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 2b5t_1_I DATA FIRST_RESID 6 DATA SEQUENCE DIcTAKPRDI PMNPMcIYRS PEXXXXXXXX XXXKIPEATN RRVWELSKAN DATA SEQUENCE SRFATTFYQH LADSKNDNDN IFLSPLSIST AFAMTKLGAc NDTLQQLMEV DATA SEQUENCE FKFDTISEKT SDQIHFFFAK LNcRLYRKAN KASKLVSANR LFGDKSLTFN DATA SEQUENCE ETYQDISELV YGAKLQPLDF KENAEQSRAA INKWVSNKTE GRITDVIPSE DATA SEQUENCE AINELTVLVL VNTIYFKGLW KSKFSPENTR KELFYKADGE ScSASMMYQE DATA SEQUENCE GKFRYRRVAE GTQVLELPFK GDDITMVLIL PKPEKSLAKV EKELTPEVLQ DATA SEQUENCE EWLDELEEMM LcVHMPRFRI EDGFSLKEQL QDMGLVDLFS PEKSKLPGIV DATA SEQUENCE AEGRDDLYVS DAFHKAFLEV NEEGSEAAAS TAVVIAGRSL NPNRVcFKAN DATA SEQUENCE RPFLVFIREV PLNTIIFMGR VANPcV 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.294 176.300 -0.010 0.000 2.045 6 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 6 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 7 I N -0.413 120.136 120.570 -0.034 0.000 2.584 7 I HA -0.011 4.158 4.170 -0.001 0.000 0.255 7 I C 2.315 178.376 176.117 -0.094 0.000 1.145 7 I CA 0.144 61.407 61.300 -0.061 0.000 1.462 7 I CB -0.508 37.410 38.000 -0.137 0.000 1.102 7 I HN 0.231 nan 8.210 nan 0.000 0.433 8 c N 1.811 120.366 118.600 -0.075 0.000 2.409 8 c HA -0.093 4.476 4.570 -0.001 0.000 0.284 8 c C 2.770 176.844 174.090 -0.026 0.000 1.354 8 c CA 1.757 58.048 56.329 -0.062 0.000 1.787 8 c CB -1.573 40.917 42.510 -0.034 0.000 1.900 8 c HN 0.737 nan 8.230 nan 0.000 0.520 9 T N -2.353 112.197 114.554 -0.005 0.000 2.971 9 T HA 0.444 4.793 4.350 -0.001 0.000 0.252 9 T C 0.750 175.477 174.700 0.045 0.000 1.022 9 T CA 0.626 62.737 62.100 0.018 0.000 0.980 9 T CB -0.057 68.818 68.868 0.013 0.000 1.044 9 T HN 0.411 nan 8.240 nan 0.000 0.501 10 A N 1.897 124.755 122.820 0.063 0.000 2.366 10 A HA 0.559 4.878 4.320 -0.001 0.000 0.250 10 A C 0.201 177.912 177.584 0.212 0.000 1.099 10 A CA -0.254 51.851 52.037 0.113 0.000 0.794 10 A CB 0.320 19.403 19.000 0.139 0.000 1.056 10 A HN 0.453 nan 8.150 nan 0.000 0.499 11 K N 0.078 120.547 120.400 0.116 0.000 2.395 11 K HA 0.365 4.685 4.320 -0.001 0.000 0.247 11 K C -2.307 174.052 176.600 -0.402 0.000 0.973 11 K CA -1.785 54.511 56.287 0.016 0.000 0.828 11 K CB 1.626 34.119 32.500 -0.011 0.000 1.272 11 K HN 0.214 nan 8.250 nan 0.000 0.439 12 P HA -0.271 nan 4.420 nan 0.000 0.218 12 P C 0.860 177.830 177.300 -0.551 0.000 1.154 12 P CA 1.704 64.183 63.100 -1.037 0.000 0.872 12 P CB 0.140 31.476 31.700 -0.607 0.000 0.790 13 R N -1.965 118.351 120.500 -0.306 0.000 2.246 13 R HA 0.066 4.406 4.340 -0.001 0.000 0.199 13 R C 1.820 178.029 176.300 -0.151 0.000 0.984 13 R CA 1.277 57.264 56.100 -0.189 0.000 1.015 13 R CB -1.558 28.672 30.300 -0.116 0.000 0.930 13 R HN 0.127 nan 8.270 nan 0.000 0.475 14 D N 2.170 122.479 120.400 -0.152 0.000 2.265 14 D HA 0.032 4.672 4.640 -0.001 0.000 0.208 14 D C 0.878 177.125 176.300 -0.089 0.000 0.977 14 D CA 1.116 55.061 54.000 -0.091 0.000 0.871 14 D CB -0.157 40.610 40.800 -0.055 0.000 0.925 14 D HN 0.389 nan 8.370 nan 0.000 0.485 15 I N -0.290 120.201 120.570 -0.132 0.000 2.576 15 I HA 0.257 4.426 4.170 -0.001 0.000 0.279 15 I C -2.786 173.259 176.117 -0.121 0.000 1.114 15 I CA -1.744 59.496 61.300 -0.101 0.000 1.076 15 I CB 2.507 40.467 38.000 -0.068 0.000 1.212 15 I HN -0.164 nan 8.210 nan 0.000 0.472 16 P HA 0.113 nan 4.420 nan 0.000 0.260 16 P C 0.408 177.671 177.300 -0.062 0.000 1.185 16 P CA 0.484 63.537 63.100 -0.079 0.000 0.763 16 P CB 0.704 32.370 31.700 -0.056 0.000 0.776 17 M N 1.773 121.345 119.600 -0.048 0.000 3.119 17 M HA 0.240 4.719 4.480 -0.001 0.000 0.160 17 M C 0.135 176.430 176.300 -0.007 0.000 1.675 17 M CA 0.642 55.932 55.300 -0.015 0.000 1.577 17 M CB -1.271 31.396 32.600 0.111 0.000 0.826 17 M HN 0.454 nan 8.290 nan 0.000 0.549 18 N N 1.648 120.373 118.700 0.042 0.000 3.734 18 N HA -0.075 4.665 4.740 -0.001 0.000 0.293 18 N C -2.859 172.664 175.510 0.022 0.000 2.048 18 N CA 0.217 53.294 53.050 0.044 0.000 2.515 18 N CB -0.860 37.637 38.487 0.017 0.000 0.580 18 N HN 0.748 nan 8.380 nan 0.000 0.627 19 P HA -0.049 nan 4.420 nan 0.000 0.275 19 P C 0.377 177.701 177.300 0.040 0.000 1.266 19 P CA -0.375 62.744 63.100 0.031 0.000 0.793 19 P CB 0.675 32.414 31.700 0.066 0.000 1.074 20 M N -0.569 119.057 119.600 0.044 0.000 2.349 20 M HA 0.029 4.509 4.480 -0.001 0.000 0.266 20 M C -0.316 176.012 176.300 0.047 0.000 1.076 20 M CA 1.362 56.685 55.300 0.039 0.000 1.126 20 M CB 0.064 32.686 32.600 0.036 0.000 1.392 20 M HN 0.221 nan 8.290 nan 0.000 0.440 21 c N 0.835 119.472 118.600 0.063 0.000 2.797 21 c HA 0.635 5.205 4.570 -0.001 0.000 0.306 21 c C -0.141 174.010 174.090 0.102 0.000 1.207 21 c CA -1.451 54.923 56.329 0.076 0.000 1.507 21 c CB 1.536 44.095 42.510 0.082 0.000 2.028 21 c HN 0.529 nan 8.230 nan 0.000 0.475 22 I N 0.028 120.663 120.570 0.107 0.000 2.957 22 I HA 0.772 4.942 4.170 -0.001 0.000 0.310 22 I C -1.443 174.784 176.117 0.182 0.000 1.063 22 I CA -0.768 60.614 61.300 0.138 0.000 1.033 22 I CB 1.903 39.963 38.000 0.100 0.000 1.230 22 I HN 0.684 nan 8.210 nan 0.000 0.447 23 Y N 2.307 122.651 120.300 0.073 0.000 2.485 23 Y HA 0.710 5.259 4.550 -0.001 0.000 0.345 23 Y C -1.145 174.795 175.900 0.066 0.000 0.998 23 Y CA -0.791 57.353 58.100 0.074 0.000 1.059 23 Y CB 1.574 40.091 38.460 0.096 0.000 1.234 23 Y HN 0.526 nan 8.280 nan 0.000 0.461 24 R N 2.935 123.021 120.500 -0.691 0.000 2.574 24 R HA 0.322 4.662 4.340 -0.001 0.000 0.288 24 R C -1.074 174.852 176.300 -0.625 0.000 1.004 24 R CA -0.854 55.004 56.100 -0.402 0.000 0.895 24 R CB 1.591 31.761 30.300 -0.217 0.000 1.191 24 R HN 0.840 nan 8.270 nan 0.000 0.444 25 S N 1.656 117.254 115.700 -0.170 0.000 2.565 25 S HA 0.252 4.722 4.470 -0.001 0.000 0.276 25 S C -1.474 173.094 174.600 -0.053 0.000 1.326 25 S CA -0.817 57.376 58.200 -0.011 0.000 1.045 25 S CB 1.133 64.429 63.200 0.159 0.000 0.918 25 S HN 0.322 nan 8.310 nan 0.000 0.505 26 P HA -0.054 nan 4.420 nan 0.000 0.218 26 P C 0.459 177.755 177.300 -0.007 0.000 1.146 26 P CA 1.324 64.409 63.100 -0.024 0.000 0.820 26 P CB 0.015 31.717 31.700 0.003 0.000 0.778 40 I N 2.758 122.990 120.570 -0.562 0.000 2.496 40 I HA 0.388 4.557 4.170 -0.001 0.000 0.285 40 I C -1.983 173.649 176.117 -0.808 0.000 1.080 40 I CA -1.747 58.753 61.300 -1.334 0.000 1.404 40 I CB 1.470 38.937 38.000 -0.889 0.000 1.403 40 I HN 0.445 nan 8.210 nan 0.000 0.539 41 P HA 0.043 nan 4.420 nan 0.000 0.264 41 P C -0.533 176.585 177.300 -0.304 0.000 1.179 41 P CA 0.297 63.135 63.100 -0.437 0.000 0.763 41 P CB 0.294 31.765 31.700 -0.381 0.000 0.806 42 E N 2.240 122.330 120.200 -0.184 0.000 2.383 42 E HA 0.427 4.776 4.350 -0.001 0.000 0.264 42 E C 1.055 177.595 176.600 -0.100 0.000 1.050 42 E CA -0.040 56.284 56.400 -0.127 0.000 0.896 42 E CB -0.288 29.360 29.700 -0.085 0.000 0.982 42 E HN 0.746 nan 8.360 nan 0.000 0.424 43 A N 1.414 124.189 122.820 -0.076 0.000 2.860 43 A HA -0.106 4.214 4.320 -0.001 0.000 0.267 43 A C 0.710 178.264 177.584 -0.050 0.000 1.421 43 A CA 1.280 53.288 52.037 -0.049 0.000 0.831 43 A CB -2.165 16.815 19.000 -0.033 0.000 1.041 43 A HN 1.140 nan 8.150 nan 0.000 0.623 44 T N 0.891 115.396 114.554 -0.083 0.000 2.824 44 T HA 0.447 4.796 4.350 -0.001 0.000 0.282 44 T C -0.068 174.600 174.700 -0.054 0.000 0.993 44 T CA -0.451 61.602 62.100 -0.077 0.000 0.967 44 T CB 1.124 69.896 68.868 -0.161 0.000 0.960 44 T HN 0.522 nan 8.240 nan 0.000 0.441 45 N N 1.877 120.579 118.700 0.004 0.000 2.497 45 N HA 0.053 4.793 4.740 -0.001 0.000 0.268 45 N C 1.240 176.772 175.510 0.038 0.000 1.171 45 N CA -0.193 52.877 53.050 0.033 0.000 0.948 45 N CB 1.061 39.599 38.487 0.086 0.000 1.069 45 N HN 0.489 nan 8.380 nan 0.000 0.460 46 R N 3.883 124.400 120.500 0.028 0.000 2.103 46 R HA -0.063 4.276 4.340 -0.001 0.000 0.242 46 R C 1.787 178.104 176.300 0.028 0.000 1.142 46 R CA 1.668 57.810 56.100 0.069 0.000 0.960 46 R CB -0.040 30.284 30.300 0.040 0.000 0.858 46 R HN 0.596 nan 8.270 nan 0.000 0.439 47 R N -0.265 120.154 120.500 -0.134 0.000 2.073 47 R HA -0.067 4.273 4.340 -0.001 0.000 0.234 47 R C 2.252 178.360 176.300 -0.321 0.000 1.134 47 R CA 1.649 57.495 56.100 -0.423 0.000 0.952 47 R CB -0.887 28.769 30.300 -1.074 0.000 0.850 47 R HN 0.201 nan 8.270 nan 0.000 0.433 48 V N -0.211 119.628 119.914 -0.125 0.000 2.515 48 V HA -0.211 3.909 4.120 -0.001 0.000 0.250 48 V C 1.988 178.121 176.094 0.066 0.000 1.058 48 V CA 1.348 63.637 62.300 -0.018 0.000 1.064 48 V CB -0.548 31.317 31.823 0.070 0.000 0.675 48 V HN 0.364 nan 8.190 nan 0.000 0.461 49 W N 1.740 122.981 121.300 -0.098 0.000 2.379 49 W HA -0.182 4.479 4.660 0.002 0.000 0.307 49 W C 2.642 179.119 176.519 -0.069 0.000 1.200 49 W CA 1.914 59.220 57.345 -0.065 0.000 1.297 49 W CB -0.388 29.042 29.460 -0.049 0.000 1.140 49 W HN 0.571 nan 8.180 nan 0.000 0.507 50 E N -0.398 119.765 120.200 -0.062 0.000 2.110 50 E HA -0.262 4.087 4.350 -0.001 0.000 0.193 50 E C 2.065 178.563 176.600 -0.171 0.000 0.988 50 E CA 1.568 57.846 56.400 -0.203 0.000 0.804 50 E CB -1.150 28.471 29.700 -0.132 0.000 0.745 50 E HN 0.280 nan 8.360 nan 0.000 0.458 51 L N 1.377 122.504 121.223 -0.160 0.000 2.141 51 L HA -0.089 4.250 4.340 -0.001 0.000 0.209 51 L C 2.500 179.310 176.870 -0.099 0.000 1.094 51 L CA 1.901 56.639 54.840 -0.170 0.000 0.763 51 L CB -0.587 41.271 42.059 -0.335 0.000 0.908 51 L HN 0.239 nan 8.230 nan 0.000 0.437 52 S N -0.956 114.692 115.700 -0.086 0.000 2.383 52 S HA -0.183 4.287 4.470 -0.001 0.000 0.227 52 S C 2.047 176.615 174.600 -0.053 0.000 1.026 52 S CA 1.264 59.450 58.200 -0.023 0.000 0.981 52 S CB -0.133 63.084 63.200 0.028 0.000 0.818 52 S HN 0.518 nan 8.310 nan 0.000 0.472 53 K N 0.873 121.165 120.400 -0.180 0.000 2.097 53 K HA 0.027 4.347 4.320 -0.001 0.000 0.206 53 K C 2.388 178.949 176.600 -0.064 0.000 1.049 53 K CA 1.119 57.285 56.287 -0.200 0.000 0.933 53 K CB -0.353 31.925 32.500 -0.370 0.000 0.717 53 K HN 0.424 nan 8.250 nan 0.000 0.442 54 A N 1.903 124.718 122.820 -0.008 0.000 1.877 54 A HA -0.253 4.066 4.320 -0.001 0.000 0.216 54 A C 1.958 179.637 177.584 0.158 0.000 1.186 54 A CA 2.051 54.144 52.037 0.093 0.000 0.620 54 A CB -0.801 18.318 19.000 0.200 0.000 0.822 54 A HN 0.376 nan 8.150 nan 0.000 0.443 55 N N -0.007 118.813 118.700 0.199 0.000 2.205 55 N HA -0.122 4.617 4.740 -0.001 0.000 0.186 55 N C 1.678 177.335 175.510 0.244 0.000 1.015 55 N CA 1.857 55.074 53.050 0.277 0.000 0.862 55 N CB -0.226 38.428 38.487 0.279 0.000 0.986 55 N HN 0.328 nan 8.380 nan 0.000 0.429 56 S N -0.292 115.487 115.700 0.132 0.000 2.406 56 S HA 0.048 4.517 4.470 -0.001 0.000 0.228 56 S C 1.737 176.383 174.600 0.077 0.000 1.020 56 S CA 0.544 58.797 58.200 0.090 0.000 0.965 56 S CB -0.075 63.137 63.200 0.019 0.000 0.798 56 S HN 0.410 nan 8.310 nan 0.000 0.488 57 R N -0.204 120.342 120.500 0.076 0.000 2.115 57 R HA 0.031 4.370 4.340 -0.001 0.000 0.226 57 R C 2.017 178.371 176.300 0.089 0.000 1.100 57 R CA 1.022 57.153 56.100 0.052 0.000 0.980 57 R CB -0.376 29.944 30.300 0.033 0.000 0.875 57 R HN 0.443 nan 8.270 nan 0.000 0.445 58 F N 1.930 121.890 119.950 0.016 0.000 2.113 58 F HA -0.097 4.429 4.527 -0.001 0.000 0.297 58 F C 2.267 178.116 175.800 0.083 0.000 1.103 58 F CA 1.090 59.098 58.000 0.014 0.000 1.248 58 F CB -0.546 38.473 39.000 0.032 0.000 0.999 58 F HN -0.037 nan 8.300 nan 0.000 0.475 59 A N 0.488 123.302 122.820 -0.010 0.000 1.869 59 A HA -0.343 3.976 4.320 -0.001 0.000 0.218 59 A C 2.353 179.931 177.584 -0.010 0.000 1.203 59 A CA 3.584 55.595 52.037 -0.043 0.000 0.638 59 A CB -1.829 17.244 19.000 0.123 0.000 0.831 59 A HN 0.599 nan 8.150 nan 0.000 0.450 60 T N -3.294 111.283 114.554 0.037 0.000 2.652 60 T HA -0.177 4.173 4.350 -0.001 0.000 0.267 60 T C 1.834 176.560 174.700 0.044 0.000 1.039 60 T CA 2.331 64.477 62.100 0.077 0.000 1.153 60 T CB -1.300 67.590 68.868 0.037 0.000 0.863 60 T HN 0.362 nan 8.240 nan 0.000 0.428 61 T N 1.285 115.809 114.554 -0.049 0.000 2.652 61 T HA -0.024 4.325 4.350 -0.001 0.000 0.267 61 T C 1.369 175.972 174.700 -0.162 0.000 1.039 61 T CA 1.568 63.612 62.100 -0.094 0.000 1.153 61 T CB -0.721 68.083 68.868 -0.107 0.000 0.863 61 T HN 0.424 nan 8.240 nan 0.000 0.428 62 F N 0.407 120.059 119.950 -0.498 0.000 2.216 62 F HA -0.078 4.448 4.527 -0.001 0.000 0.300 62 F C 2.067 177.682 175.800 -0.308 0.000 1.085 62 F CA 0.826 58.494 58.000 -0.554 0.000 1.326 62 F CB -0.360 38.019 39.000 -1.035 0.000 1.027 62 F HN 0.205 nan 8.300 nan 0.000 0.497 63 Y N 1.021 121.273 120.300 -0.080 0.000 2.109 63 Y HA -0.232 4.317 4.550 -0.001 0.000 0.285 63 Y C 2.536 178.363 175.900 -0.123 0.000 1.131 63 Y CA 2.157 60.219 58.100 -0.063 0.000 1.121 63 Y CB -0.762 37.698 38.460 -0.000 0.000 0.987 63 Y HN 0.113 nan 8.280 nan 0.000 0.495 64 Q N -0.881 118.914 119.800 -0.008 0.000 2.077 64 Q HA -0.320 4.020 4.340 -0.001 0.000 0.206 64 Q C 2.283 178.140 176.000 -0.239 0.000 0.989 64 Q CA 1.831 57.585 55.803 -0.080 0.000 0.853 64 Q CB -0.592 28.150 28.738 0.006 0.000 0.907 64 Q HN 0.610 nan 8.270 nan 0.000 0.418 65 H N 0.645 119.509 119.070 -0.343 0.000 2.352 65 H HA -0.143 4.413 4.556 -0.001 0.000 0.299 65 H C 2.055 177.085 175.328 -0.497 0.000 1.097 65 H CA 1.502 57.310 56.048 -0.401 0.000 1.311 65 H CB 0.061 29.545 29.762 -0.463 0.000 1.377 65 H HN 0.236 nan 8.280 nan 0.000 0.504 66 L N 1.076 121.973 121.223 -0.543 0.000 2.093 66 L HA 0.023 4.362 4.340 -0.001 0.000 0.208 66 L C 2.649 179.209 176.870 -0.518 0.000 1.085 66 L CA 1.941 56.416 54.840 -0.607 0.000 0.755 66 L CB -1.139 40.472 42.059 -0.747 0.000 0.904 66 L HN 0.267 nan 8.230 nan 0.000 0.435 67 A N -0.667 121.812 122.820 -0.569 0.000 1.933 67 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 67 A C 1.892 179.299 177.584 -0.294 0.000 1.175 67 A CA 1.750 53.533 52.037 -0.423 0.000 0.628 67 A CB -0.807 17.939 19.000 -0.425 0.000 0.814 67 A HN 0.521 nan 8.150 nan 0.000 0.444 68 D N -0.122 120.083 120.400 -0.326 0.000 2.264 68 D HA -0.089 4.550 4.640 -0.001 0.000 0.208 68 D C 2.064 178.195 176.300 -0.282 0.000 0.966 68 D CA 1.516 55.349 54.000 -0.278 0.000 0.864 68 D CB -0.204 40.409 40.800 -0.311 0.000 0.933 68 D HN 0.577 nan 8.370 nan 0.000 0.499 69 S N -1.271 114.224 115.700 -0.341 0.000 2.575 69 S HA 0.127 4.596 4.470 -0.001 0.000 0.215 69 S C 0.696 175.190 174.600 -0.175 0.000 0.966 69 S CA -0.266 57.772 58.200 -0.269 0.000 0.911 69 S CB 0.397 63.410 63.200 -0.312 0.000 0.780 69 S HN -0.026 nan 8.310 nan 0.000 0.514 70 K N 0.793 121.095 120.400 -0.164 0.000 2.349 70 K HA 0.365 4.684 4.320 -0.001 0.000 0.243 70 K C -1.052 175.503 176.600 -0.075 0.000 1.058 70 K CA -1.012 55.215 56.287 -0.101 0.000 0.871 70 K CB 0.574 33.020 32.500 -0.091 0.000 1.337 70 K HN 0.018 nan 8.250 nan 0.000 0.469 71 N N 1.558 120.233 118.700 -0.042 0.000 2.458 71 N HA -0.000 4.739 4.740 -0.001 0.000 0.270 71 N C -0.454 175.044 175.510 -0.019 0.000 1.102 71 N CA 0.268 53.302 53.050 -0.026 0.000 0.967 71 N CB 1.002 39.483 38.487 -0.010 0.000 1.078 71 N HN 0.435 nan 8.380 nan 0.000 0.471 72 D N 1.808 122.198 120.400 -0.016 0.000 2.417 72 D HA -0.108 4.532 4.640 -0.001 0.000 0.225 72 D C 0.563 176.874 176.300 0.019 0.000 0.983 72 D CA 0.939 54.938 54.000 -0.001 0.000 0.949 72 D CB 0.186 40.988 40.800 0.004 0.000 0.879 72 D HN 0.508 nan 8.370 nan 0.000 0.520 73 N N 0.339 119.051 118.700 0.019 0.000 2.254 73 N HA -0.013 4.727 4.740 -0.001 0.000 0.190 73 N C -0.292 175.231 175.510 0.022 0.000 1.107 73 N CA 0.144 53.214 53.050 0.033 0.000 0.869 73 N CB 0.622 39.130 38.487 0.034 0.000 0.983 73 N HN 0.188 nan 8.380 nan 0.000 0.487 74 D N 1.326 121.735 120.400 0.014 0.000 2.304 74 D HA 0.142 4.781 4.640 -0.001 0.000 0.247 74 D C 0.208 176.517 176.300 0.015 0.000 1.089 74 D CA 0.025 54.035 54.000 0.017 0.000 0.910 74 D CB 0.778 41.592 40.800 0.024 0.000 1.199 74 D HN -0.086 nan 8.370 nan 0.000 0.426 75 N N 0.885 119.597 118.700 0.020 0.000 2.529 75 N HA 0.345 5.085 4.740 -0.001 0.000 0.278 75 N C -0.158 175.415 175.510 0.104 0.000 1.146 75 N CA -0.127 52.934 53.050 0.020 0.000 0.980 75 N CB 1.380 39.865 38.487 -0.003 0.000 1.124 75 N HN 0.323 nan 8.380 nan 0.000 0.458 76 I N 1.371 122.028 120.570 0.146 0.000 2.569 76 I HA 0.474 4.644 4.170 -0.001 0.000 0.296 76 I C -1.068 175.301 176.117 0.420 0.000 1.028 76 I CA -0.779 60.667 61.300 0.244 0.000 1.082 76 I CB 1.641 39.727 38.000 0.144 0.000 1.264 76 I HN 0.299 nan 8.210 nan 0.000 0.429 77 F N 7.285 127.420 119.950 0.307 0.000 2.635 77 F HA 0.726 5.253 4.527 -0.001 0.000 0.314 77 F C -1.812 174.267 175.800 0.465 0.000 1.119 77 F CA -0.717 57.481 58.000 0.329 0.000 1.000 77 F CB 1.568 40.728 39.000 0.266 0.000 1.278 77 F HN 0.287 nan 8.300 nan 0.000 0.446 78 L N 1.861 122.872 121.223 -0.353 0.000 2.775 78 L HA 0.740 5.079 4.340 -0.001 0.000 0.263 78 L C -1.551 175.194 176.870 -0.210 0.000 1.017 78 L CA -0.832 53.960 54.840 -0.079 0.000 0.891 78 L CB 1.859 44.085 42.059 0.278 0.000 1.482 78 L HN 0.477 nan 8.230 nan 0.000 0.410 79 S N 1.417 117.092 115.700 -0.042 0.000 2.528 79 S HA 0.541 5.010 4.470 -0.001 0.000 0.303 79 S C -1.627 172.949 174.600 -0.039 0.000 1.123 79 S CA -1.375 56.761 58.200 -0.106 0.000 1.138 79 S CB 0.731 63.839 63.200 -0.153 0.000 0.984 79 S HN 0.672 nan 8.310 nan 0.000 0.474 80 P HA -0.137 nan 4.420 nan 0.000 0.215 80 P C 1.654 179.057 177.300 0.172 0.000 1.153 80 P CA 0.575 63.778 63.100 0.171 0.000 0.853 80 P CB 0.093 31.915 31.700 0.203 0.000 0.788 81 L N 0.391 121.654 121.223 0.068 0.000 2.012 81 L HA -0.136 4.203 4.340 -0.001 0.000 0.210 81 L C 2.737 179.619 176.870 0.020 0.000 1.073 81 L CA 2.202 57.085 54.840 0.073 0.000 0.748 81 L CB -1.713 40.349 42.059 0.004 0.000 0.891 81 L HN -0.049 nan 8.230 nan 0.000 0.431 82 S N -0.760 114.925 115.700 -0.025 0.000 2.356 82 S HA -0.172 4.298 4.470 -0.001 0.000 0.223 82 S C 2.043 176.636 174.600 -0.011 0.000 1.032 82 S CA 1.690 59.881 58.200 -0.016 0.000 1.005 82 S CB -0.427 62.783 63.200 0.017 0.000 0.867 82 S HN 0.492 nan 8.310 nan 0.000 0.449 83 I N 0.942 121.542 120.570 0.050 0.000 2.179 83 I HA -0.148 4.021 4.170 -0.001 0.000 0.242 83 I C 2.670 178.759 176.117 -0.047 0.000 1.088 83 I CA 1.268 62.642 61.300 0.123 0.000 1.357 83 I CB -0.591 37.512 38.000 0.171 0.000 1.051 83 I HN 0.279 nan 8.210 nan 0.000 0.409 84 S N 0.262 115.846 115.700 -0.192 0.000 2.356 84 S HA -0.184 4.285 4.470 -0.001 0.000 0.223 84 S C 2.075 176.314 174.600 -0.602 0.000 1.032 84 S CA 2.047 59.990 58.200 -0.429 0.000 1.005 84 S CB -0.447 62.745 63.200 -0.014 0.000 0.867 84 S HN 0.460 nan 8.310 nan 0.000 0.449 85 T N 2.483 116.651 114.554 -0.642 0.000 2.652 85 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 85 T C 2.138 176.414 174.700 -0.707 0.000 1.039 85 T CA 1.438 62.922 62.100 -1.027 0.000 1.153 85 T CB -0.628 67.957 68.868 -0.473 0.000 0.863 85 T HN 0.472 nan 8.240 nan 0.000 0.428 86 A N 0.784 123.339 122.820 -0.440 0.000 1.877 86 A HA -0.009 4.311 4.320 -0.001 0.000 0.216 86 A C 1.994 179.272 177.584 -0.511 0.000 1.186 86 A CA 1.402 53.179 52.037 -0.434 0.000 0.620 86 A CB -1.080 17.742 19.000 -0.297 0.000 0.822 86 A HN 0.483 nan 8.150 nan 0.000 0.443 87 F N 0.110 119.788 119.950 -0.454 0.000 2.365 87 F HA -0.016 4.510 4.527 -0.001 0.000 0.300 87 F C 2.557 178.121 175.800 -0.394 0.000 1.090 87 F CA 0.782 58.514 58.000 -0.447 0.000 1.408 87 F CB -0.095 38.478 39.000 -0.711 0.000 1.060 87 F HN 0.262 nan 8.300 nan 0.000 0.534 88 A N -0.626 122.000 122.820 -0.325 0.000 2.119 88 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 88 A C 2.115 179.650 177.584 -0.081 0.000 1.153 88 A CA 0.894 52.825 52.037 -0.176 0.000 0.692 88 A CB -0.650 18.146 19.000 -0.341 0.000 0.799 88 A HN 0.361 nan 8.150 nan 0.000 0.458 89 M N -0.229 119.222 119.600 -0.249 0.000 2.319 89 M HA -0.099 4.381 4.480 -0.001 0.000 0.265 89 M C 2.283 178.599 176.300 0.026 0.000 1.068 89 M CA 1.777 56.949 55.300 -0.214 0.000 1.118 89 M CB -0.348 31.867 32.600 -0.642 0.000 1.395 89 M HN 0.651 nan 8.290 nan 0.000 0.435 90 T N -1.932 112.586 114.554 -0.059 0.000 2.978 90 T HA -0.031 4.318 4.350 -0.001 0.000 0.262 90 T C 1.866 176.602 174.700 0.060 0.000 1.063 90 T CA 0.507 62.599 62.100 -0.013 0.000 1.140 90 T CB -0.162 68.663 68.868 -0.072 0.000 0.886 90 T HN 0.149 nan 8.240 nan 0.000 0.470 91 K N 1.314 121.763 120.400 0.082 0.000 2.044 91 K HA -0.115 4.205 4.320 -0.001 0.000 0.210 91 K C 2.224 178.898 176.600 0.124 0.000 1.049 91 K CA 1.467 57.824 56.287 0.116 0.000 0.927 91 K CB -0.957 31.621 32.500 0.129 0.000 0.713 91 K HN 0.416 nan 8.250 nan 0.000 0.443 92 L N 0.518 121.830 121.223 0.148 0.000 2.283 92 L HA -0.141 4.199 4.340 -0.001 0.000 0.217 92 L C 1.442 178.398 176.870 0.144 0.000 1.104 92 L CA 2.350 57.262 54.840 0.119 0.000 0.772 92 L CB -0.656 41.460 42.059 0.096 0.000 0.899 92 L HN 0.356 nan 8.230 nan 0.000 0.439 93 G N -2.068 106.812 108.800 0.133 0.000 4.299 93 G HA2 0.545 4.505 3.960 -0.001 0.000 0.290 93 G HA3 0.545 4.505 3.960 -0.001 0.000 0.290 93 G C 0.014 174.927 174.900 0.021 0.000 1.019 93 G CA 0.275 45.408 45.100 0.055 0.000 0.790 93 G HN 0.573 nan 8.290 nan 0.000 0.452 94 A N -0.516 122.334 122.820 0.050 0.000 2.306 94 A HA 0.823 5.142 4.320 -0.001 0.000 0.330 94 A C -0.359 177.264 177.584 0.066 0.000 1.146 94 A CA -0.402 51.663 52.037 0.048 0.000 0.827 94 A CB 1.304 20.338 19.000 0.057 0.000 1.178 94 A HN 0.369 nan 8.150 nan 0.000 0.490 95 c N 0.041 118.678 118.600 0.062 0.000 3.213 95 c HA 0.718 5.287 4.570 -0.001 0.000 0.319 95 c C 0.704 174.842 174.090 0.079 0.000 1.386 95 c CA -0.351 56.023 56.329 0.075 0.000 1.494 95 c CB 1.195 43.739 42.510 0.056 0.000 1.905 95 c HN 1.235 nan 8.230 nan 0.000 0.456 96 N N 0.937 119.691 118.700 0.091 0.000 1.175 96 N HA -0.227 4.513 4.740 -0.001 0.000 0.114 96 N C 0.042 175.613 175.510 0.102 0.000 0.804 96 N CA 1.715 54.819 53.050 0.089 0.000 0.858 96 N CB -0.698 37.826 38.487 0.062 0.000 1.032 96 N HN 0.854 nan 8.380 nan 0.000 0.617 97 D N -1.086 119.361 120.400 0.079 0.000 2.218 97 D HA -0.032 4.607 4.640 -0.001 0.000 0.204 97 D C 1.578 177.914 176.300 0.060 0.000 0.976 97 D CA 1.724 55.768 54.000 0.072 0.000 0.853 97 D CB -0.337 40.496 40.800 0.055 0.000 0.939 97 D HN 0.435 nan 8.370 nan 0.000 0.481 98 T N 0.647 115.234 114.554 0.054 0.000 2.674 98 T HA -0.135 4.215 4.350 -0.001 0.000 0.265 98 T C 1.807 176.537 174.700 0.050 0.000 1.039 98 T CA 0.657 62.782 62.100 0.042 0.000 1.150 98 T CB -0.369 68.520 68.868 0.035 0.000 0.864 98 T HN 0.067 nan 8.240 nan 0.000 0.427 99 L N 1.206 122.470 121.223 0.068 0.000 2.046 99 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 99 L C 2.545 179.417 176.870 0.003 0.000 1.077 99 L CA 1.897 56.781 54.840 0.074 0.000 0.747 99 L CB -0.851 41.281 42.059 0.123 0.000 0.896 99 L HN 0.268 nan 8.230 nan 0.000 0.432 100 Q N -1.024 118.794 119.800 0.029 0.000 2.084 100 Q HA -0.274 4.065 4.340 -0.001 0.000 0.202 100 Q C 2.228 178.156 176.000 -0.119 0.000 0.978 100 Q CA 2.111 57.861 55.803 -0.088 0.000 0.844 100 Q CB -0.121 28.716 28.738 0.165 0.000 0.898 100 Q HN 0.693 nan 8.270 nan 0.000 0.426 101 Q N 0.063 119.849 119.800 -0.024 0.000 2.084 101 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 101 Q C 2.256 178.243 176.000 -0.022 0.000 0.978 101 Q CA 1.412 57.200 55.803 -0.024 0.000 0.844 101 Q CB -0.094 28.646 28.738 0.003 0.000 0.898 101 Q HN 0.407 nan 8.270 nan 0.000 0.426 102 L N -0.080 121.172 121.223 0.048 0.000 2.012 102 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 102 L C 2.421 179.403 176.870 0.187 0.000 1.073 102 L CA 0.864 55.823 54.840 0.198 0.000 0.748 102 L CB -0.314 41.880 42.059 0.225 0.000 0.891 102 L HN 0.379 nan 8.230 nan 0.000 0.431 103 M N -0.920 118.692 119.600 0.020 0.000 2.132 103 M HA -0.176 4.304 4.480 -0.001 0.000 0.263 103 M C 2.099 178.341 176.300 -0.096 0.000 1.065 103 M CA 1.655 56.934 55.300 -0.037 0.000 1.122 103 M CB -1.051 31.254 32.600 -0.492 0.000 1.365 103 M HN 0.294 nan 8.290 nan 0.000 0.411 104 E N -0.233 119.884 120.200 -0.138 0.000 2.076 104 E HA -0.078 4.272 4.350 -0.001 0.000 0.190 104 E C 2.234 178.758 176.600 -0.126 0.000 0.979 104 E CA 0.869 57.211 56.400 -0.098 0.000 0.807 104 E CB -0.012 29.647 29.700 -0.068 0.000 0.761 104 E HN 0.229 nan 8.360 nan 0.000 0.454 105 V N 0.789 120.588 119.914 -0.191 0.000 2.295 105 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 105 V C 1.691 177.537 176.094 -0.413 0.000 1.049 105 V CA 1.655 63.757 62.300 -0.330 0.000 1.024 105 V CB -0.435 31.075 31.823 -0.521 0.000 0.648 105 V HN 0.204 nan 8.190 nan 0.000 0.447 106 F N 0.113 119.824 119.950 -0.399 0.000 2.804 106 F HA 0.206 4.733 4.527 -0.001 0.000 0.303 106 F C 1.215 176.580 175.800 -0.724 0.000 1.154 106 F CA 0.012 57.534 58.000 -0.797 0.000 1.401 106 F CB -0.130 37.974 39.000 -1.492 0.000 1.106 106 F HN 0.019 nan 8.300 nan 0.000 0.568 107 K N -1.050 119.214 120.400 -0.227 0.000 3.160 107 K HA -0.238 4.082 4.320 -0.001 0.000 0.280 107 K C 0.375 176.999 176.600 0.040 0.000 1.154 107 K CA 0.494 56.741 56.287 -0.067 0.000 0.822 107 K CB -2.612 29.895 32.500 0.012 0.000 1.239 107 K HN 0.302 nan 8.250 nan 0.000 0.489 108 F N 1.259 121.269 119.950 0.099 0.000 2.615 108 F HA -0.032 4.495 4.527 -0.001 0.000 0.297 108 F C 2.017 177.856 175.800 0.065 0.000 1.124 108 F CA 0.947 58.996 58.000 0.081 0.000 1.451 108 F CB -0.231 38.826 39.000 0.095 0.000 1.103 108 F HN 0.158 nan 8.300 nan 0.000 0.569 109 D N -1.531 118.993 120.400 0.206 0.000 2.363 109 D HA -0.098 4.541 4.640 -0.001 0.000 0.226 109 D C 1.320 177.730 176.300 0.184 0.000 1.020 109 D CA 0.675 54.802 54.000 0.211 0.000 0.892 109 D CB -0.724 40.176 40.800 0.167 0.000 0.900 109 D HN 0.168 nan 8.370 nan 0.000 0.531 110 T N 0.258 114.899 114.554 0.145 0.000 3.243 110 T HA 0.341 4.691 4.350 -0.001 0.000 0.264 110 T C 0.450 175.194 174.700 0.074 0.000 1.000 110 T CA -0.597 61.559 62.100 0.094 0.000 0.901 110 T CB -0.739 68.166 68.868 0.062 0.000 1.083 110 T HN 0.345 nan 8.240 nan 0.000 0.559 111 I N -1.712 118.913 120.570 0.091 0.000 3.264 111 I HA 0.741 4.910 4.170 -0.001 0.000 0.315 111 I C 0.157 176.298 176.117 0.040 0.000 1.154 111 I CA -1.385 59.942 61.300 0.044 0.000 0.962 111 I CB 1.697 39.715 38.000 0.029 0.000 1.265 111 I HN 0.018 nan 8.210 nan 0.000 0.463 112 S N 0.508 116.209 115.700 0.002 0.000 2.569 112 S HA 0.104 4.574 4.470 -0.001 0.000 0.274 112 S C 0.654 175.269 174.600 0.025 0.000 1.353 112 S CA -0.070 58.132 58.200 0.004 0.000 1.023 112 S CB 0.807 63.991 63.200 -0.026 0.000 0.876 112 S HN 0.797 nan 8.310 nan 0.000 0.540 113 E N 0.758 120.980 120.200 0.035 0.000 2.110 113 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 113 E C 1.929 178.564 176.600 0.058 0.000 0.988 113 E CA 0.811 57.243 56.400 0.054 0.000 0.804 113 E CB -0.090 29.635 29.700 0.042 0.000 0.745 113 E HN 0.537 nan 8.360 nan 0.000 0.458 114 K N 0.649 121.075 120.400 0.043 0.000 2.002 114 K HA -0.105 4.215 4.320 -0.001 0.000 0.209 114 K C 2.200 178.870 176.600 0.118 0.000 1.048 114 K CA 1.563 57.893 56.287 0.073 0.000 0.930 114 K CB -0.474 32.060 32.500 0.056 0.000 0.714 114 K HN 0.079 nan 8.250 nan 0.000 0.438 115 T N 0.629 115.185 114.554 0.004 0.000 2.720 115 T HA -0.143 4.207 4.350 -0.001 0.000 0.268 115 T C 2.034 176.770 174.700 0.060 0.000 1.037 115 T CA 1.793 63.847 62.100 -0.076 0.000 1.144 115 T CB -0.349 68.353 68.868 -0.276 0.000 0.864 115 T HN 0.277 nan 8.240 nan 0.000 0.444 116 S N 0.976 116.704 115.700 0.047 0.000 2.343 116 S HA -0.171 4.298 4.470 -0.001 0.000 0.219 116 S C 1.818 176.484 174.600 0.109 0.000 1.033 116 S CA 1.375 59.618 58.200 0.071 0.000 1.014 116 S CB -0.619 62.652 63.200 0.119 0.000 0.915 116 S HN 0.403 nan 8.310 nan 0.000 0.435 117 D N 0.541 121.014 120.400 0.122 0.000 2.221 117 D HA -0.047 4.593 4.640 -0.001 0.000 0.204 117 D C 1.245 177.639 176.300 0.157 0.000 0.982 117 D CA 0.860 54.941 54.000 0.135 0.000 0.857 117 D CB -0.095 40.767 40.800 0.103 0.000 0.934 117 D HN 0.454 nan 8.370 nan 0.000 0.475 118 Q N -0.090 119.785 119.800 0.124 0.000 2.155 118 Q HA 0.127 4.467 4.340 -0.001 0.000 0.220 118 Q C 1.626 177.556 176.000 -0.117 0.000 0.819 118 Q CA -0.483 55.279 55.803 -0.069 0.000 1.032 118 Q CB 0.707 29.398 28.738 -0.078 0.000 1.151 118 Q HN 0.196 nan 8.270 nan 0.000 0.487 119 I N 1.925 122.537 120.570 0.070 0.000 2.121 119 I HA -0.410 3.760 4.170 -0.001 0.000 0.243 119 I C 2.242 178.433 176.117 0.122 0.000 1.047 119 I CA 2.455 63.790 61.300 0.057 0.000 1.308 119 I CB -0.255 37.709 38.000 -0.060 0.000 1.015 119 I HN 0.450 nan 8.210 nan 0.000 0.410 120 H N -1.890 117.298 119.070 0.197 0.000 2.319 120 H HA -0.276 4.280 4.556 -0.001 0.000 0.297 120 H C 2.151 177.562 175.328 0.139 0.000 1.097 120 H CA 2.095 58.278 56.048 0.226 0.000 1.285 120 H CB -1.420 28.380 29.762 0.063 0.000 1.368 120 H HN 0.408 nan 8.280 nan 0.000 0.495 121 F N 1.215 120.743 119.950 -0.703 0.000 2.102 121 F HA -0.124 4.402 4.527 -0.001 0.000 0.298 121 F C 1.594 177.145 175.800 -0.415 0.000 1.105 121 F CA 1.177 58.837 58.000 -0.567 0.000 1.239 121 F CB -0.443 38.060 39.000 -0.828 0.000 0.991 121 F HN 0.093 nan 8.300 nan 0.000 0.474 122 F N -1.053 118.815 119.950 -0.136 0.000 2.451 122 F HA -0.081 4.446 4.527 -0.001 0.000 0.299 122 F C 1.951 177.593 175.800 -0.264 0.000 1.101 122 F CA 0.760 58.628 58.000 -0.219 0.000 1.436 122 F CB -1.043 37.865 39.000 -0.153 0.000 1.074 122 F HN -0.044 nan 8.300 nan 0.000 0.553 123 F N -0.093 119.860 119.950 0.005 0.000 2.259 123 F HA -0.028 4.498 4.527 -0.000 0.000 0.298 123 F C 2.379 178.153 175.800 -0.043 0.000 1.088 123 F CA 0.796 58.803 58.000 0.011 0.000 1.358 123 F CB -0.858 38.164 39.000 0.037 0.000 1.040 123 F HN -0.063 nan 8.300 nan 0.000 0.505 124 A N -0.211 122.616 122.820 0.011 0.000 1.898 124 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 124 A C 2.338 179.818 177.584 -0.173 0.000 1.181 124 A CA 1.230 53.200 52.037 -0.113 0.000 0.620 124 A CB -0.337 18.496 19.000 -0.279 0.000 0.819 124 A HN 0.079 nan 8.150 nan 0.000 0.442 125 K N -0.458 119.770 120.400 -0.287 0.000 2.025 125 K HA -0.093 4.227 4.320 -0.001 0.000 0.207 125 K C 1.923 178.503 176.600 -0.033 0.000 1.049 125 K CA 1.232 57.405 56.287 -0.190 0.000 0.933 125 K CB -0.963 31.432 32.500 -0.175 0.000 0.714 125 K HN 0.444 nan 8.250 nan 0.000 0.438 126 L N 2.136 123.363 121.223 0.006 0.000 2.012 126 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 126 L C 1.524 178.457 176.870 0.104 0.000 1.073 126 L CA 1.911 56.783 54.840 0.054 0.000 0.748 126 L CB -0.841 41.238 42.059 0.033 0.000 0.891 126 L HN 0.129 nan 8.230 nan 0.000 0.431 127 N N -1.429 117.350 118.700 0.131 0.000 2.188 127 N HA -0.179 4.560 4.740 -0.001 0.000 0.184 127 N C 1.921 177.553 175.510 0.203 0.000 1.018 127 N CA 1.665 54.837 53.050 0.204 0.000 0.858 127 N CB -0.530 38.036 38.487 0.132 0.000 0.989 127 N HN 0.434 nan 8.380 nan 0.000 0.426 128 c N 0.384 119.028 118.600 0.072 0.000 2.398 128 c HA -0.119 4.450 4.570 -0.001 0.000 0.276 128 c C 2.610 176.763 174.090 0.104 0.000 1.222 128 c CA 0.706 57.068 56.329 0.055 0.000 1.746 128 c CB -1.005 41.499 42.510 -0.011 0.000 2.039 128 c HN 0.473 nan 8.230 nan 0.000 0.470 129 R N 0.270 120.821 120.500 0.085 0.000 2.120 129 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 129 R C 1.940 178.290 176.300 0.082 0.000 1.123 129 R CA 1.289 57.433 56.100 0.074 0.000 0.975 129 R CB -0.183 30.152 30.300 0.059 0.000 0.866 129 R HN 0.546 nan 8.270 nan 0.000 0.446 130 L N -1.109 120.186 121.223 0.119 0.000 2.131 130 L HA -0.081 4.258 4.340 -0.001 0.000 0.206 130 L C 1.074 177.911 176.870 -0.055 0.000 1.087 130 L CA 0.869 55.725 54.840 0.026 0.000 0.767 130 L CB -0.161 41.903 42.059 0.007 0.000 0.917 130 L HN 0.173 nan 8.230 nan 0.000 0.441 131 Y N -0.046 120.263 120.300 0.015 0.000 2.547 131 Y HA 0.152 4.701 4.550 -0.001 0.000 0.325 131 Y C 1.785 177.693 175.900 0.013 0.000 1.165 131 Y CA -0.328 57.780 58.100 0.013 0.000 1.300 131 Y CB -0.288 38.172 38.460 -0.000 0.000 1.126 131 Y HN 0.072 nan 8.280 nan 0.000 0.513 132 R N 0.291 120.856 120.500 0.108 0.000 2.935 132 R HA 0.483 4.823 4.340 -0.001 0.000 0.354 132 R C 1.056 177.385 176.300 0.049 0.000 1.206 132 R CA 0.591 56.734 56.100 0.073 0.000 1.082 132 R CB -0.857 29.478 30.300 0.059 0.000 1.431 132 R HN 0.409 nan 8.270 nan 0.000 0.582 133 K N -0.773 119.652 120.400 0.042 0.000 2.324 133 K HA 0.678 4.998 4.320 -0.001 0.000 0.222 133 K C 1.890 178.513 176.600 0.039 0.000 1.107 133 K CA 1.093 57.402 56.287 0.037 0.000 0.873 133 K CB -0.823 31.696 32.500 0.030 0.000 1.270 133 K HN 1.687 nan 8.250 nan 0.000 0.456 134 A N 0.788 123.629 122.820 0.034 0.000 2.641 134 A HA -0.219 4.100 4.320 -0.001 0.000 0.315 134 A C 1.166 178.761 177.584 0.019 0.000 1.518 134 A CA 1.772 53.823 52.037 0.024 0.000 0.945 134 A CB -2.846 16.174 19.000 0.033 0.000 0.954 134 A HN 1.639 nan 8.150 nan 0.000 0.448 135 N N -0.768 117.949 118.700 0.029 0.000 2.626 135 N HA 0.447 5.186 4.740 -0.001 0.000 0.226 135 N C 1.627 177.146 175.510 0.014 0.000 1.376 135 N CA 1.717 54.785 53.050 0.030 0.000 0.894 135 N CB -1.307 37.210 38.487 0.051 0.000 1.218 135 N HN 2.264 nan 8.380 nan 0.000 0.492 136 K N -2.082 118.315 120.400 -0.005 0.000 2.947 136 K HA -0.212 4.108 4.320 -0.001 0.000 0.279 136 K C 1.447 178.019 176.600 -0.046 0.000 1.052 136 K CA 2.502 58.773 56.287 -0.027 0.000 0.838 136 K CB -2.446 30.046 32.500 -0.013 0.000 1.230 136 K HN 1.919 nan 8.250 nan 0.000 0.436 137 A N -1.114 121.688 122.820 -0.031 0.000 2.538 137 A HA 0.605 4.924 4.320 -0.001 0.000 0.269 137 A C 0.742 178.292 177.584 -0.058 0.000 1.231 137 A CA 1.026 53.044 52.037 -0.030 0.000 0.948 137 A CB 0.545 19.563 19.000 0.030 0.000 1.110 137 A HN 1.184 nan 8.150 nan 0.000 0.529 138 S N -0.077 115.568 115.700 -0.091 0.000 2.548 138 S HA 0.340 4.810 4.470 -0.001 0.000 0.168 138 S C -1.285 173.261 174.600 -0.091 0.000 1.068 138 S CA -0.213 57.935 58.200 -0.087 0.000 1.129 138 S CB 0.298 63.582 63.200 0.140 0.000 1.435 138 S HN 0.289 nan 8.310 nan 0.000 0.410 139 K N 3.785 124.010 120.400 -0.291 0.000 2.358 139 K HA 0.711 5.031 4.320 -0.001 0.000 0.260 139 K C -1.287 175.219 176.600 -0.156 0.000 0.956 139 K CA -0.651 55.537 56.287 -0.165 0.000 0.834 139 K CB 1.311 33.723 32.500 -0.147 0.000 1.102 139 K HN 0.586 nan 8.250 nan 0.000 0.431 140 L N 4.607 125.799 121.223 -0.051 0.000 2.282 140 L HA 0.685 5.025 4.340 -0.001 0.000 0.288 140 L C -0.685 176.155 176.870 -0.051 0.000 1.033 140 L CA -0.355 54.447 54.840 -0.062 0.000 0.807 140 L CB 1.624 43.474 42.059 -0.348 0.000 1.209 140 L HN 0.516 nan 8.230 nan 0.000 0.423 141 V N 5.329 125.149 119.914 -0.156 0.000 2.577 141 V HA 0.906 5.025 4.120 -0.001 0.000 0.303 141 V C -0.758 175.260 176.094 -0.127 0.000 1.042 141 V CA 0.423 62.630 62.300 -0.155 0.000 0.872 141 V CB 1.915 33.456 31.823 -0.470 0.000 0.998 141 V HN 1.032 nan 8.190 nan 0.000 0.423 142 S N 5.116 120.842 115.700 0.044 0.000 2.599 142 S HA 0.981 5.450 4.470 -0.001 0.000 0.287 142 S C -0.570 174.025 174.600 -0.008 0.000 1.105 142 S CA -0.301 57.926 58.200 0.045 0.000 0.899 142 S CB 2.121 65.397 63.200 0.128 0.000 1.100 142 S HN 2.269 nan 8.310 nan 0.000 0.482 143 A N 2.183 125.034 122.820 0.052 0.000 2.530 143 A HA 0.697 5.017 4.320 -0.001 0.000 0.279 143 A C -1.106 176.633 177.584 0.259 0.000 1.109 143 A CA -0.780 51.305 52.037 0.080 0.000 0.763 143 A CB 0.581 19.554 19.000 -0.045 0.000 1.257 143 A HN 0.736 nan 8.150 nan 0.000 0.424 144 N N 1.467 120.334 118.700 0.278 0.000 2.272 144 N HA 0.772 5.511 4.740 -0.001 0.000 0.305 144 N C -0.548 175.053 175.510 0.150 0.000 1.103 144 N CA -0.415 52.737 53.050 0.169 0.000 0.791 144 N CB 2.424 40.902 38.487 -0.015 0.000 1.356 144 N HN 0.798 nan 8.380 nan 0.000 0.486 145 R N 0.771 121.264 120.500 -0.011 0.000 2.825 145 R HA 0.311 4.650 4.340 -0.001 0.000 0.274 145 R C -2.018 174.117 176.300 -0.276 0.000 1.026 145 R CA -0.594 55.329 56.100 -0.294 0.000 0.867 145 R CB 0.753 30.605 30.300 -0.747 0.000 1.268 145 R HN 0.326 nan 8.270 nan 0.000 0.491 146 L N 2.709 123.646 121.223 -0.477 0.000 2.334 146 L HA 0.616 4.956 4.340 -0.001 0.000 0.276 146 L C -1.048 175.474 176.870 -0.580 0.000 1.014 146 L CA -0.079 54.566 54.840 -0.324 0.000 0.815 146 L CB 1.484 43.393 42.059 -0.251 0.000 1.268 146 L HN 0.425 nan 8.230 nan 0.000 0.428 147 F N 0.610 120.512 119.950 -0.080 0.000 2.529 147 F HA 0.760 5.287 4.527 -0.001 0.000 0.320 147 F C 0.625 176.505 175.800 0.133 0.000 1.118 147 F CA -0.659 57.331 58.000 -0.017 0.000 0.915 147 F CB 2.279 41.368 39.000 0.147 0.000 1.161 147 F HN 0.472 nan 8.300 nan 0.000 0.445 148 G N 1.322 110.200 108.800 0.130 0.000 2.533 148 G HA2 0.285 4.244 3.960 -0.001 0.000 0.304 148 G HA3 0.285 4.244 3.960 -0.001 0.000 0.304 148 G C -1.683 173.369 174.900 0.253 0.000 1.263 148 G CA -0.653 44.648 45.100 0.335 0.000 0.964 148 G HN 0.522 nan 8.290 nan 0.000 0.479 149 D N 0.118 120.721 120.400 0.338 0.000 2.443 149 D HA -0.021 4.619 4.640 -0.001 0.000 0.239 149 D C 1.361 177.725 176.300 0.107 0.000 1.136 149 D CA 0.022 54.069 54.000 0.078 0.000 0.879 149 D CB 1.040 41.968 40.800 0.213 0.000 1.195 149 D HN 0.533 nan 8.370 nan 0.000 0.443 150 K N 0.711 121.108 120.400 -0.005 0.000 2.525 150 K HA -0.045 4.274 4.320 -0.001 0.000 0.192 150 K C 1.402 178.002 176.600 -0.000 0.000 1.029 150 K CA 0.513 56.825 56.287 0.043 0.000 1.029 150 K CB 0.043 32.539 32.500 -0.007 0.000 0.814 150 K HN 0.229 nan 8.250 nan 0.000 0.503 151 S N 0.713 116.402 115.700 -0.017 0.000 2.436 151 S HA 0.055 4.525 4.470 -0.001 0.000 0.228 151 S C 0.959 175.494 174.600 -0.108 0.000 1.014 151 S CA -0.294 57.882 58.200 -0.040 0.000 0.950 151 S CB -0.428 62.765 63.200 -0.012 0.000 0.784 151 S HN 0.222 nan 8.310 nan 0.000 0.504 152 L N 1.537 122.643 121.223 -0.194 0.000 2.466 152 L HA 0.360 4.700 4.340 -0.001 0.000 0.257 152 L C -0.073 176.457 176.870 -0.567 0.000 1.189 152 L CA -0.330 54.264 54.840 -0.410 0.000 0.813 152 L CB 0.531 42.230 42.059 -0.600 0.000 1.118 152 L HN 0.062 nan 8.230 nan 0.000 0.471 153 T N 1.330 115.553 114.554 -0.551 0.000 2.809 153 T HA 0.460 4.810 4.350 -0.001 0.000 0.296 153 T C -0.533 173.879 174.700 -0.480 0.000 1.015 153 T CA -0.320 61.541 62.100 -0.398 0.000 0.954 153 T CB 0.149 68.905 68.868 -0.187 0.000 0.950 153 T HN 0.075 nan 8.240 nan 0.000 0.450 154 F N 2.845 122.774 119.950 -0.036 0.000 2.410 154 F HA 0.311 4.838 4.527 -0.001 0.000 0.348 154 F C 1.195 176.986 175.800 -0.015 0.000 1.106 154 F CA -1.298 56.676 58.000 -0.043 0.000 1.163 154 F CB 0.503 39.481 39.000 -0.036 0.000 1.129 154 F HN 0.390 nan 8.300 nan 0.000 0.516 155 N N 3.253 122.044 118.700 0.152 0.000 2.414 155 N HA -0.103 4.636 4.740 -0.001 0.000 0.268 155 N C 0.984 176.591 175.510 0.163 0.000 1.286 155 N CA 0.313 53.433 53.050 0.116 0.000 0.896 155 N CB 0.515 39.060 38.487 0.096 0.000 1.093 155 N HN 0.556 nan 8.380 nan 0.000 0.480 156 E N 2.546 122.807 120.200 0.103 0.000 2.204 156 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 156 E C 1.156 177.790 176.600 0.056 0.000 0.989 156 E CA 1.016 57.462 56.400 0.078 0.000 0.824 156 E CB -0.109 29.616 29.700 0.043 0.000 0.756 156 E HN 0.647 nan 8.360 nan 0.000 0.477 157 T N 0.595 115.184 114.554 0.057 0.000 2.777 157 T HA -0.172 4.177 4.350 -0.001 0.000 0.266 157 T C 1.695 176.403 174.700 0.013 0.000 1.040 157 T CA 1.257 63.370 62.100 0.022 0.000 1.141 157 T CB -0.469 68.412 68.868 0.023 0.000 0.868 157 T HN 0.256 nan 8.240 nan 0.000 0.444 158 Y N 2.116 122.392 120.300 -0.041 0.000 2.097 158 Y HA -0.228 4.322 4.550 -0.001 0.000 0.282 158 Y C 2.683 178.543 175.900 -0.067 0.000 1.152 158 Y CA 1.519 59.585 58.100 -0.058 0.000 1.136 158 Y CB -0.367 38.082 38.460 -0.019 0.000 0.975 158 Y HN 0.059 nan 8.280 nan 0.000 0.498 159 Q N 0.477 120.323 119.800 0.077 0.000 2.077 159 Q HA -0.223 4.116 4.340 -0.001 0.000 0.206 159 Q C 1.889 177.812 176.000 -0.129 0.000 0.989 159 Q CA 1.973 57.760 55.803 -0.026 0.000 0.853 159 Q CB -0.625 28.137 28.738 0.040 0.000 0.907 159 Q HN 0.624 nan 8.270 nan 0.000 0.418 160 D N 0.344 120.686 120.400 -0.097 0.000 2.084 160 D HA -0.109 4.531 4.640 -0.001 0.000 0.194 160 D C 2.154 178.352 176.300 -0.169 0.000 0.990 160 D CA 0.874 54.810 54.000 -0.106 0.000 0.826 160 D CB -0.309 40.449 40.800 -0.071 0.000 0.971 160 D HN 0.273 nan 8.370 nan 0.000 0.453 161 I N 0.733 121.169 120.570 -0.223 0.000 2.208 161 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 161 I C 2.590 178.446 176.117 -0.435 0.000 1.097 161 I CA 0.878 62.000 61.300 -0.297 0.000 1.363 161 I CB -0.335 37.451 38.000 -0.357 0.000 1.051 161 I HN -0.074 nan 8.210 nan 0.000 0.413 162 S N 0.406 115.798 115.700 -0.513 0.000 2.382 162 S HA -0.252 4.217 4.470 -0.001 0.000 0.228 162 S C 1.974 176.428 174.600 -0.242 0.000 1.027 162 S CA 1.889 59.809 58.200 -0.467 0.000 0.991 162 S CB -0.195 62.771 63.200 -0.390 0.000 0.823 162 S HN 0.488 nan 8.310 nan 0.000 0.469 163 E N 0.820 120.907 120.200 -0.189 0.000 2.058 163 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 163 E C 2.172 178.711 176.600 -0.102 0.000 0.997 163 E CA 1.984 58.317 56.400 -0.112 0.000 0.801 163 E CB -0.679 28.965 29.700 -0.093 0.000 0.746 163 E HN 0.466 nan 8.360 nan 0.000 0.450 164 L N -0.196 120.948 121.223 -0.132 0.000 2.049 164 L HA 0.082 4.421 4.340 -0.001 0.000 0.203 164 L C 2.785 179.576 176.870 -0.132 0.000 1.074 164 L CA 1.871 56.647 54.840 -0.106 0.000 0.749 164 L CB -1.214 40.795 42.059 -0.083 0.000 0.907 164 L HN 0.224 nan 8.230 nan 0.000 0.439 165 V N -1.439 118.333 119.914 -0.237 0.000 2.548 165 V HA -0.222 3.898 4.120 -0.001 0.000 0.249 165 V C 2.151 178.134 176.094 -0.185 0.000 1.055 165 V CA 1.693 63.818 62.300 -0.292 0.000 1.065 165 V CB -0.701 30.851 31.823 -0.451 0.000 0.681 165 V HN 0.819 nan 8.190 nan 0.000 0.462 166 Y N -1.121 119.124 120.300 -0.091 0.000 2.445 166 Y HA 0.459 5.009 4.550 -0.001 0.000 0.247 166 Y C 1.996 177.850 175.900 -0.076 0.000 1.129 166 Y CA 0.186 58.228 58.100 -0.096 0.000 1.251 166 Y CB 1.046 39.427 38.460 -0.132 0.000 1.176 166 Y HN 0.282 nan 8.280 nan 0.000 0.522 167 G N 1.064 109.895 108.800 0.051 0.000 2.336 167 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.233 167 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.233 167 G C 0.193 175.116 174.900 0.037 0.000 1.053 167 G CA -0.009 45.111 45.100 0.032 0.000 0.625 167 G HN 0.614 nan 8.290 nan 0.000 0.511 168 A N -0.494 122.346 122.820 0.033 0.000 2.532 168 A HA 0.828 5.147 4.320 -0.001 0.000 0.290 168 A C -0.269 177.254 177.584 -0.102 0.000 1.143 168 A CA -0.189 51.832 52.037 -0.028 0.000 0.728 168 A CB 1.226 20.210 19.000 -0.028 0.000 1.317 168 A HN 0.348 nan 8.150 nan 0.000 0.414 169 K N 0.086 120.392 120.400 -0.156 0.000 2.090 169 K HA 0.480 4.799 4.320 -0.001 0.000 0.249 169 K C -0.385 176.035 176.600 -0.300 0.000 0.995 169 K CA -0.591 55.588 56.287 -0.180 0.000 0.914 169 K CB 1.555 33.969 32.500 -0.144 0.000 1.057 169 K HN 0.623 nan 8.250 nan 0.000 0.462 170 L N 2.239 123.290 121.223 -0.287 0.000 2.513 170 L HA -0.014 4.326 4.340 -0.001 0.000 0.272 170 L C -0.259 176.277 176.870 -0.556 0.000 1.187 170 L CA -0.113 54.452 54.840 -0.459 0.000 0.895 170 L CB 0.485 42.294 42.059 -0.418 0.000 1.147 170 L HN 0.516 nan 8.230 nan 0.000 0.483 171 Q N 7.706 127.071 119.800 -0.724 0.000 2.294 171 Q HA 0.435 4.775 4.340 -0.001 0.000 0.257 171 Q C -2.517 173.291 176.000 -0.320 0.000 0.955 171 Q CA -1.845 53.640 55.803 -0.531 0.000 0.936 171 Q CB 1.385 29.727 28.738 -0.660 0.000 1.188 171 Q HN 0.353 nan 8.270 nan 0.000 0.420 172 P HA 0.274 nan 4.420 nan 0.000 0.286 172 P C -1.035 176.197 177.300 -0.113 0.000 1.269 172 P CA -0.090 62.953 63.100 -0.096 0.000 0.787 172 P CB 0.866 32.591 31.700 0.042 0.000 0.920 173 L N 1.789 122.852 121.223 -0.268 0.000 2.341 173 L HA 0.491 4.830 4.340 -0.001 0.000 0.254 173 L C -0.195 176.379 176.870 -0.492 0.000 1.040 173 L CA -0.797 53.809 54.840 -0.389 0.000 0.837 173 L CB 2.127 43.853 42.059 -0.555 0.000 1.425 173 L HN 0.181 nan 8.230 nan 0.000 0.414 174 D N -0.255 119.945 120.400 -0.334 0.000 2.518 174 D HA 0.255 4.895 4.640 -0.001 0.000 0.230 174 D C 0.491 176.728 176.300 -0.105 0.000 1.138 174 D CA -0.251 53.634 54.000 -0.192 0.000 0.964 174 D CB 0.317 41.072 40.800 -0.074 0.000 1.011 174 D HN 0.208 nan 8.370 nan 0.000 0.517 175 F N 1.444 121.421 119.950 0.045 0.000 2.234 175 F HA 0.046 4.572 4.527 -0.001 0.000 0.299 175 F C 2.191 178.013 175.800 0.037 0.000 1.087 175 F CA 0.665 58.688 58.000 0.039 0.000 1.340 175 F CB -0.267 38.763 39.000 0.049 0.000 1.031 175 F HN 0.256 nan 8.300 nan 0.000 0.500 176 K N -0.159 120.365 120.400 0.206 0.000 2.057 176 K HA -0.133 4.186 4.320 -0.001 0.000 0.207 176 K C 1.628 178.281 176.600 0.089 0.000 1.049 176 K CA 1.501 57.867 56.287 0.131 0.000 0.931 176 K CB -0.015 32.542 32.500 0.095 0.000 0.714 176 K HN 0.142 nan 8.250 nan 0.000 0.440 177 E N -0.731 119.509 120.200 0.067 0.000 2.453 177 E HA 0.086 4.435 4.350 -0.001 0.000 0.211 177 E C 0.111 176.737 176.600 0.043 0.000 0.897 177 E CA 0.268 56.696 56.400 0.046 0.000 1.063 177 E CB 0.555 30.272 29.700 0.029 0.000 1.080 177 E HN 0.156 nan 8.360 nan 0.000 0.512 178 N N 1.012 119.739 118.700 0.045 0.000 2.660 178 N HA 0.278 5.017 4.740 -0.001 0.000 0.316 178 N C 0.576 176.127 175.510 0.069 0.000 1.774 178 N CA 0.160 53.233 53.050 0.038 0.000 0.946 178 N CB 1.338 39.830 38.487 0.009 0.000 1.322 178 N HN -0.001 nan 8.380 nan 0.000 0.492 179 A N 0.442 123.322 122.820 0.100 0.000 1.851 179 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 179 A C 2.144 179.781 177.584 0.088 0.000 1.195 179 A CA 2.007 54.128 52.037 0.139 0.000 0.622 179 A CB -0.511 18.555 19.000 0.111 0.000 0.831 179 A HN 0.353 nan 8.150 nan 0.000 0.444 180 E N -0.655 119.572 120.200 0.046 0.000 2.085 180 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 180 E C 2.310 178.916 176.600 0.011 0.000 0.994 180 E CA 1.804 58.215 56.400 0.018 0.000 0.801 180 E CB -0.579 29.127 29.700 0.010 0.000 0.743 180 E HN 0.783 nan 8.360 nan 0.000 0.453 181 Q N -0.373 119.437 119.800 0.016 0.000 2.124 181 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 181 Q C 2.433 178.434 176.000 0.001 0.000 0.977 181 Q CA 1.949 57.755 55.803 0.006 0.000 0.850 181 Q CB -0.300 28.442 28.738 0.006 0.000 0.901 181 Q HN 0.451 nan 8.270 nan 0.000 0.429 182 S N 0.173 115.884 115.700 0.019 0.000 2.402 182 S HA -0.132 4.338 4.470 -0.001 0.000 0.229 182 S C 1.682 176.276 174.600 -0.011 0.000 1.021 182 S CA 1.106 59.314 58.200 0.013 0.000 0.974 182 S CB -0.231 63.021 63.200 0.086 0.000 0.800 182 S HN 0.409 nan 8.310 nan 0.000 0.484 183 R N 1.647 122.143 120.500 -0.006 0.000 2.073 183 R HA -0.065 4.274 4.340 -0.001 0.000 0.234 183 R C 2.328 178.573 176.300 -0.093 0.000 1.134 183 R CA 1.480 57.534 56.100 -0.077 0.000 0.952 183 R CB -0.580 29.675 30.300 -0.074 0.000 0.850 183 R HN 0.332 nan 8.270 nan 0.000 0.433 184 A N 0.790 123.578 122.820 -0.052 0.000 1.902 184 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 184 A C 2.412 179.980 177.584 -0.026 0.000 1.181 184 A CA 1.720 53.735 52.037 -0.037 0.000 0.623 184 A CB -0.890 18.099 19.000 -0.018 0.000 0.818 184 A HN 0.588 nan 8.150 nan 0.000 0.443 185 A N -0.215 122.588 122.820 -0.029 0.000 1.933 185 A HA -0.077 4.243 4.320 -0.001 0.000 0.218 185 A C 2.112 179.686 177.584 -0.015 0.000 1.175 185 A CA 1.551 53.587 52.037 -0.001 0.000 0.628 185 A CB -0.538 18.460 19.000 -0.004 0.000 0.814 185 A HN 0.522 nan 8.150 nan 0.000 0.444 186 I N -0.332 120.133 120.570 -0.175 0.000 2.286 186 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 186 I C 2.037 178.134 176.117 -0.034 0.000 1.104 186 I CA 0.915 62.022 61.300 -0.321 0.000 1.397 186 I CB -0.457 37.147 38.000 -0.659 0.000 1.072 186 I HN 0.274 nan 8.210 nan 0.000 0.417 187 N N 0.815 119.483 118.700 -0.054 0.000 2.104 187 N HA -0.193 4.547 4.740 -0.001 0.000 0.190 187 N C 1.941 177.486 175.510 0.058 0.000 1.024 187 N CA 1.204 54.251 53.050 -0.004 0.000 0.853 187 N CB -0.410 38.051 38.487 -0.043 0.000 1.008 187 N HN 0.139 nan 8.380 nan 0.000 0.424 188 K N 0.142 120.584 120.400 0.069 0.000 2.032 188 K HA -0.154 4.165 4.320 -0.001 0.000 0.209 188 K C 1.822 178.509 176.600 0.144 0.000 1.048 188 K CA 1.319 57.658 56.287 0.087 0.000 0.927 188 K CB -1.038 31.512 32.500 0.084 0.000 0.712 188 K HN 0.509 nan 8.250 nan 0.000 0.441 189 W N 0.614 121.940 121.300 0.044 0.000 2.338 189 W HA -0.180 4.479 4.660 -0.001 0.000 0.304 189 W C 1.861 178.430 176.519 0.083 0.000 1.212 189 W CA 1.937 59.334 57.345 0.086 0.000 1.264 189 W CB -0.440 29.127 29.460 0.178 0.000 1.142 189 W HN 0.106 nan 8.180 nan 0.000 0.512 190 V N -0.343 119.681 119.914 0.185 0.000 2.453 190 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 190 V C 2.404 178.471 176.094 -0.044 0.000 1.048 190 V CA 2.019 64.330 62.300 0.018 0.000 1.049 190 V CB -1.163 30.768 31.823 0.180 0.000 0.672 190 V HN 0.283 nan 8.190 nan 0.000 0.457 191 S N 0.491 116.192 115.700 0.002 0.000 2.419 191 S HA -0.225 4.245 4.470 -0.001 0.000 0.233 191 S C 2.000 176.576 174.600 -0.040 0.000 1.016 191 S CA 1.850 60.048 58.200 -0.004 0.000 0.974 191 S CB -0.496 62.707 63.200 0.004 0.000 0.786 191 S HN 0.728 nan 8.310 nan 0.000 0.492 192 N N 0.838 119.482 118.700 -0.094 0.000 2.220 192 N HA -0.064 4.676 4.740 -0.001 0.000 0.182 192 N C 1.773 177.165 175.510 -0.197 0.000 1.023 192 N CA 1.193 54.168 53.050 -0.125 0.000 0.856 192 N CB -0.376 38.035 38.487 -0.125 0.000 0.997 192 N HN 0.234 nan 8.380 nan 0.000 0.429 193 K N 0.573 120.751 120.400 -0.370 0.000 2.147 193 K HA -0.038 4.281 4.320 -0.001 0.000 0.205 193 K C 1.284 177.761 176.600 -0.205 0.000 1.049 193 K CA 1.747 57.778 56.287 -0.428 0.000 0.936 193 K CB -0.495 31.499 32.500 -0.843 0.000 0.722 193 K HN 0.397 nan 8.250 nan 0.000 0.446 194 T N -2.486 112.013 114.554 -0.091 0.000 3.228 194 T HA 0.188 4.537 4.350 -0.001 0.000 0.278 194 T C -0.510 174.250 174.700 0.100 0.000 1.014 194 T CA -0.400 61.740 62.100 0.067 0.000 0.904 194 T CB -0.124 68.895 68.868 0.252 0.000 1.110 194 T HN 0.107 nan 8.240 nan 0.000 0.541 195 E N 1.406 121.611 120.200 0.008 0.000 0.704 195 E HA -0.079 4.271 4.350 -0.001 0.000 0.351 195 E C 1.422 178.044 176.600 0.036 0.000 0.925 195 E CA 1.422 57.827 56.400 0.008 0.000 1.318 195 E CB -1.369 28.331 29.700 0.000 0.000 0.430 195 E HN 0.899 nan 8.360 nan 0.000 0.355 196 G N 2.281 111.091 108.800 0.017 0.000 2.609 196 G HA2 -0.504 3.456 3.960 -0.001 0.000 0.235 196 G HA3 -0.504 3.456 3.960 -0.001 0.000 0.235 196 G C 1.278 176.178 174.900 -0.000 0.000 1.177 196 G CA 1.395 46.499 45.100 0.006 0.000 0.707 196 G HN 0.744 nan 8.290 nan 0.000 0.513 197 R N 0.534 121.048 120.500 0.023 0.000 2.113 197 R HA 0.059 4.399 4.340 -0.001 0.000 0.231 197 R C 1.578 177.861 176.300 -0.028 0.000 1.129 197 R CA 1.953 58.023 56.100 -0.051 0.000 0.915 197 R CB -0.757 29.446 30.300 -0.162 0.000 0.837 197 R HN 0.757 nan 8.270 nan 0.000 0.430 198 I N 1.987 122.598 120.570 0.069 0.000 2.282 198 I HA 0.219 4.388 4.170 -0.001 0.000 0.290 198 I C 1.184 177.328 176.117 0.044 0.000 1.090 198 I CA 0.257 61.607 61.300 0.084 0.000 1.231 198 I CB 0.317 38.425 38.000 0.180 0.000 1.434 198 I HN 0.531 nan 8.210 nan 0.000 0.487 199 T N -0.699 113.857 114.554 0.004 0.000 3.069 199 T HA 0.205 4.554 4.350 -0.001 0.000 0.252 199 T C 0.575 175.263 174.700 -0.020 0.000 1.053 199 T CA 0.058 62.155 62.100 -0.006 0.000 0.964 199 T CB 0.330 69.186 68.868 -0.021 0.000 1.005 199 T HN 0.447 nan 8.240 nan 0.000 0.532 200 D N 0.913 121.298 120.400 -0.025 0.000 3.100 200 D HA 0.216 4.856 4.640 -0.001 0.000 0.350 200 D C 1.294 177.552 176.300 -0.070 0.000 1.310 200 D CA 0.030 53.997 54.000 -0.055 0.000 0.741 200 D CB 1.461 42.224 40.800 -0.061 0.000 1.248 200 D HN 0.098 nan 8.370 nan 0.000 0.527 201 V N 0.124 120.008 119.914 -0.050 0.000 2.324 201 V HA -0.150 3.970 4.120 -0.001 0.000 0.250 201 V C 1.419 177.391 176.094 -0.203 0.000 1.060 201 V CA 1.218 63.485 62.300 -0.055 0.000 1.042 201 V CB -0.238 31.589 31.823 0.006 0.000 0.650 201 V HN 0.393 nan 8.190 nan 0.000 0.450 202 I N 3.334 123.717 120.570 -0.311 0.000 2.307 202 I HA 0.280 4.449 4.170 -0.001 0.000 0.289 202 I C -2.059 173.855 176.117 -0.338 0.000 1.021 202 I CA -1.962 59.001 61.300 -0.562 0.000 1.224 202 I CB 1.424 39.017 38.000 -0.677 0.000 1.376 202 I HN 0.150 nan 8.210 nan 0.000 0.470 203 P HA 0.054 nan 4.420 nan 0.000 0.274 203 P C -0.301 176.922 177.300 -0.128 0.000 1.260 203 P CA -0.391 62.618 63.100 -0.151 0.000 0.793 203 P CB 0.423 32.066 31.700 -0.095 0.000 1.048 204 S N -0.927 114.726 115.700 -0.077 0.000 2.563 204 S HA -0.025 4.444 4.470 -0.001 0.000 0.294 204 S C 0.442 175.018 174.600 -0.040 0.000 1.279 204 S CA -0.083 58.085 58.200 -0.054 0.000 1.069 204 S CB -0.792 62.387 63.200 -0.035 0.000 0.828 204 S HN 0.562 nan 8.310 nan 0.000 0.497 205 E N 0.085 120.264 120.200 -0.034 0.000 2.883 205 E HA -0.323 4.026 4.350 -0.001 0.000 0.271 205 E C 1.044 177.642 176.600 -0.003 0.000 1.049 205 E CA 0.692 57.085 56.400 -0.012 0.000 0.817 205 E CB -1.933 27.768 29.700 0.001 0.000 1.407 205 E HN 0.888 nan 8.360 nan 0.000 0.434 206 A N 0.032 122.832 122.820 -0.033 0.000 2.016 206 A HA 0.123 4.442 4.320 -0.001 0.000 0.217 206 A C 1.097 178.720 177.584 0.065 0.000 1.162 206 A CA 0.537 52.587 52.037 0.021 0.000 0.662 206 A CB 0.291 19.218 19.000 -0.122 0.000 0.812 206 A HN 0.269 nan 8.150 nan 0.000 0.450 207 I N 0.646 121.206 120.570 -0.018 0.000 2.437 207 I HA 0.340 4.509 4.170 -0.001 0.000 0.298 207 I C -0.300 175.820 176.117 0.006 0.000 0.984 207 I CA -0.583 60.699 61.300 -0.031 0.000 1.214 207 I CB 1.730 39.711 38.000 -0.032 0.000 1.365 207 I HN 0.622 nan 8.210 nan 0.000 0.469 208 N N 2.242 120.941 118.700 -0.001 0.000 3.364 208 N HA 0.215 4.955 4.740 -0.001 0.000 0.294 208 N C -0.152 175.405 175.510 0.078 0.000 1.562 208 N CA -0.714 52.364 53.050 0.046 0.000 0.862 208 N CB 0.569 39.078 38.487 0.037 0.000 1.691 208 N HN 0.236 nan 8.380 nan 0.000 0.572 209 E N -0.397 119.853 120.200 0.083 0.000 2.130 209 E HA -0.024 4.326 4.350 -0.001 0.000 0.196 209 E C 0.953 177.615 176.600 0.104 0.000 0.998 209 E CA 1.173 57.632 56.400 0.099 0.000 0.806 209 E CB -0.169 29.576 29.700 0.075 0.000 0.738 209 E HN 0.466 nan 8.360 nan 0.000 0.459 210 L N 0.719 121.992 121.223 0.082 0.000 2.591 210 L HA 0.104 4.443 4.340 -0.001 0.000 0.228 210 L C 0.227 177.147 176.870 0.083 0.000 1.133 210 L CA 0.599 55.498 54.840 0.099 0.000 0.880 210 L CB -1.060 41.057 42.059 0.097 0.000 1.033 210 L HN -0.017 nan 8.230 nan 0.000 0.450 211 T N 0.742 115.296 114.554 0.000 0.000 2.779 211 T HA 0.210 4.559 4.350 -0.001 0.000 0.296 211 T C 1.281 175.911 174.700 -0.117 0.000 0.938 211 T CA 0.101 62.078 62.100 -0.205 0.000 1.119 211 T CB 2.025 70.566 68.868 -0.545 0.000 0.891 211 T HN 0.150 nan 8.240 nan 0.000 0.526 212 V N 2.859 122.683 119.914 -0.150 0.000 3.219 212 V HA 0.584 4.703 4.120 -0.001 0.000 0.240 212 V C -0.114 176.056 176.094 0.128 0.000 1.222 212 V CA 0.061 62.389 62.300 0.047 0.000 1.181 212 V CB 0.274 32.033 31.823 -0.106 0.000 0.941 212 V HN 0.531 nan 8.190 nan 0.000 0.471 213 L N 1.104 122.265 121.223 -0.104 0.000 2.505 213 L HA 0.819 5.158 4.340 -0.001 0.000 0.266 213 L C -1.348 175.488 176.870 -0.056 0.000 0.954 213 L CA -0.524 54.321 54.840 0.007 0.000 0.852 213 L CB 2.089 44.109 42.059 -0.065 0.000 1.282 213 L HN -0.001 nan 8.230 nan 0.000 0.403 214 V N 5.572 125.530 119.914 0.073 0.000 2.531 214 V HA 0.497 4.617 4.120 -0.001 0.000 0.301 214 V C -0.655 175.517 176.094 0.130 0.000 1.034 214 V CA -0.687 61.659 62.300 0.077 0.000 0.865 214 V CB 2.059 33.985 31.823 0.172 0.000 0.995 214 V HN 0.539 nan 8.190 nan 0.000 0.424 215 L N 5.517 126.752 121.223 0.020 0.000 2.264 215 L HA 0.553 4.892 4.340 -0.001 0.000 0.289 215 L C -0.409 176.531 176.870 0.116 0.000 1.044 215 L CA -0.025 54.798 54.840 -0.028 0.000 0.807 215 L CB 1.693 43.602 42.059 -0.250 0.000 1.192 215 L HN 0.421 nan 8.230 nan 0.000 0.425 216 V N 4.839 124.860 119.914 0.179 0.000 2.350 216 V HA 0.348 4.468 4.120 -0.001 0.000 0.285 216 V C -0.143 176.072 176.094 0.202 0.000 1.014 216 V CA -0.794 61.667 62.300 0.269 0.000 0.831 216 V CB 1.591 33.641 31.823 0.378 0.000 1.000 216 V HN 0.902 nan 8.190 nan 0.000 0.433 217 N N 2.381 121.196 118.700 0.192 0.000 2.491 217 N HA 0.695 5.434 4.740 -0.001 0.000 0.274 217 N C -0.452 175.180 175.510 0.203 0.000 1.023 217 N CA -0.625 52.520 53.050 0.159 0.000 0.902 217 N CB 2.159 40.706 38.487 0.099 0.000 1.267 217 N HN 0.558 nan 8.380 nan 0.000 0.503 218 T N 0.187 114.860 114.554 0.198 0.000 2.926 218 T HA 0.750 5.100 4.350 -0.001 0.000 0.289 218 T C -0.272 174.543 174.700 0.193 0.000 1.054 218 T CA -0.855 61.374 62.100 0.216 0.000 1.015 218 T CB 1.677 70.684 68.868 0.232 0.000 1.167 218 T HN 0.658 nan 8.240 nan 0.000 0.526 219 I N 1.422 122.131 120.570 0.231 0.000 2.639 219 I HA 0.465 4.635 4.170 -0.001 0.000 0.293 219 I C -2.282 174.007 176.117 0.287 0.000 1.762 219 I CA -0.952 60.474 61.300 0.210 0.000 0.993 219 I CB 1.544 39.649 38.000 0.175 0.000 1.518 219 I HN 1.069 nan 8.210 nan 0.000 0.517 220 Y N 4.821 125.187 120.300 0.109 0.000 2.638 220 Y HA 0.739 5.289 4.550 -0.001 0.000 0.335 220 Y C -2.156 173.835 175.900 0.151 0.000 1.155 220 Y CA -1.311 56.735 58.100 -0.089 0.000 1.046 220 Y CB 1.128 39.199 38.460 -0.648 0.000 1.303 220 Y HN 0.449 nan 8.280 nan 0.000 0.460 221 F N 2.329 122.302 119.950 0.038 0.000 2.507 221 F HA 0.674 5.200 4.527 -0.001 0.000 0.325 221 F C -1.189 174.575 175.800 -0.061 0.000 1.116 221 F CA -1.167 56.803 58.000 -0.049 0.000 0.930 221 F CB 1.819 40.780 39.000 -0.065 0.000 1.146 221 F HN 0.527 nan 8.300 nan 0.000 0.447 222 K N 4.579 124.428 120.400 -0.919 0.000 2.358 222 K HA 0.731 5.050 4.320 -0.001 0.000 0.260 222 K C -0.617 175.210 176.600 -1.288 0.000 0.956 222 K CA -0.880 54.952 56.287 -0.760 0.000 0.834 222 K CB 1.800 34.123 32.500 -0.295 0.000 1.102 222 K HN 0.891 nan 8.250 nan 0.000 0.431 223 G N 2.484 110.665 108.800 -1.031 0.000 2.673 223 G HA2 0.471 4.430 3.960 -0.001 0.000 0.292 223 G HA3 0.471 4.430 3.960 -0.001 0.000 0.292 223 G C -1.513 173.293 174.900 -0.157 0.000 1.450 223 G CA -0.780 43.909 45.100 -0.685 0.000 0.837 223 G HN 0.347 nan 8.290 nan 0.000 0.505 224 L N 0.169 121.428 121.223 0.059 0.000 2.331 224 L HA 0.529 4.868 4.340 -0.001 0.000 0.275 224 L C -0.184 176.797 176.870 0.185 0.000 1.022 224 L CA -0.912 53.964 54.840 0.060 0.000 0.812 224 L CB 1.750 43.847 42.059 0.063 0.000 1.257 224 L HN 0.625 nan 8.230 nan 0.000 0.435 225 W N 1.982 123.397 121.300 0.191 0.000 2.137 225 W HA 0.088 4.747 4.660 -0.001 0.000 0.344 225 W C 1.512 178.058 176.519 0.045 0.000 1.286 225 W CA -0.252 57.098 57.345 0.008 0.000 1.240 225 W CB 0.644 30.102 29.460 -0.003 0.000 1.141 225 W HN 0.569 nan 8.180 nan 0.000 0.579 226 K N 0.749 121.327 120.400 0.297 0.000 2.155 226 K HA -0.099 4.220 4.320 -0.001 0.000 0.203 226 K C 0.577 177.237 176.600 0.100 0.000 1.052 226 K CA 1.056 57.440 56.287 0.162 0.000 0.948 226 K CB 0.047 32.615 32.500 0.113 0.000 0.728 226 K HN 0.253 nan 8.250 nan 0.000 0.448 227 S N 1.238 117.000 115.700 0.103 0.000 2.622 227 S HA 0.265 4.734 4.470 -0.001 0.000 0.283 227 S C -1.066 173.512 174.600 -0.037 0.000 1.197 227 S CA -0.870 57.319 58.200 -0.018 0.000 1.146 227 S CB 0.528 63.640 63.200 -0.147 0.000 1.007 227 S HN 0.152 nan 8.310 nan 0.000 0.478 228 K N 2.409 122.848 120.400 0.065 0.000 2.230 228 K HA 0.258 4.577 4.320 -0.001 0.000 0.253 228 K C -0.695 175.864 176.600 -0.069 0.000 1.008 228 K CA 0.083 56.458 56.287 0.146 0.000 0.910 228 K CB 0.361 32.994 32.500 0.222 0.000 0.994 228 K HN 0.439 nan 8.250 nan 0.000 0.495 229 F N 0.168 120.139 119.950 0.034 0.000 2.399 229 F HA 0.119 4.646 4.527 -0.000 0.000 0.334 229 F C 1.033 176.856 175.800 0.038 0.000 1.097 229 F CA -0.450 57.539 58.000 -0.018 0.000 1.076 229 F CB 1.646 40.621 39.000 -0.043 0.000 1.162 229 F HN 0.321 nan 8.300 nan 0.000 0.495 230 S N 3.868 119.687 115.700 0.199 0.000 2.474 230 S HA 0.235 4.704 4.470 -0.001 0.000 0.276 230 S C -1.664 173.031 174.600 0.159 0.000 1.227 230 S CA -1.375 56.914 58.200 0.148 0.000 1.050 230 S CB 0.878 64.143 63.200 0.109 0.000 0.939 230 S HN 0.334 nan 8.310 nan 0.000 0.490 231 P HA -0.131 nan 4.420 nan 0.000 0.217 231 P C 0.803 178.159 177.300 0.093 0.000 1.148 231 P CA 1.241 64.403 63.100 0.104 0.000 0.828 231 P CB 0.076 31.824 31.700 0.080 0.000 0.783 232 E N -1.021 119.232 120.200 0.089 0.000 2.267 232 E HA -0.154 4.196 4.350 -0.001 0.000 0.197 232 E C 1.326 177.981 176.600 0.091 0.000 0.998 232 E CA 0.705 57.151 56.400 0.077 0.000 0.830 232 E CB -0.511 29.230 29.700 0.068 0.000 0.751 232 E HN 0.323 nan 8.360 nan 0.000 0.491 233 N N 0.333 119.111 118.700 0.130 0.000 2.353 233 N HA -0.002 4.737 4.740 -0.001 0.000 0.185 233 N C -0.239 175.371 175.510 0.167 0.000 1.098 233 N CA 0.374 53.524 53.050 0.166 0.000 0.872 233 N CB 0.617 39.271 38.487 0.279 0.000 0.970 233 N HN -0.016 nan 8.380 nan 0.000 0.467 234 T N 2.262 116.896 114.554 0.134 0.000 2.832 234 T HA 0.307 4.656 4.350 -0.001 0.000 0.296 234 T C 0.412 175.164 174.700 0.086 0.000 0.968 234 T CA -0.117 62.050 62.100 0.113 0.000 1.107 234 T CB 1.177 70.090 68.868 0.075 0.000 0.916 234 T HN -0.072 nan 8.240 nan 0.000 0.517 235 R N 2.139 122.693 120.500 0.090 0.000 2.725 235 R HA 0.346 4.685 4.340 -0.001 0.000 0.277 235 R C -0.619 175.711 176.300 0.050 0.000 0.987 235 R CA -1.091 55.045 56.100 0.061 0.000 0.901 235 R CB 1.396 31.728 30.300 0.053 0.000 1.207 235 R HN 0.384 nan 8.270 nan 0.000 0.463 236 K N 2.665 123.084 120.400 0.031 0.000 2.395 236 K HA 0.110 4.429 4.320 -0.001 0.000 0.283 236 K C -0.139 176.470 176.600 0.014 0.000 1.068 236 K CA 0.528 56.828 56.287 0.021 0.000 1.039 236 K CB 0.282 32.790 32.500 0.012 0.000 0.924 236 K HN 0.542 nan 8.250 nan 0.000 0.468 237 E N 1.541 121.751 120.200 0.015 0.000 2.433 237 E HA 0.421 4.771 4.350 -0.001 0.000 0.273 237 E C -0.519 176.060 176.600 -0.034 0.000 0.950 237 E CA -0.901 55.494 56.400 -0.008 0.000 0.796 237 E CB 1.509 31.206 29.700 -0.006 0.000 1.330 237 E HN 0.258 nan 8.360 nan 0.000 0.455 238 L N 1.707 122.863 121.223 -0.111 0.000 2.349 238 L HA 0.365 4.704 4.340 -0.001 0.000 0.275 238 L C -0.614 176.023 176.870 -0.389 0.000 1.115 238 L CA -0.241 54.435 54.840 -0.273 0.000 0.820 238 L CB 0.311 42.110 42.059 -0.434 0.000 1.135 238 L HN 0.396 nan 8.230 nan 0.000 0.445 239 F N 2.703 122.382 119.950 -0.451 0.000 2.402 239 F HA 0.365 4.892 4.527 -0.001 0.000 0.355 239 F C -0.619 174.947 175.800 -0.390 0.000 1.123 239 F CA -0.644 57.165 58.000 -0.318 0.000 1.021 239 F CB 0.771 39.710 39.000 -0.101 0.000 1.160 239 F HN 0.206 nan 8.300 nan 0.000 0.451 240 Y N 6.356 126.401 120.300 -0.426 0.000 2.627 240 Y HA 0.241 4.791 4.550 -0.001 0.000 0.347 240 Y C 0.803 176.538 175.900 -0.274 0.000 1.099 240 Y CA -0.588 57.355 58.100 -0.262 0.000 1.408 240 Y CB -0.220 38.103 38.460 -0.229 0.000 1.247 240 Y HN 0.449 nan 8.280 nan 0.000 0.506 241 K N 0.847 121.287 120.400 0.067 0.000 2.168 241 K HA 0.134 4.454 4.320 -0.001 0.000 0.244 241 K C 1.151 177.801 176.600 0.084 0.000 1.065 241 K CA 0.422 56.803 56.287 0.157 0.000 0.808 241 K CB 0.361 32.968 32.500 0.179 0.000 1.080 241 K HN 0.639 nan 8.250 nan 0.000 0.526 242 A N 1.197 124.069 122.820 0.088 0.000 1.984 242 A HA -0.098 4.222 4.320 -0.001 0.000 0.214 242 A C 1.387 178.996 177.584 0.041 0.000 1.173 242 A CA 1.203 53.272 52.037 0.053 0.000 0.673 242 A CB -0.267 18.763 19.000 0.051 0.000 0.830 242 A HN 0.855 nan 8.150 nan 0.000 0.453 243 D N -0.960 119.469 120.400 0.047 0.000 2.371 243 D HA 0.159 4.798 4.640 -0.001 0.000 0.234 243 D C 1.226 177.547 176.300 0.035 0.000 1.049 243 D CA 1.158 55.179 54.000 0.035 0.000 0.907 243 D CB -0.576 40.245 40.800 0.034 0.000 0.891 243 D HN 0.716 nan 8.370 nan 0.000 0.531 244 G N -0.783 108.043 108.800 0.043 0.000 2.299 244 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.237 244 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.237 244 G C 0.584 175.523 174.900 0.066 0.000 1.027 244 G CA 0.732 45.858 45.100 0.043 0.000 0.619 244 G HN 0.872 nan 8.290 nan 0.000 0.513 245 E N 0.065 120.304 120.200 0.064 0.000 2.766 245 E HA 0.707 5.057 4.350 -0.001 0.000 0.261 245 E C 0.698 177.353 176.600 0.091 0.000 1.427 245 E CA 0.975 57.416 56.400 0.068 0.000 1.085 245 E CB 0.200 29.931 29.700 0.052 0.000 1.074 245 E HN 2.187 nan 8.360 nan 0.000 0.651 246 S N -2.281 113.456 115.700 0.062 0.000 2.537 246 S HA 0.629 5.098 4.470 -0.001 0.000 0.270 246 S C -0.312 174.282 174.600 -0.010 0.000 1.142 246 S CA -0.276 57.926 58.200 0.003 0.000 0.870 246 S CB 0.311 63.501 63.200 -0.017 0.000 1.112 246 S HN 1.784 nan 8.310 nan 0.000 0.466 247 c N -0.127 118.460 118.600 -0.021 0.000 3.236 247 c HA 0.920 5.490 4.570 -0.001 0.000 0.312 247 c C 0.069 174.152 174.090 -0.013 0.000 1.374 247 c CA -0.671 55.657 56.329 -0.001 0.000 1.455 247 c CB 0.945 43.471 42.510 0.027 0.000 1.834 247 c HN 1.073 nan 8.230 nan 0.000 0.460 248 S N 0.624 116.318 115.700 -0.009 0.000 2.499 248 S HA 0.733 5.202 4.470 -0.001 0.000 0.279 248 S C -0.178 174.422 174.600 0.001 0.000 1.219 248 S CA 0.341 58.536 58.200 -0.008 0.000 1.062 248 S CB 0.184 63.379 63.200 -0.008 0.000 0.978 248 S HN 2.018 nan 8.310 nan 0.000 0.489 249 A N 3.762 126.592 122.820 0.016 0.000 2.486 249 A HA 0.646 4.965 4.320 -0.001 0.000 0.300 249 A C -0.161 177.443 177.584 0.034 0.000 1.048 249 A CA -0.736 51.309 52.037 0.013 0.000 0.696 249 A CB 1.457 20.455 19.000 -0.004 0.000 1.278 249 A HN 0.719 nan 8.150 nan 0.000 0.405 250 S N 1.768 117.482 115.700 0.025 0.000 2.671 250 S HA 0.132 4.601 4.470 -0.001 0.000 0.331 250 S C 0.156 174.787 174.600 0.050 0.000 1.182 250 S CA 0.267 58.486 58.200 0.032 0.000 1.276 250 S CB -0.913 62.296 63.200 0.015 0.000 1.360 250 S HN 0.584 nan 8.310 nan 0.000 0.563 251 M N 5.177 124.825 119.600 0.081 0.000 2.156 251 M HA 0.313 4.793 4.480 -0.001 0.000 0.345 251 M C -0.203 176.177 176.300 0.134 0.000 1.398 251 M CA 0.223 55.599 55.300 0.127 0.000 1.148 251 M CB -0.047 32.651 32.600 0.164 0.000 1.663 251 M HN 0.490 nan 8.290 nan 0.000 0.464 252 M N 3.898 123.520 119.600 0.036 0.000 2.227 252 M HA 0.361 4.841 4.480 -0.001 0.000 0.316 252 M C -0.894 175.517 176.300 0.184 0.000 1.144 252 M CA -0.287 55.005 55.300 -0.014 0.000 1.121 252 M CB 0.943 33.241 32.600 -0.504 0.000 1.440 252 M HN 0.662 nan 8.290 nan 0.000 0.473 253 Y N 0.562 120.960 120.300 0.164 0.000 2.581 253 Y HA 0.495 5.045 4.550 -0.001 0.000 0.337 253 Y C -1.639 174.339 175.900 0.130 0.000 1.108 253 Y CA -0.649 57.474 58.100 0.038 0.000 1.033 253 Y CB 1.651 39.990 38.460 -0.201 0.000 1.318 253 Y HN 0.750 nan 8.280 nan 0.000 0.459 254 Q N 2.591 121.659 119.800 -1.220 0.000 2.721 254 Q HA 0.424 4.764 4.340 -0.001 0.000 0.282 254 Q C -2.263 173.166 176.000 -0.951 0.000 0.932 254 Q CA -1.118 54.140 55.803 -0.908 0.000 0.816 254 Q CB 2.003 30.385 28.738 -0.593 0.000 1.506 254 Q HN 0.734 nan 8.270 nan 0.000 0.399 255 E N -0.174 119.730 120.200 -0.493 0.000 2.227 255 E HA 0.808 5.158 4.350 -0.001 0.000 0.268 255 E C -0.758 175.770 176.600 -0.121 0.000 0.907 255 E CA -0.602 55.652 56.400 -0.243 0.000 0.786 255 E CB 2.096 31.739 29.700 -0.094 0.000 1.191 255 E HN 0.853 nan 8.360 nan 0.000 0.411 256 G N 0.433 109.204 108.800 -0.049 0.000 2.313 256 G HA2 0.136 4.095 3.960 -0.001 0.000 0.296 256 G HA3 0.136 4.095 3.960 -0.001 0.000 0.296 256 G C -1.427 173.358 174.900 -0.191 0.000 1.356 256 G CA -0.807 44.201 45.100 -0.155 0.000 0.833 256 G HN 0.345 nan 8.290 nan 0.000 0.552 257 K N -0.795 119.359 120.400 -0.410 0.000 2.234 257 K HA 0.857 5.177 4.320 -0.001 0.000 0.282 257 K C -1.166 175.039 176.600 -0.658 0.000 1.039 257 K CA -0.683 55.400 56.287 -0.341 0.000 0.928 257 K CB 0.946 33.296 32.500 -0.250 0.000 1.039 257 K HN 0.749 nan 8.250 nan 0.000 0.470 258 F N -0.108 119.775 119.950 -0.113 0.000 2.631 258 F HA 0.436 4.963 4.527 -0.000 0.000 0.308 258 F C 0.326 176.105 175.800 -0.036 0.000 1.097 258 F CA -1.256 56.682 58.000 -0.103 0.000 0.952 258 F CB 2.315 41.216 39.000 -0.166 0.000 1.307 258 F HN 0.414 nan 8.300 nan 0.000 0.450 259 R N 1.880 122.494 120.500 0.189 0.000 2.370 259 R HA 0.301 4.640 4.340 -0.001 0.000 0.309 259 R C -1.383 175.021 176.300 0.173 0.000 1.059 259 R CA -0.093 56.089 56.100 0.137 0.000 0.981 259 R CB 0.447 30.804 30.300 0.095 0.000 0.972 259 R HN 0.685 nan 8.270 nan 0.000 0.437 260 Y N 1.813 122.119 120.300 0.009 0.000 2.638 260 Y HA 0.585 5.135 4.550 -0.001 0.000 0.339 260 Y C -1.273 174.624 175.900 -0.006 0.000 1.084 260 Y CA -1.360 56.730 58.100 -0.017 0.000 1.068 260 Y CB 1.969 40.424 38.460 -0.008 0.000 1.294 260 Y HN 0.500 nan 8.280 nan 0.000 0.480 261 R N 2.865 122.798 120.500 -0.945 0.000 2.808 261 R HA 0.329 4.668 4.340 -0.001 0.000 0.254 261 R C -2.465 173.317 176.300 -0.862 0.000 1.145 261 R CA -0.780 54.915 56.100 -0.674 0.000 1.066 261 R CB 0.827 30.949 30.300 -0.296 0.000 1.268 261 R HN 0.774 nan 8.270 nan 0.000 0.447 262 R N 4.074 124.259 120.500 -0.525 0.000 2.202 262 R HA 0.560 4.899 4.340 -0.001 0.000 0.334 262 R C -0.251 175.918 176.300 -0.219 0.000 1.036 262 R CA -0.138 55.786 56.100 -0.294 0.000 0.878 262 R CB 0.518 30.795 30.300 -0.038 0.000 1.067 262 R HN 0.538 nan 8.270 nan 0.000 0.457 263 V N 1.494 121.249 119.914 -0.265 0.000 3.815 263 V HA 0.816 4.935 4.120 -0.001 0.000 0.284 263 V C 0.392 176.443 176.094 -0.073 0.000 1.266 263 V CA -0.750 61.436 62.300 -0.189 0.000 0.923 263 V CB 0.358 31.952 31.823 -0.382 0.000 1.267 263 V HN 0.841 nan 8.190 nan 0.000 0.461 264 A N -0.774 122.059 122.820 0.022 0.000 2.466 264 A HA 0.342 4.661 4.320 -0.001 0.000 0.238 264 A C 0.756 178.363 177.584 0.039 0.000 1.074 264 A CA 0.723 52.796 52.037 0.059 0.000 0.774 264 A CB -0.869 18.206 19.000 0.126 0.000 1.015 264 A HN 1.190 nan 8.150 nan 0.000 0.498 265 E N -0.209 120.011 120.200 0.033 0.000 2.660 265 E HA -0.289 4.061 4.350 -0.001 0.000 0.260 265 E C 0.966 177.565 176.600 -0.001 0.000 1.122 265 E CA 1.079 57.493 56.400 0.023 0.000 0.755 265 E CB -1.837 27.889 29.700 0.043 0.000 1.345 265 E HN 2.201 nan 8.360 nan 0.000 0.421 266 G N -0.332 108.457 108.800 -0.019 0.000 2.153 266 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.252 266 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.252 266 G C 0.332 175.189 174.900 -0.071 0.000 0.994 266 G CA 0.748 45.826 45.100 -0.037 0.000 0.698 266 G HN 0.286 nan 8.290 nan 0.000 0.521 267 T N 0.590 115.082 114.554 -0.103 0.000 2.913 267 T HA 0.484 4.833 4.350 -0.001 0.000 0.297 267 T C 0.406 174.959 174.700 -0.245 0.000 1.029 267 T CA 0.325 62.325 62.100 -0.166 0.000 1.104 267 T CB 1.096 69.837 68.868 -0.212 0.000 0.964 267 T HN 0.406 nan 8.240 nan 0.000 0.532 268 Q N 1.473 121.156 119.800 -0.196 0.000 2.333 268 Q HA 0.605 4.944 4.340 -0.001 0.000 0.267 268 Q C -1.212 174.765 176.000 -0.038 0.000 1.012 268 Q CA -0.767 54.955 55.803 -0.136 0.000 0.824 268 Q CB 2.149 30.925 28.738 0.065 0.000 1.290 268 Q HN 0.370 nan 8.270 nan 0.000 0.449 269 V N 3.427 123.200 119.914 -0.234 0.000 2.495 269 V HA 0.551 4.671 4.120 -0.001 0.000 0.298 269 V C -0.976 175.029 176.094 -0.148 0.000 1.031 269 V CA -0.771 61.432 62.300 -0.162 0.000 0.871 269 V CB 1.656 33.296 31.823 -0.305 0.000 0.988 269 V HN 0.559 nan 8.190 nan 0.000 0.432 270 L N 3.717 124.844 121.223 -0.160 0.000 2.431 270 L HA 0.659 4.998 4.340 -0.001 0.000 0.266 270 L C -0.661 176.100 176.870 -0.182 0.000 0.978 270 L CA -0.100 54.553 54.840 -0.312 0.000 0.822 270 L CB 2.127 43.566 42.059 -1.032 0.000 1.310 270 L HN 0.810 nan 8.230 nan 0.000 0.409 271 E N 4.861 125.008 120.200 -0.088 0.000 2.176 271 E HA 0.528 4.877 4.350 -0.001 0.000 0.267 271 E C -1.783 174.827 176.600 0.016 0.000 0.893 271 E CA -0.615 55.792 56.400 0.011 0.000 0.761 271 E CB 1.207 30.955 29.700 0.080 0.000 1.133 271 E HN 0.680 nan 8.360 nan 0.000 0.409 272 L N 6.940 128.166 121.223 0.004 0.000 2.318 272 L HA 0.490 4.829 4.340 -0.001 0.000 0.277 272 L C -2.231 174.724 176.870 0.141 0.000 1.008 272 L CA -2.076 52.749 54.840 -0.025 0.000 0.846 272 L CB 1.291 43.106 42.059 -0.406 0.000 1.220 272 L HN 0.386 nan 8.230 nan 0.000 0.423 273 P HA 0.303 nan 4.420 nan 0.000 0.279 273 P C -0.915 176.501 177.300 0.193 0.000 1.252 273 P CA -0.284 62.942 63.100 0.211 0.000 0.811 273 P CB 1.074 32.883 31.700 0.182 0.000 1.035 274 F N -0.604 119.547 119.950 0.335 0.000 2.411 274 F HA 0.268 4.794 4.527 -0.001 0.000 0.324 274 F C 1.485 177.406 175.800 0.202 0.000 1.086 274 F CA -0.581 57.587 58.000 0.281 0.000 1.028 274 F CB 0.690 39.847 39.000 0.261 0.000 1.284 274 F HN 0.035 nan 8.300 nan 0.000 0.501 275 K N 0.525 121.135 120.400 0.351 0.000 2.466 275 K HA 0.366 4.685 4.320 -0.001 0.000 0.278 275 K C 0.708 177.426 176.600 0.197 0.000 1.048 275 K CA 0.843 57.258 56.287 0.212 0.000 1.088 275 K CB -0.239 32.354 32.500 0.154 0.000 0.884 275 K HN 0.993 nan 8.250 nan 0.000 0.478 276 G N 2.432 111.322 108.800 0.149 0.000 2.436 276 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.204 276 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.204 276 G C 0.348 175.322 174.900 0.122 0.000 1.026 276 G CA 0.377 45.552 45.100 0.125 0.000 0.658 276 G HN 0.792 nan 8.290 nan 0.000 0.499 277 D N 0.717 121.214 120.400 0.162 0.000 2.911 277 D HA -0.169 4.470 4.640 -0.001 0.000 0.199 277 D C 1.036 177.416 176.300 0.133 0.000 1.041 277 D CA 1.663 55.750 54.000 0.145 0.000 1.013 277 D CB -1.333 39.526 40.800 0.097 0.000 1.093 277 D HN 0.748 nan 8.370 nan 0.000 0.431 278 D N 0.612 121.089 120.400 0.127 0.000 2.349 278 D HA 0.019 4.659 4.640 -0.001 0.000 0.215 278 D C 0.971 177.328 176.300 0.095 0.000 1.016 278 D CA 0.287 54.344 54.000 0.094 0.000 0.870 278 D CB 0.586 41.428 40.800 0.070 0.000 0.917 278 D HN 0.337 nan 8.370 nan 0.000 0.524 279 I N 0.957 121.616 120.570 0.149 0.000 2.534 279 I HA 0.228 4.398 4.170 -0.001 0.000 0.288 279 I C -0.400 175.933 176.117 0.361 0.000 1.077 279 I CA -0.530 60.846 61.300 0.127 0.000 1.051 279 I CB 2.321 40.259 38.000 -0.103 0.000 1.234 279 I HN -0.109 nan 8.210 nan 0.000 0.425 280 T N 2.801 117.558 114.554 0.339 0.000 2.864 280 T HA 0.698 5.047 4.350 -0.001 0.000 0.289 280 T C -0.760 174.225 174.700 0.475 0.000 1.082 280 T CA -0.888 61.468 62.100 0.426 0.000 1.009 280 T CB 2.311 71.340 68.868 0.268 0.000 1.234 280 T HN 0.555 nan 8.240 nan 0.000 0.526 281 M N 2.281 122.163 119.600 0.469 0.000 2.243 281 M HA 0.675 5.154 4.480 -0.001 0.000 0.324 281 M C -1.923 174.584 176.300 0.344 0.000 1.031 281 M CA -0.729 54.868 55.300 0.495 0.000 0.949 281 M CB 1.454 34.439 32.600 0.642 0.000 1.615 281 M HN 0.587 nan 8.290 nan 0.000 0.430 282 V N 6.327 126.468 119.914 0.379 0.000 2.513 282 V HA 0.538 4.657 4.120 -0.001 0.000 0.299 282 V C -0.495 175.829 176.094 0.383 0.000 1.035 282 V CA -0.692 61.792 62.300 0.306 0.000 0.889 282 V CB 1.861 33.853 31.823 0.282 0.000 0.988 282 V HN 0.810 nan 8.190 nan 0.000 0.440 283 L N 5.506 126.878 121.223 0.248 0.000 2.346 283 L HA 0.656 4.996 4.340 -0.001 0.000 0.276 283 L C -1.165 175.918 176.870 0.356 0.000 1.006 283 L CA -0.663 54.377 54.840 0.332 0.000 0.817 283 L CB 1.894 44.068 42.059 0.192 0.000 1.272 283 L HN 0.416 nan 8.230 nan 0.000 0.421 284 I N 4.145 124.967 120.570 0.420 0.000 2.411 284 I HA 0.375 4.545 4.170 -0.001 0.000 0.284 284 I C -0.672 175.615 176.117 0.282 0.000 1.012 284 I CA -0.183 61.291 61.300 0.291 0.000 1.119 284 I CB 1.731 39.939 38.000 0.346 0.000 1.261 284 I HN 0.330 nan 8.210 nan 0.000 0.448 285 L N 9.980 131.297 121.223 0.157 0.000 2.319 285 L HA 0.752 5.091 4.340 -0.001 0.000 0.281 285 L C -2.461 174.377 176.870 -0.054 0.000 1.005 285 L CA -1.571 53.282 54.840 0.021 0.000 0.828 285 L CB 1.612 43.473 42.059 -0.330 0.000 1.227 285 L HN 0.309 nan 8.230 nan 0.000 0.415 286 P HA 0.213 nan 4.420 nan 0.000 0.276 286 P C -1.426 175.841 177.300 -0.056 0.000 1.252 286 P CA -0.645 62.445 63.100 -0.017 0.000 0.802 286 P CB 0.760 32.480 31.700 0.032 0.000 1.035 287 K N 1.128 121.497 120.400 -0.051 0.000 2.258 287 K HA 0.217 4.536 4.320 -0.001 0.000 0.264 287 K C -1.978 174.587 176.600 -0.057 0.000 1.007 287 K CA -1.358 54.892 56.287 -0.062 0.000 0.941 287 K CB -0.642 31.829 32.500 -0.047 0.000 0.966 287 K HN 0.102 nan 8.250 nan 0.000 0.480 288 P HA -0.304 nan 4.420 nan 0.000 0.218 288 P C 1.421 178.685 177.300 -0.060 0.000 1.152 288 P CA 2.534 65.585 63.100 -0.081 0.000 0.857 288 P CB -0.073 31.563 31.700 -0.107 0.000 0.787 289 E N 1.039 121.210 120.200 -0.049 0.000 1.997 289 E HA -0.188 4.161 4.350 -0.001 0.000 0.201 289 E C 1.090 177.678 176.600 -0.020 0.000 1.011 289 E CA 1.115 57.494 56.400 -0.034 0.000 0.847 289 E CB -1.435 28.248 29.700 -0.027 0.000 0.787 289 E HN 0.262 nan 8.360 nan 0.000 0.472 290 K N 1.396 121.789 120.400 -0.010 0.000 2.524 290 K HA 0.090 4.409 4.320 -0.001 0.000 0.279 290 K C 0.105 176.712 176.600 0.011 0.000 0.993 290 K CA 0.444 56.734 56.287 0.006 0.000 1.030 290 K CB 0.248 32.758 32.500 0.017 0.000 0.891 290 K HN 0.541 nan 8.250 nan 0.000 0.488 291 S N 3.535 119.247 115.700 0.020 0.000 2.652 291 S HA 0.098 4.568 4.470 -0.001 0.000 0.270 291 S C 1.071 175.701 174.600 0.050 0.000 1.243 291 S CA -0.946 57.270 58.200 0.027 0.000 0.999 291 S CB 1.264 64.477 63.200 0.022 0.000 0.973 291 S HN 0.657 nan 8.310 nan 0.000 0.544 292 L N 2.071 123.330 121.223 0.061 0.000 2.012 292 L HA 0.029 4.368 4.340 -0.001 0.000 0.210 292 L C 2.784 179.713 176.870 0.099 0.000 1.073 292 L CA 2.442 57.337 54.840 0.092 0.000 0.748 292 L CB -1.673 40.444 42.059 0.097 0.000 0.891 292 L HN 0.994 nan 8.230 nan 0.000 0.431 293 A N -0.808 122.055 122.820 0.073 0.000 1.903 293 A HA -0.330 3.989 4.320 -0.001 0.000 0.219 293 A C 2.437 180.061 177.584 0.067 0.000 1.191 293 A CA 2.627 54.701 52.037 0.062 0.000 0.638 293 A CB -0.879 18.140 19.000 0.031 0.000 0.823 293 A HN 0.381 nan 8.150 nan 0.000 0.451 294 K N -1.105 119.331 120.400 0.060 0.000 2.020 294 K HA -0.159 4.160 4.320 -0.001 0.000 0.212 294 K C 2.121 178.774 176.600 0.088 0.000 1.050 294 K CA 1.511 57.834 56.287 0.060 0.000 0.929 294 K CB -1.527 31.005 32.500 0.054 0.000 0.714 294 K HN 0.485 nan 8.250 nan 0.000 0.443 295 V N 1.728 121.714 119.914 0.120 0.000 2.282 295 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 295 V C 2.376 178.571 176.094 0.168 0.000 1.057 295 V CA 2.297 64.703 62.300 0.176 0.000 1.032 295 V CB -0.799 31.158 31.823 0.222 0.000 0.645 295 V HN 0.560 nan 8.190 nan 0.000 0.447 296 E N 0.651 120.951 120.200 0.167 0.000 2.160 296 E HA -0.218 4.132 4.350 -0.001 0.000 0.195 296 E C 2.372 179.050 176.600 0.131 0.000 0.991 296 E CA 1.626 58.141 56.400 0.191 0.000 0.810 296 E CB -0.326 29.525 29.700 0.252 0.000 0.742 296 E HN 0.722 nan 8.360 nan 0.000 0.466 297 K N 1.385 121.836 120.400 0.086 0.000 2.439 297 K HA -0.095 4.224 4.320 -0.001 0.000 0.197 297 K C 1.466 178.084 176.600 0.030 0.000 1.041 297 K CA 1.273 57.587 56.287 0.046 0.000 0.970 297 K CB -0.398 32.118 32.500 0.028 0.000 0.773 297 K HN 0.234 nan 8.250 nan 0.000 0.479 298 E N -0.768 119.455 120.200 0.038 0.000 2.489 298 E HA 0.164 4.514 4.350 -0.001 0.000 0.204 298 E C -0.203 176.361 176.600 -0.060 0.000 1.006 298 E CA -0.521 55.879 56.400 -0.001 0.000 0.936 298 E CB 0.254 29.971 29.700 0.029 0.000 1.002 298 E HN 0.295 nan 8.360 nan 0.000 0.488 299 L N 2.950 124.159 121.223 -0.024 0.000 2.600 299 L HA 0.077 4.416 4.340 -0.001 0.000 0.278 299 L C 0.000 176.819 176.870 -0.084 0.000 1.139 299 L CA 0.590 55.385 54.840 -0.075 0.000 0.933 299 L CB -0.207 41.879 42.059 0.046 0.000 1.266 299 L HN -0.003 nan 8.230 nan 0.000 0.471 300 T N 1.596 116.049 114.554 -0.167 0.000 2.930 300 T HA 0.554 4.904 4.350 -0.001 0.000 0.290 300 T C -1.984 172.617 174.700 -0.166 0.000 1.052 300 T CA -1.925 60.098 62.100 -0.129 0.000 1.017 300 T CB 1.677 70.473 68.868 -0.121 0.000 1.137 300 T HN 0.195 nan 8.240 nan 0.000 0.511 301 P HA -0.165 nan 4.420 nan 0.000 0.216 301 P C 1.619 178.826 177.300 -0.155 0.000 1.153 301 P CA 1.198 64.225 63.100 -0.121 0.000 0.858 301 P CB 0.104 31.755 31.700 -0.082 0.000 0.789 302 E N -0.616 119.494 120.200 -0.150 0.000 2.152 302 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 302 E C 1.957 178.420 176.600 -0.228 0.000 0.983 302 E CA 1.039 57.348 56.400 -0.151 0.000 0.818 302 E CB -1.350 28.282 29.700 -0.114 0.000 0.758 302 E HN 0.113 nan 8.360 nan 0.000 0.467 303 V N 1.805 121.522 119.914 -0.328 0.000 2.270 303 V HA -0.234 3.885 4.120 -0.001 0.000 0.245 303 V C 2.538 178.154 176.094 -0.797 0.000 1.043 303 V CA 1.629 63.579 62.300 -0.583 0.000 1.014 303 V CB -0.667 30.758 31.823 -0.663 0.000 0.645 303 V HN 0.172 nan 8.190 nan 0.000 0.447 304 L N 0.369 121.223 121.223 -0.615 0.000 2.013 304 L HA -0.234 4.105 4.340 -0.001 0.000 0.212 304 L C 2.468 179.219 176.870 -0.199 0.000 1.073 304 L CA 2.545 57.126 54.840 -0.431 0.000 0.753 304 L CB -0.945 40.881 42.059 -0.388 0.000 0.890 304 L HN 0.435 nan 8.230 nan 0.000 0.432 305 Q N -0.017 119.678 119.800 -0.175 0.000 2.084 305 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 305 Q C 2.178 178.164 176.000 -0.022 0.000 0.978 305 Q CA 2.530 58.291 55.803 -0.071 0.000 0.844 305 Q CB -0.433 28.267 28.738 -0.062 0.000 0.898 305 Q HN 0.654 nan 8.270 nan 0.000 0.426 306 E N -0.456 119.701 120.200 -0.072 0.000 2.110 306 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 306 E C 1.582 178.268 176.600 0.143 0.000 0.988 306 E CA 1.437 57.837 56.400 -0.001 0.000 0.804 306 E CB -1.238 28.426 29.700 -0.059 0.000 0.745 306 E HN 0.593 nan 8.360 nan 0.000 0.458 307 W N 0.427 121.702 121.300 -0.041 0.000 2.354 307 W HA 0.014 4.673 4.660 -0.001 0.000 0.315 307 W C 2.355 178.849 176.519 -0.042 0.000 1.206 307 W CA 1.000 58.318 57.345 -0.046 0.000 1.290 307 W CB -1.194 28.231 29.460 -0.058 0.000 1.152 307 W HN 0.289 nan 8.180 nan 0.000 0.489 308 L N -0.019 121.329 121.223 0.209 0.000 2.127 308 L HA -0.231 4.108 4.340 -0.001 0.000 0.211 308 L C 1.991 178.913 176.870 0.086 0.000 1.089 308 L CA 1.396 56.302 54.840 0.111 0.000 0.757 308 L CB -0.891 41.212 42.059 0.074 0.000 0.899 308 L HN -0.086 nan 8.230 nan 0.000 0.434 309 D N 0.127 120.579 120.400 0.087 0.000 2.178 309 D HA -0.150 4.490 4.640 -0.001 0.000 0.202 309 D C 1.930 178.269 176.300 0.064 0.000 0.974 309 D CA 1.038 55.079 54.000 0.069 0.000 0.841 309 D CB -0.034 40.804 40.800 0.063 0.000 0.953 309 D HN 0.471 nan 8.370 nan 0.000 0.478 310 E N 0.225 120.471 120.200 0.077 0.000 2.418 310 E HA 0.017 4.367 4.350 -0.001 0.000 0.197 310 E C 0.559 177.177 176.600 0.029 0.000 1.026 310 E CA -0.106 56.327 56.400 0.056 0.000 0.862 310 E CB 0.229 29.969 29.700 0.067 0.000 0.799 310 E HN 0.270 nan 8.360 nan 0.000 0.518 311 L N 2.354 123.596 121.223 0.032 0.000 2.485 311 L HA 0.023 4.362 4.340 -0.001 0.000 0.275 311 L C 0.425 177.320 176.870 0.042 0.000 1.207 311 L CA 0.535 55.388 54.840 0.023 0.000 0.855 311 L CB 0.173 42.253 42.059 0.035 0.000 1.114 311 L HN 0.135 nan 8.230 nan 0.000 0.485 312 E N 1.899 122.134 120.200 0.058 0.000 2.352 312 E HA 0.274 4.623 4.350 -0.001 0.000 0.280 312 E C -1.264 175.386 176.600 0.083 0.000 0.930 312 E CA -0.934 55.502 56.400 0.062 0.000 0.765 312 E CB 1.573 31.306 29.700 0.055 0.000 1.219 312 E HN 0.516 nan 8.360 nan 0.000 0.434 313 E N 3.553 123.787 120.200 0.056 0.000 2.452 313 E HA 0.073 4.422 4.350 -0.001 0.000 0.261 313 E C -0.836 175.791 176.600 0.045 0.000 0.987 313 E CA 0.547 56.973 56.400 0.044 0.000 0.926 313 E CB 0.672 30.371 29.700 -0.001 0.000 0.934 313 E HN 0.452 nan 8.360 nan 0.000 0.452 314 M N 3.414 123.039 119.600 0.042 0.000 2.520 314 M HA 0.256 4.736 4.480 -0.001 0.000 0.283 314 M C -0.949 175.338 176.300 -0.022 0.000 1.237 314 M CA -1.014 54.295 55.300 0.015 0.000 0.885 314 M CB 2.191 34.805 32.600 0.023 0.000 1.727 314 M HN 0.501 nan 8.290 nan 0.000 0.468 315 M N 4.626 124.201 119.600 -0.042 0.000 2.144 315 M HA 0.634 5.114 4.480 -0.001 0.000 0.356 315 M C -1.248 175.018 176.300 -0.056 0.000 1.217 315 M CA -0.312 54.956 55.300 -0.054 0.000 1.087 315 M CB -0.008 32.562 32.600 -0.051 0.000 1.609 315 M HN 0.744 nan 8.290 nan 0.000 0.467 316 L N 3.785 124.985 121.223 -0.038 0.000 2.838 316 L HA 0.806 5.145 4.340 -0.001 0.000 0.266 316 L C -1.521 175.306 176.870 -0.071 0.000 1.040 316 L CA -1.131 53.662 54.840 -0.078 0.000 0.906 316 L CB 1.810 43.756 42.059 -0.188 0.000 1.501 316 L HN 0.717 nan 8.230 nan 0.000 0.407 317 c N 0.247 118.797 118.600 -0.084 0.000 2.391 317 c HA 0.934 5.503 4.570 -0.001 0.000 0.339 317 c C 0.014 174.006 174.090 -0.164 0.000 1.205 317 c CA -0.761 55.475 56.329 -0.154 0.000 1.937 317 c CB 0.589 43.135 42.510 0.061 0.000 2.341 317 c HN 0.594 nan 8.230 nan 0.000 0.516 318 V N 1.844 121.547 119.914 -0.351 0.000 2.588 318 V HA 0.413 4.532 4.120 -0.001 0.000 0.304 318 V C -0.856 175.183 176.094 -0.092 0.000 1.042 318 V CA -0.274 61.921 62.300 -0.175 0.000 0.877 318 V CB 1.397 33.013 31.823 -0.344 0.000 0.996 318 V HN 0.977 nan 8.190 nan 0.000 0.425 319 H N 4.593 123.774 119.070 0.186 0.000 2.595 319 H HA 0.694 5.250 4.556 -0.001 0.000 0.313 319 H C -0.274 175.129 175.328 0.125 0.000 1.023 319 H CA -0.143 56.032 56.048 0.212 0.000 1.218 319 H CB 1.431 31.318 29.762 0.209 0.000 1.403 319 H HN 0.674 nan 8.280 nan 0.000 0.477 320 M N 6.076 125.762 119.600 0.143 0.000 2.393 320 M HA 0.519 4.999 4.480 -0.001 0.000 0.299 320 M C -3.115 173.205 176.300 0.034 0.000 1.103 320 M CA -1.993 53.328 55.300 0.034 0.000 0.910 320 M CB 2.767 35.310 32.600 -0.094 0.000 1.659 320 M HN 0.312 nan 8.290 nan 0.000 0.445 321 P HA 0.346 nan 4.420 nan 0.000 0.282 321 P C -1.420 175.995 177.300 0.190 0.000 1.259 321 P CA -0.374 62.828 63.100 0.169 0.000 0.826 321 P CB 1.031 32.857 31.700 0.209 0.000 1.064 322 R N 1.341 121.887 120.500 0.076 0.000 2.594 322 R HA 0.492 4.831 4.340 -0.001 0.000 0.272 322 R C 0.033 176.421 176.300 0.146 0.000 1.074 322 R CA 0.224 56.335 56.100 0.019 0.000 1.105 322 R CB -0.003 30.281 30.300 -0.026 0.000 1.008 322 R HN 0.570 nan 8.270 nan 0.000 0.472 323 F N -1.230 118.722 119.950 0.003 0.000 2.693 323 F HA 0.576 5.102 4.527 -0.001 0.000 0.309 323 F C -1.259 174.512 175.800 -0.047 0.000 1.129 323 F CA -1.508 56.471 58.000 -0.035 0.000 0.948 323 F CB 1.533 40.514 39.000 -0.030 0.000 1.315 323 F HN 0.267 nan 8.300 nan 0.000 0.447 324 R N 3.694 124.293 120.500 0.165 0.000 2.502 324 R HA 0.740 5.080 4.340 -0.001 0.000 0.298 324 R C -1.862 174.489 176.300 0.085 0.000 1.018 324 R CA -0.593 55.530 56.100 0.038 0.000 0.899 324 R CB 1.133 31.410 30.300 -0.039 0.000 1.181 324 R HN 0.928 nan 8.270 nan 0.000 0.444 325 I N -0.788 119.806 120.570 0.040 0.000 2.785 325 I HA 0.693 4.862 4.170 -0.001 0.000 0.302 325 I C -0.757 175.356 176.117 -0.006 0.000 1.069 325 I CA -0.886 60.417 61.300 0.005 0.000 1.045 325 I CB 2.665 40.658 38.000 -0.011 0.000 1.236 325 I HN 0.557 nan 8.210 nan 0.000 0.429 326 E N 1.993 122.316 120.200 0.205 0.000 2.433 326 E HA 0.239 4.588 4.350 -0.001 0.000 0.273 326 E C -1.526 175.360 176.600 0.477 0.000 0.950 326 E CA -0.753 55.869 56.400 0.370 0.000 0.796 326 E CB 1.961 31.802 29.700 0.235 0.000 1.330 326 E HN 0.758 nan 8.360 nan 0.000 0.455 327 D N 0.122 120.787 120.400 0.442 0.000 2.943 327 D HA 0.140 4.780 4.640 -0.001 0.000 0.249 327 D C -0.030 176.281 176.300 0.018 0.000 1.231 327 D CA -0.514 53.646 54.000 0.266 0.000 0.979 327 D CB -0.088 40.797 40.800 0.141 0.000 1.053 327 D HN 0.499 nan 8.370 nan 0.000 0.504 328 G N 1.433 110.346 108.800 0.189 0.000 2.770 328 G HA2 0.458 4.417 3.960 -0.001 0.000 0.307 328 G HA3 0.458 4.417 3.960 -0.001 0.000 0.307 328 G C -0.634 174.424 174.900 0.263 0.000 0.863 328 G CA -0.580 44.613 45.100 0.155 0.000 1.595 328 G HN 0.410 nan 8.290 nan 0.000 0.496 329 F N -0.513 119.604 119.950 0.278 0.000 2.741 329 F HA 0.684 5.210 4.527 -0.001 0.000 0.311 329 F C -0.604 175.348 175.800 0.253 0.000 1.149 329 F CA -1.975 56.141 58.000 0.192 0.000 0.930 329 F CB 1.247 40.324 39.000 0.128 0.000 1.312 329 F HN 0.078 nan 8.300 nan 0.000 0.450 330 S N 2.444 118.428 115.700 0.474 0.000 2.439 330 S HA 0.350 4.819 4.470 -0.001 0.000 0.282 330 S C 0.831 175.681 174.600 0.417 0.000 1.170 330 S CA -0.688 57.726 58.200 0.356 0.000 1.054 330 S CB 0.372 63.682 63.200 0.183 0.000 0.956 330 S HN 0.833 nan 8.310 nan 0.000 0.490 331 L N 5.186 126.618 121.223 0.348 0.000 1.994 331 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 331 L C 2.659 179.658 176.870 0.216 0.000 1.071 331 L CA 1.515 56.562 54.840 0.345 0.000 0.745 331 L CB -0.416 41.788 42.059 0.241 0.000 0.892 331 L HN 0.761 nan 8.230 nan 0.000 0.431 332 K N 0.161 120.596 120.400 0.059 0.000 2.001 332 K HA -0.308 4.012 4.320 -0.001 0.000 0.214 332 K C 1.889 178.304 176.600 -0.309 0.000 1.050 332 K CA 2.264 58.341 56.287 -0.349 0.000 0.934 332 K CB -0.127 32.029 32.500 -0.573 0.000 0.718 332 K HN 0.241 nan 8.250 nan 0.000 0.443 333 E N 0.263 120.375 120.200 -0.147 0.000 2.049 333 E HA -0.270 4.079 4.350 -0.001 0.000 0.198 333 E C 2.157 178.719 176.600 -0.063 0.000 1.007 333 E CA 1.938 58.283 56.400 -0.091 0.000 0.809 333 E CB -0.068 29.623 29.700 -0.015 0.000 0.749 333 E HN 0.261 nan 8.360 nan 0.000 0.450 334 Q N 0.109 119.900 119.800 -0.016 0.000 2.096 334 Q HA -0.117 4.223 4.340 -0.001 0.000 0.204 334 Q C 2.003 177.871 176.000 -0.220 0.000 0.982 334 Q CA 1.406 57.144 55.803 -0.109 0.000 0.850 334 Q CB -0.120 28.530 28.738 -0.146 0.000 0.901 334 Q HN 0.328 nan 8.270 nan 0.000 0.422 335 L N -0.395 120.792 121.223 -0.060 0.000 2.109 335 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 335 L C 2.457 179.288 176.870 -0.066 0.000 1.086 335 L CA 1.090 55.894 54.840 -0.060 0.000 0.760 335 L CB -0.365 41.723 42.059 0.048 0.000 0.910 335 L HN 0.311 nan 8.230 nan 0.000 0.437 336 Q N -0.145 119.632 119.800 -0.039 0.000 2.061 336 Q HA -0.279 4.060 4.340 -0.001 0.000 0.204 336 Q C 1.631 177.603 176.000 -0.046 0.000 0.984 336 Q CA 2.011 57.816 55.803 0.003 0.000 0.846 336 Q CB -0.185 28.526 28.738 -0.044 0.000 0.902 336 Q HN 0.369 nan 8.270 nan 0.000 0.421 337 D N -0.495 119.855 120.400 -0.084 0.000 2.378 337 D HA -0.078 4.561 4.640 -0.001 0.000 0.222 337 D C 1.311 177.527 176.300 -0.140 0.000 0.980 337 D CA 0.784 54.752 54.000 -0.054 0.000 0.907 337 D CB 0.200 41.036 40.800 0.059 0.000 0.899 337 D HN 0.194 nan 8.370 nan 0.000 0.527 338 M N -2.101 117.328 119.600 -0.285 0.000 2.492 338 M HA 0.262 4.741 4.480 -0.001 0.000 0.255 338 M C 1.378 177.572 176.300 -0.176 0.000 1.139 338 M CA 0.677 55.777 55.300 -0.333 0.000 1.096 338 M CB 1.198 33.501 32.600 -0.494 0.000 1.360 338 M HN 0.182 nan 8.290 nan 0.000 0.480 339 G N 0.437 109.171 108.800 -0.111 0.000 2.738 339 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.195 339 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.195 339 G C -0.395 174.490 174.900 -0.025 0.000 1.001 339 G CA -0.714 44.348 45.100 -0.063 0.000 0.759 339 G HN 0.200 nan 8.290 nan 0.000 0.494 340 L N 2.949 124.163 121.223 -0.014 0.000 2.385 340 L HA 0.686 5.026 4.340 -0.001 0.000 0.285 340 L C 1.127 178.119 176.870 0.202 0.000 1.125 340 L CA 0.268 55.147 54.840 0.064 0.000 0.890 340 L CB 0.979 43.080 42.059 0.070 0.000 1.251 340 L HN 0.021 nan 8.230 nan 0.000 0.445 341 V N 2.651 122.649 119.914 0.140 0.000 2.854 341 V HA 0.049 4.169 4.120 -0.001 0.000 0.236 341 V C 1.464 177.655 176.094 0.162 0.000 1.157 341 V CA 0.632 63.039 62.300 0.179 0.000 1.187 341 V CB -0.034 31.845 31.823 0.094 0.000 0.949 341 V HN 0.580 nan 8.190 nan 0.000 0.488 342 D N 0.920 121.369 120.400 0.082 0.000 2.104 342 D HA -0.200 4.439 4.640 -0.001 0.000 0.194 342 D C 1.912 178.235 176.300 0.038 0.000 0.994 342 D CA 1.375 55.409 54.000 0.058 0.000 0.830 342 D CB -0.446 40.378 40.800 0.040 0.000 0.959 342 D HN 0.270 nan 8.370 nan 0.000 0.452 343 L N -0.343 120.848 121.223 -0.054 0.000 2.137 343 L HA -0.193 4.146 4.340 -0.001 0.000 0.213 343 L C 1.429 178.189 176.870 -0.184 0.000 1.085 343 L CA 1.632 56.360 54.840 -0.187 0.000 0.760 343 L CB -0.407 41.418 42.059 -0.389 0.000 0.893 343 L HN -0.033 nan 8.230 nan 0.000 0.434 344 F N -1.726 118.330 119.950 0.176 0.000 2.746 344 F HA 0.280 4.806 4.527 -0.001 0.000 0.297 344 F C 1.537 177.419 175.800 0.137 0.000 1.113 344 F CA 0.196 58.320 58.000 0.207 0.000 1.367 344 F CB -0.556 38.533 39.000 0.149 0.000 1.111 344 F HN 0.034 nan 8.300 nan 0.000 0.590 345 S N 1.862 117.670 115.700 0.180 0.000 2.439 345 S HA 0.206 4.676 4.470 -0.001 0.000 0.282 345 S C -1.674 172.808 174.600 -0.196 0.000 1.170 345 S CA -1.413 56.781 58.200 -0.012 0.000 1.054 345 S CB 1.017 64.228 63.200 0.018 0.000 0.956 345 S HN -0.133 nan 8.310 nan 0.000 0.490 346 P HA -0.094 nan 4.420 nan 0.000 0.218 346 P C 1.385 178.554 177.300 -0.218 0.000 1.146 346 P CA 0.805 63.470 63.100 -0.725 0.000 0.813 346 P CB 0.182 31.447 31.700 -0.726 0.000 0.778 347 E N -0.028 120.089 120.200 -0.139 0.000 2.057 347 E HA -0.047 4.302 4.350 -0.001 0.000 0.190 347 E C 1.612 178.201 176.600 -0.019 0.000 0.969 347 E CA 0.900 57.266 56.400 -0.057 0.000 0.812 347 E CB -0.764 28.908 29.700 -0.046 0.000 0.777 347 E HN 0.305 nan 8.360 nan 0.000 0.455 348 K N 0.777 121.170 120.400 -0.011 0.000 2.459 348 K HA 0.222 4.541 4.320 -0.001 0.000 0.193 348 K C 1.095 177.713 176.600 0.031 0.000 1.030 348 K CA 0.321 56.616 56.287 0.014 0.000 1.026 348 K CB 0.201 32.713 32.500 0.020 0.000 0.809 348 K HN 0.095 nan 8.250 nan 0.000 0.504 349 S N 1.741 117.467 115.700 0.044 0.000 2.525 349 S HA 0.039 4.509 4.470 -0.001 0.000 0.285 349 S C -0.225 174.407 174.600 0.055 0.000 1.283 349 S CA -0.141 58.100 58.200 0.069 0.000 1.072 349 S CB 0.277 63.566 63.200 0.149 0.000 0.867 349 S HN -0.029 nan 8.310 nan 0.000 0.492 350 K N 5.102 125.526 120.400 0.041 0.000 2.484 350 K HA 0.425 4.745 4.320 -0.001 0.000 0.226 350 K C -0.746 175.868 176.600 0.023 0.000 1.031 350 K CA 0.035 56.342 56.287 0.034 0.000 1.026 350 K CB 0.460 32.982 32.500 0.037 0.000 1.412 350 K HN 0.617 nan 8.250 nan 0.000 0.492 351 L N 4.438 125.668 121.223 0.012 0.000 2.999 351 L HA 0.286 4.626 4.340 -0.001 0.000 0.263 351 L C -1.738 175.112 176.870 -0.032 0.000 1.320 351 L CA -1.549 53.281 54.840 -0.016 0.000 0.913 351 L CB 1.011 43.050 42.059 -0.034 0.000 1.296 351 L HN 0.287 nan 8.230 nan 0.000 0.546 352 P HA -0.182 nan 4.420 nan 0.000 0.215 352 P C 1.753 179.034 177.300 -0.031 0.000 1.157 352 P CA 1.451 64.541 63.100 -0.016 0.000 0.874 352 P CB 0.217 31.918 31.700 0.002 0.000 0.790 353 G N -1.399 107.384 108.800 -0.028 0.000 2.501 353 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.220 353 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.220 353 G C 1.177 176.006 174.900 -0.118 0.000 1.114 353 G CA 0.702 45.787 45.100 -0.024 0.000 0.757 353 G HN 0.223 nan 8.290 nan 0.000 0.559 354 I N -1.302 119.133 120.570 -0.224 0.000 2.947 354 I HA 0.287 4.456 4.170 -0.001 0.000 0.263 354 I C 0.351 176.427 176.117 -0.069 0.000 1.130 354 I CA 0.441 61.531 61.300 -0.350 0.000 1.448 354 I CB 0.744 38.476 38.000 -0.446 0.000 1.222 354 I HN -0.042 nan 8.210 nan 0.000 0.453 355 V N 0.362 120.229 119.914 -0.079 0.000 2.777 355 V HA 0.825 4.945 4.120 -0.001 0.000 0.306 355 V C -0.622 175.424 176.094 -0.081 0.000 1.112 355 V CA -0.642 61.588 62.300 -0.117 0.000 0.917 355 V CB 1.496 33.189 31.823 -0.217 0.000 1.018 355 V HN 0.191 nan 8.190 nan 0.000 0.426 356 A N 4.405 127.181 122.820 -0.073 0.000 2.301 356 A HA 0.915 5.235 4.320 -0.001 0.000 0.287 356 A C 0.285 177.843 177.584 -0.042 0.000 1.274 356 A CA 0.650 52.660 52.037 -0.045 0.000 0.865 356 A CB 0.494 19.474 19.000 -0.033 0.000 1.324 356 A HN 1.236 nan 8.150 nan 0.000 0.508 357 E N -3.494 116.691 120.200 -0.025 0.000 3.714 357 E HA -0.138 4.211 4.350 -0.001 0.000 0.224 357 E C 0.343 176.938 176.600 -0.008 0.000 1.347 357 E CA 0.724 57.112 56.400 -0.019 0.000 2.058 357 E CB -1.490 28.194 29.700 -0.028 0.000 2.056 357 E HN 1.456 nan 8.360 nan 0.000 0.544 358 G N -1.376 107.421 108.800 -0.005 0.000 4.541 358 G HA2 0.369 4.328 3.960 -0.001 0.000 0.246 358 G HA3 0.369 4.328 3.960 -0.001 0.000 0.246 358 G C 0.615 175.519 174.900 0.007 0.000 1.034 358 G CA 1.239 46.342 45.100 0.005 0.000 0.818 358 G HN 0.575 nan 8.290 nan 0.000 0.359 359 R N 1.186 121.687 120.500 0.002 0.000 2.151 359 R HA 0.046 4.386 4.340 -0.001 0.000 0.220 359 R C 0.531 176.843 176.300 0.020 0.000 1.120 359 R CA 1.785 57.889 56.100 0.006 0.000 0.882 359 R CB -1.253 29.047 30.300 -0.001 0.000 0.806 359 R HN 0.260 nan 8.270 nan 0.000 0.440 360 D N 0.853 121.270 120.400 0.029 0.000 2.392 360 D HA 0.326 4.965 4.640 -0.001 0.000 0.228 360 D C -1.342 175.002 176.300 0.073 0.000 1.074 360 D CA -0.470 53.567 54.000 0.061 0.000 0.838 360 D CB 1.234 42.080 40.800 0.075 0.000 1.067 360 D HN 0.344 nan 8.370 nan 0.000 0.511 361 D N 0.855 121.310 120.400 0.091 0.000 2.341 361 D HA 0.180 4.820 4.640 -0.001 0.000 0.245 361 D C -0.143 176.274 176.300 0.195 0.000 1.106 361 D CA -0.413 53.647 54.000 0.101 0.000 0.905 361 D CB 1.107 41.952 40.800 0.076 0.000 1.202 361 D HN 0.153 nan 8.370 nan 0.000 0.426 362 L N 4.024 125.323 121.223 0.126 0.000 2.410 362 L HA 0.264 4.603 4.340 -0.001 0.000 0.273 362 L C -1.038 175.939 176.870 0.178 0.000 1.144 362 L CA 0.169 55.073 54.840 0.106 0.000 0.863 362 L CB -0.307 41.768 42.059 0.027 0.000 1.140 362 L HN 0.352 nan 8.230 nan 0.000 0.463 363 Y N 2.300 122.619 120.300 0.031 0.000 2.625 363 Y HA 0.667 5.217 4.550 -0.001 0.000 0.338 363 Y C -1.106 174.817 175.900 0.039 0.000 1.123 363 Y CA -1.723 56.390 58.100 0.022 0.000 1.046 363 Y CB 0.690 39.178 38.460 0.048 0.000 1.299 363 Y HN 0.126 nan 8.280 nan 0.000 0.464 364 V N 2.964 122.882 119.914 0.006 0.000 2.427 364 V HA 0.138 4.258 4.120 -0.001 0.000 0.268 364 V C 0.753 176.946 176.094 0.165 0.000 1.046 364 V CA 0.666 62.959 62.300 -0.011 0.000 0.970 364 V CB 0.465 32.290 31.823 0.004 0.000 1.001 364 V HN 1.004 nan 8.190 nan 0.000 0.476 365 S N 2.567 118.208 115.700 -0.099 0.000 2.446 365 S HA 0.110 4.580 4.470 -0.001 0.000 0.225 365 S C 0.406 175.015 174.600 0.015 0.000 1.016 365 S CA 0.096 58.309 58.200 0.022 0.000 0.943 365 S CB 0.256 63.374 63.200 -0.136 0.000 0.786 365 S HN 0.749 nan 8.310 nan 0.000 0.508 366 D N -0.110 120.241 120.400 -0.082 0.000 2.769 366 D HA 0.530 5.169 4.640 -0.001 0.000 0.219 366 D C -1.827 174.270 176.300 -0.338 0.000 1.245 366 D CA -0.275 53.534 54.000 -0.317 0.000 0.801 366 D CB 2.210 42.565 40.800 -0.741 0.000 1.598 366 D HN 0.212 nan 8.370 nan 0.000 0.485 367 A N 2.588 125.247 122.820 -0.268 0.000 2.508 367 A HA 0.556 4.875 4.320 -0.001 0.000 0.336 367 A C -0.971 176.578 177.584 -0.058 0.000 1.360 367 A CA -0.483 51.536 52.037 -0.030 0.000 0.841 367 A CB -0.330 18.897 19.000 0.379 0.000 1.136 367 A HN 0.267 nan 8.150 nan 0.000 0.489 368 F N 2.327 122.366 119.950 0.149 0.000 2.420 368 F HA 0.484 5.010 4.527 -0.001 0.000 0.352 368 F C 0.968 176.813 175.800 0.074 0.000 1.108 368 F CA 0.134 58.160 58.000 0.043 0.000 1.162 368 F CB 0.725 39.722 39.000 -0.006 0.000 1.118 368 F HN 0.736 nan 8.300 nan 0.000 0.510 369 H N -0.182 119.033 119.070 0.242 0.000 2.821 369 H HA 0.814 5.369 4.556 -0.001 0.000 0.373 369 H C -1.356 174.061 175.328 0.149 0.000 1.165 369 H CA -1.521 54.627 56.048 0.167 0.000 1.154 369 H CB 1.977 31.803 29.762 0.107 0.000 1.765 369 H HN 0.370 nan 8.280 nan 0.000 0.549 370 K N 1.604 122.131 120.400 0.211 0.000 2.619 370 K HA 0.754 5.073 4.320 -0.001 0.000 0.251 370 K C -2.094 174.694 176.600 0.312 0.000 0.987 370 K CA -0.213 56.213 56.287 0.232 0.000 0.844 370 K CB 1.513 34.142 32.500 0.214 0.000 1.237 370 K HN 1.054 nan 8.250 nan 0.000 0.447 371 A N 3.766 126.813 122.820 0.378 0.000 2.517 371 A HA 0.823 5.143 4.320 -0.001 0.000 0.297 371 A C -1.625 176.310 177.584 0.585 0.000 1.050 371 A CA -0.694 51.578 52.037 0.392 0.000 0.694 371 A CB 0.449 19.704 19.000 0.426 0.000 1.277 371 A HN 0.732 nan 8.150 nan 0.000 0.400 372 F N 0.133 120.384 119.950 0.502 0.000 2.711 372 F HA 0.899 5.426 4.527 -0.001 0.000 0.313 372 F C -1.637 174.028 175.800 -0.225 0.000 1.141 372 F CA -1.660 56.428 58.000 0.147 0.000 0.941 372 F CB 1.533 40.551 39.000 0.031 0.000 1.349 372 F HN 0.594 nan 8.300 nan 0.000 0.464 373 L N 1.566 122.617 121.223 -0.286 0.000 2.516 373 L HA 0.526 4.866 4.340 -0.001 0.000 0.267 373 L C -1.503 175.265 176.870 -0.171 0.000 0.957 373 L CA -0.292 54.353 54.840 -0.325 0.000 0.860 373 L CB 2.032 43.709 42.059 -0.637 0.000 1.265 373 L HN 0.881 nan 8.230 nan 0.000 0.403 374 E N 4.177 124.316 120.200 -0.103 0.000 2.141 374 E HA 0.588 4.937 4.350 -0.001 0.000 0.259 374 E C -1.737 174.714 176.600 -0.249 0.000 0.883 374 E CA -0.587 55.706 56.400 -0.178 0.000 0.744 374 E CB 1.550 31.188 29.700 -0.103 0.000 1.150 374 E HN 0.521 nan 8.360 nan 0.000 0.420 375 V N 5.565 125.186 119.914 -0.489 0.000 2.398 375 V HA 0.393 4.512 4.120 -0.001 0.000 0.286 375 V C -0.006 175.960 176.094 -0.213 0.000 1.026 375 V CA -0.550 61.520 62.300 -0.384 0.000 0.868 375 V CB 1.231 32.600 31.823 -0.757 0.000 0.982 375 V HN 0.803 nan 8.190 nan 0.000 0.443 376 N N 3.153 121.854 118.700 0.002 0.000 3.387 376 N HA 0.324 5.063 4.740 -0.001 0.000 0.322 376 N C 0.472 176.096 175.510 0.191 0.000 1.588 376 N CA -0.809 52.257 53.050 0.027 0.000 0.778 376 N CB 0.786 39.277 38.487 0.006 0.000 1.883 376 N HN 0.215 nan 8.380 nan 0.000 0.628 377 E N -0.155 120.135 120.200 0.149 0.000 2.110 377 E HA -0.088 4.261 4.350 -0.001 0.000 0.193 377 E C 1.001 177.905 176.600 0.506 0.000 0.988 377 E CA 1.386 57.965 56.400 0.300 0.000 0.804 377 E CB -0.006 29.823 29.700 0.215 0.000 0.745 377 E HN 0.507 nan 8.360 nan 0.000 0.458 378 E N -0.579 119.813 120.200 0.320 0.000 2.158 378 E HA 0.099 4.448 4.350 -0.001 0.000 0.191 378 E C 1.108 177.785 176.600 0.129 0.000 0.982 378 E CA 1.034 57.582 56.400 0.247 0.000 0.823 378 E CB 0.452 30.216 29.700 0.107 0.000 0.766 378 E HN 0.247 nan 8.360 nan 0.000 0.468 379 G N 0.215 109.001 108.800 -0.023 0.000 2.366 379 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.190 379 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.190 379 G C -1.150 173.579 174.900 -0.285 0.000 1.299 379 G CA -0.110 44.596 45.100 -0.656 0.000 1.056 379 G HN 0.067 nan 8.290 nan 0.000 0.468 380 S N -0.067 115.500 115.700 -0.221 0.000 2.442 380 S HA 0.520 4.990 4.470 -0.001 0.000 0.297 380 S C 0.501 174.998 174.600 -0.172 0.000 1.131 380 S CA 1.093 59.209 58.200 -0.138 0.000 1.092 380 S CB 1.046 64.198 63.200 -0.081 0.000 0.998 380 S HN 1.539 nan 8.310 nan 0.000 0.478 381 E N 1.609 121.753 120.200 -0.094 0.000 2.586 381 E HA -0.211 4.139 4.350 -0.001 0.000 0.259 381 E C -0.413 176.139 176.600 -0.080 0.000 1.107 381 E CA 1.034 57.399 56.400 -0.057 0.000 0.754 381 E CB -1.525 28.169 29.700 -0.010 0.000 1.335 381 E HN 0.798 nan 8.360 nan 0.000 0.411 382 A N -0.233 122.538 122.820 -0.082 0.000 2.340 382 A HA 0.869 5.189 4.320 -0.001 0.000 0.331 382 A C 0.193 177.756 177.584 -0.035 0.000 1.140 382 A CA -0.054 51.947 52.037 -0.060 0.000 0.801 382 A CB 1.478 20.442 19.000 -0.059 0.000 1.234 382 A HN 0.602 nan 8.150 nan 0.000 0.469 383 A N 0.780 123.586 122.820 -0.024 0.000 2.363 383 A HA 0.740 5.059 4.320 -0.001 0.000 0.270 383 A C 0.309 177.895 177.584 0.004 0.000 1.121 383 A CA 0.380 52.407 52.037 -0.016 0.000 0.800 383 A CB 0.228 19.218 19.000 -0.017 0.000 1.052 383 A HN 2.420 nan 8.150 nan 0.000 0.493 384 A N 1.249 124.072 122.820 0.006 0.000 2.606 384 A HA 0.694 5.014 4.320 -0.001 0.000 0.293 384 A C -0.049 177.544 177.584 0.014 0.000 1.082 384 A CA -0.070 51.981 52.037 0.023 0.000 0.685 384 A CB 0.748 19.774 19.000 0.043 0.000 1.284 384 A HN 1.508 nan 8.150 nan 0.000 0.408 385 S N -0.308 115.405 115.700 0.022 0.000 2.549 385 S HA 0.321 4.790 4.470 -0.001 0.000 0.279 385 S C 1.215 175.822 174.600 0.013 0.000 1.321 385 S CA 0.513 58.722 58.200 0.015 0.000 1.054 385 S CB 0.300 63.512 63.200 0.020 0.000 0.899 385 S HN 0.712 nan 8.310 nan 0.000 0.497 386 T N 4.397 118.953 114.554 0.004 0.000 2.896 386 T HA 0.141 4.490 4.350 -0.001 0.000 0.263 386 T C 0.975 175.679 174.700 0.007 0.000 1.050 386 T CA 0.727 62.827 62.100 0.000 0.000 1.140 386 T CB -0.456 68.408 68.868 -0.008 0.000 0.877 386 T HN 0.889 nan 8.240 nan 0.000 0.457 387 A N 1.978 124.803 122.820 0.009 0.000 2.591 387 A HA 0.291 4.610 4.320 -0.001 0.000 0.244 387 A C 0.064 177.659 177.584 0.018 0.000 1.031 387 A CA 0.131 52.175 52.037 0.012 0.000 0.767 387 A CB -0.191 18.816 19.000 0.013 0.000 0.942 387 A HN 0.271 nan 8.150 nan 0.000 0.514 388 V N 5.502 125.427 119.914 0.018 0.000 2.378 388 V HA 0.257 4.376 4.120 -0.001 0.000 0.288 388 V C 0.399 176.507 176.094 0.023 0.000 1.016 388 V CA -0.586 61.729 62.300 0.024 0.000 0.840 388 V CB 1.275 33.111 31.823 0.022 0.000 0.994 388 V HN 0.718 nan 8.190 nan 0.000 0.431 389 V N 6.127 126.058 119.914 0.029 0.000 3.185 389 V HA 0.368 4.488 4.120 -0.001 0.000 0.305 389 V C 0.109 176.217 176.094 0.024 0.000 1.090 389 V CA -0.176 62.139 62.300 0.026 0.000 1.107 389 V CB 1.445 33.286 31.823 0.030 0.000 1.061 389 V HN 0.671 nan 8.190 nan 0.000 0.480 390 I N 2.345 122.927 120.570 0.019 0.000 2.493 390 I HA 0.725 4.894 4.170 -0.001 0.000 0.279 390 I C -0.101 176.025 176.117 0.014 0.000 1.045 390 I CA -0.102 61.208 61.300 0.016 0.000 1.106 390 I CB 1.262 39.269 38.000 0.012 0.000 1.216 390 I HN 0.771 nan 8.210 nan 0.000 0.459 391 A N 4.038 126.866 122.820 0.014 0.000 2.564 391 A HA 0.827 5.146 4.320 -0.001 0.000 0.291 391 A C -0.591 176.998 177.584 0.008 0.000 1.102 391 A CA -0.537 51.507 52.037 0.011 0.000 0.660 391 A CB 0.894 19.903 19.000 0.015 0.000 1.283 391 A HN 0.644 nan 8.150 nan 0.000 0.430 392 G N -0.685 108.118 108.800 0.005 0.000 2.432 392 G HA2 0.498 4.458 3.960 -0.001 0.000 0.257 392 G HA3 0.498 4.458 3.960 -0.001 0.000 0.257 392 G C 0.124 175.024 174.900 0.000 0.000 1.238 392 G CA -0.413 44.687 45.100 -0.001 0.000 0.838 392 G HN 0.693 nan 8.290 nan 0.000 0.547 393 R N 0.472 120.964 120.500 -0.014 0.000 2.437 393 R HA 0.198 4.538 4.340 -0.001 0.000 0.257 393 R C 0.801 177.090 176.300 -0.018 0.000 0.927 393 R CA 0.207 56.298 56.100 -0.015 0.000 1.078 393 R CB 0.484 30.755 30.300 -0.049 0.000 1.161 393 R HN 0.558 nan 8.270 nan 0.000 0.529 394 S N 1.122 116.811 115.700 -0.018 0.000 3.628 394 S HA -0.138 4.331 4.470 -0.001 0.000 0.373 394 S C -0.102 174.487 174.600 -0.019 0.000 0.968 394 S CA 0.480 58.674 58.200 -0.011 0.000 1.215 394 S CB -1.423 61.779 63.200 0.004 0.000 0.912 394 S HN 0.301 nan 8.310 nan 0.000 0.495 395 L N 0.755 121.950 121.223 -0.047 0.000 2.344 395 L HA 0.514 4.853 4.340 -0.001 0.000 0.272 395 L C 0.708 177.562 176.870 -0.027 0.000 1.035 395 L CA -0.993 53.812 54.840 -0.058 0.000 0.807 395 L CB 0.686 42.645 42.059 -0.166 0.000 1.237 395 L HN 0.213 nan 8.230 nan 0.000 0.442 396 N N 3.500 122.198 118.700 -0.004 0.000 2.416 396 N HA 0.056 4.796 4.740 -0.001 0.000 0.271 396 N C -1.584 173.927 175.510 0.002 0.000 1.245 396 N CA -1.546 51.508 53.050 0.005 0.000 0.940 396 N CB 0.719 39.217 38.487 0.020 0.000 1.175 396 N HN 0.286 nan 8.380 nan 0.000 0.483 397 P HA -0.113 nan 4.420 nan 0.000 0.222 397 P C -0.111 177.188 177.300 -0.002 0.000 1.142 397 P CA 1.061 64.156 63.100 -0.009 0.000 0.788 397 P CB 0.346 32.039 31.700 -0.011 0.000 0.767 398 N N -0.662 118.041 118.700 0.004 0.000 2.251 398 N HA 0.041 4.780 4.740 -0.001 0.000 0.217 398 N C 0.510 176.031 175.510 0.018 0.000 1.124 398 N CA -0.271 52.783 53.050 0.007 0.000 0.843 398 N CB -0.246 38.243 38.487 0.004 0.000 1.024 398 N HN 0.284 nan 8.380 nan 0.000 0.501 399 R N -0.511 120.009 120.500 0.032 0.000 2.811 399 R HA 0.191 4.531 4.340 -0.001 0.000 0.265 399 R C -0.637 175.697 176.300 0.057 0.000 1.026 399 R CA 0.005 56.138 56.100 0.055 0.000 1.142 399 R CB 0.318 30.674 30.300 0.093 0.000 1.027 399 R HN -0.234 nan 8.270 nan 0.000 0.465 400 V N 2.394 122.341 119.914 0.055 0.000 2.349 400 V HA 0.296 4.415 4.120 -0.001 0.000 0.284 400 V C -0.241 175.887 176.094 0.056 0.000 1.014 400 V CA -0.691 61.636 62.300 0.044 0.000 0.826 400 V CB 0.804 32.639 31.823 0.019 0.000 1.009 400 V HN 0.881 nan 8.190 nan 0.000 0.431 401 c N 3.229 121.887 118.600 0.097 0.000 2.822 401 c HA 0.597 5.166 4.570 -0.001 0.000 0.341 401 c C -0.083 174.082 174.090 0.126 0.000 1.301 401 c CA -0.979 55.426 56.329 0.125 0.000 1.706 401 c CB 1.916 44.585 42.510 0.265 0.000 2.178 401 c HN 0.783 nan 8.230 nan 0.000 0.481 402 F N 2.438 122.376 119.950 -0.020 0.000 2.464 402 F HA 0.322 4.848 4.527 -0.000 0.000 0.353 402 F C 0.543 176.361 175.800 0.031 0.000 1.191 402 F CA 0.069 58.069 58.000 0.001 0.000 1.147 402 F CB -0.116 38.863 39.000 -0.036 0.000 1.294 402 F HN 0.488 nan 8.300 nan 0.000 0.583 403 K N 5.671 126.026 120.400 -0.075 0.000 2.300 403 K HA 0.541 4.860 4.320 -0.001 0.000 0.264 403 K C -0.378 176.151 176.600 -0.118 0.000 1.083 403 K CA -0.500 55.798 56.287 0.019 0.000 0.958 403 K CB 0.636 33.153 32.500 0.028 0.000 1.318 403 K HN 0.662 nan 8.250 nan 0.000 0.448 404 A N 4.682 127.467 122.820 -0.059 0.000 3.063 404 A HA 0.069 4.389 4.320 -0.001 0.000 0.263 404 A C 0.188 177.881 177.584 0.181 0.000 1.736 404 A CA -0.517 51.470 52.037 -0.083 0.000 1.408 404 A CB -1.040 17.722 19.000 -0.397 0.000 1.108 404 A HN 0.976 nan 8.150 nan 0.000 0.621 405 N N 0.610 119.341 118.700 0.052 0.000 2.273 405 N HA 0.183 4.922 4.740 -0.001 0.000 0.231 405 N C 0.096 175.214 175.510 -0.653 0.000 1.134 405 N CA -0.616 52.413 53.050 -0.035 0.000 0.856 405 N CB 0.317 38.823 38.487 0.033 0.000 1.068 405 N HN 0.670 nan 8.380 nan 0.000 0.510 406 R N -1.420 118.725 120.500 -0.592 0.000 2.734 406 R HA 0.491 4.831 4.340 -0.001 0.000 0.271 406 R C -3.397 172.877 176.300 -0.043 0.000 1.021 406 R CA -2.026 53.654 56.100 -0.699 0.000 0.893 406 R CB 0.030 30.185 30.300 -0.242 0.000 1.244 406 R HN -0.210 nan 8.270 nan 0.000 0.464 407 P HA -0.067 nan 4.420 nan 0.000 0.258 407 P C -1.248 176.197 177.300 0.241 0.000 1.172 407 P CA 0.537 63.784 63.100 0.245 0.000 0.762 407 P CB -0.033 31.749 31.700 0.137 0.000 0.764 408 F N 1.734 121.773 119.950 0.148 0.000 2.603 408 F HA 0.652 5.179 4.527 -0.001 0.000 0.317 408 F C -1.128 174.721 175.800 0.081 0.000 1.066 408 F CA -1.719 56.349 58.000 0.112 0.000 0.941 408 F CB 0.857 39.942 39.000 0.142 0.000 1.291 408 F HN -0.053 nan 8.300 nan 0.000 0.472 409 L N 2.355 123.742 121.223 0.274 0.000 2.379 409 L HA 0.752 5.092 4.340 -0.001 0.000 0.269 409 L C -0.621 176.371 176.870 0.202 0.000 1.084 409 L CA -1.225 53.680 54.840 0.108 0.000 0.802 409 L CB 1.671 43.806 42.059 0.126 0.000 1.175 409 L HN 0.555 nan 8.230 nan 0.000 0.448 410 V N 2.031 121.912 119.914 -0.055 0.000 2.656 410 V HA 0.514 4.634 4.120 -0.001 0.000 0.307 410 V C -0.934 175.024 176.094 -0.227 0.000 1.051 410 V CA -0.510 61.848 62.300 0.095 0.000 0.893 410 V CB 2.041 33.993 31.823 0.216 0.000 0.999 410 V HN 0.393 nan 8.190 nan 0.000 0.426 411 F N 4.150 124.281 119.950 0.302 0.000 2.556 411 F HA 0.626 5.153 4.527 -0.001 0.000 0.314 411 F C -0.350 175.646 175.800 0.327 0.000 1.106 411 F CA -0.761 57.403 58.000 0.273 0.000 0.911 411 F CB 1.957 41.075 39.000 0.196 0.000 1.190 411 F HN 0.136 nan 8.300 nan 0.000 0.448 412 I N 4.045 124.914 120.570 0.498 0.000 2.354 412 I HA 0.426 4.595 4.170 -0.001 0.000 0.286 412 I C -0.183 176.108 176.117 0.291 0.000 1.007 412 I CA -0.485 61.068 61.300 0.421 0.000 1.167 412 I CB 1.344 39.646 38.000 0.503 0.000 1.320 412 I HN 0.724 nan 8.210 nan 0.000 0.458 413 R N 4.702 125.338 120.500 0.228 0.000 2.919 413 R HA 0.679 5.019 4.340 -0.001 0.000 0.260 413 R C -0.700 175.645 176.300 0.074 0.000 1.067 413 R CA -0.772 55.413 56.100 0.143 0.000 1.003 413 R CB 2.390 32.785 30.300 0.158 0.000 1.192 413 R HN 0.384 nan 8.270 nan 0.000 0.488 414 E N 1.684 121.914 120.200 0.050 0.000 2.179 414 E HA 0.329 4.678 4.350 -0.001 0.000 0.275 414 E C -1.278 175.361 176.600 0.066 0.000 0.945 414 E CA -0.780 55.640 56.400 0.033 0.000 0.792 414 E CB 2.087 31.789 29.700 0.004 0.000 1.125 414 E HN 0.451 nan 8.360 nan 0.000 0.397 415 V N 5.766 125.722 119.914 0.069 0.000 2.581 415 V HA 0.358 4.477 4.120 -0.001 0.000 0.303 415 V C -1.698 174.430 176.094 0.056 0.000 1.041 415 V CA -1.357 60.986 62.300 0.072 0.000 0.907 415 V CB 1.653 33.523 31.823 0.079 0.000 0.994 415 V HN 0.634 nan 8.190 nan 0.000 0.442 416 P HA 0.186 nan 4.420 nan 0.000 0.262 416 P C 0.967 178.317 177.300 0.084 0.000 1.304 416 P CA 0.205 63.335 63.100 0.050 0.000 0.859 416 P CB 0.502 32.209 31.700 0.012 0.000 1.310 417 L N -0.565 120.722 121.223 0.107 0.000 2.395 417 L HA 0.050 4.389 4.340 -0.001 0.000 0.218 417 L C 0.660 177.661 176.870 0.220 0.000 1.130 417 L CA 0.407 55.366 54.840 0.198 0.000 0.826 417 L CB -0.878 41.285 42.059 0.173 0.000 0.941 417 L HN 0.015 nan 8.230 nan 0.000 0.451 418 N N -0.922 117.863 118.700 0.143 0.000 2.800 418 N HA -0.142 4.597 4.740 -0.001 0.000 0.250 418 N C 0.098 175.662 175.510 0.091 0.000 1.078 418 N CA 1.056 54.174 53.050 0.113 0.000 0.804 418 N CB -1.546 37.014 38.487 0.123 0.000 1.135 418 N HN 0.247 nan 8.380 nan 0.000 0.565 419 T N 1.661 116.270 114.554 0.093 0.000 2.867 419 T HA 0.195 4.544 4.350 -0.001 0.000 0.297 419 T C 1.184 175.928 174.700 0.073 0.000 0.989 419 T CA 0.115 62.261 62.100 0.077 0.000 1.159 419 T CB 0.724 69.632 68.868 0.067 0.000 0.928 419 T HN 0.099 nan 8.240 nan 0.000 0.538 420 I N 4.897 125.520 120.570 0.089 0.000 2.308 420 I HA 0.170 4.340 4.170 -0.001 0.000 0.293 420 I C 1.191 177.339 176.117 0.051 0.000 1.078 420 I CA -0.182 61.193 61.300 0.125 0.000 1.292 420 I CB 0.597 38.707 38.000 0.183 0.000 1.423 420 I HN 0.707 nan 8.210 nan 0.000 0.493 421 I N 5.569 126.127 120.570 -0.019 0.000 2.400 421 I HA 0.032 4.201 4.170 -0.001 0.000 0.248 421 I C 0.042 175.855 176.117 -0.506 0.000 1.109 421 I CA 1.050 62.179 61.300 -0.286 0.000 1.425 421 I CB 0.074 37.850 38.000 -0.373 0.000 1.094 421 I HN 0.292 nan 8.210 nan 0.000 0.425 422 F N 0.836 120.824 119.950 0.063 0.000 2.588 422 F HA 0.607 5.133 4.527 -0.001 0.000 0.310 422 F C -0.228 175.595 175.800 0.037 0.000 1.082 422 F CA -0.990 57.003 58.000 -0.011 0.000 0.929 422 F CB 1.860 40.942 39.000 0.137 0.000 1.254 422 F HN -0.209 nan 8.300 nan 0.000 0.455 423 M N 1.207 120.864 119.600 0.095 0.000 2.470 423 M HA 0.984 5.464 4.480 -0.001 0.000 0.285 423 M C -0.970 175.325 176.300 -0.009 0.000 1.213 423 M CA -0.388 54.854 55.300 -0.097 0.000 0.901 423 M CB 2.643 35.143 32.600 -0.167 0.000 1.718 423 M HN 0.758 nan 8.290 nan 0.000 0.469 424 G N 1.183 109.933 108.800 -0.082 0.000 2.427 424 G HA2 0.590 4.550 3.960 -0.001 0.000 0.306 424 G HA3 0.590 4.550 3.960 -0.001 0.000 0.306 424 G C -2.405 172.522 174.900 0.045 0.000 1.280 424 G CA -0.979 44.248 45.100 0.212 0.000 0.837 424 G HN 0.942 nan 8.290 nan 0.000 0.482 425 R N -0.367 120.195 120.500 0.104 0.000 2.564 425 R HA 0.581 4.921 4.340 -0.001 0.000 0.284 425 R C -1.807 174.352 176.300 -0.235 0.000 1.031 425 R CA -0.521 55.548 56.100 -0.053 0.000 0.904 425 R CB 2.212 32.573 30.300 0.102 0.000 1.199 425 R HN 0.412 nan 8.270 nan 0.000 0.443 426 V N 4.605 124.166 119.914 -0.587 0.000 2.304 426 V HA 0.345 4.464 4.120 -0.001 0.000 0.269 426 V C 0.768 176.566 176.094 -0.494 0.000 1.036 426 V CA 0.144 61.978 62.300 -0.776 0.000 0.840 426 V CB 0.776 31.667 31.823 -1.553 0.000 1.036 426 V HN 0.957 nan 8.190 nan 0.000 0.466 427 A N 4.537 127.217 122.820 -0.234 0.000 2.085 427 A HA 0.278 4.598 4.320 -0.001 0.000 0.208 427 A C 0.896 178.473 177.584 -0.010 0.000 1.191 427 A CA 0.386 52.411 52.037 -0.020 0.000 0.799 427 A CB 0.086 19.092 19.000 0.010 0.000 0.877 427 A HN 0.676 nan 8.150 nan 0.000 0.473 428 N N -0.321 118.253 118.700 -0.211 0.000 2.701 428 N HA 0.248 4.988 4.740 -0.001 0.000 0.258 428 N C -2.853 172.470 175.510 -0.312 0.000 1.262 428 N CA -1.065 51.829 53.050 -0.260 0.000 0.780 428 N CB 1.745 40.186 38.487 -0.077 0.000 1.380 428 N HN -0.057 nan 8.380 nan 0.000 0.548 429 P HA 0.258 nan 4.420 nan 0.000 0.261 429 P C -0.131 177.067 177.300 -0.171 0.000 1.352 429 P CA -0.071 62.866 63.100 -0.272 0.000 0.891 429 P CB 0.003 31.526 31.700 -0.295 0.000 1.383 430 c N -0.153 118.347 118.600 -0.167 0.000 2.480 430 c HA 0.554 5.123 4.570 -0.001 0.000 0.344 430 c C 0.970 175.030 174.090 -0.049 0.000 1.380 430 c CA 0.121 56.400 56.329 -0.083 0.000 2.386 430 c CB 0.766 43.244 42.510 -0.053 0.000 2.210 430 c HN 0.258 nan 8.230 nan 0.000 0.640 431 V N 0.000 119.896 119.914 -0.031 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 431 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 431 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556