0.069 0.000 0.933 166 L CB -0.182 41.909 42.059 0.053 0.000 1.241 166 L HN 0.682 nan 8.230 nan 0.000 0.522 167 W N -0.360 120.863 121.300 -0.128 0.000 2.359 167 W HA -0.179 4.481 4.660 -0.001 0.000 0.275 167 W C 1.256 177.485 176.519 -0.484 0.000 1.217 167 W CA 0.784 57.907 57.345 -0.370 0.000 1.196 167 W CB -1.022 28.037 29.460 -0.668 0.000 1.129 167 W HN 0.273 nan 8.180 nan 0.000 0.566 168 Y N -1.269 119.249 120.300 0.362 0.000 2.612 168 Y HA 0.300 4.850 4.550 -0.001 0.000 0.250 168 Y C 1.085 177.181 175.900 0.327 0.000 1.175 168 Y CA -0.937 57.371 58.100 0.347 0.000 1.205 168 Y CB -0.423 38.165 38.460 0.212 0.000 1.201 168 Y HN -0.340 nan 8.280 nan 0.000 0.532 169 R N 1.954 122.619 120.500 0.275 0.000 2.389 169 R HA 0.554 4.894 4.340 -0.001 0.000 0.295 169 R C 0.205 176.417 176.300 -0.146 0.000 1.075 169 R CA -0.188 55.959 56.100 0.078 0.000 1.005 169 R CB 0.444 30.747 30.300 0.006 0.000 0.987 169 R HN 0.252 nan 8.270 nan 0.000 0.452 170 A N 6.601 129.213 122.820 -0.347 0.000 2.462 170 A HA 0.191 4.511 4.320 -0.001 0.000 0.243 170 A C -1.502 175.706 177.584 -0.627 0.000 1.076 170 A CA -1.249 50.239 52.037 -0.915 0.000 0.773 170 A CB 0.166 18.898 19.000 -0.448 0.000 1.010 170 A HN 0.752 nan 8.150 nan 0.000 0.493 171 P HA -0.246 nan 4.420 nan 0.000 0.216 171 P C 1.038 178.430 177.300 0.153 0.000 1.150 171 P CA 1.715 64.720 63.100 -0.158 0.000 0.837 171 P CB 0.027 31.780 31.700 0.089 0.000 0.786 172 E N 0.532 120.860 120.200 0.215 0.000 2.153 172 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 172 E C 2.166 178.862 176.600 0.160 0.000 0.988 172 E CA 1.026 57.641 56.400 0.358 0.000 0.811 172 E CB -1.172 28.753 29.700 0.375 0.000 0.746 172 E HN 0.331 nan 8.360 nan 0.000 0.466 173 I N 0.350 120.922 120.570 0.003 0.000 2.286 173 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 173 I C 2.164 178.274 176.117 -0.010 0.000 1.104 173 I CA 0.439 61.707 61.300 -0.053 0.000 1.397 173 I CB -0.171 37.687 38.000 -0.237 0.000 1.072 173 I HN 0.056 nan 8.210 nan 0.000 0.417 174 L N 0.377 121.584 121.223 -0.026 0.000 2.191 174 L HA -0.102 4.238 4.340 -0.001 0.000 0.212 174 L C 2.073 178.974 176.870 0.052 0.000 1.103 174 L CA 1.657 56.489 54.840 -0.014 0.000 0.769 174 L CB -0.855 41.166 42.059 -0.064 0.000 0.908 174 L HN 0.262 nan 8.230 nan 0.000 0.438 175 L N -1.192 120.096 121.223 0.108 0.000 2.611 175 L HA 0.206 4.545 4.340 -0.001 0.000 0.229 175 L C 1.428 178.364 176.870 0.109 0.000 1.137 175 L CA 0.559 55.491 54.840 0.152 0.000 0.901 175 L CB -0.357 41.807 42.059 0.176 0.000 1.098 175 L HN 0.485 nan 8.230 nan 0.000 0.456 176 G N -0.726 108.124 108.800 0.084 0.000 2.175 176 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.244 176 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.244 176 G C 0.404 175.340 174.900 0.059 0.000 0.982 176 G CA -0.012 45.125 45.100 0.061 0.000 0.641 176 G HN 0.333 nan 8.290 nan 0.000 0.527 177 C N 2.504 121.866 119.300 0.103 0.000 2.648 177 C HA 0.471 4.931 4.460 -0.001 0.000 0.406 177 C C 2.102 177.153 174.990 0.103 0.000 1.406 177 C CA 0.782 59.870 59.018 0.117 0.000 1.610 177 C CB -0.364 27.504 27.740 0.213 0.000 2.451 177 C HN 0.618 nan 8.230 nan 0.000 0.608 178 K N 3.712 124.035 120.400 -0.128 0.000 2.400 178 K HA 0.029 4.348 4.320 -0.001 0.000 0.194 178 K C -0.464 175.773 176.600 -0.604 0.000 1.033 178 K CA 0.801 56.875 56.287 -0.355 0.000 1.021 178 K CB 0.070 32.210 32.500 -0.601 0.000 0.808 178 K HN 0.718 nan 8.250 nan 0.000 0.505 179 Y N 2.026 122.305 120.300 -0.035 0.000 2.635 179 Y HA 0.226 4.776 4.550 -0.001 0.000 0.373 179 Y C -0.574 175.270 175.900 -0.094 0.000 1.000 179 Y CA -2.213 55.799 58.100 -0.145 0.000 1.219 179 Y CB -0.495 37.931 38.460 -0.057 0.000 1.294 179 Y HN 0.030 nan 8.280 nan 0.000 0.612 180 Y N -1.083 119.305 120.300 0.145 0.000 2.314 180 Y HA 0.598 5.147 4.550 -0.001 0.000 0.334 180 Y C 0.764 176.730 175.900 0.110 0.000 1.266 180 Y CA -1.051 57.123 58.100 0.122 0.000 1.391 180 Y CB 0.460 38.974 38.460 0.091 0.000 1.306 180 Y HN 0.223 nan 8.280 nan 0.000 0.558 181 S N -0.858 115.008 115.700 0.276 0.000 2.753 181 S HA 0.256 4.725 4.470 -0.001 0.000 0.302 181 S C 1.086 175.763 174.600 0.128 0.000 1.104 181 S CA -0.201 58.089 58.200 0.151 0.000 0.968 181 S CB 0.610 63.862 63.200 0.087 0.000 1.278 181 S HN 0.915 nan 8.310 nan 0.000 0.549 182 T N -1.749 112.778 114.554 -0.045 0.000 2.946 182 T HA -0.042 4.307 4.350 -0.001 0.000 0.271 182 T C 1.859 176.487 174.700 -0.120 0.000 1.104 182 T CA 1.153 63.060 62.100 -0.322 0.000 1.114 182 T CB -1.065 67.295 68.868 -0.847 0.000 0.867 182 T HN 0.909 nan 8.240 nan 0.000 0.513 183 A N 1.763 124.596 122.820 0.021 0.000 2.070 183 A HA 0.085 4.405 4.320 -0.001 0.000 0.220 183 A C 2.667 180.356 177.584 0.176 0.000 1.159 183 A CA 1.521 53.623 52.037 0.107 0.000 0.656 183 A CB -1.022 18.041 19.000 0.106 0.000 0.800 183 A HN 0.821 nan 8.150 nan 0.000 0.453 184 V N -2.119 117.894 119.914 0.165 0.000 2.515 184 V HA -0.178 3.941 4.120 -0.001 0.000 0.250 184 V C 1.601 177.827 176.094 0.220 0.000 1.058 184 V CA 2.332 64.726 62.300 0.156 0.000 1.064 184 V CB -0.737 31.106 31.823 0.033 0.000 0.675 184 V HN 0.387 nan 8.190 nan 0.000 0.461 185 D N 0.585 121.125 120.400 0.233 0.000 2.183 185 D HA -0.019 4.621 4.640 -0.001 0.000 0.203 185 D C 2.202 178.648 176.300 0.245 0.000 0.969 185 D CA 1.230 55.377 54.000 0.244 0.000 0.842 185 D CB -0.065 40.952 40.800 0.362 0.000 0.957 185 D HN 0.412 nan 8.370 nan 0.000 0.484 186 I N 0.486 121.217 120.570 0.268 0.000 2.315 186 I HA -0.206 3.964 4.170 -0.001 0.000 0.248 186 I C 2.321 178.568 176.117 0.218 0.000 1.117 186 I CA 0.704 62.135 61.300 0.219 0.000 1.404 186 I CB -0.877 37.242 38.000 0.197 0.000 1.071 186 I HN 0.266 nan 8.210 nan 0.000 0.419 187 W N 2.104 123.465 121.300 0.102 0.000 2.355 187 W HA -0.214 4.446 4.660 -0.001 0.000 0.309 187 W C 2.560 179.169 176.519 0.149 0.000 1.206 187 W CA 1.819 59.229 57.345 0.108 0.000 1.284 187 W CB -0.431 29.083 29.460 0.090 0.000 1.145 187 W HN 0.087 nan 8.180 nan 0.000 0.502 188 S N 1.416 117.373 115.700 0.428 0.000 2.359 188 S HA -0.252 4.217 4.470 -0.001 0.000 0.224 188 S C 1.746 176.455 174.600 0.182 0.000 1.035 188 S CA 1.670 60.078 58.200 0.346 0.000 1.018 188 S CB -1.029 62.305 63.200 0.223 0.000 0.876 188 S HN 0.237 nan 8.310 nan 0.000 0.448 189 L N 2.064 123.358 121.223 0.117 0.000 2.127 189 L HA -0.006 4.334 4.340 -0.001 0.000 0.211 189 L C 2.227 179.167 176.870 0.116 0.000 1.089 189 L CA 1.816 56.705 54.840 0.081 0.000 0.757 189 L CB -1.300 40.799 42.059 0.067 0.000 0.899 189 L HN 0.324 nan 8.230 nan 0.000 0.434 190 G N -1.530 107.310 108.800 0.067 0.000 2.421 190 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.216 190 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.216 190 G C 1.601 176.492 174.900 -0.015 0.000 1.171 190 G CA 0.935 46.054 45.100 0.032 0.000 0.775 190 G HN 0.520 nan 8.290 nan 0.000 0.543 191 C N 0.455 119.722 119.300 -0.054 0.000 2.425 191 C HA 0.054 4.513 4.460 -0.001 0.000 0.277 191 C C 2.822 177.895 174.990 0.139 0.000 1.280 191 C CA 0.367 59.377 59.018 -0.013 0.000 1.744 191 C CB -0.969 26.878 27.740 0.178 0.000 1.989 191 C HN 0.459 nan 8.230 nan 0.000 0.491 192 I N 0.013 120.715 120.570 0.221 0.000 2.252 192 I HA -0.159 4.011 4.170 -0.001 0.000 0.245 192 I C 2.490 178.735 176.117 0.214 0.000 1.102 192 I CA 1.313 62.729 61.300 0.193 0.000 1.385 192 I CB -0.590 37.447 38.000 0.061 0.000 1.064 192 I HN 0.239 nan 8.210 nan 0.000 0.414 193 F N 2.510 122.473 119.950 0.022 0.000 2.069 193 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 193 F C 2.496 178.284 175.800 -0.021 0.000 1.113 193 F CA 1.471 59.483 58.000 0.020 0.000 1.214 193 F CB -0.915 38.081 39.000 -0.007 0.000 0.978 193 F HN 0.029 nan 8.300 nan 0.000 0.474 194 A N -0.202 122.522 122.820 -0.159 0.000 1.933 194 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 194 A C 2.296 179.766 177.584 -0.191 0.000 1.175 194 A CA 1.755 53.587 52.037 -0.341 0.000 0.628 194 A CB -1.029 17.737 19.000 -0.389 0.000 0.814 194 A HN 0.584 nan 8.150 nan 0.000 0.444 195 E N -0.626 119.532 120.200 -0.070 0.000 2.077 195 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 195 E C 2.096 178.705 176.600 0.015 0.000 0.989 195 E CA 1.313 57.700 56.400 -0.023 0.000 0.800 195 E CB -0.192 29.560 29.700 0.087 0.000 0.746 195 E HN 0.671 nan 8.360 nan 0.000 0.452 196 M N 0.026 119.677 119.600 0.086 0.000 2.080 196 M HA -0.188 4.291 4.480 -0.001 0.000 0.260 196 M C 2.351 178.687 176.300 0.061 0.000 1.068 196 M CA 1.189 56.559 55.300 0.118 0.000 1.109 196 M CB -0.235 32.507 32.600 0.236 0.000 1.342 196 M HN 0.091 nan 8.290 nan 0.000 0.405 197 V N 0.203 120.128 119.914 0.018 0.000 2.295 197 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 197 V C 2.570 178.622 176.094 -0.070 0.000 1.049 197 V CA 2.351 64.628 62.300 -0.038 0.000 1.024 197 V CB -1.211 30.519 31.823 -0.155 0.000 0.648 197 V HN 0.657 nan 8.190 nan 0.000 0.447 198 T N -3.063 111.428 114.554 -0.105 0.000 3.057 198 T HA 0.046 4.395 4.350 -0.001 0.000 0.254 198 T C 1.016 175.666 174.700 -0.085 0.000 1.094 198 T CA 0.210 62.244 62.100 -0.110 0.000 1.088 198 T CB -0.094 68.679 68.868 -0.159 0.000 0.934 198 T HN 0.513 nan 8.240 nan 0.000 0.497 199 R N -0.063 120.400 120.500 -0.062 0.000 3.656 199 R HA -0.113 4.226 4.340 -0.001 0.000 0.297 199 R C -0.077 176.190 176.300 -0.056 0.000 1.166 199 R CA 0.610 56.683 56.100 -0.046 0.000 0.799 199 R CB -2.156 28.116 30.300 -0.047 0.000 1.285 199 R HN 0.575 nan 8.270 nan 0.000 0.477 200 R N -0.061 120.390 120.500 -0.082 0.000 2.561 200 R HA 0.533 4.872 4.340 -0.001 0.000 0.266 200 R C -1.058 175.145 176.300 -0.162 0.000 1.091 200 R CA 0.084 56.115 56.100 -0.115 0.000 0.927 200 R CB 1.550 31.765 30.300 -0.142 0.000 1.240 200 R HN 0.191 nan 8.270 nan 0.000 0.449 201 A N 4.137 126.837 122.820 -0.199 0.000 2.540 201 A HA 0.078 4.397 4.320 -0.001 0.000 0.239 201 A C 1.096 178.428 177.584 -0.419 0.000 1.061 201 A CA -0.137 51.728 52.037 -0.286 0.000 0.758 201 A CB 0.240 18.924 19.000 -0.526 0.000 0.991 201 A HN 0.889 nan 8.150 nan 0.000 0.502 202 L N 0.954 121.884 121.223 -0.487 0.000 1.988 202 L HA -0.007 4.332 4.340 -0.001 0.000 0.207 202 L C -0.008 176.351 176.870 -0.853 0.000 1.071 202 L CA 1.433 55.801 54.840 -0.786 0.000 0.744 202 L CB -0.145 41.260 42.059 -1.090 0.000 0.893 202 L HN 0.748 nan 8.230 nan 0.000 0.433 203 F N 0.325 120.065 119.950 -0.351 0.000 2.564 203 F HA 0.318 4.844 4.527 -0.001 0.000 0.361 203 F C -2.055 173.379 175.800 -0.609 0.000 1.161 203 F CA -2.940 54.847 58.000 -0.355 0.000 1.198 203 F CB 0.238 39.134 39.000 -0.173 0.000 1.424 203 F HN -0.044 nan 8.300 nan 0.000 0.517 204 P HA 0.146 nan 4.420 nan 0.000 0.225 204 P C 0.549 177.478 177.300 -0.619 0.000 1.813 204 P CA 0.223 62.414 63.100 -1.515 0.000 1.013 204 P CB 0.385 31.258 31.700 -1.378 0.000 1.961 205 G N 2.014 110.685 108.800 -0.215 0.000 2.483 205 G HA2 0.150 4.109 3.960 -0.001 0.000 0.248 205 G HA3 0.150 4.109 3.960 -0.001 0.000 0.248 205 G C 0.411 175.454 174.900 0.239 0.000 1.248 205 G CA -0.435 44.688 45.100 0.038 0.000 0.838 205 G HN 0.320 nan 8.290 nan 0.000 0.566 206 D N -1.769 118.701 120.400 0.115 0.000 2.398 206 D HA 0.210 4.849 4.640 -0.001 0.000 0.210 206 D C 0.791 177.118 176.300 0.045 0.000 1.094 206 D CA 0.313 54.385 54.000 0.120 0.000 0.839 206 D CB 0.482 41.330 40.800 0.081 0.000 0.963 206 D HN 0.497 nan 8.370 nan 0.000 0.506 207 S N -1.669 114.036 115.700 0.009 0.000 2.611 207 S HA 0.248 4.718 4.470 -0.001 0.000 0.268 207 S C 0.353 174.912 174.600 -0.069 0.000 1.156 207 S CA -0.908 57.271 58.200 -0.035 0.000 0.817 207 S CB 1.196 64.361 63.200 -0.059 0.000 1.122 207 S HN -0.100 nan 8.310 nan 0.000 0.466 208 E N 0.237 120.386 120.200 -0.086 0.000 2.077 208 E HA -0.072 4.278 4.350 -0.001 0.000 0.193 208 E C 1.601 178.078 176.600 -0.204 0.000 0.989 208 E CA 1.354 57.687 56.400 -0.111 0.000 0.800 208 E CB -0.157 29.494 29.700 -0.083 0.000 0.746 208 E HN 0.612 nan 8.360 nan 0.000 0.452 209 I N 1.059 121.468 120.570 -0.269 0.000 2.500 209 I HA -0.201 3.968 4.170 -0.001 0.000 0.252 209 I C 1.990 177.742 176.117 -0.609 0.000 1.142 209 I CA 1.120 62.112 61.300 -0.514 0.000 1.451 209 I CB 0.100 37.769 38.000 -0.551 0.000 1.093 209 I HN -0.004 nan 8.210 nan 0.000 0.430 210 D N 0.150 120.343 120.400 -0.344 0.000 2.178 210 D HA -0.296 4.344 4.640 -0.001 0.000 0.202 210 D C 2.104 178.287 176.300 -0.195 0.000 0.974 210 D CA 1.177 55.044 54.000 -0.223 0.000 0.841 210 D CB 0.117 40.850 40.800 -0.112 0.000 0.953 210 D HN 0.277 nan 8.370 nan 0.000 0.478 211 Q N -0.358 119.328 119.800 -0.189 0.000 2.083 211 Q HA -0.042 4.298 4.340 -0.001 0.000 0.198 211 Q C 1.931 177.755 176.000 -0.293 0.000 0.969 211 Q CA 0.973 56.679 55.803 -0.161 0.000 0.838 211 Q CB -0.541 28.147 28.738 -0.083 0.000 0.900 211 Q HN 0.364 nan 8.270 nan 0.000 0.436 212 L N -0.510 120.474 121.223 -0.398 0.000 2.046 212 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 212 L C 1.774 178.126 176.870 -0.862 0.000 1.077 212 L CA 1.622 56.065 54.840 -0.662 0.000 0.747 212 L CB -0.659 40.993 42.059 -0.678 0.000 0.896 212 L HN 0.250 nan 8.230 nan 0.000 0.432 213 F N -0.194 119.310 119.950 -0.744 0.000 2.293 213 F HA -0.050 4.476 4.527 -0.001 0.000 0.300 213 F C 2.582 178.048 175.800 -0.557 0.000 1.086 213 F CA 0.743 58.401 58.000 -0.569 0.000 1.375 213 F CB -0.866 38.001 39.000 -0.222 0.000 1.045 213 F HN 0.119 nan 8.300 nan 0.000 0.516 214 R N -0.012 120.333 120.500 -0.259 0.000 2.090 214 R HA -0.058 4.281 4.340 -0.001 0.000 0.228 214 R C 2.269 178.398 176.300 -0.285 0.000 1.110 214 R CA 1.079 57.038 56.100 -0.234 0.000 0.973 214 R CB -0.334 29.897 30.300 -0.116 0.000 0.869 214 R HN 0.238 nan 8.270 nan 0.000 0.440 215 I N 0.229 120.488 120.570 -0.519 0.000 2.179 215 I HA -0.290 3.880 4.170 -0.001 0.000 0.242 215 I C 1.833 177.961 176.117 0.019 0.000 1.088 215 I CA 1.231 62.126 61.300 -0.676 0.000 1.357 215 I CB -0.358 37.357 38.000 -0.474 0.000 1.051 215 I HN 0.051 nan 8.210 nan 0.000 0.409 216 F N 1.518 121.429 119.950 -0.065 0.000 2.095 216 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 216 F C 2.730 178.484 175.800 -0.076 0.000 1.104 216 F CA 1.318 59.356 58.000 0.063 0.000 1.232 216 F CB -1.377 37.687 39.000 0.106 0.000 0.987 216 F HN 0.026 nan 8.300 nan 0.000 0.475 217 R N -0.707 119.632 120.500 -0.268 0.000 2.127 217 R HA -0.135 4.204 4.340 -0.001 0.000 0.238 217 R C 2.028 178.242 176.300 -0.144 0.000 1.134 217 R CA 1.943 57.725 56.100 -0.530 0.000 0.975 217 R CB -0.665 29.183 30.300 -0.753 0.000 0.865 217 R HN 0.248 nan 8.270 nan 0.000 0.447 218 T N 0.070 114.619 114.554 -0.009 0.000 2.953 218 T HA 0.059 4.408 4.350 -0.001 0.000 0.247 218 T C 1.164 175.925 174.700 0.102 0.000 1.029 218 T CA 0.533 62.664 62.100 0.052 0.000 1.144 218 T CB 0.162 69.135 68.868 0.174 0.000 0.870 218 T HN -0.027 nan 8.240 nan 0.000 0.446 219 L N 0.639 121.979 121.223 0.195 0.000 2.585 219 L HA 0.439 4.778 4.340 -0.001 0.000 0.226 219 L C 1.257 178.355 176.870 0.381 0.000 1.113 219 L CA 0.300 55.300 54.840 0.267 0.000 0.876 219 L CB -1.122 41.051 42.059 0.191 0.000 1.072 219 L HN 0.447 nan 8.230 nan 0.000 0.468 220 G N -0.486 108.517 108.800 0.338 0.000 2.721 220 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.686 220 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.686 220 G C -0.081 174.948 174.900 0.215 0.000 1.236 220 G CA -0.518 44.758 45.100 0.293 0.000 0.786 220 G HN -0.006 nan 8.290 nan 0.000 0.616 221 T N 4.899 119.471 114.554 0.030 0.000 2.867 221 T HA 0.423 4.772 4.350 -0.001 0.000 0.297 221 T C -1.207 173.250 174.700 -0.405 0.000 0.989 221 T CA 0.408 62.248 62.100 -0.432 0.000 1.159 221 T CB 0.957 69.654 68.868 -0.284 0.000 0.928 221 T HN 0.658 nan 8.240 nan 0.000 0.538 222 P HA 0.260 nan 4.420 nan 0.000 0.271 222 P C -0.918 176.239 177.300 -0.239 0.000 1.216 222 P CA -0.360 62.418 63.100 -0.537 0.000 0.776 222 P CB 0.812 32.049 31.700 -0.771 0.000 0.881 223 D N -0.021 120.303 120.400 -0.126 0.000 2.732 223 D HA 0.199 4.839 4.640 -0.001 0.000 0.292 223 D C 0.788 177.039 176.300 -0.082 0.000 1.135 223 D CA -0.652 53.283 54.000 -0.108 0.000 1.071 223 D CB 0.258 41.025 40.800 -0.055 0.000 1.457 223 D HN 0.094 nan 8.370 nan 0.000 0.547 224 E N -0.399 119.741 120.200 -0.101 0.000 2.268 224 E HA -0.047 4.302 4.350 -0.001 0.000 0.195 224 E C 1.959 178.562 176.600 0.004 0.000 0.995 224 E CA 0.454 56.813 56.400 -0.068 0.000 0.836 224 E CB -0.097 29.551 29.700 -0.087 0.000 0.763 224 E HN 0.356 nan 8.360 nan 0.000 0.491 225 V N 1.172 121.091 119.914 0.009 0.000 2.244 225 V HA -0.207 3.913 4.120 -0.001 0.000 0.244 225 V C 2.585 178.714 176.094 0.058 0.000 1.042 225 V CA 1.912 64.229 62.300 0.028 0.000 1.006 225 V CB -0.646 31.191 31.823 0.023 0.000 0.641 225 V HN 0.236 nan 8.190 nan 0.000 0.446 226 V N -4.660 115.305 119.914 0.084 0.000 3.129 226 V HA 0.052 4.171 4.120 -0.001 0.000 0.259 226 V C 0.749 176.971 176.094 0.212 0.000 1.116 226 V CA 0.477 62.851 62.300 0.123 0.000 1.127 226 V CB -0.067 31.851 31.823 0.158 0.000 0.742 226 V HN 0.606 nan 8.190 nan 0.000 0.474 227 W N 2.312 123.598 121.300 -0.023 0.000 2.330 227 W HA 0.591 5.250 4.660 -0.000 0.000 0.286 227 W C -3.408 173.083 176.519 -0.046 0.000 1.019 227 W CA -3.338 54.000 57.345 -0.012 0.000 1.485 227 W CB 0.916 30.358 29.460 -0.030 0.000 1.457 227 W HN 0.097 nan 8.180 nan 0.000 0.359 228 P HA 0.232 nan 4.420 nan 0.000 0.263 228 P C 0.869 178.202 177.300 0.056 0.000 1.195 228 P CA 2.328 65.496 63.100 0.113 0.000 0.762 228 P CB 0.711 32.476 31.700 0.109 0.000 0.799 229 G N 2.048 110.780 108.800 -0.113 0.000 2.195 229 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.246 229 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.246 229 G C 0.993 175.638 174.900 -0.426 0.000 0.984 229 G CA 0.138 45.128 45.100 -0.184 0.000 0.633 229 G HN 0.507 nan 8.290 nan 0.000 0.525 230 V N 1.876 121.353 119.914 -0.728 0.000 2.332 230 V HA -0.150 3.970 4.120 -0.001 0.000 0.248 230 V C 3.041 178.587 176.094 -0.913 0.000 1.055 230 V CA 4.023 65.650 62.300 -1.121 0.000 1.038 230 V CB -0.646 30.456 31.823 -1.202 0.000 0.651 230 V HN 1.169 nan 8.190 nan 0.000 0.450 231 T N -3.134 110.863 114.554 -0.928 0.000 3.051 231 T HA -0.070 4.279 4.350 -0.001 0.000 0.269 231 T C 1.606 176.026 174.700 -0.466 0.000 1.127 231 T CA 1.481 62.919 62.100 -1.103 0.000 1.107 231 T CB -0.320 68.140 68.868 -0.680 0.000 0.898 231 T HN 0.475 nan 8.240 nan 0.000 0.517 232 S N 0.667 116.166 115.700 -0.335 0.000 2.556 232 S HA 0.376 4.845 4.470 -0.001 0.000 0.216 232 S C 0.724 175.261 174.600 -0.105 0.000 0.970 232 S CA -0.352 57.751 58.200 -0.161 0.000 0.912 232 S CB -0.200 62.926 63.200 -0.123 0.000 0.790 232 S HN 0.439 nan 8.310 nan 0.000 0.504 233 M N 1.983 121.499 119.600 -0.140 0.000 2.252 233 M HA 0.115 4.595 4.480 -0.001 0.000 0.333 233 M C -1.625 174.690 176.300 0.025 0.000 1.111 233 M CA -1.560 53.709 55.300 -0.052 0.000 1.140 233 M CB -0.603 31.955 32.600 -0.070 0.000 1.538 233 M HN -0.141 nan 8.290 nan 0.000 0.448 234 P HA -0.165 nan 4.420 nan 0.000 0.216 234 P C 0.302 177.627 177.300 0.042 0.000 1.153 234 P CA 1.489 64.607 63.100 0.030 0.000 0.858 234 P CB 0.218 31.933 31.700 0.024 0.000 0.789 235 D N -3.361 117.084 120.400 0.075 0.000 2.368 235 D HA 0.028 4.667 4.640 -0.001 0.000 0.218 235 D C 0.139 176.506 176.300 0.112 0.000 1.112 235 D CA -0.257 53.793 54.000 0.084 0.000 0.834 235 D CB -0.349 40.514 40.800 0.104 0.000 0.953 235 D HN 0.218 nan 8.370 nan 0.000 0.505 236 Y N 2.387 122.679 120.300 -0.013 0.000 2.442 236 Y HA 0.096 4.645 4.550 -0.001 0.000 0.330 236 Y C -0.008 175.637 175.900 -0.424 0.000 1.129 236 Y CA -0.037 58.006 58.100 -0.095 0.000 1.365 236 Y CB 0.493 38.892 38.460 -0.101 0.000 1.233 236 Y HN -0.388 nan 8.280 nan 0.000 0.529 237 K N 8.361 127.643 120.400 -1.864 0.000 2.358 237 K HA 0.262 4.582 4.320 -0.001 0.000 0.260 237 K C -2.239 173.517 176.600 -1.406 0.000 0.956 237 K CA -2.111 53.364 56.287 -1.353 0.000 0.834 237 K CB 1.550 33.400 32.500 -1.083 0.000 1.102 237 K HN 0.433 nan 8.250 nan 0.000 0.431 238 P HA -0.175 nan 4.420 nan 0.000 0.220 238 P C 0.835 177.975 177.300 -0.267 0.000 1.144 238 P CA 1.235 64.168 63.100 -0.279 0.000 0.800 238 P CB 0.289 31.934 31.700 -0.093 0.000 0.772 239 S N -2.743 112.772 115.700 -0.309 0.000 2.650 239 S HA 0.037 4.507 4.470 -0.001 0.000 0.219 239 S C 0.502 175.074 174.600 -0.047 0.000 0.960 239 S CA -0.308 57.800 58.200 -0.153 0.000 0.925 239 S CB -1.091 62.047 63.200 -0.103 0.000 0.775 239 S HN -0.143 nan 8.310 nan 0.000 0.525 240 F N 3.520 123.380 119.950 -0.151 0.000 2.608 240 F HA 0.338 4.864 4.527 -0.001 0.000 0.380 240 F C -2.005 173.641 175.800 -0.257 0.000 1.083 240 F CA -2.567 55.373 58.000 -0.101 0.000 1.266 240 F CB -0.664 38.302 39.000 -0.056 0.000 1.076 240 F HN 0.051 nan 8.300 nan 0.000 0.574 241 P HA 0.013 nan 4.420 nan 0.000 0.267 241 P C -0.762 176.183 177.300 -0.592 0.000 1.200 241 P CA -0.075 62.640 63.100 -0.642 0.000 0.772 241 P CB 0.523 31.445 31.700 -1.296 0.000 0.855 242 K N 2.908 123.007 120.400 -0.501 0.000 2.266 242 K HA 0.255 4.575 4.320 -0.001 0.000 0.274 242 K C -0.864 175.563 176.600 -0.287 0.000 1.090 242 K CA -0.013 56.100 56.287 -0.290 0.000 0.925 242 K CB 0.052 32.451 32.500 -0.167 0.000 1.225 242 K HN 0.423 nan 8.250 nan 0.000 0.458 243 W N 1.858 123.121 121.300 -0.061 0.000 2.496 243 W HA 0.533 5.192 4.660 -0.001 0.000 0.327 243 W C 0.315 176.837 176.519 0.005 0.000 1.086 243 W CA -1.337 55.996 57.345 -0.020 0.000 1.222 243 W CB 1.415 30.879 29.460 0.006 0.000 1.304 243 W HN 0.450 nan 8.180 nan 0.000 0.547 244 A N 3.610 126.591 122.820 0.270 0.000 2.340 244 A HA 0.450 4.770 4.320 -0.001 0.000 0.268 244 A C 0.321 178.013 177.584 0.181 0.000 1.100 244 A CA -0.535 51.606 52.037 0.173 0.000 0.803 244 A CB 0.486 19.563 19.000 0.127 0.000 1.043 244 A HN 0.698 nan 8.150 nan 0.000 0.488 245 R N 0.685 121.281 120.500 0.161 0.000 2.641 245 R HA 0.221 4.560 4.340 -0.001 0.000 0.269 245 R C -0.781 175.593 176.300 0.124 0.000 1.074 245 R CA -0.095 56.105 56.100 0.167 0.000 1.133 245 R CB 0.336 30.749 30.300 0.189 0.000 1.029 245 R HN 0.748 nan 8.270 nan 0.000 0.488 246 Q N 1.721 121.582 119.800 0.102 0.000 2.342 246 Q HA 0.142 4.481 4.340 -0.001 0.000 0.267 246 Q C -1.034 175.006 176.000 0.066 0.000 1.038 246 Q CA -0.635 55.200 55.803 0.054 0.000 0.832 246 Q CB 1.782 30.518 28.738 -0.002 0.000 1.323 246 Q HN 0.651 nan 8.270 nan 0.000 0.448 247 D N 1.157 121.598 120.400 0.067 0.000 2.488 247 D HA -0.051 4.589 4.640 -0.001 0.000 0.238 247 D C 0.363 176.714 176.300 0.085 0.000 1.138 247 D CA 0.228 54.293 54.000 0.109 0.000 0.873 247 D CB 0.548 41.389 40.800 0.069 0.000 1.183 247 D HN 0.367 nan 8.370 nan 0.000 0.458 248 F N 1.365 121.290 119.950 -0.042 0.000 2.451 248 F HA -0.163 4.364 4.527 -0.001 0.000 0.299 248 F C 2.662 178.405 175.800 -0.095 0.000 1.101 248 F CA 0.869 58.820 58.000 -0.083 0.000 1.436 248 F CB -0.257 38.684 39.000 -0.099 0.000 1.074 248 F HN 0.373 nan 8.300 nan 0.000 0.553 249 S N -0.690 115.058 115.700 0.080 0.000 2.447 249 S HA -0.218 4.252 4.470 -0.001 0.000 0.233 249 S C 1.926 176.502 174.600 -0.041 0.000 1.006 249 S CA 1.126 59.334 58.200 0.013 0.000 0.957 249 S CB -0.409 62.802 63.200 0.017 0.000 0.773 249 S HN 0.496 nan 8.310 nan 0.000 0.507 250 K N 0.551 120.913 120.400 -0.064 0.000 2.352 250 K HA 0.250 4.569 4.320 -0.001 0.000 0.194 250 K C 1.544 178.047 176.600 -0.162 0.000 1.038 250 K CA 0.344 56.574 56.287 -0.095 0.000 1.023 250 K CB 0.165 32.620 32.500 -0.075 0.000 0.840 250 K HN 0.263 nan 8.250 nan 0.000 0.519 251 V N 0.949 120.720 119.914 -0.239 0.000 2.407 251 V HA -0.092 4.028 4.120 -0.001 0.000 0.245 251 V C 1.118 177.013 176.094 -0.331 0.000 1.041 251 V CA 1.357 63.437 62.300 -0.366 0.000 1.040 251 V CB 0.770 32.187 31.823 -0.677 0.000 0.671 251 V HN 0.316 nan 8.190 nan 0.000 0.455 252 V N -1.560 118.193 119.914 -0.269 0.000 2.502 252 V HA 0.502 4.622 4.120 -0.001 0.000 0.261 252 V C -2.729 173.261 176.094 -0.174 0.000 0.996 252 V CA -1.642 60.510 62.300 -0.248 0.000 1.095 252 V CB 0.590 32.219 31.823 -0.324 0.000 1.325 252 V HN 0.257 nan 8.190 nan 0.000 0.574 253 P HA 0.479 nan 4.420 nan 0.000 0.282 253 P C -2.385 174.864 177.300 -0.085 0.000 1.259 253 P CA -1.501 61.544 63.100 -0.091 0.000 0.826 253 P CB 1.694 33.350 31.700 -0.074 0.000 1.064 254 P HA 0.197 nan 4.420 nan 0.000 0.241 254 P C 0.107 177.390 177.300 -0.029 0.000 1.783 254 P CA -0.541 62.536 63.100 -0.038 0.000 1.052 254 P CB -0.053 31.633 31.700 -0.023 0.000 1.594 255 L N 2.446 123.634 121.223 -0.058 0.000 2.559 255 L HA 0.002 4.341 4.340 -0.001 0.000 0.282 255 L C 0.461 177.317 176.870 -0.022 0.000 1.232 255 L CA 0.391 55.199 54.840 -0.053 0.000 0.885 255 L CB -0.198 41.757 42.059 -0.173 0.000 1.131 255 L HN 0.108 nan 8.230 nan 0.000 0.498 256 D N 1.864 122.288 120.400 0.039 0.000 2.360 256 D HA 0.023 4.663 4.640 -0.001 0.000 0.242 256 D C 0.799 177.108 176.300 0.015 0.000 1.184 256 D CA -0.165 53.865 54.000 0.050 0.000 0.930 256 D CB 0.468 41.336 40.800 0.114 0.000 1.161 256 D HN 0.630 nan 8.370 nan 0.000 0.447 257 E N -0.242 119.971 120.200 0.022 0.000 2.160 257 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 257 E C 1.061 177.668 176.600 0.012 0.000 0.991 257 E CA 1.481 57.884 56.400 0.005 0.000 0.810 257 E CB -0.198 29.511 29.700 0.015 0.000 0.742 257 E HN 0.485 nan 8.360 nan 0.000 0.466 258 D N -0.880 119.570 120.400 0.083 0.000 2.097 258 D HA -0.108 4.532 4.640 -0.001 0.000 0.195 258 D C 1.841 178.093 176.300 -0.080 0.000 0.989 258 D CA 1.478 55.584 54.000 0.176 0.000 0.827 258 D CB -0.548 40.463 40.800 0.353 0.000 0.966 258 D HN 0.383 nan 8.370 nan 0.000 0.456 259 G N 0.809 109.401 108.800 -0.346 0.000 2.418 259 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 259 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 259 G C 1.756 176.367 174.900 -0.482 0.000 1.158 259 G CA 0.314 44.840 45.100 -0.957 0.000 0.771 259 G HN 0.214 nan 8.290 nan 0.000 0.545 260 R N 0.198 120.535 120.500 -0.273 0.000 2.096 260 R HA -0.051 4.288 4.340 -0.001 0.000 0.235 260 R C 2.927 179.075 176.300 -0.254 0.000 1.127 260 R CA 1.360 57.347 56.100 -0.187 0.000 0.968 260 R CB -0.415 29.838 30.300 -0.080 0.000 0.861 260 R HN 0.428 nan 8.270 nan 0.000 0.440 261 S N 0.973 116.560 115.700 -0.189 0.000 2.356 261 S HA -0.135 4.335 4.470 -0.001 0.000 0.223 261 S C 1.922 176.401 174.600 -0.203 0.000 1.032 261 S CA 1.109 59.228 58.200 -0.136 0.000 1.005 261 S CB -0.171 63.070 63.200 0.069 0.000 0.867 261 S HN 0.239 nan 8.310 nan 0.000 0.449 262 L N 1.526 122.516 121.223 -0.388 0.000 2.017 262 L HA 0.078 4.418 4.340 -0.001 0.000 0.208 262 L C 2.216 178.916 176.870 -0.284 0.000 1.073 262 L CA 1.926 56.424 54.840 -0.569 0.000 0.745 262 L CB -1.117 40.384 42.059 -0.930 0.000 0.894 262 L HN 0.474 nan 8.230 nan 0.000 0.432 263 L N -0.884 120.219 121.223 -0.199 0.000 2.042 263 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 263 L C 2.668 179.418 176.870 -0.200 0.000 1.076 263 L CA 2.189 56.971 54.840 -0.096 0.000 0.749 263 L CB -1.058 40.918 42.059 -0.138 0.000 0.893 263 L HN 0.475 nan 8.230 nan 0.000 0.432 264 S N -1.208 114.209 115.700 -0.471 0.000 2.382 264 S HA -0.236 4.234 4.470 -0.001 0.000 0.228 264 S C 1.931 176.140 174.600 -0.653 0.000 1.027 264 S CA 1.568 59.300 58.200 -0.781 0.000 0.991 264 S CB -0.242 62.354 63.200 -1.006 0.000 0.823 264 S HN 0.712 nan 8.310 nan 0.000 0.469 265 Q N -0.401 119.060 119.800 -0.565 0.000 2.297 265 Q HA 0.113 4.453 4.340 -0.001 0.000 0.204 265 Q C 1.983 177.733 176.000 -0.416 0.000 0.962 265 Q CA 0.953 56.350 55.803 -0.676 0.000 0.879 265 Q CB -0.099 28.477 28.738 -0.270 0.000 0.947 265 Q HN 0.605 nan 8.270 nan 0.000 0.462 266 M N -0.553 118.896 119.600 -0.252 0.000 2.514 266 M HA -0.024 4.456 4.480 -0.001 0.000 0.258 266 M C 0.517 176.733 176.300 -0.141 0.000 1.119 266 M CA 0.562 55.794 55.300 -0.112 0.000 1.111 266 M CB 0.487 33.056 32.600 -0.052 0.000 1.390 266 M HN 0.073 nan 8.290 nan 0.000 0.475 267 L N -0.715 120.365 121.223 -0.239 0.000 2.872 267 L HA 0.218 4.557 4.340 -0.001 0.000 0.245 267 L C -0.016 176.854 176.870 -0.001 0.000 1.211 267 L CA 0.085 54.733 54.840 -0.320 0.000 1.013 267 L CB -1.098 40.772 42.059 -0.315 0.000 1.326 267 L HN 0.151 nan 8.230 nan 0.000 0.525 268 H N -1.891 117.202 119.070 0.039 0.000 2.886 268 H HA -0.030 4.526 4.556 -0.001 0.000 0.329 268 H C 0.559 175.933 175.328 0.077 0.000 1.044 268 H CA -0.156 55.919 56.048 0.045 0.000 1.456 268 H CB 0.990 30.765 29.762 0.022 0.000 1.464 268 H HN 0.065 nan 8.280 nan 0.000 0.573 269 Y N 0.874 121.269 120.300 0.158 0.000 2.097 269 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 269 Y C 1.544 176.876 175.900 -0.946 0.000 1.152 269 Y CA 1.441 59.398 58.100 -0.239 0.000 1.136 269 Y CB -0.093 38.329 38.460 -0.064 0.000 0.975 269 Y HN 0.647 nan 8.280 nan 0.000 0.498 270 D N 0.677 120.711 120.400 -0.611 0.000 2.363 270 D HA 0.001 4.640 4.640 -0.001 0.000 0.263 270 D C -1.939 174.174 176.300 -0.312 0.000 1.258 270 D CA -1.574 51.976 54.000 -0.751 0.000 0.907 270 D CB 1.118 41.742 40.800 -0.292 0.000 1.107 270 D HN 0.066 nan 8.370 nan 0.000 0.495 271 P HA -0.141 nan 4.420 nan 0.000 0.217 271 P C 0.495 177.812 177.300 0.028 0.000 1.148 271 P CA 1.126 64.205 63.100 -0.036 0.000 0.828 271 P CB 0.279 32.004 31.700 0.042 0.000 0.783 272 N N -0.971 117.743 118.700 0.023 0.000 2.354 272 N HA -0.056 4.684 4.740 -0.001 0.000 0.179 272 N C 1.334 176.877 175.510 0.056 0.000 1.021 272 N CA 0.873 53.953 53.050 0.050 0.000 0.887 272 N CB -0.340 38.182 38.487 0.059 0.000 0.974 272 N HN 0.199 nan 8.380 nan 0.000 0.437 273 K N 0.100 120.527 120.400 0.046 0.000 2.400 273 K HA 0.103 4.423 4.320 -0.001 0.000 0.194 273 K C 0.375 177.111 176.600 0.226 0.000 1.033 273 K CA -0.108 56.232 56.287 0.087 0.000 1.021 273 K CB 0.394 32.876 32.500 -0.030 0.000 0.808 273 K HN 0.071 nan 8.250 nan 0.000 0.505 274 R N 2.241 122.846 120.500 0.176 0.000 2.449 274 R HA 0.106 4.446 4.340 -0.001 0.000 0.296 274 R C -0.012 176.364 176.300 0.126 0.000 1.047 274 R CA -0.074 56.127 56.100 0.169 0.000 1.018 274 R CB 0.217 30.607 30.300 0.149 0.000 0.962 274 R HN 0.109 nan 8.270 nan 0.000 0.428 275 I N 3.460 124.087 120.570 0.095 0.000 2.872 275 I HA -0.106 4.063 4.170 -0.001 0.000 0.291 275 I C 0.385 176.565 176.117 0.106 0.000 1.216 275 I CA 0.547 61.904 61.300 0.095 0.000 1.424 275 I CB 0.716 38.762 38.000 0.076 0.000 1.351 275 I HN 0.805 nan 8.210 nan 0.000 0.592 276 S N 5.687 121.453 115.700 0.110 0.000 2.645 276 S HA 0.446 4.916 4.470 -0.001 0.000 0.266 276 S C 0.983 175.664 174.600 0.135 0.000 1.258 276 S CA -0.226 58.048 58.200 0.124 0.000 0.990 276 S CB 1.604 64.869 63.200 0.107 0.000 0.967 276 S HN 0.804 nan 8.310 nan 0.000 0.556 277 A N 1.024 123.943 122.820 0.165 0.000 1.902 277 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 277 A C 2.170 179.788 177.584 0.057 0.000 1.181 277 A CA 1.748 53.851 52.037 0.109 0.000 0.623 277 A CB -0.941 18.117 19.000 0.097 0.000 0.818 277 A HN 0.928 nan 8.150 nan 0.000 0.443 278 K N -0.392 120.048 120.400 0.067 0.000 2.026 278 K HA -0.067 4.253 4.320 -0.001 0.000 0.208 278 K C 2.149 178.796 176.600 0.078 0.000 1.048 278 K CA 1.255 57.571 56.287 0.048 0.000 0.929 278 K CB -0.319 32.214 32.500 0.054 0.000 0.713 278 K HN 0.370 nan 8.250 nan 0.000 0.439 279 A N 0.797 123.678 122.820 0.101 0.000 1.930 279 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 279 A C 2.283 179.977 177.584 0.184 0.000 1.175 279 A CA 1.705 53.818 52.037 0.127 0.000 0.627 279 A CB -0.771 18.299 19.000 0.117 0.000 0.815 279 A HN 0.456 nan 8.150 nan 0.000 0.443 280 A N -0.138 122.793 122.820 0.184 0.000 1.978 280 A HA -0.077 4.242 4.320 -0.001 0.000 0.220 280 A C 2.073 179.904 177.584 0.411 0.000 1.170 280 A CA 1.485 53.682 52.037 0.266 0.000 0.636 280 A CB -0.597 18.523 19.000 0.201 0.000 0.810 280 A HN 0.490 nan 8.150 nan 0.000 0.448 281 L N -1.233 120.127 121.223 0.228 0.000 2.275 281 L HA -0.128 4.212 4.340 -0.001 0.000 0.215 281 L C 2.613 179.717 176.870 0.390 0.000 1.119 281 L CA 0.828 55.781 54.840 0.188 0.000 0.790 281 L CB -0.291 41.724 42.059 -0.074 0.000 0.919 281 L HN 0.442 nan 8.230 nan 0.000 0.443 282 A N -2.370 120.640 122.820 0.315 0.000 2.275 282 A HA -0.022 4.297 4.320 -0.001 0.000 0.212 282 A C 0.867 178.622 177.584 0.286 0.000 1.201 282 A CA -0.199 51.997 52.037 0.265 0.000 0.843 282 A CB -0.524 18.575 19.000 0.165 0.000 0.873 282 A HN 0.281 nan 8.150 nan 0.000 0.492 283 H N 0.792 120.038 119.070 0.294 0.000 2.897 283 H HA 0.088 4.644 4.556 -0.001 0.000 0.347 283 H C -1.836 173.589 175.328 0.162 0.000 1.068 283 H CA -1.039 55.127 56.048 0.198 0.000 1.426 283 H CB 1.145 31.009 29.762 0.170 0.000 1.410 283 H HN 0.009 nan 8.280 nan 0.000 0.597 284 P HA -0.150 nan 4.420 nan 0.000 0.226 284 P C 1.219 178.615 177.300 0.159 0.000 1.146 284 P CA 0.699 63.815 63.100 0.027 0.000 0.773 284 P CB -0.187 31.457 31.700 -0.093 0.000 0.772 285 F N -0.610 119.436 119.950 0.160 0.000 2.269 285 F HA -0.075 4.452 4.527 -0.000 0.000 0.301 285 F C 1.231 176.836 175.800 -0.325 0.000 1.082 285 F CA 1.180 59.085 58.000 -0.158 0.000 1.360 285 F CB -0.451 38.279 39.000 -0.449 0.000 1.041 285 F HN -0.175 nan 8.300 nan 0.000 0.512 286 F N -0.310 119.676 119.950 0.059 0.000 2.660 286 F HA 0.175 4.702 4.527 -0.001 0.000 0.302 286 F C 2.040 177.738 175.800 -0.168 0.000 1.103 286 F CA -0.093 57.814 58.000 -0.154 0.000 1.340 286 F CB -0.921 38.086 39.000 0.011 0.000 1.048 286 F HN -0.043 nan 8.300 nan 0.000 0.551 287 Q N 1.449 121.259 119.800 0.018 0.000 2.135 287 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 287 Q C 1.133 177.095 176.000 -0.063 0.000 0.981 287 Q CA 1.848 57.648 55.803 -0.004 0.000 0.856 287 Q CB -0.228 28.509 28.738 -0.001 0.000 0.902 287 Q HN 0.417 nan 8.270 nan 0.000 0.425 288 D N -0.724 119.611 120.400 -0.109 0.000 2.895 288 D HA 0.046 4.686 4.640 -0.001 0.000 0.258 288 D C -0.417 175.782 176.300 -0.168 0.000 1.311 288 D CA -0.322 53.605 54.000 -0.122 0.000 0.843 288 D CB -0.277 40.459 40.800 -0.107 0.000 1.055 288 D HN 0.078 nan 8.370 nan 0.000 0.486 289 V N 1.333 121.124 119.914 -0.205 0.000 2.686 289 V HA 0.494 4.614 4.120 -0.001 0.000 0.295 289 V C 0.282 176.236 176.094 -0.233 0.000 1.055 289 V CA 0.481 62.625 62.300 -0.260 0.000 1.050 289 V CB 1.136 32.690 31.823 -0.449 0.000 0.984 289 V HN 0.608 nan 8.190 nan 0.000 0.482 290 T N 3.115 117.559 114.554 -0.183 0.000 2.669 290 T HA 0.520 4.869 4.350 -0.001 0.000 0.283 290 T C -0.672 173.963 174.700 -0.109 0.000 1.019 290 T CA -0.876 61.144 62.100 -0.133 0.000 1.039 290 T CB 1.623 70.432 68.868 -0.098 0.000 1.374 290 T HN 0.658 nan 8.240 nan 0.000 0.523 291 K N 1.766 122.122 120.400 -0.074 0.000 2.646 291 K HA 0.493 4.813 4.320 -0.001 0.000 0.210 291 K C -2.698 173.872 176.600 -0.050 0.000 1.020 291 K CA -1.530 54.727 56.287 -0.050 0.000 1.040 291 K CB 0.554 33.041 32.500 -0.023 0.000 1.253 291 K HN 0.410 nan 8.250 nan 0.000 0.532 292 P HA 0.128 nan 4.420 nan 0.000 0.277 292 P C -1.063 176.208 177.300 -0.047 0.000 1.276 292 P CA -0.729 62.336 63.100 -0.058 0.000 0.788 292 P CB 0.738 32.394 31.700 -0.073 0.000 1.114 293 V N 1.673 121.572 119.914 -0.024 0.000 2.459 293 V HA 0.381 4.501 4.120 -0.001 0.000 0.295 293 V C -1.933 174.169 176.094 0.014 0.000 1.029 293 V CA -1.457 60.839 62.300 -0.007 0.000 0.874 293 V CB 1.052 32.880 31.823 0.008 0.000 0.985 293 V HN 0.639 nan 8.190 nan 0.000 0.438 294 P HA 0.223 nan 4.420 nan 0.000 0.277 294 P C -0.954 176.420 177.300 0.123 0.000 1.240 294 P CA -0.300 62.821 63.100 0.036 0.000 0.798 294 P CB 0.792 32.383 31.700 -0.182 0.000 0.979 295 H N 2.511 121.669 119.070 0.146 0.000 2.726 295 H HA 0.355 4.910 4.556 -0.001 0.000 0.244 295 H C -0.368 175.066 175.328 0.178 0.000 1.669 295 H CA -0.324 55.800 56.048 0.127 0.000 1.293 295 H CB -1.191 28.643 29.762 0.120 0.000 1.640 295 H HN 0.204 nan 8.280 nan 0.000 0.553 296 L N 2.950 124.112 121.223 -0.103 0.000 2.395 296 L HA 0.394 4.734 4.340 -0.001 0.000 0.269 296 L C 0.385 177.142 176.870 -0.189 0.000 1.133 296 L CA -0.733 54.049 54.840 -0.098 0.000 0.812 296 L CB 0.802 42.810 42.059 -0.085 0.000 1.125 296 L HN 0.391 nan 8.230 nan 0.000 0.452 297 R N 2.518 122.962 120.500 -0.093 0.000 2.393 297 R HA 0.672 5.011 4.340 -0.001 0.000 0.315 297 R C -1.161 175.143 176.300 0.005 0.000 0.952 297 R CA -0.185 55.873 56.100 -0.071 0.000 0.842 297 R CB 0.814 31.084 30.300 -0.050 0.000 1.163 297 R HN 0.501 nan 8.270 nan 0.000 0.450 298 L N 0.000 121.232 121.223 0.015 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 298 L CA 0.000 54.884 54.840 0.073 0.000 0.813 298 L CB 0.000 42.108 42.059 0.082 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502