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 1vci_1_A DATA FIRST_RESID 7 DATA SEQUENCE VIKMVEVKLE NLTKRFGNFT AVNKLNLTIK DGEFLVLLGP SGCGKTTTLR DATA SEQUENCE MIAGLEEPTE GRIYFGDRDV TYLPPKDRNI SMVFQXXXXX XHMTVYENIA DATA SEQUENCE FPLXXKKFPK DEIDKRVRWA AELLQIEELL NRYPAQLSGG QRQRVAVARA DATA SEQUENCE IVVEPDVLLM DEPLSNLDAK LRVAMRAEIK KLQQKLKVTT IYVTHDQVEA DATA SEQUENCE MTMGDRIAVM NRGQLLQIGS PTEVYLRPNS VFVATFIGAP EMNILEVSVG DATA SEQUENCE DGYLEGRGFR IELPQXXMDL LKDYVGKTVL FGIRPEHMTV EGVXXXXHMK DATA SEQUENCE RTARLIGKVD FVEALGTDTI LHVKFGDELV KVKLPGHIPI EPGREVKVIM DATA SEQUENCE DLDMIHVFDK DTEKAIV 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.049 176.094 -0.074 0.000 1.182 7 V CA 0.000 62.191 62.300 -0.182 0.000 1.235 7 V CB 0.000 31.751 31.823 -0.120 0.000 1.184 8 I N 3.595 124.155 120.570 -0.017 0.000 3.017 8 I HA -0.015 4.154 4.170 -0.001 0.000 0.310 8 I C 0.785 176.911 176.117 0.015 0.000 1.220 8 I CA 0.836 62.155 61.300 0.033 0.000 1.450 8 I CB -0.181 37.881 38.000 0.102 0.000 1.317 8 I HN 0.685 nan 8.210 nan 0.000 0.570 9 K N 6.211 126.614 120.400 0.004 0.000 2.211 9 K HA 0.615 4.935 4.320 -0.001 0.000 0.237 9 K C -0.576 176.017 176.600 -0.010 0.000 1.002 9 K CA -0.817 55.468 56.287 -0.003 0.000 0.885 9 K CB 1.307 33.803 32.500 -0.006 0.000 1.136 9 K HN 0.419 nan 8.250 nan 0.000 0.448 10 M N 2.347 121.940 119.600 -0.011 0.000 2.208 10 M HA 0.207 4.687 4.480 -0.001 0.000 0.352 10 M C -1.122 175.161 176.300 -0.029 0.000 1.137 10 M CA -0.701 54.588 55.300 -0.019 0.000 1.091 10 M CB 1.041 33.638 32.600 -0.006 0.000 1.309 10 M HN 0.191 nan 8.290 nan 0.000 0.408 11 V N 2.388 122.267 119.914 -0.058 0.000 2.383 11 V HA 0.196 4.316 4.120 -0.001 0.000 0.275 11 V C 0.301 176.348 176.094 -0.078 0.000 1.036 11 V CA -0.654 61.605 62.300 -0.069 0.000 0.889 11 V CB 1.275 33.025 31.823 -0.121 0.000 0.985 11 V HN 0.709 nan 8.190 nan 0.000 0.459 12 E N 4.147 124.329 120.200 -0.030 0.000 2.338 12 E HA 0.405 4.755 4.350 -0.001 0.000 0.272 12 E C -1.221 175.389 176.600 0.018 0.000 1.029 12 E CA -0.381 56.012 56.400 -0.012 0.000 0.872 12 E CB 1.349 31.050 29.700 0.002 0.000 1.015 12 E HN 0.499 nan 8.360 nan 0.000 0.417 13 V N 5.296 125.224 119.914 0.023 0.000 2.448 13 V HA 0.336 4.456 4.120 -0.001 0.000 0.295 13 V C -0.357 175.817 176.094 0.134 0.000 1.025 13 V CA -0.780 61.586 62.300 0.110 0.000 0.859 13 V CB 1.587 33.432 31.823 0.036 0.000 0.988 13 V HN 0.642 nan 8.190 nan 0.000 0.431 14 K N 5.412 125.937 120.400 0.208 0.000 2.292 14 K HA 0.676 4.995 4.320 -0.001 0.000 0.257 14 K C -1.341 175.369 176.600 0.183 0.000 0.940 14 K CA -0.630 55.762 56.287 0.175 0.000 0.811 14 K CB 2.419 35.023 32.500 0.174 0.000 1.120 14 K HN 0.503 nan 8.250 nan 0.000 0.428 15 L N 3.381 124.673 121.223 0.114 0.000 2.295 15 L HA 0.315 4.655 4.340 -0.001 0.000 0.281 15 L C -0.204 176.702 176.870 0.060 0.000 1.018 15 L CA -0.465 54.418 54.840 0.072 0.000 0.841 15 L CB 1.052 43.140 42.059 0.049 0.000 1.218 15 L HN 0.498 nan 8.230 nan 0.000 0.424 16 E N 4.013 124.249 120.200 0.059 0.000 2.146 16 E HA 0.076 4.426 4.350 -0.001 0.000 0.282 16 E C 0.057 176.663 176.600 0.009 0.000 0.989 16 E CA -0.464 55.967 56.400 0.051 0.000 0.799 16 E CB 0.950 30.709 29.700 0.099 0.000 1.088 16 E HN 0.475 nan 8.360 nan 0.000 0.397 17 N N 3.592 122.295 118.700 0.005 0.000 2.698 17 N HA -0.220 4.519 4.740 -0.001 0.000 0.258 17 N C -0.931 174.562 175.510 -0.028 0.000 0.978 17 N CA 0.352 53.395 53.050 -0.011 0.000 0.777 17 N CB -0.487 37.996 38.487 -0.007 0.000 0.907 17 N HN 0.568 nan 8.380 nan 0.000 0.543 18 L N 1.321 122.525 121.223 -0.032 0.000 2.360 18 L HA 0.185 4.524 4.340 -0.001 0.000 0.276 18 L C 0.569 177.403 176.870 -0.061 0.000 1.121 18 L CA 0.357 55.168 54.840 -0.049 0.000 0.845 18 L CB 1.011 43.044 42.059 -0.044 0.000 1.143 18 L HN 0.125 nan 8.230 nan 0.000 0.452 19 T N 3.064 117.573 114.554 -0.076 0.000 2.886 19 T HA 0.454 4.803 4.350 -0.001 0.000 0.292 19 T C -0.900 173.723 174.700 -0.128 0.000 1.012 19 T CA -0.759 61.283 62.100 -0.096 0.000 0.982 19 T CB 2.215 71.031 68.868 -0.087 0.000 1.018 19 T HN 0.273 nan 8.240 nan 0.000 0.451 20 K N 2.894 123.192 120.400 -0.170 0.000 2.601 20 K HA 0.525 4.844 4.320 -0.001 0.000 0.249 20 K C -1.273 175.122 176.600 -0.341 0.000 0.966 20 K CA -0.801 55.330 56.287 -0.261 0.000 0.827 20 K CB 0.861 33.210 32.500 -0.251 0.000 1.178 20 K HN 0.702 nan 8.250 nan 0.000 0.437 21 R N 3.139 123.413 120.500 -0.377 0.000 2.514 21 R HA 0.467 4.807 4.340 -0.001 0.000 0.296 21 R C -1.264 174.867 176.300 -0.282 0.000 1.012 21 R CA -0.697 55.224 56.100 -0.297 0.000 0.897 21 R CB 0.610 30.812 30.300 -0.164 0.000 1.184 21 R HN 0.225 nan 8.270 nan 0.000 0.440 22 F N 3.717 123.703 119.950 0.060 0.000 2.439 22 F HA 0.395 4.922 4.527 -0.001 0.000 0.356 22 F C 1.639 177.495 175.800 0.095 0.000 1.161 22 F CA 1.057 59.110 58.000 0.088 0.000 1.151 22 F CB 0.809 39.887 39.000 0.131 0.000 1.222 22 F HN 1.088 nan 8.300 nan 0.000 0.558 23 G N 3.440 112.337 108.800 0.162 0.000 2.595 23 G HA2 -0.431 3.529 3.960 -0.001 0.000 0.297 23 G HA3 -0.431 3.529 3.960 -0.001 0.000 0.297 23 G C 1.290 176.250 174.900 0.101 0.000 1.181 23 G CA 0.521 45.693 45.100 0.121 0.000 0.963 23 G HN 0.630 nan 8.290 nan 0.000 0.541 24 N N 0.571 119.351 118.700 0.132 0.000 2.405 24 N HA 0.151 4.891 4.740 -0.001 0.000 0.175 24 N C 0.999 176.606 175.510 0.161 0.000 1.051 24 N CA 0.698 53.816 53.050 0.113 0.000 0.899 24 N CB 0.240 38.788 38.487 0.102 0.000 1.000 24 N HN 0.551 nan 8.380 nan 0.000 0.451 25 F N 3.098 123.094 119.950 0.076 0.000 2.467 25 F HA 0.275 4.801 4.527 -0.001 0.000 0.362 25 F C -0.178 175.683 175.800 0.101 0.000 1.090 25 F CA -0.284 57.770 58.000 0.091 0.000 1.202 25 F CB 0.763 39.833 39.000 0.117 0.000 1.113 25 F HN -0.229 nan 8.300 nan 0.000 0.541 26 T N 7.484 121.611 114.554 -0.712 0.000 2.738 26 T HA 0.448 4.798 4.350 -0.001 0.000 0.298 26 T C 1.004 175.142 174.700 -0.937 0.000 0.962 26 T CA 0.080 61.819 62.100 -0.601 0.000 0.972 26 T CB 1.189 69.849 68.868 -0.347 0.000 0.928 26 T HN 0.763 nan 8.240 nan 0.000 0.474 27 A N 4.025 126.531 122.820 -0.524 0.000 1.975 27 A HA 0.351 4.670 4.320 -0.001 0.000 0.215 27 A C 0.747 178.252 177.584 -0.131 0.000 1.170 27 A CA 0.524 52.437 52.037 -0.207 0.000 0.656 27 A CB 0.375 19.546 19.000 0.286 0.000 0.821 27 A HN 0.597 nan 8.150 nan 0.000 0.449 28 V N 1.078 120.899 119.914 -0.154 0.000 2.567 28 V HA 0.295 4.414 4.120 -0.001 0.000 0.298 28 V C -1.272 174.748 176.094 -0.123 0.000 1.047 28 V CA -1.050 61.186 62.300 -0.107 0.000 0.880 28 V CB 1.600 33.383 31.823 -0.066 0.000 1.009 28 V HN 0.399 nan 8.190 nan 0.000 0.429 29 N N 3.957 122.590 118.700 -0.111 0.000 2.437 29 N HA 0.295 5.034 4.740 -0.001 0.000 0.259 29 N C 0.089 175.557 175.510 -0.069 0.000 0.983 29 N CA -0.405 52.587 53.050 -0.098 0.000 0.937 29 N CB 0.909 39.336 38.487 -0.100 0.000 1.122 29 N HN 0.664 nan 8.380 nan 0.000 0.499 30 K N 1.488 121.852 120.400 -0.061 0.000 3.834 30 K HA -0.223 4.097 4.320 -0.001 0.000 0.276 30 K C -0.296 176.285 176.600 -0.033 0.000 0.850 30 K CA 0.241 56.502 56.287 -0.043 0.000 0.704 30 K CB -0.857 31.622 32.500 -0.035 0.000 1.644 30 K HN 0.377 nan 8.250 nan 0.000 0.440 31 L N 1.894 123.098 121.223 -0.032 0.000 2.313 31 L HA 0.172 4.512 4.340 -0.001 0.000 0.282 31 L C -0.423 176.444 176.870 -0.005 0.000 1.092 31 L CA 0.213 55.041 54.840 -0.019 0.000 0.831 31 L CB 0.641 42.689 42.059 -0.019 0.000 1.159 31 L HN 0.153 nan 8.230 nan 0.000 0.442 32 N N 5.840 124.542 118.700 0.002 0.000 2.479 32 N HA 0.663 5.402 4.740 -0.001 0.000 0.261 32 N C -1.401 174.122 175.510 0.021 0.000 0.979 32 N CA -0.330 52.728 53.050 0.014 0.000 0.930 32 N CB 1.486 39.980 38.487 0.012 0.000 1.172 32 N HN 0.594 nan 8.380 nan 0.000 0.499 33 L N 1.321 122.563 121.223 0.031 0.000 2.472 33 L HA 0.582 4.922 4.340 -0.001 0.000 0.260 33 L C -1.131 175.766 176.870 0.045 0.000 0.963 33 L CA -0.470 54.392 54.840 0.036 0.000 0.829 33 L CB 2.302 44.383 42.059 0.037 0.000 1.348 33 L HN 0.406 nan 8.230 nan 0.000 0.408 34 T N 4.793 119.370 114.554 0.039 0.000 2.912 34 T HA 0.458 4.807 4.350 -0.001 0.000 0.326 34 T C -0.359 174.362 174.700 0.034 0.000 1.080 34 T CA -0.262 61.861 62.100 0.038 0.000 1.000 34 T CB 0.426 69.309 68.868 0.025 0.000 1.008 34 T HN 0.202 nan 8.240 nan 0.000 0.473 35 I N 3.629 124.220 120.570 0.036 0.000 2.379 35 I HA 0.170 4.340 4.170 -0.001 0.000 0.290 35 I C 0.809 176.933 176.117 0.011 0.000 1.063 35 I CA -0.210 61.105 61.300 0.024 0.000 1.351 35 I CB 0.261 38.267 38.000 0.012 0.000 1.410 35 I HN 0.289 nan 8.210 nan 0.000 0.505 36 K N 6.227 126.636 120.400 0.014 0.000 2.416 36 K HA 0.057 4.377 4.320 -0.001 0.000 0.283 36 K C -0.038 176.561 176.600 -0.003 0.000 1.037 36 K CA -0.446 55.846 56.287 0.008 0.000 0.995 36 K CB 0.225 32.734 32.500 0.016 0.000 0.938 36 K HN 0.651 nan 8.250 nan 0.000 0.475 37 D N 2.104 122.497 120.400 -0.011 0.000 2.648 37 D HA -0.119 4.521 4.640 -0.001 0.000 0.229 37 D C 0.915 177.207 176.300 -0.013 0.000 1.119 37 D CA 0.931 54.917 54.000 -0.022 0.000 0.850 37 D CB 0.481 41.271 40.800 -0.017 0.000 1.169 37 D HN 0.800 nan 8.370 nan 0.000 0.489 38 G N 2.353 111.139 108.800 -0.023 0.000 2.189 38 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.267 38 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.267 38 G C 0.242 175.151 174.900 0.016 0.000 0.975 38 G CA 0.860 45.958 45.100 -0.005 0.000 0.644 38 G HN 1.003 nan 8.290 nan 0.000 0.537 39 E N -0.926 119.285 120.200 0.017 0.000 2.280 39 E HA 0.646 4.995 4.350 -0.001 0.000 0.261 39 E C -0.677 175.971 176.600 0.080 0.000 1.088 39 E CA -1.231 55.206 56.400 0.061 0.000 0.915 39 E CB 0.929 30.664 29.700 0.058 0.000 1.141 39 E HN 0.278 nan 8.360 nan 0.000 0.433 40 F N 2.507 122.454 119.950 -0.004 0.000 2.293 40 F HA 0.293 4.819 4.527 -0.001 0.000 0.370 40 F C -1.073 174.733 175.800 0.009 0.000 1.090 40 F CA -1.247 56.751 58.000 -0.004 0.000 1.133 40 F CB 0.817 39.796 39.000 -0.034 0.000 1.360 40 F HN 0.413 nan 8.300 nan 0.000 0.489 41 L N 6.516 127.861 121.223 0.203 0.000 2.334 41 L HA 0.666 5.005 4.340 -0.001 0.000 0.277 41 L C -1.266 175.761 176.870 0.261 0.000 1.075 41 L CA -0.378 54.578 54.840 0.193 0.000 0.804 41 L CB 1.511 43.628 42.059 0.098 0.000 1.174 41 L HN 0.269 nan 8.230 nan 0.000 0.438 42 V N 6.201 126.264 119.914 0.248 0.000 2.495 42 V HA 0.388 4.508 4.120 -0.001 0.000 0.298 42 V C -0.148 176.063 176.094 0.195 0.000 1.031 42 V CA -0.591 61.876 62.300 0.279 0.000 0.871 42 V CB 1.711 33.690 31.823 0.261 0.000 0.988 42 V HN 0.588 nan 8.190 nan 0.000 0.432 43 L N 5.689 127.026 121.223 0.189 0.000 2.287 43 L HA 0.444 4.783 4.340 -0.001 0.000 0.280 43 L C -0.471 176.487 176.870 0.147 0.000 1.055 43 L CA -0.302 54.618 54.840 0.133 0.000 0.863 43 L CB 1.032 43.153 42.059 0.103 0.000 1.245 43 L HN 0.463 nan 8.230 nan 0.000 0.432 44 L N 2.988 124.298 121.223 0.145 0.000 2.343 44 L HA 0.951 5.290 4.340 -0.001 0.000 0.275 44 L C 0.212 177.131 176.870 0.081 0.000 1.056 44 L CA 0.255 55.203 54.840 0.181 0.000 0.804 44 L CB 1.705 43.905 42.059 0.236 0.000 1.203 44 L HN 0.518 nan 8.230 nan 0.000 0.440 45 G N 3.622 112.486 108.800 0.107 0.000 2.376 45 G HA2 0.281 4.240 3.960 -0.001 0.000 0.302 45 G HA3 0.281 4.240 3.960 -0.001 0.000 0.302 45 G C -3.312 171.678 174.900 0.151 0.000 1.586 45 G CA -0.673 44.342 45.100 -0.141 0.000 0.907 45 G HN 0.563 nan 8.290 nan 0.000 0.655 46 P HA 0.281 nan 4.420 nan 0.000 0.274 46 P C 0.373 177.782 177.300 0.182 0.000 1.260 46 P CA -0.043 63.253 63.100 0.326 0.000 0.793 46 P CB 0.621 32.539 31.700 0.362 0.000 1.048 47 S N -0.819 114.957 115.700 0.128 0.000 2.549 47 S HA 0.347 4.817 4.470 -0.001 0.000 0.286 47 S C 1.477 176.124 174.600 0.077 0.000 1.314 47 S CA 0.966 59.212 58.200 0.076 0.000 1.062 47 S CB -0.586 62.626 63.200 0.021 0.000 0.865 47 S HN 0.941 nan 8.310 nan 0.000 0.498 48 G N 0.527 109.373 108.800 0.077 0.000 2.179 48 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.260 48 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.260 48 G C 1.031 176.004 174.900 0.123 0.000 0.977 48 G CA 0.338 45.499 45.100 0.102 0.000 0.641 48 G HN 1.194 nan 8.290 nan 0.000 0.533 49 C N -0.959 118.390 119.300 0.082 0.000 2.448 49 C HA 0.547 5.007 4.460 -0.001 0.000 0.280 49 C C 2.471 177.481 174.990 0.034 0.000 1.398 49 C CA 1.330 60.368 59.018 0.033 0.000 1.774 49 C CB -0.701 27.033 27.740 -0.011 0.000 1.888 49 C HN 2.368 nan 8.230 nan 0.000 0.519 50 G N 1.454 110.296 108.800 0.070 0.000 2.211 50 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.201 50 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.201 50 G C 0.933 175.869 174.900 0.060 0.000 0.997 50 G CA 0.467 45.607 45.100 0.068 0.000 0.652 50 G HN 0.716 nan 8.290 nan 0.000 0.500 51 K N -0.013 120.422 120.400 0.058 0.000 2.044 51 K HA -0.092 4.227 4.320 -0.001 0.000 0.210 51 K C 2.045 178.684 176.600 0.065 0.000 1.049 51 K CA 2.119 58.442 56.287 0.061 0.000 0.927 51 K CB -0.800 31.744 32.500 0.074 0.000 0.713 51 K HN 0.230 nan 8.250 nan 0.000 0.443 52 T N 0.952 115.549 114.554 0.071 0.000 2.821 52 T HA -0.070 4.279 4.350 -0.001 0.000 0.267 52 T C 1.853 176.597 174.700 0.074 0.000 1.046 52 T CA 1.793 63.931 62.100 0.064 0.000 1.139 52 T CB -0.389 68.512 68.868 0.056 0.000 0.871 52 T HN 0.410 nan 8.240 nan 0.000 0.454 53 T N 1.758 116.372 114.554 0.099 0.000 2.915 53 T HA -0.076 4.274 4.350 -0.001 0.000 0.269 53 T C 2.164 176.909 174.700 0.076 0.000 1.071 53 T CA 1.288 63.463 62.100 0.125 0.000 1.132 53 T CB -0.443 68.541 68.868 0.194 0.000 0.878 53 T HN 0.397 nan 8.240 nan 0.000 0.479 54 T N 1.881 116.469 114.554 0.058 0.000 2.942 54 T HA 0.095 4.444 4.350 -0.001 0.000 0.265 54 T C 1.820 176.549 174.700 0.048 0.000 1.062 54 T CA 0.411 62.535 62.100 0.040 0.000 1.139 54 T CB -0.250 68.639 68.868 0.036 0.000 0.883 54 T HN 0.118 nan 8.240 nan 0.000 0.468 55 L N 1.133 122.389 121.223 0.055 0.000 2.072 55 L HA 0.100 4.439 4.340 -0.001 0.000 0.205 55 L C 2.472 179.380 176.870 0.064 0.000 1.079 55 L CA 1.578 56.453 54.840 0.059 0.000 0.752 55 L CB -0.294 41.796 42.059 0.053 0.000 0.906 55 L HN 0.030 nan 8.230 nan 0.000 0.436 56 R N -1.251 119.285 120.500 0.061 0.000 2.092 56 R HA -0.109 4.231 4.340 -0.001 0.000 0.231 56 R C 2.219 178.548 176.300 0.047 0.000 1.119 56 R CA 1.787 57.922 56.100 0.059 0.000 0.970 56 R CB -0.391 29.947 30.300 0.063 0.000 0.864 56 R HN 0.388 nan 8.270 nan 0.000 0.440 57 M N 0.190 119.811 119.600 0.034 0.000 2.159 57 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 57 M C 2.194 178.495 176.300 0.001 0.000 1.063 57 M CA 1.593 56.894 55.300 0.002 0.000 1.110 57 M CB -0.235 32.353 32.600 -0.020 0.000 1.374 57 M HN 0.142 nan 8.290 nan 0.000 0.411 58 I N 0.027 120.624 120.570 0.046 0.000 2.315 58 I HA -0.208 3.961 4.170 -0.001 0.000 0.248 58 I C 2.600 178.800 176.117 0.137 0.000 1.117 58 I CA 1.044 62.408 61.300 0.107 0.000 1.404 58 I CB -0.501 37.590 38.000 0.152 0.000 1.071 58 I HN 0.231 nan 8.210 nan 0.000 0.419 59 A N 0.150 123.032 122.820 0.104 0.000 2.014 59 A HA 0.149 4.469 4.320 -0.001 0.000 0.218 59 A C 2.032 179.652 177.584 0.061 0.000 1.163 59 A CA 1.280 53.381 52.037 0.107 0.000 0.652 59 A CB -0.536 18.522 19.000 0.098 0.000 0.808 59 A HN 0.562 nan 8.150 nan 0.000 0.449 60 G N -1.571 107.243 108.800 0.022 0.000 2.176 60 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.232 60 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.232 60 G C 0.790 175.701 174.900 0.019 0.000 0.986 60 G CA 0.345 45.442 45.100 -0.005 0.000 0.643 60 G HN 0.413 nan 8.290 nan 0.000 0.522 61 L N -0.055 121.190 121.223 0.035 0.000 2.465 61 L HA 0.311 4.650 4.340 -0.001 0.000 0.224 61 L C 1.096 177.990 176.870 0.040 0.000 1.145 61 L CA 1.195 56.059 54.840 0.040 0.000 0.834 61 L CB 0.171 42.258 42.059 0.046 0.000 0.944 61 L HN 0.436 nan 8.230 nan 0.000 0.451 62 E N -0.190 120.031 120.200 0.034 0.000 2.304 62 E HA 0.219 4.568 4.350 -0.001 0.000 0.277 62 E C -0.902 175.701 176.600 0.006 0.000 0.898 62 E CA -0.531 55.889 56.400 0.034 0.000 0.764 62 E CB 1.700 31.434 29.700 0.057 0.000 1.216 62 E HN -0.037 nan 8.360 nan 0.000 0.419 63 E N 3.145 123.349 120.200 0.006 0.000 2.283 63 E HA 0.354 4.704 4.350 -0.001 0.000 0.271 63 E C -2.324 174.256 176.600 -0.034 0.000 1.031 63 E CA -1.939 54.465 56.400 0.007 0.000 0.868 63 E CB 1.231 30.976 29.700 0.075 0.000 1.094 63 E HN 0.330 nan 8.360 nan 0.000 0.401 64 P HA 0.138 nan 4.420 nan 0.000 0.276 64 P C 0.386 177.654 177.300 -0.053 0.000 1.244 64 P CA -0.126 62.929 63.100 -0.076 0.000 0.801 64 P CB 0.654 32.296 31.700 -0.098 0.000 1.006 65 T N -0.809 113.689 114.554 -0.094 0.000 3.067 65 T HA 0.041 4.390 4.350 -0.001 0.000 0.257 65 T C 0.283 174.956 174.700 -0.046 0.000 1.105 65 T CA 0.848 62.898 62.100 -0.083 0.000 1.104 65 T CB -0.122 68.669 68.868 -0.128 0.000 0.925 65 T HN 0.508 nan 8.240 nan 0.000 0.498 66 E N -1.163 119.009 120.200 -0.047 0.000 2.401 66 E HA 0.460 4.810 4.350 -0.001 0.000 0.283 66 E C -0.851 175.719 176.600 -0.050 0.000 1.053 66 E CA -0.084 56.297 56.400 -0.032 0.000 0.842 66 E CB 1.415 31.092 29.700 -0.038 0.000 1.222 66 E HN 0.269 nan 8.360 nan 0.000 0.429 67 G N 2.114 110.885 108.800 -0.048 0.000 2.384 67 G HA2 0.050 4.009 3.960 -0.001 0.000 0.668 67 G HA3 0.050 4.009 3.960 -0.001 0.000 0.668 67 G C -1.481 173.341 174.900 -0.131 0.000 1.280 67 G CA -0.352 44.705 45.100 -0.071 0.000 0.992 67 G HN 0.565 nan 8.290 nan 0.000 0.512 68 R N -1.022 119.388 120.500 -0.149 0.000 2.668 68 R HA 0.725 5.064 4.340 -0.001 0.000 0.272 68 R C -1.231 174.916 176.300 -0.255 0.000 1.019 68 R CA -0.966 54.970 56.100 -0.273 0.000 0.894 68 R CB 1.432 31.570 30.300 -0.269 0.000 1.228 68 R HN 0.622 nan 8.270 nan 0.000 0.460 69 I N 3.386 123.725 120.570 -0.386 0.000 2.466 69 I HA 0.367 4.537 4.170 -0.001 0.000 0.289 69 I C -1.247 174.663 176.117 -0.346 0.000 1.026 69 I CA -0.796 60.350 61.300 -0.255 0.000 1.078 69 I CB 1.797 39.651 38.000 -0.243 0.000 1.249 69 I HN 0.552 nan 8.210 nan 0.000 0.429 70 Y N 5.105 125.396 120.300 -0.015 0.000 2.429 70 Y HA 0.525 5.074 4.550 -0.001 0.000 0.342 70 Y C -0.572 175.515 175.900 0.312 0.000 1.004 70 Y CA -0.536 57.590 58.100 0.044 0.000 1.075 70 Y CB 2.096 40.584 38.460 0.048 0.000 1.214 70 Y HN 0.344 nan 8.280 nan 0.000 0.455 71 F N 2.373 122.414 119.950 0.153 0.000 2.434 71 F HA 0.455 4.981 4.527 -0.001 0.000 0.355 71 F C 0.816 176.669 175.800 0.089 0.000 1.115 71 F CA -0.598 57.452 58.000 0.083 0.000 1.010 71 F CB 1.216 40.242 39.000 0.043 0.000 1.234 71 F HN 0.860 nan 8.300 nan 0.000 0.439 72 G N 3.589 112.523 108.800 0.222 0.000 2.550 72 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.277 72 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.277 72 G C 0.367 175.339 174.900 0.120 0.000 1.190 72 G CA 0.271 45.444 45.100 0.122 0.000 0.971 72 G HN 0.576 nan 8.290 nan 0.000 0.559 73 D N 1.046 121.501 120.400 0.091 0.000 2.340 73 D HA 0.061 4.701 4.640 -0.001 0.000 0.220 73 D C 1.414 177.833 176.300 0.198 0.000 1.039 73 D CA 0.251 54.294 54.000 0.070 0.000 0.866 73 D CB 0.156 40.974 40.800 0.029 0.000 0.913 73 D HN 0.420 nan 8.370 nan 0.000 0.523 74 R N 1.672 122.306 120.500 0.222 0.000 2.308 74 R HA 0.045 4.385 4.340 -0.001 0.000 0.305 74 R C -0.429 175.966 176.300 0.158 0.000 1.053 74 R CA -0.471 55.735 56.100 0.178 0.000 0.957 74 R CB 0.756 31.121 30.300 0.108 0.000 1.022 74 R HN -0.258 nan 8.270 nan 0.000 0.461 75 D N 4.900 125.300 120.400 0.000 0.000 2.374 75 D HA 0.016 4.656 4.640 -0.001 0.000 0.240 75 D C 0.789 176.903 176.300 -0.310 0.000 1.229 75 D CA -0.232 53.553 54.000 -0.358 0.000 0.895 75 D CB 1.269 41.852 40.800 -0.360 0.000 1.046 75 D HN 0.415 nan 8.370 nan 0.000 0.498 76 V N 1.418 121.084 119.914 -0.412 0.000 3.596 76 V HA 0.047 4.167 4.120 -0.001 0.000 0.289 76 V C 1.788 177.611 176.094 -0.451 0.000 1.336 76 V CA 0.153 62.192 62.300 -0.435 0.000 1.137 76 V CB -0.514 30.881 31.823 -0.712 0.000 0.966 76 V HN 0.375 nan 8.190 nan 0.000 0.428 77 T N 1.000 115.234 114.554 -0.534 0.000 2.649 77 T HA -0.268 4.081 4.350 -0.001 0.000 0.268 77 T C 1.020 175.338 174.700 -0.636 0.000 1.036 77 T CA 2.797 64.490 62.100 -0.678 0.000 1.157 77 T CB -0.595 67.671 68.868 -1.003 0.000 0.861 77 T HN 0.752 nan 8.240 nan 0.000 0.445 78 Y N 0.709 120.914 120.300 -0.157 0.000 2.774 78 Y HA 0.492 5.042 4.550 -0.001 0.000 0.305 78 Y C 0.139 175.980 175.900 -0.099 0.000 1.067 78 Y CA -0.869 57.163 58.100 -0.113 0.000 1.304 78 Y CB -0.003 38.401 38.460 -0.093 0.000 1.209 78 Y HN 0.084 nan 8.280 nan 0.000 0.543 79 L N 1.389 122.595 121.223 -0.028 0.000 2.334 79 L HA 0.535 4.875 4.340 -0.001 0.000 0.272 79 L C -2.477 174.378 176.870 -0.025 0.000 1.020 79 L CA -2.409 52.413 54.840 -0.031 0.000 0.812 79 L CB 1.583 43.595 42.059 -0.078 0.000 1.264 79 L HN -0.066 nan 8.230 nan 0.000 0.439 80 P HA 0.075 nan 4.420 nan 0.000 0.271 80 P C -1.925 175.379 177.300 0.006 0.000 1.218 80 P CA -1.088 62.015 63.100 0.005 0.000 0.780 80 P CB 0.185 31.892 31.700 0.011 0.000 0.901 81 P HA -0.240 nan 4.420 nan 0.000 0.218 81 P C 0.932 178.262 177.300 0.050 0.000 1.146 81 P CA 1.932 65.055 63.100 0.037 0.000 0.820 81 P CB -0.032 31.698 31.700 0.049 0.000 0.778 82 K N -0.633 119.791 120.400 0.039 0.000 2.296 82 K HA -0.048 4.272 4.320 -0.001 0.000 0.200 82 K C 1.161 177.789 176.600 0.046 0.000 1.048 82 K CA 1.049 57.361 56.287 0.043 0.000 0.966 82 K CB -0.417 32.102 32.500 0.031 0.000 0.754 82 K HN 0.024 nan 8.250 nan 0.000 0.466 83 D N 1.173 121.593 120.400 0.034 0.000 2.339 83 D HA 0.045 4.684 4.640 -0.001 0.000 0.217 83 D C 1.059 177.389 176.300 0.050 0.000 1.050 83 D CA 0.199 54.218 54.000 0.032 0.000 0.856 83 D CB 0.364 41.170 40.800 0.011 0.000 0.922 83 D HN 0.289 nan 8.370 nan 0.000 0.518 84 R N 0.725 121.270 120.500 0.075 0.000 2.317 84 R HA 0.086 4.426 4.340 -0.001 0.000 0.208 84 R C -0.002 176.468 176.300 0.282 0.000 0.914 84 R CA -0.177 56.021 56.100 0.163 0.000 1.060 84 R CB 0.123 30.503 30.300 0.133 0.000 1.015 84 R HN -0.030 nan 8.270 nan 0.000 0.498 85 N N 1.761 120.559 118.700 0.163 0.000 2.671 85 N HA -0.171 4.569 4.740 -0.001 0.000 0.261 85 N C -0.503 175.077 175.510 0.116 0.000 1.053 85 N CA 1.414 54.540 53.050 0.126 0.000 0.732 85 N CB -1.138 37.417 38.487 0.113 0.000 0.887 85 N HN 0.461 nan 8.380 nan 0.000 0.546 86 I N -2.991 117.648 120.570 0.115 0.000 3.145 86 I HA 0.763 4.933 4.170 -0.001 0.000 0.313 86 I C -0.142 176.009 176.117 0.058 0.000 1.122 86 I CA -0.937 60.414 61.300 0.085 0.000 0.987 86 I CB 2.560 40.646 38.000 0.143 0.000 1.236 86 I HN 0.080 nan 8.210 nan 0.000 0.453 87 S N 3.081 118.801 115.700 0.034 0.000 2.668 87 S HA 0.608 5.077 4.470 -0.001 0.000 0.277 87 S C -0.814 173.792 174.600 0.010 0.000 1.170 87 S CA -0.706 57.505 58.200 0.018 0.000 0.994 87 S CB 1.586 64.785 63.200 -0.000 0.000 1.051 87 S HN 0.762 nan 8.310 nan 0.000 0.484 88 M N 3.225 122.837 119.600 0.021 0.000 2.288 88 M HA 0.691 5.170 4.480 -0.001 0.000 0.334 88 M C -1.393 174.845 176.300 -0.103 0.000 1.150 88 M CA -0.423 54.898 55.300 0.035 0.000 1.118 88 M CB 1.322 34.026 32.600 0.173 0.000 1.501 88 M HN 0.636 nan 8.290 nan 0.000 0.462 89 V N 6.459 126.313 119.914 -0.100 0.000 2.509 89 V HA 0.461 4.580 4.120 -0.001 0.000 0.289 89 V C -1.002 175.011 176.094 -0.134 0.000 1.026 89 V CA -0.557 61.606 62.300 -0.228 0.000 0.872 89 V CB 0.467 32.223 31.823 -0.112 0.000 1.017 89 V HN 0.837 nan 8.190 nan 0.000 0.436 90 F N 1.277 121.218 119.950 -0.014 0.000 2.835 90 F HA 0.875 5.402 4.527 -0.001 0.000 0.373 90 F C 0.043 175.838 175.800 -0.007 0.000 1.209 90 F CA -1.276 56.711 58.000 -0.021 0.000 1.082 90 F CB 0.488 39.481 39.000 -0.011 0.000 1.472 90 F HN 0.468 nan 8.300 nan 0.000 0.519 99 M N 0.657 120.426 119.600 0.281 0.000 2.363 99 M HA 0.305 4.784 4.480 -0.001 0.000 0.280 99 M C 0.626 176.884 176.300 -0.070 0.000 1.182 99 M CA -0.257 55.141 55.300 0.163 0.000 0.974 99 M CB 1.220 33.819 32.600 -0.003 0.000 1.452 99 M HN 0.028 nan 8.290 nan 0.000 0.507 100 T N -0.454 113.923 114.554 -0.295 0.000 2.929 100 T HA 0.314 4.663 4.350 -0.001 0.000 0.284 100 T C 1.100 175.675 174.700 -0.209 0.000 1.014 100 T CA -0.810 60.951 62.100 -0.565 0.000 1.051 100 T CB 1.101 69.610 68.868 -0.599 0.000 1.028 100 T HN 0.427 nan 8.240 nan 0.000 0.485 101 V N 3.926 123.736 119.914 -0.172 0.000 2.250 101 V HA -0.225 3.895 4.120 -0.001 0.000 0.253 101 V C 1.917 177.998 176.094 -0.021 0.000 1.065 101 V CA 2.456 64.712 62.300 -0.074 0.000 1.039 101 V CB -1.175 30.616 31.823 -0.052 0.000 0.647 101 V HN 0.965 nan 8.190 nan 0.000 0.446 102 Y N 0.818 121.056 120.300 -0.102 0.000 2.081 102 Y HA -0.260 4.289 4.550 -0.001 0.000 0.280 102 Y C 2.750 178.627 175.900 -0.039 0.000 1.163 102 Y CA 2.261 60.325 58.100 -0.060 0.000 1.135 102 Y CB -0.138 38.289 38.460 -0.056 0.000 0.970 102 Y HN 0.232 nan 8.280 nan 0.000 0.498 103 E N 0.094 120.388 120.200 0.157 0.000 2.077 103 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 103 E C 2.040 178.656 176.600 0.026 0.000 0.989 103 E CA 1.040 57.502 56.400 0.103 0.000 0.800 103 E CB -0.629 29.116 29.700 0.075 0.000 0.746 103 E HN 0.547 nan 8.360 nan 0.000 0.452 104 N N 1.054 119.737 118.700 -0.028 0.000 2.104 104 N HA -0.138 4.602 4.740 -0.001 0.000 0.190 104 N C 1.891 177.400 175.510 -0.000 0.000 1.024 104 N CA 0.940 53.963 53.050 -0.045 0.000 0.853 104 N CB -0.071 38.377 38.487 -0.065 0.000 1.008 104 N HN 0.187 nan 8.380 nan 0.000 0.424 105 I N 0.377 120.911 120.570 -0.060 0.000 2.876 105 I HA -0.056 4.114 4.170 -0.001 0.000 0.264 105 I C 2.133 178.181 176.117 -0.116 0.000 1.204 105 I CA 0.389 61.634 61.300 -0.092 0.000 1.485 105 I CB -0.089 37.822 38.000 -0.149 0.000 1.103 105 I HN 0.077 nan 8.210 nan 0.000 0.446 106 A N 0.525 123.265 122.820 -0.133 0.000 2.030 106 A HA -0.115 4.205 4.320 -0.001 0.000 0.215 106 A C 2.038 179.625 177.584 0.005 0.000 1.164 106 A CA 0.249 52.204 52.037 -0.137 0.000 0.697 106 A CB -0.588 18.313 19.000 -0.165 0.000 0.827 106 A HN 0.349 nan 8.150 nan 0.000 0.457 107 F N 1.905 121.805 119.950 -0.085 0.000 2.048 107 F HA -0.190 4.336 4.527 -0.001 0.000 0.296 107 F C -0.900 174.872 175.800 -0.046 0.000 1.109 107 F CA 2.417 60.392 58.000 -0.042 0.000 1.214 107 F CB -1.530 37.453 39.000 -0.029 0.000 0.963 107 F HN 0.164 nan 8.300 nan 0.000 0.491 108 P HA -0.078 nan 4.420 nan 0.000 0.231 108 P C -0.473 176.694 177.300 -0.223 0.000 1.154 108 P CA 0.954 63.916 63.100 -0.230 0.000 0.762 108 P CB 0.012 31.640 31.700 -0.121 0.000 0.790 113 K N 0.770 121.215 120.400 0.075 0.000 4.838 113 K HA -0.213 4.107 4.320 -0.001 0.000 0.300 113 K C -1.140 175.436 176.600 -0.040 0.000 0.861 113 K CA 1.059 57.353 56.287 0.011 0.000 0.929 113 K CB -1.040 31.426 32.500 -0.057 0.000 1.772 113 K HN 0.224 nan 8.250 nan 0.000 0.422 114 F N 0.686 120.630 119.950 -0.011 0.000 2.578 114 F HA 0.345 4.871 4.527 -0.001 0.000 0.311 114 F C -1.978 173.825 175.800 0.005 0.000 1.094 114 F CA -2.256 55.740 58.000 -0.006 0.000 0.923 114 F CB 1.860 40.853 39.000 -0.011 0.000 1.230 114 F HN -0.001 nan 8.300 nan 0.000 0.450 115 P HA 0.264 nan 4.420 nan 0.000 0.276 115 P C 0.035 177.435 177.300 0.167 0.000 1.235 115 P CA -0.361 62.816 63.100 0.127 0.000 0.772 115 P CB 1.042 32.784 31.700 0.070 0.000 0.871 116 K N 1.506 121.980 120.400 0.124 0.000 2.032 116 K HA -0.165 4.154 4.320 -0.001 0.000 0.209 116 K C 1.117 177.788 176.600 0.119 0.000 1.048 116 K CA 1.602 57.964 56.287 0.125 0.000 0.927 116 K CB -0.264 32.298 32.500 0.104 0.000 0.712 116 K HN 0.527 nan 8.250 nan 0.000 0.441 117 D N 0.673 121.130 120.400 0.094 0.000 2.228 117 D HA -0.192 4.447 4.640 -0.001 0.000 0.203 117 D C 1.836 178.188 176.300 0.088 0.000 0.988 117 D CA 1.239 55.287 54.000 0.081 0.000 0.864 117 D CB 0.012 40.847 40.800 0.058 0.000 0.928 117 D HN 0.263 nan 8.370 nan 0.000 0.469 118 E N 0.669 120.936 120.200 0.111 0.000 2.086 118 E HA 0.008 4.358 4.350 -0.001 0.000 0.190 118 E C 2.262 178.922 176.600 0.100 0.000 0.975 118 E CA 0.185 56.660 56.400 0.125 0.000 0.813 118 E CB -0.137 29.692 29.700 0.215 0.000 0.768 118 E HN 0.211 nan 8.360 nan 0.000 0.457 119 I N 0.905 121.537 120.570 0.103 0.000 2.163 119 I HA -0.274 3.895 4.170 -0.001 0.000 0.243 119 I C 2.064 178.187 176.117 0.010 0.000 1.085 119 I CA 1.827 63.131 61.300 0.007 0.000 1.347 119 I CB -0.392 37.627 38.000 0.032 0.000 1.044 119 I HN 0.204 nan 8.210 nan 0.000 0.408 120 D N 1.046 121.515 120.400 0.115 0.000 2.149 120 D HA -0.250 4.389 4.640 -0.001 0.000 0.198 120 D C 2.229 178.602 176.300 0.122 0.000 0.990 120 D CA 1.376 55.489 54.000 0.188 0.000 0.839 120 D CB -0.024 40.905 40.800 0.214 0.000 0.948 120 D HN 0.133 nan 8.370 nan 0.000 0.460 121 K N 0.050 120.502 120.400 0.088 0.000 2.097 121 K HA -0.133 4.187 4.320 -0.001 0.000 0.205 121 K C 2.155 178.815 176.600 0.100 0.000 1.050 121 K CA 0.821 57.155 56.287 0.079 0.000 0.938 121 K CB 0.059 32.582 32.500 0.039 0.000 0.718 121 K HN 0.102 nan 8.250 nan 0.000 0.442 122 R N 0.176 120.714 120.500 0.063 0.000 2.066 122 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 122 R C 2.374 178.768 176.300 0.157 0.000 1.131 122 R CA 1.249 57.423 56.100 0.125 0.000 0.955 122 R CB -0.394 29.905 30.300 -0.001 0.000 0.851 122 R HN 0.007 nan 8.270 nan 0.000 0.432 123 V N 1.289 121.190 119.914 -0.021 0.000 2.343 123 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 123 V C 2.325 178.411 176.094 -0.013 0.000 1.051 123 V CA 1.750 63.970 62.300 -0.133 0.000 1.036 123 V CB -0.502 31.017 31.823 -0.506 0.000 0.654 123 V HN 0.278 nan 8.190 nan 0.000 0.451 124 R N -1.469 119.079 120.500 0.080 0.000 2.081 124 R HA -0.221 4.119 4.340 -0.001 0.000 0.235 124 R C 2.102 178.481 176.300 0.131 0.000 1.131 124 R CA 2.104 58.272 56.100 0.114 0.000 0.960 124 R CB -0.437 29.945 30.300 0.137 0.000 0.856 124 R HN 0.684 nan 8.270 nan 0.000 0.436 125 W N 1.317 122.605 121.300 -0.020 0.000 2.332 125 W HA -0.207 4.454 4.660 0.002 0.000 0.321 125 W C 2.223 178.725 176.519 -0.029 0.000 1.219 125 W CA 1.887 59.220 57.345 -0.021 0.000 1.277 125 W CB -0.695 28.751 29.460 -0.024 0.000 1.161 125 W HN 0.085 nan 8.180 nan 0.000 0.476 126 A N 0.959 123.664 122.820 -0.192 0.000 1.865 126 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 126 A C 2.175 179.581 177.584 -0.297 0.000 1.191 126 A CA 3.080 54.845 52.037 -0.454 0.000 0.623 126 A CB -1.714 17.153 19.000 -0.223 0.000 0.826 126 A HN 0.574 nan 8.150 nan 0.000 0.444 127 A N -0.798 121.930 122.820 -0.153 0.000 1.948 127 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 127 A C 2.075 179.597 177.584 -0.104 0.000 1.177 127 A CA 2.039 54.014 52.037 -0.103 0.000 0.636 127 A CB -0.459 18.517 19.000 -0.041 0.000 0.815 127 A HN 0.547 nan 8.150 nan 0.000 0.449 128 E N 0.055 120.189 120.200 -0.109 0.000 2.107 128 E HA -0.079 4.270 4.350 -0.001 0.000 0.191 128 E C 1.957 178.474 176.600 -0.139 0.000 0.982 128 E CA 0.812 57.159 56.400 -0.088 0.000 0.809 128 E CB -0.231 29.445 29.700 -0.041 0.000 0.756 128 E HN 0.663 nan 8.360 nan 0.000 0.459 129 L N 0.250 121.321 121.223 -0.253 0.000 2.141 129 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 129 L C 2.044 178.801 176.870 -0.188 0.000 1.094 129 L CA 0.467 55.146 54.840 -0.269 0.000 0.763 129 L CB -0.099 41.672 42.059 -0.479 0.000 0.908 129 L HN 0.142 nan 8.230 nan 0.000 0.437 130 L N -0.179 120.938 121.223 -0.177 0.000 2.629 130 L HA 0.084 4.424 4.340 -0.001 0.000 0.230 130 L C 0.524 177.343 176.870 -0.085 0.000 1.151 130 L CA 0.614 55.381 54.840 -0.122 0.000 0.924 130 L CB -0.965 41.022 42.059 -0.119 0.000 1.137 130 L HN 0.402 nan 8.230 nan 0.000 0.457 131 Q N 0.790 120.541 119.800 -0.083 0.000 2.443 131 Q HA -0.201 4.139 4.340 -0.001 0.000 0.337 131 Q C 0.617 176.590 176.000 -0.044 0.000 1.401 131 Q CA 0.656 56.426 55.803 -0.055 0.000 0.943 131 Q CB -1.107 27.604 28.738 -0.045 0.000 1.177 131 Q HN 0.705 nan 8.270 nan 0.000 0.394 132 I N -4.010 116.532 120.570 -0.046 0.000 3.820 132 I HA 0.148 4.317 4.170 -0.001 0.000 0.323 132 I C 0.627 176.731 176.117 -0.021 0.000 1.482 132 I CA -0.573 60.707 61.300 -0.034 0.000 1.048 132 I CB 0.523 38.498 38.000 -0.041 0.000 1.436 132 I HN -0.078 nan 8.210 nan 0.000 0.575 133 E N 1.910 122.100 120.200 -0.016 0.000 2.118 133 E HA -0.180 4.169 4.350 -0.001 0.000 0.195 133 E C 1.420 178.027 176.600 0.012 0.000 0.992 133 E CA 1.417 57.820 56.400 0.005 0.000 0.804 133 E CB -0.189 29.517 29.700 0.009 0.000 0.741 133 E HN 0.527 nan 8.360 nan 0.000 0.458 134 E N 0.277 120.479 120.200 0.002 0.000 2.478 134 E HA -0.036 4.314 4.350 -0.001 0.000 0.198 134 E C 1.302 177.903 176.600 0.001 0.000 1.046 134 E CA 0.544 56.946 56.400 0.003 0.000 0.870 134 E CB 0.089 29.789 29.700 -0.001 0.000 0.818 134 E HN 0.417 nan 8.360 nan 0.000 0.527 135 L N -0.188 121.034 121.223 -0.002 0.000 2.728 135 L HA 0.217 4.556 4.340 -0.001 0.000 0.238 135 L C 1.941 178.806 176.870 -0.010 0.000 1.143 135 L CA -0.133 54.703 54.840 -0.007 0.000 0.937 135 L CB -0.142 41.909 42.059 -0.012 0.000 1.225 135 L HN -0.025 nan 8.230 nan 0.000 0.507 136 L N 1.586 122.816 121.223 0.011 0.000 2.043 136 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 136 L C 2.067 178.940 176.870 0.004 0.000 1.075 136 L CA 1.581 56.447 54.840 0.043 0.000 0.752 136 L CB -0.424 41.706 42.059 0.118 0.000 0.891 136 L HN 0.608 nan 8.230 nan 0.000 0.432 137 N N -0.072 118.610 118.700 -0.029 0.000 2.313 137 N HA 0.002 4.742 4.740 -0.001 0.000 0.207 137 N C 0.282 175.732 175.510 -0.100 0.000 1.141 137 N CA 0.009 53.016 53.050 -0.073 0.000 0.830 137 N CB 0.150 38.610 38.487 -0.045 0.000 1.008 137 N HN 0.301 nan 8.380 nan 0.000 0.481 138 R N -0.603 119.832 120.500 -0.109 0.000 2.700 138 R HA 0.417 4.757 4.340 -0.001 0.000 0.253 138 R C -0.824 175.340 176.300 -0.226 0.000 1.091 138 R CA -0.598 55.463 56.100 -0.065 0.000 1.104 138 R CB 0.799 31.101 30.300 0.003 0.000 1.202 138 R HN 0.050 nan 8.270 nan 0.000 0.532 139 Y N -0.288 120.007 120.300 -0.009 0.000 2.528 139 Y HA 0.254 4.804 4.550 -0.000 0.000 0.335 139 Y C -1.544 174.344 175.900 -0.020 0.000 1.093 139 Y CA -2.242 55.847 58.100 -0.018 0.000 1.134 139 Y CB 0.996 39.433 38.460 -0.040 0.000 1.253 139 Y HN 0.411 nan 8.280 nan 0.000 0.478 140 P HA -0.349 nan 4.420 nan 0.000 0.205 140 P C 1.122 178.453 177.300 0.053 0.000 1.046 140 P CA 3.106 66.243 63.100 0.062 0.000 0.968 140 P CB -0.108 31.626 31.700 0.057 0.000 0.753 141 A N -0.718 122.130 122.820 0.047 0.000 2.139 141 A HA -0.284 4.035 4.320 -0.001 0.000 0.221 141 A C 2.236 179.836 177.584 0.028 0.000 1.159 141 A CA 1.850 53.901 52.037 0.024 0.000 0.662 141 A CB -1.318 17.685 19.000 0.005 0.000 0.796 141 A HN 0.381 nan 8.150 nan 0.000 0.463 142 Q N -1.167 118.665 119.800 0.054 0.000 2.398 142 Q HA 0.079 4.418 4.340 -0.001 0.000 0.204 142 Q C 0.171 176.195 176.000 0.040 0.000 0.932 142 Q CA -0.147 55.688 55.803 0.053 0.000 0.916 142 Q CB -0.040 28.758 28.738 0.100 0.000 1.024 142 Q HN 0.422 nan 8.270 nan 0.000 0.504 143 L N 1.888 123.132 121.223 0.035 0.000 2.450 143 L HA 0.015 4.354 4.340 -0.001 0.000 0.256 143 L C 0.635 177.512 176.870 0.011 0.000 1.374 143 L CA 0.631 55.482 54.840 0.018 0.000 1.210 143 L CB -0.109 41.956 42.059 0.010 0.000 1.394 143 L HN 0.012 nan 8.230 nan 0.000 0.438 144 S N 0.634 116.341 115.700 0.011 0.000 2.539 144 S HA 0.243 4.713 4.470 -0.001 0.000 0.221 144 S C 1.494 176.095 174.600 0.003 0.000 0.987 144 S CA 0.404 58.607 58.200 0.006 0.000 0.929 144 S CB 0.205 63.409 63.200 0.006 0.000 0.832 144 S HN 0.666 nan 8.310 nan 0.000 0.492 145 G N -0.209 108.593 108.800 0.003 0.000 3.159 145 G HA2 0.571 4.531 3.960 -0.001 0.000 0.232 145 G HA3 0.571 4.531 3.960 -0.001 0.000 0.232 145 G C 0.481 175.379 174.900 -0.004 0.000 1.116 145 G CA 0.263 45.363 45.100 -0.000 0.000 0.767 145 G HN 0.594 nan 8.290 nan 0.000 0.547 146 G N -0.578 108.219 108.800 -0.005 0.000 3.008 146 G HA2 0.535 4.494 3.960 -0.001 0.000 0.148 146 G HA3 0.535 4.494 3.960 -0.001 0.000 0.148 146 G C -1.563 173.332 174.900 -0.009 0.000 1.184 146 G CA -0.510 44.584 45.100 -0.010 0.000 1.087 146 G HN 0.217 nan 8.290 nan 0.000 0.602 147 Q N -0.379 119.413 119.800 -0.013 0.000 2.268 147 Q HA 0.387 4.726 4.340 -0.001 0.000 0.266 147 Q C 0.167 176.159 176.000 -0.014 0.000 1.006 147 Q CA -1.005 54.791 55.803 -0.011 0.000 0.824 147 Q CB 2.893 31.624 28.738 -0.012 0.000 1.306 147 Q HN 0.363 nan 8.270 nan 0.000 0.424 148 R N 1.320 121.814 120.500 -0.009 0.000 2.285 148 R HA -0.133 4.207 4.340 -0.001 0.000 0.213 148 R C 1.413 177.702 176.300 -0.017 0.000 1.068 148 R CA 1.328 57.420 56.100 -0.012 0.000 1.004 148 R CB 0.360 30.657 30.300 -0.005 0.000 0.873 148 R HN 0.661 nan 8.270 nan 0.000 0.467 149 Q N 0.564 120.356 119.800 -0.013 0.000 2.020 149 Q HA -0.037 4.303 4.340 -0.001 0.000 0.198 149 Q C 1.886 177.872 176.000 -0.023 0.000 0.974 149 Q CA 1.589 57.384 55.803 -0.013 0.000 0.829 149 Q CB -0.066 28.670 28.738 -0.003 0.000 0.894 149 Q HN 0.148 nan 8.270 nan 0.000 0.433 150 R N -0.413 120.071 120.500 -0.026 0.000 2.127 150 R HA -0.078 4.261 4.340 -0.001 0.000 0.238 150 R C 2.167 178.436 176.300 -0.052 0.000 1.134 150 R CA 1.357 57.434 56.100 -0.039 0.000 0.975 150 R CB -0.690 29.586 30.300 -0.039 0.000 0.865 150 R HN 0.215 nan 8.270 nan 0.000 0.447 151 V N 1.263 121.150 119.914 -0.046 0.000 2.427 151 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 151 V C 2.604 178.663 176.094 -0.058 0.000 1.051 151 V CA 1.737 64.005 62.300 -0.054 0.000 1.048 151 V CB -0.748 31.048 31.823 -0.045 0.000 0.666 151 V HN 0.321 nan 8.190 nan 0.000 0.456 152 A N -0.035 122.753 122.820 -0.053 0.000 1.902 152 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 152 A C 2.378 179.920 177.584 -0.071 0.000 1.181 152 A CA 2.145 54.144 52.037 -0.064 0.000 0.623 152 A CB -0.620 18.341 19.000 -0.063 0.000 0.818 152 A HN 0.350 nan 8.150 nan 0.000 0.443 153 V N -0.281 119.597 119.914 -0.061 0.000 2.379 153 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 153 V C 3.039 179.082 176.094 -0.085 0.000 1.044 153 V CA 1.714 63.977 62.300 -0.061 0.000 1.036 153 V CB -1.251 30.546 31.823 -0.045 0.000 0.664 153 V HN 0.603 nan 8.190 nan 0.000 0.453 154 A N 0.214 122.974 122.820 -0.100 0.000 1.940 154 A HA -0.284 4.035 4.320 -0.001 0.000 0.219 154 A C 2.414 179.935 177.584 -0.104 0.000 1.176 154 A CA 2.196 54.154 52.037 -0.131 0.000 0.631 154 A CB -0.603 18.320 19.000 -0.129 0.000 0.814 154 A HN 0.489 nan 8.150 nan 0.000 0.446 155 R N -0.572 119.881 120.500 -0.080 0.000 2.148 155 R HA -0.006 4.333 4.340 -0.001 0.000 0.227 155 R C 2.160 178.428 176.300 -0.054 0.000 1.103 155 R CA 1.152 57.217 56.100 -0.060 0.000 0.983 155 R CB -0.306 29.972 30.300 -0.037 0.000 0.874 155 R HN 0.459 nan 8.270 nan 0.000 0.451 156 A N 1.504 124.286 122.820 -0.062 0.000 1.897 156 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 156 A C 2.078 179.645 177.584 -0.028 0.000 1.181 156 A CA 1.352 53.357 52.037 -0.053 0.000 0.620 156 A CB -0.444 18.519 19.000 -0.062 0.000 0.821 156 A HN 0.547 nan 8.150 nan 0.000 0.443 157 I N -3.312 117.235 120.570 -0.037 0.000 3.226 157 I HA 0.074 4.244 4.170 -0.001 0.000 0.277 157 I C 1.866 178.056 176.117 0.122 0.000 1.243 157 I CA 0.670 61.976 61.300 0.010 0.000 1.459 157 I CB -0.137 37.806 38.000 -0.095 0.000 1.093 157 I HN 0.011 nan 8.210 nan 0.000 0.453 158 V N 2.338 122.285 119.914 0.054 0.000 2.660 158 V HA -0.214 3.906 4.120 -0.001 0.000 0.257 158 V C 2.546 178.681 176.094 0.067 0.000 1.088 158 V CA 2.264 64.629 62.300 0.108 0.000 1.106 158 V CB -0.229 31.576 31.823 -0.029 0.000 0.686 158 V HN 0.609 nan 8.190 nan 0.000 0.481 159 V N -2.264 117.666 119.914 0.027 0.000 2.951 159 V HA 0.151 4.271 4.120 -0.001 0.000 0.255 159 V C 1.014 177.140 176.094 0.054 0.000 1.088 159 V CA 0.977 63.273 62.300 -0.008 0.000 1.109 159 V CB -0.701 31.120 31.823 -0.003 0.000 0.724 159 V HN 0.746 nan 8.190 nan 0.000 0.471 160 E N 0.318 120.588 120.200 0.117 0.000 2.264 160 E HA -0.118 4.231 4.350 -0.001 0.000 0.223 160 E C -2.042 174.598 176.600 0.066 0.000 1.220 160 E CA 0.461 56.927 56.400 0.110 0.000 0.692 160 E CB -1.790 27.919 29.700 0.014 0.000 1.203 160 E HN 0.713 nan 8.360 nan 0.000 0.384 161 P HA 0.062 nan 4.420 nan 0.000 0.274 161 P C 0.149 177.447 177.300 -0.003 0.000 1.246 161 P CA -0.078 63.039 63.100 0.028 0.000 0.795 161 P CB 0.807 32.517 31.700 0.017 0.000 1.006 162 D N -0.373 120.005 120.400 -0.036 0.000 2.240 162 D HA 0.053 4.693 4.640 -0.001 0.000 0.206 162 D C 0.278 176.466 176.300 -0.188 0.000 0.963 162 D CA 1.061 55.005 54.000 -0.094 0.000 0.863 162 D CB 0.260 41.001 40.800 -0.099 0.000 0.973 162 D HN 0.096 nan 8.370 nan 0.000 0.501 163 V N 1.944 121.724 119.914 -0.223 0.000 2.483 163 V HA 0.259 4.379 4.120 -0.001 0.000 0.297 163 V C -0.706 175.307 176.094 -0.134 0.000 1.027 163 V CA -0.957 61.184 62.300 -0.265 0.000 0.855 163 V CB 2.523 34.049 31.823 -0.495 0.000 0.995 163 V HN -0.083 nan 8.190 nan 0.000 0.424 164 L N 6.728 127.875 121.223 -0.127 0.000 2.272 164 L HA 0.632 4.971 4.340 -0.001 0.000 0.289 164 L C -0.695 176.121 176.870 -0.090 0.000 1.032 164 L CA 0.124 54.909 54.840 -0.092 0.000 0.810 164 L CB 0.949 42.944 42.059 -0.106 0.000 1.205 164 L HN 0.542 nan 8.230 nan 0.000 0.422 165 L N 6.397 127.596 121.223 -0.041 0.000 2.322 165 L HA 0.619 4.958 4.340 -0.001 0.000 0.281 165 L C -0.517 176.342 176.870 -0.019 0.000 1.014 165 L CA -0.444 54.385 54.840 -0.019 0.000 0.815 165 L CB 1.664 43.740 42.059 0.028 0.000 1.247 165 L HN 0.604 nan 8.230 nan 0.000 0.421 166 M N 3.063 122.630 119.600 -0.054 0.000 2.326 166 M HA 0.368 4.847 4.480 -0.001 0.000 0.292 166 M C -1.513 174.655 176.300 -0.219 0.000 1.081 166 M CA -0.515 54.705 55.300 -0.132 0.000 0.919 166 M CB 2.874 35.362 32.600 -0.187 0.000 1.634 166 M HN 0.387 nan 8.290 nan 0.000 0.451 167 D N 2.751 123.083 120.400 -0.113 0.000 2.462 167 D HA 0.179 4.819 4.640 -0.001 0.000 0.245 167 D C -0.486 175.767 176.300 -0.079 0.000 1.122 167 D CA 0.016 53.971 54.000 -0.076 0.000 0.864 167 D CB 1.038 41.869 40.800 0.052 0.000 1.098 167 D HN 0.716 nan 8.370 nan 0.000 0.541 168 E N 3.045 123.146 120.200 -0.166 0.000 2.149 168 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 168 E C -1.928 174.656 176.600 -0.026 0.000 1.384 168 E CA 0.074 56.430 56.400 -0.072 0.000 0.698 168 E CB -0.331 29.391 29.700 0.037 0.000 1.086 168 E HN 0.408 nan 8.360 nan 0.000 0.338 169 P HA -0.098 nan 4.420 nan 0.000 0.223 169 P C 0.396 177.729 177.300 0.055 0.000 1.151 169 P CA 0.698 63.802 63.100 0.008 0.000 0.787 169 P CB 0.273 31.979 31.700 0.009 0.000 0.788 170 L N -0.887 120.382 121.223 0.077 0.000 3.062 170 L HA 0.199 4.538 4.340 -0.001 0.000 0.255 170 L C 1.669 178.575 176.870 0.060 0.000 1.274 170 L CA 0.296 55.181 54.840 0.075 0.000 1.047 170 L CB -1.359 40.759 42.059 0.097 0.000 1.402 170 L HN -0.052 nan 8.230 nan 0.000 0.550 171 S N -1.135 114.602 115.700 0.062 0.000 2.383 171 S HA -0.043 4.426 4.470 -0.001 0.000 0.227 171 S C 0.996 175.635 174.600 0.064 0.000 1.026 171 S CA 0.888 59.132 58.200 0.073 0.000 0.981 171 S CB -0.217 63.036 63.200 0.089 0.000 0.818 171 S HN 0.520 nan 8.310 nan 0.000 0.472 172 N N 1.561 120.294 118.700 0.054 0.000 2.908 172 N HA 0.445 5.185 4.740 -0.001 0.000 0.316 172 N C -1.604 173.927 175.510 0.035 0.000 1.619 172 N CA -0.088 52.988 53.050 0.044 0.000 1.045 172 N CB 0.838 39.350 38.487 0.043 0.000 1.357 172 N HN 0.276 nan 8.380 nan 0.000 0.501 173 L N 1.057 122.299 121.223 0.032 0.000 2.408 173 L HA 0.229 4.569 4.340 -0.001 0.000 0.268 173 L C 0.096 176.977 176.870 0.018 0.000 0.986 173 L CA -1.006 53.848 54.840 0.024 0.000 0.820 173 L CB 1.887 43.960 42.059 0.024 0.000 1.303 173 L HN 0.181 nan 8.230 nan 0.000 0.411 174 D N 2.599 123.007 120.400 0.012 0.000 2.472 174 D HA 0.007 4.647 4.640 -0.001 0.000 0.248 174 D C 1.145 177.448 176.300 0.004 0.000 1.174 174 D CA 0.507 54.512 54.000 0.008 0.000 0.883 174 D CB 1.192 41.994 40.800 0.004 0.000 1.149 174 D HN 0.681 nan 8.370 nan 0.000 0.488 175 A N 4.974 127.795 122.820 0.003 0.000 1.853 175 A HA -0.419 3.901 4.320 -0.001 0.000 0.255 175 A C 2.047 179.627 177.584 -0.007 0.000 2.273 175 A CA 2.935 54.970 52.037 -0.003 0.000 0.797 175 A CB -1.046 17.951 19.000 -0.005 0.000 0.844 175 A HN 0.800 nan 8.150 nan 0.000 0.520 176 K N -1.091 119.304 120.400 -0.009 0.000 2.020 176 K HA -0.215 4.104 4.320 -0.001 0.000 0.212 176 K C 2.013 178.606 176.600 -0.011 0.000 1.050 176 K CA 1.983 58.263 56.287 -0.012 0.000 0.929 176 K CB -0.365 32.128 32.500 -0.012 0.000 0.714 176 K HN 0.428 nan 8.250 nan 0.000 0.443 177 L N 1.634 122.853 121.223 -0.006 0.000 1.994 177 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 177 L C 2.481 179.350 176.870 -0.003 0.000 1.071 177 L CA 1.814 56.652 54.840 -0.004 0.000 0.745 177 L CB -0.780 41.279 42.059 0.000 0.000 0.892 177 L HN 0.191 nan 8.230 nan 0.000 0.431 178 R N -0.791 119.710 120.500 0.002 0.000 2.112 178 R HA -0.202 4.138 4.340 -0.001 0.000 0.242 178 R C 2.097 178.394 176.300 -0.004 0.000 1.137 178 R CA 2.584 58.688 56.100 0.008 0.000 0.944 178 R CB -0.602 29.704 30.300 0.011 0.000 0.857 178 R HN 0.386 nan 8.270 nan 0.000 0.435 179 V N 0.975 120.879 119.914 -0.016 0.000 2.324 179 V HA -0.298 3.821 4.120 -0.001 0.000 0.250 179 V C 2.510 178.583 176.094 -0.035 0.000 1.060 179 V CA 2.025 64.306 62.300 -0.031 0.000 1.042 179 V CB -0.956 30.846 31.823 -0.034 0.000 0.650 179 V HN 0.613 nan 8.190 nan 0.000 0.450 180 A N -0.670 122.134 122.820 -0.026 0.000 1.940 180 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 180 A C 2.204 179.773 177.584 -0.026 0.000 1.176 180 A CA 2.112 54.133 52.037 -0.027 0.000 0.631 180 A CB -0.445 18.543 19.000 -0.020 0.000 0.814 180 A HN 0.421 nan 8.150 nan 0.000 0.446 181 M N -0.749 118.843 119.600 -0.014 0.000 2.200 181 M HA -0.036 4.443 4.480 -0.001 0.000 0.265 181 M C 2.124 178.416 176.300 -0.013 0.000 1.066 181 M CA 1.206 56.505 55.300 -0.002 0.000 1.127 181 M CB -1.197 31.416 32.600 0.022 0.000 1.379 181 M HN 0.422 nan 8.290 nan 0.000 0.420 182 R N 0.020 120.499 120.500 -0.035 0.000 2.080 182 R HA -0.116 4.223 4.340 -0.001 0.000 0.236 182 R C 2.307 178.535 176.300 -0.121 0.000 1.137 182 R CA 1.783 57.827 56.100 -0.093 0.000 0.943 182 R CB -0.617 29.618 30.300 -0.109 0.000 0.846 182 R HN 0.395 nan 8.270 nan 0.000 0.431 183 A N 0.871 123.636 122.820 -0.093 0.000 1.898 183 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 183 A C 2.049 179.592 177.584 -0.069 0.000 1.181 183 A CA 1.567 53.549 52.037 -0.091 0.000 0.620 183 A CB -0.387 18.571 19.000 -0.070 0.000 0.819 183 A HN 0.270 nan 8.150 nan 0.000 0.442 184 E N 0.523 120.694 120.200 -0.047 0.000 2.038 184 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 184 E C 1.696 178.282 176.600 -0.022 0.000 1.000 184 E CA 1.823 58.202 56.400 -0.034 0.000 0.803 184 E CB -0.452 29.233 29.700 -0.024 0.000 0.750 184 E HN 0.623 nan 8.360 nan 0.000 0.448 185 I N 0.117 120.684 120.570 -0.005 0.000 2.142 185 I HA -0.271 3.898 4.170 -0.001 0.000 0.240 185 I C 2.401 178.555 176.117 0.061 0.000 1.078 185 I CA 1.389 62.719 61.300 0.051 0.000 1.343 185 I CB -0.377 37.689 38.000 0.109 0.000 1.046 185 I HN 0.096 nan 8.210 nan 0.000 0.405 186 K N 1.669 122.027 120.400 -0.070 0.000 2.032 186 K HA -0.201 4.119 4.320 -0.001 0.000 0.209 186 K C 1.957 178.532 176.600 -0.042 0.000 1.048 186 K CA 1.765 57.958 56.287 -0.156 0.000 0.927 186 K CB -0.213 32.093 32.500 -0.324 0.000 0.712 186 K HN 0.161 nan 8.250 nan 0.000 0.441 187 K N -0.132 120.240 120.400 -0.046 0.000 2.057 187 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 187 K C 2.048 178.647 176.600 -0.003 0.000 1.049 187 K CA 1.369 57.639 56.287 -0.027 0.000 0.931 187 K CB -0.356 32.123 32.500 -0.036 0.000 0.714 187 K HN 0.090 nan 8.250 nan 0.000 0.440 188 L N 1.746 122.968 121.223 -0.001 0.000 2.012 188 L HA -0.240 4.100 4.340 -0.001 0.000 0.210 188 L C 2.491 179.377 176.870 0.026 0.000 1.073 188 L CA 1.831 56.666 54.840 -0.008 0.000 0.748 188 L CB -0.526 41.519 42.059 -0.023 0.000 0.891 188 L HN 0.217 nan 8.230 nan 0.000 0.431 189 Q N -0.487 119.365 119.800 0.086 0.000 2.119 189 Q HA -0.230 4.110 4.340 -0.001 0.000 0.201 189 Q C 2.157 178.220 176.000 0.106 0.000 0.972 189 Q CA 1.870 57.749 55.803 0.126 0.000 0.847 189 Q CB -0.171 28.745 28.738 0.298 0.000 0.903 189 Q HN 0.711 nan 8.270 nan 0.000 0.433 190 Q N 0.027 119.879 119.800 0.087 0.000 2.226 190 Q HA -0.152 4.187 4.340 -0.001 0.000 0.204 190 Q C 1.962 177.986 176.000 0.041 0.000 0.975 190 Q CA 1.307 57.144 55.803 0.056 0.000 0.866 190 Q CB 0.033 28.783 28.738 0.021 0.000 0.915 190 Q HN 0.235 nan 8.270 nan 0.000 0.440 191 K N 0.824 121.245 120.400 0.035 0.000 2.044 191 K HA -0.043 4.276 4.320 -0.001 0.000 0.204 191 K C 1.888 178.520 176.600 0.053 0.000 1.045 191 K CA 0.510 56.817 56.287 0.033 0.000 0.951 191 K CB 0.074 32.584 32.500 0.016 0.000 0.738 191 K HN 0.105 nan 8.250 nan 0.000 0.443 192 L N 0.885 122.143 121.223 0.058 0.000 2.275 192 L HA -0.067 4.273 4.340 -0.001 0.000 0.215 192 L C 0.421 177.333 176.870 0.070 0.000 1.119 192 L CA 0.566 55.459 54.840 0.088 0.000 0.790 192 L CB -0.130 41.980 42.059 0.085 0.000 0.919 192 L HN 0.250 nan 8.230 nan 0.000 0.443 193 K N -0.032 120.401 120.400 0.054 0.000 3.069 193 K HA -0.163 4.157 4.320 -0.001 0.000 0.267 193 K C -0.311 176.302 176.600 0.023 0.000 1.082 193 K CA 0.442 56.754 56.287 0.042 0.000 0.782 193 K CB -2.311 30.212 32.500 0.037 0.000 1.230 193 K HN 0.186 nan 8.250 nan 0.000 0.488 194 V N 1.305 121.227 119.914 0.014 0.000 2.498 194 V HA 0.185 4.305 4.120 -0.001 0.000 0.279 194 V C 0.428 176.480 176.094 -0.069 0.000 1.048 194 V CA -0.192 62.096 62.300 -0.020 0.000 0.967 194 V CB 1.324 33.140 31.823 -0.012 0.000 0.988 194 V HN 0.385 nan 8.190 nan 0.000 0.473 195 T N 6.132 120.631 114.554 -0.092 0.000 2.792 195 T HA 0.149 4.499 4.350 -0.001 0.000 0.286 195 T C 0.075 174.665 174.700 -0.184 0.000 0.970 195 T CA 0.489 62.514 62.100 -0.125 0.000 1.187 195 T CB -0.224 68.558 68.868 -0.144 0.000 0.915 195 T HN 0.906 nan 8.240 nan 0.000 0.529 196 T N 4.645 119.046 114.554 -0.256 0.000 2.841 196 T HA 0.576 4.926 4.350 -0.001 0.000 0.283 196 T C -0.022 174.474 174.700 -0.340 0.000 1.000 196 T CA -0.618 61.244 62.100 -0.398 0.000 0.977 196 T CB 1.061 69.436 68.868 -0.822 0.000 0.979 196 T HN 0.424 nan 8.240 nan 0.000 0.446 197 I N 3.074 123.528 120.570 -0.194 0.000 2.382 197 I HA 0.367 4.537 4.170 -0.001 0.000 0.286 197 I C -1.200 174.934 176.117 0.029 0.000 1.002 197 I CA -0.927 60.342 61.300 -0.050 0.000 1.135 197 I CB 1.202 39.195 38.000 -0.011 0.000 1.288 197 I HN 0.609 nan 8.210 nan 0.000 0.448 198 Y N 6.442 126.733 120.300 -0.015 0.000 2.335 198 Y HA 0.553 5.102 4.550 -0.001 0.000 0.338 198 Y C -0.535 175.434 175.900 0.115 0.000 0.977 198 Y CA -0.560 57.594 58.100 0.090 0.000 1.114 198 Y CB 1.489 40.141 38.460 0.321 0.000 1.182 198 Y HN 0.225 nan 8.280 nan 0.000 0.463 199 V N 5.322 125.192 119.914 -0.074 0.000 2.427 199 V HA 0.656 4.775 4.120 -0.001 0.000 0.286 199 V C -0.145 175.939 176.094 -0.016 0.000 1.034 199 V CA -0.286 62.018 62.300 0.006 0.000 0.893 199 V CB 1.457 33.277 31.823 -0.005 0.000 0.982 199 V HN 0.853 nan 8.190 nan 0.000 0.452 200 T N 1.923 116.547 114.554 0.116 0.000 2.907 200 T HA 0.329 4.679 4.350 -0.001 0.000 0.344 200 T C -0.038 174.758 174.700 0.161 0.000 1.675 200 T CA -0.210 61.953 62.100 0.106 0.000 1.076 200 T CB 1.085 70.046 68.868 0.155 0.000 1.483 200 T HN 1.019 nan 8.240 nan 0.000 0.487 201 H N 1.020 120.199 119.070 0.181 0.000 2.575 201 H HA 0.436 4.992 4.556 -0.001 0.000 0.267 201 H C 0.346 175.798 175.328 0.207 0.000 0.966 201 H CA -0.138 56.057 56.048 0.246 0.000 1.165 201 H CB 0.338 30.219 29.762 0.199 0.000 1.433 201 H HN 0.331 nan 8.280 nan 0.000 0.544 202 D N 1.837 122.040 120.400 -0.328 0.000 2.374 202 D HA -0.045 4.595 4.640 -0.001 0.000 0.240 202 D C 0.774 177.058 176.300 -0.027 0.000 1.229 202 D CA -0.096 53.776 54.000 -0.213 0.000 0.895 202 D CB 1.070 41.722 40.800 -0.247 0.000 1.046 202 D HN 0.668 nan 8.370 nan 0.000 0.498 203 Q N 2.283 122.066 119.800 -0.028 0.000 2.170 203 Q HA -0.122 4.217 4.340 -0.001 0.000 0.203 203 Q C 1.562 177.550 176.000 -0.021 0.000 0.976 203 Q CA 1.149 56.958 55.803 0.011 0.000 0.858 203 Q CB -0.388 28.302 28.738 -0.080 0.000 0.907 203 Q HN 0.291 nan 8.270 nan 0.000 0.433 204 V N 1.156 121.035 119.914 -0.058 0.000 2.307 204 V HA -0.251 3.868 4.120 -0.001 0.000 0.245 204 V C 2.387 178.441 176.094 -0.067 0.000 1.045 204 V CA 2.091 64.349 62.300 -0.069 0.000 1.024 204 V CB -0.615 31.164 31.823 -0.073 0.000 0.651 204 V HN 0.568 nan 8.190 nan 0.000 0.449 205 E N 0.077 120.244 120.200 -0.054 0.000 2.160 205 E HA -0.230 4.120 4.350 -0.001 0.000 0.195 205 E C 2.166 178.721 176.600 -0.075 0.000 0.991 205 E CA 1.350 57.717 56.400 -0.056 0.000 0.810 205 E CB -0.202 29.497 29.700 -0.001 0.000 0.742 205 E HN 0.583 nan 8.360 nan 0.000 0.466 206 A N 0.871 123.684 122.820 -0.013 0.000 1.873 206 A HA -0.167 4.153 4.320 -0.001 0.000 0.215 206 A C 2.152 179.705 177.584 -0.051 0.000 1.186 206 A CA 1.496 53.538 52.037 0.008 0.000 0.616 206 A CB -0.372 18.685 19.000 0.095 0.000 0.823 206 A HN 0.274 nan 8.150 nan 0.000 0.442 207 M N -0.020 119.551 119.600 -0.048 0.000 2.358 207 M HA -0.090 4.390 4.480 -0.001 0.000 0.264 207 M C 1.882 178.111 176.300 -0.118 0.000 1.064 207 M CA 1.697 56.954 55.300 -0.071 0.000 1.093 207 M CB -1.650 30.898 32.600 -0.086 0.000 1.401 207 M HN 0.447 nan 8.290 nan 0.000 0.440 208 T N -0.038 114.428 114.554 -0.147 0.000 2.978 208 T HA 0.090 4.439 4.350 -0.001 0.000 0.262 208 T C 1.862 176.395 174.700 -0.279 0.000 1.063 208 T CA 0.914 62.904 62.100 -0.183 0.000 1.140 208 T CB 0.165 68.933 68.868 -0.167 0.000 0.886 208 T HN 0.353 nan 8.240 nan 0.000 0.470 209 M N 0.359 119.729 119.600 -0.384 0.000 2.730 209 M HA 0.287 4.766 4.480 -0.001 0.000 0.258 209 M C 1.422 177.259 176.300 -0.771 0.000 1.279 209 M CA -0.041 54.834 55.300 -0.708 0.000 1.183 209 M CB 0.186 32.185 32.600 -1.002 0.000 1.291 209 M HN 0.114 nan 8.290 nan 0.000 0.518 210 G N 0.681 109.256 108.800 -0.374 0.000 2.378 210 G HA2 0.062 4.022 3.960 -0.001 0.000 0.255 210 G HA3 0.062 4.022 3.960 -0.001 0.000 0.255 210 G C -0.056 174.814 174.900 -0.051 0.000 1.270 210 G CA -0.349 44.690 45.100 -0.101 0.000 0.876 210 G HN 0.208 nan 8.290 nan 0.000 0.521 211 D N 1.100 121.524 120.400 0.040 0.000 2.183 211 D HA -0.001 4.638 4.640 -0.001 0.000 0.203 211 D C 1.128 177.457 176.300 0.048 0.000 0.969 211 D CA 1.119 55.142 54.000 0.037 0.000 0.842 211 D CB 0.463 41.310 40.800 0.078 0.000 0.957 211 D HN 0.375 nan 8.370 nan 0.000 0.484 212 R N -0.402 120.144 120.500 0.076 0.000 2.740 212 R HA 0.617 4.957 4.340 -0.001 0.000 0.273 212 R C -0.840 175.516 176.300 0.093 0.000 0.998 212 R CA -0.636 55.508 56.100 0.075 0.000 0.900 212 R CB 2.419 32.762 30.300 0.072 0.000 1.223 212 R HN -0.137 nan 8.270 nan 0.000 0.466 213 I N 0.956 121.579 120.570 0.089 0.000 2.545 213 I HA 0.464 4.633 4.170 -0.001 0.000 0.292 213 I C -0.525 175.649 176.117 0.095 0.000 1.040 213 I CA -0.869 60.493 61.300 0.104 0.000 1.068 213 I CB 2.257 40.320 38.000 0.105 0.000 1.251 213 I HN 0.627 nan 8.210 nan 0.000 0.424 214 A N 6.372 129.250 122.820 0.097 0.000 2.316 214 A HA 0.636 4.955 4.320 -0.001 0.000 0.324 214 A C -0.540 177.083 177.584 0.065 0.000 1.375 214 A CA -0.477 51.604 52.037 0.073 0.000 0.882 214 A CB 0.529 19.567 19.000 0.064 0.000 1.152 214 A HN 0.432 nan 8.150 nan 0.000 0.512 215 V N 4.328 124.277 119.914 0.058 0.000 2.488 215 V HA 0.289 4.409 4.120 -0.001 0.000 0.277 215 V C 0.406 176.482 176.094 -0.030 0.000 1.046 215 V CA 0.532 62.851 62.300 0.031 0.000 0.986 215 V CB 0.507 32.375 31.823 0.076 0.000 0.989 215 V HN 0.932 nan 8.190 nan 0.000 0.475 216 M N 4.250 123.802 119.600 -0.080 0.000 2.662 216 M HA 0.576 5.056 4.480 -0.001 0.000 0.310 216 M C -0.607 175.545 176.300 -0.247 0.000 1.204 216 M CA -0.634 54.590 55.300 -0.126 0.000 0.891 216 M CB 2.276 34.838 32.600 -0.063 0.000 1.732 216 M HN 0.688 nan 8.290 nan 0.000 0.467 217 N N 0.157 118.680 118.700 -0.295 0.000 2.827 217 N HA 0.276 5.016 4.740 -0.001 0.000 0.248 217 N C -1.354 173.996 175.510 -0.266 0.000 1.074 217 N CA -0.404 52.399 53.050 -0.412 0.000 1.042 217 N CB 1.383 39.225 38.487 -1.076 0.000 1.684 217 N HN 0.671 nan 8.380 nan 0.000 0.542 218 R N 2.705 123.119 120.500 -0.144 0.000 3.416 218 R HA -0.187 4.152 4.340 -0.001 0.000 0.263 218 R C 0.713 176.961 176.300 -0.087 0.000 1.053 218 R CA 1.143 57.202 56.100 -0.068 0.000 0.705 218 R CB -1.950 28.301 30.300 -0.081 0.000 1.124 218 R HN 1.196 nan 8.270 nan 0.000 0.444 219 G N -0.836 107.917 108.800 -0.077 0.000 2.184 219 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.264 219 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.264 219 G C 0.086 174.931 174.900 -0.092 0.000 0.975 219 G CA 0.892 45.939 45.100 -0.089 0.000 0.642 219 G HN 0.474 nan 8.290 nan 0.000 0.536 220 Q N -0.873 118.862 119.800 -0.108 0.000 2.301 220 Q HA 0.650 4.990 4.340 -0.001 0.000 0.267 220 Q C -0.569 175.374 176.000 -0.096 0.000 1.035 220 Q CA -1.092 54.653 55.803 -0.098 0.000 0.856 220 Q CB 2.271 30.947 28.738 -0.104 0.000 1.337 220 Q HN 0.312 nan 8.270 nan 0.000 0.450 221 L N 3.039 124.224 121.223 -0.063 0.000 2.295 221 L HA 0.149 4.489 4.340 -0.001 0.000 0.288 221 L C 0.098 176.943 176.870 -0.042 0.000 1.079 221 L CA 0.588 55.402 54.840 -0.043 0.000 0.830 221 L CB 0.019 42.068 42.059 -0.017 0.000 1.200 221 L HN 0.744 nan 8.230 nan 0.000 0.438 222 L N 3.090 124.281 121.223 -0.054 0.000 2.162 222 L HA 0.187 4.526 4.340 -0.001 0.000 0.205 222 L C 0.843 177.722 176.870 0.015 0.000 1.086 222 L CA 0.542 55.363 54.840 -0.032 0.000 0.778 222 L CB -0.147 41.881 42.059 -0.052 0.000 0.928 222 L HN 0.748 nan 8.230 nan 0.000 0.446 223 Q N -0.638 119.179 119.800 0.028 0.000 2.647 223 Q HA 0.498 4.838 4.340 -0.001 0.000 0.283 223 Q C -1.946 174.084 176.000 0.050 0.000 0.943 223 Q CA -0.492 55.338 55.803 0.045 0.000 0.813 223 Q CB 2.996 31.774 28.738 0.066 0.000 1.477 223 Q HN 0.086 nan 8.270 nan 0.000 0.393 224 I N 1.062 121.662 120.570 0.051 0.000 2.802 224 I HA 0.916 5.086 4.170 -0.001 0.000 0.298 224 I C -0.920 175.230 176.117 0.056 0.000 1.176 224 I CA -0.146 61.187 61.300 0.055 0.000 1.025 224 I CB 2.194 40.223 38.000 0.048 0.000 1.243 224 I HN 0.806 nan 8.210 nan 0.000 0.424 225 G N 3.246 112.084 108.800 0.062 0.000 2.324 225 G HA2 0.265 4.224 3.960 -0.001 0.000 0.293 225 G HA3 0.265 4.224 3.960 -0.001 0.000 0.293 225 G C -1.217 173.721 174.900 0.064 0.000 1.297 225 G CA -0.198 44.937 45.100 0.059 0.000 0.853 225 G HN 0.931 nan 8.290 nan 0.000 0.535 226 S N -0.070 115.664 115.700 0.058 0.000 2.584 226 S HA 0.447 4.917 4.470 -0.001 0.000 0.270 226 S C -1.362 173.279 174.600 0.068 0.000 1.346 226 S CA -0.177 58.056 58.200 0.054 0.000 1.018 226 S CB 1.726 64.954 63.200 0.045 0.000 0.899 226 S HN 0.304 nan 8.310 nan 0.000 0.542 227 P HA -0.084 nan 4.420 nan 0.000 0.217 227 P C 1.354 178.726 177.300 0.120 0.000 1.148 227 P CA 1.428 64.569 63.100 0.067 0.000 0.828 227 P CB -0.262 31.445 31.700 0.011 0.000 0.783 228 T N -0.756 113.860 114.554 0.104 0.000 2.777 228 T HA -0.134 4.215 4.350 -0.001 0.000 0.266 228 T C 1.582 176.375 174.700 0.154 0.000 1.040 228 T CA 1.288 63.476 62.100 0.146 0.000 1.141 228 T CB -0.565 68.359 68.868 0.094 0.000 0.868 228 T HN 0.352 nan 8.240 nan 0.000 0.444 229 E N 0.997 121.261 120.200 0.107 0.000 2.028 229 E HA -0.079 4.271 4.350 -0.001 0.000 0.190 229 E C 2.571 179.226 176.600 0.092 0.000 0.984 229 E CA 1.380 57.831 56.400 0.086 0.000 0.800 229 E CB -0.370 29.370 29.700 0.065 0.000 0.758 229 E HN 0.483 nan 8.360 nan 0.000 0.448 230 V N -0.499 119.481 119.914 0.111 0.000 2.759 230 V HA -0.211 3.908 4.120 -0.001 0.000 0.256 230 V C 2.056 178.234 176.094 0.142 0.000 1.080 230 V CA 1.433 63.803 62.300 0.116 0.000 1.101 230 V CB -0.830 31.069 31.823 0.127 0.000 0.698 230 V HN 0.210 nan 8.190 nan 0.000 0.477 231 Y N 0.728 121.059 120.300 0.051 0.000 2.230 231 Y HA 0.228 4.777 4.550 -0.001 0.000 0.294 231 Y C 2.066 178.008 175.900 0.070 0.000 1.120 231 Y CA 1.392 59.523 58.100 0.052 0.000 1.129 231 Y CB -0.061 38.431 38.460 0.053 0.000 1.040 231 Y HN 0.158 nan 8.280 nan 0.000 0.519 232 L N -0.086 121.073 121.223 -0.108 0.000 2.240 232 L HA 0.051 4.390 4.340 -0.001 0.000 0.211 232 L C 0.536 177.399 176.870 -0.012 0.000 1.106 232 L CA 0.917 55.673 54.840 -0.140 0.000 0.793 232 L CB -0.058 42.009 42.059 0.014 0.000 0.927 232 L HN 0.016 nan 8.230 nan 0.000 0.446 233 R N 0.335 120.835 120.500 0.001 0.000 2.653 233 R HA 0.243 4.582 4.340 -0.001 0.000 0.269 233 R C -2.496 173.808 176.300 0.007 0.000 1.603 233 R CA -1.401 54.715 56.100 0.026 0.000 1.671 233 R CB 0.933 31.257 30.300 0.041 0.000 1.300 233 R HN -0.024 nan 8.270 nan 0.000 0.668 234 P HA 0.051 nan 4.420 nan 0.000 0.279 234 P C -0.544 176.812 177.300 0.095 0.000 1.239 234 P CA -0.302 62.824 63.100 0.043 0.000 0.789 234 P CB 0.923 32.644 31.700 0.036 0.000 0.933 235 N N 0.329 119.099 118.700 0.118 0.000 2.370 235 N HA 0.048 4.787 4.740 -0.001 0.000 0.198 235 N C -0.274 175.371 175.510 0.224 0.000 1.156 235 N CA -0.305 52.819 53.050 0.124 0.000 0.839 235 N CB -0.186 38.350 38.487 0.082 0.000 0.989 235 N HN 0.405 nan 8.380 nan 0.000 0.468 236 S N -3.288 112.623 115.700 0.351 0.000 2.611 236 S HA 0.252 4.722 4.470 -0.001 0.000 0.270 236 S C 0.351 174.988 174.600 0.063 0.000 1.131 236 S CA -0.630 57.781 58.200 0.352 0.000 0.826 236 S CB 0.656 63.968 63.200 0.186 0.000 1.095 236 S HN -0.218 nan 8.310 nan 0.000 0.461 237 V N 0.918 120.619 119.914 -0.354 0.000 2.252 237 V HA -0.138 3.982 4.120 -0.001 0.000 0.249 237 V C 2.054 178.013 176.094 -0.224 0.000 1.056 237 V CA 2.796 64.707 62.300 -0.647 0.000 1.022 237 V CB -1.201 30.355 31.823 -0.445 0.000 0.641 237 V HN 0.798 nan 8.190 nan 0.000 0.445 238 F N 0.568 120.433 119.950 -0.142 0.000 2.027 238 F HA -0.282 4.244 4.527 -0.001 0.000 0.297 238 F C 2.303 178.111 175.800 0.013 0.000 1.129 238 F CA 2.496 60.468 58.000 -0.047 0.000 1.195 238 F CB -0.473 38.503 39.000 -0.040 0.000 0.960 238 F HN -0.043 nan 8.300 nan 0.000 0.485 239 V N 0.368 120.438 119.914 0.261 0.000 2.287 239 V HA -0.343 3.776 4.120 -0.001 0.000 0.248 239 V C 2.661 178.809 176.094 0.090 0.000 1.053 239 V CA 1.876 64.296 62.300 0.199 0.000 1.027 239 V CB -1.671 30.262 31.823 0.184 0.000 0.646 239 V HN 0.521 nan 8.190 nan 0.000 0.447 240 A N 0.548 123.380 122.820 0.020 0.000 2.024 240 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 240 A C 2.303 179.839 177.584 -0.080 0.000 1.164 240 A CA 2.467 54.477 52.037 -0.044 0.000 0.643 240 A CB -0.713 18.252 19.000 -0.060 0.000 0.806 240 A HN 0.685 nan 8.150 nan 0.000 0.451 241 T N -5.720 108.764 114.554 -0.117 0.000 3.040 241 T HA 0.211 4.560 4.350 -0.001 0.000 0.250 241 T C 1.189 175.814 174.700 -0.125 0.000 1.058 241 T CA 0.392 62.406 62.100 -0.142 0.000 0.988 241 T CB -0.244 68.503 68.868 -0.201 0.000 0.993 241 T HN 0.228 nan 8.240 nan 0.000 0.519 242 F N 1.695 121.501 119.950 -0.241 0.000 2.754 242 F HA 0.538 5.065 4.527 -0.001 0.000 0.297 242 F C 0.197 175.956 175.800 -0.068 0.000 1.122 242 F CA -0.712 57.161 58.000 -0.212 0.000 1.400 242 F CB 0.345 39.189 39.000 -0.261 0.000 1.117 242 F HN 0.060 nan 8.300 nan 0.000 0.587 243 I N 0.471 121.086 120.570 0.075 0.000 2.447 243 I HA 0.540 4.709 4.170 -0.001 0.000 0.287 243 I C -0.184 175.980 176.117 0.077 0.000 1.023 243 I CA -0.608 60.739 61.300 0.077 0.000 1.083 243 I CB 1.298 39.407 38.000 0.182 0.000 1.245 243 I HN 0.064 nan 8.210 nan 0.000 0.434 244 G N 4.705 113.506 108.800 0.002 0.000 3.444 244 G HA2 0.300 4.260 3.960 -0.001 0.000 0.685 244 G HA3 0.300 4.260 3.960 -0.001 0.000 0.685 244 G C -1.083 173.792 174.900 -0.043 0.000 1.145 244 G CA -0.383 44.727 45.100 0.016 0.000 0.973 244 G HN 1.005 nan 8.290 nan 0.000 0.525 245 A N 3.823 126.604 122.820 -0.064 0.000 2.422 245 A HA 0.959 5.279 4.320 -0.001 0.000 0.302 245 A C -1.828 175.723 177.584 -0.054 0.000 1.041 245 A CA -1.306 50.688 52.037 -0.072 0.000 0.708 245 A CB 1.228 20.174 19.000 -0.090 0.000 1.257 245 A HN 0.812 nan 8.150 nan 0.000 0.414 246 P HA 0.144 nan 4.420 nan 0.000 0.265 246 P C -0.070 177.186 177.300 -0.073 0.000 1.187 246 P CA 0.247 63.314 63.100 -0.055 0.000 0.766 246 P CB 0.385 32.062 31.700 -0.038 0.000 0.820 247 E N 1.009 121.154 120.200 -0.091 0.000 2.436 247 E HA -0.006 4.343 4.350 -0.001 0.000 0.262 247 E C 0.443 176.984 176.600 -0.098 0.000 1.063 247 E CA -0.129 56.210 56.400 -0.102 0.000 0.944 247 E CB 0.313 29.940 29.700 -0.121 0.000 0.950 247 E HN 0.479 nan 8.360 nan 0.000 0.444 248 M N 2.443 121.985 119.600 -0.096 0.000 2.249 248 M HA -0.024 4.456 4.480 -0.001 0.000 0.340 248 M C -0.717 175.520 176.300 -0.105 0.000 1.166 248 M CA 0.202 55.445 55.300 -0.094 0.000 1.115 248 M CB 0.240 32.787 32.600 -0.088 0.000 1.606 248 M HN 0.350 nan 8.290 nan 0.000 0.448 249 N N 5.173 123.810 118.700 -0.104 0.000 2.497 249 N HA 0.307 5.047 4.740 -0.001 0.000 0.271 249 N C -1.191 174.277 175.510 -0.070 0.000 1.142 249 N CA -0.167 52.822 53.050 -0.103 0.000 0.965 249 N CB 0.720 39.129 38.487 -0.129 0.000 1.077 249 N HN 0.430 nan 8.380 nan 0.000 0.462 250 I N 3.458 124.005 120.570 -0.039 0.000 2.411 250 I HA 0.303 4.473 4.170 -0.001 0.000 0.284 250 I C -0.671 175.506 176.117 0.099 0.000 1.012 250 I CA -0.320 60.987 61.300 0.011 0.000 1.119 250 I CB 0.587 38.553 38.000 -0.057 0.000 1.261 250 I HN 0.401 nan 8.210 nan 0.000 0.448 251 L N 5.071 126.437 121.223 0.239 0.000 2.341 251 L HA 0.465 4.805 4.340 -0.001 0.000 0.278 251 L C 0.437 177.491 176.870 0.306 0.000 1.005 251 L CA -0.705 54.319 54.840 0.307 0.000 0.818 251 L CB 2.377 44.719 42.059 0.472 0.000 1.259 251 L HN 0.550 nan 8.230 nan 0.000 0.418 252 E N 2.980 123.307 120.200 0.211 0.000 2.290 252 E HA 0.418 4.767 4.350 -0.001 0.000 0.277 252 E C -0.964 175.714 176.600 0.131 0.000 1.035 252 E CA -0.425 56.070 56.400 0.158 0.000 0.873 252 E CB 1.095 30.859 29.700 0.107 0.000 1.029 252 E HN 0.438 nan 8.360 nan 0.000 0.419 253 V N 0.362 120.346 119.914 0.117 0.000 3.182 253 V HA 0.663 4.782 4.120 -0.001 0.000 0.308 253 V C -0.756 175.366 176.094 0.047 0.000 1.240 253 V CA -0.987 61.340 62.300 0.045 0.000 1.063 253 V CB 2.138 33.987 31.823 0.043 0.000 1.076 253 V HN 0.526 nan 8.190 nan 0.000 0.446 254 S N 0.424 116.134 115.700 0.017 0.000 2.473 254 S HA 0.640 5.110 4.470 -0.001 0.000 0.307 254 S C -0.466 174.148 174.600 0.024 0.000 1.094 254 S CA -0.548 57.673 58.200 0.035 0.000 1.070 254 S CB 1.558 64.775 63.200 0.028 0.000 1.019 254 S HN 0.857 nan 8.310 nan 0.000 0.480 255 V N 4.165 124.092 119.914 0.021 0.000 2.352 255 V HA 0.319 4.438 4.120 -0.001 0.000 0.253 255 V C 1.276 177.282 176.094 -0.148 0.000 1.083 255 V CA -0.063 62.212 62.300 -0.041 0.000 0.993 255 V CB -0.352 31.482 31.823 0.020 0.000 1.111 255 V HN 1.012 nan 8.190 nan 0.000 0.490 256 G N 3.653 112.232 108.800 -0.367 0.000 2.873 256 G HA2 0.132 4.091 3.960 -0.001 0.000 0.170 256 G HA3 0.132 4.091 3.960 -0.001 0.000 0.170 256 G C 0.313 174.771 174.900 -0.735 0.000 1.608 256 G CA 0.075 44.793 45.100 -0.637 0.000 1.084 256 G HN 0.580 nan 8.290 nan 0.000 0.563 257 D N -0.009 119.774 120.400 -1.028 0.000 1.865 257 D HA 0.190 4.830 4.640 -0.001 0.000 0.279 257 D C 1.831 177.889 176.300 -0.404 0.000 1.015 257 D CA 1.492 55.226 54.000 -0.443 0.000 0.925 257 D CB -0.491 40.240 40.800 -0.114 0.000 1.252 257 D HN 0.437 nan 8.370 nan 0.000 0.480 258 G N -0.765 107.899 108.800 -0.226 0.000 4.420 258 G HA2 0.456 4.415 3.960 -0.001 0.000 0.299 258 G HA3 0.456 4.415 3.960 -0.001 0.000 0.299 258 G C -1.107 173.814 174.900 0.035 0.000 1.343 258 G CA -0.293 44.764 45.100 -0.072 0.000 1.272 258 G HN 0.365 nan 8.290 nan 0.000 0.610 259 Y N -1.960 118.343 120.300 0.004 0.000 2.750 259 Y HA 0.740 5.289 4.550 -0.001 0.000 0.335 259 Y C -1.617 174.273 175.900 -0.017 0.000 1.252 259 Y CA -2.227 55.869 58.100 -0.007 0.000 1.064 259 Y CB 1.090 39.542 38.460 -0.013 0.000 1.321 259 Y HN -0.054 nan 8.280 nan 0.000 0.451 260 L N 1.925 123.295 121.223 0.244 0.000 2.386 260 L HA 0.635 4.975 4.340 -0.001 0.000 0.271 260 L C -1.174 175.747 176.870 0.085 0.000 0.993 260 L CA -1.001 53.904 54.840 0.108 0.000 0.819 260 L CB 2.285 44.337 42.059 -0.011 0.000 1.294 260 L HN 0.812 nan 8.230 nan 0.000 0.414 261 E N 1.478 121.681 120.200 0.005 0.000 2.176 261 E HA 0.699 5.048 4.350 -0.001 0.000 0.267 261 E C -0.481 175.878 176.600 -0.402 0.000 0.893 261 E CA -0.534 55.764 56.400 -0.168 0.000 0.761 261 E CB 1.947 31.619 29.700 -0.047 0.000 1.133 261 E HN 0.577 nan 8.360 nan 0.000 0.409 262 G N 2.089 110.303 108.800 -0.977 0.000 2.667 262 G HA2 0.354 4.313 3.960 -0.001 0.000 0.310 262 G HA3 0.354 4.313 3.960 -0.001 0.000 0.310 262 G C -0.521 173.928 174.900 -0.752 0.000 1.259 262 G CA -1.389 42.961 45.100 -1.250 0.000 1.019 262 G HN 0.505 nan 8.290 nan 0.000 0.496 263 R N 0.201 120.507 120.500 -0.324 0.000 4.113 263 R HA 0.336 4.676 4.340 -0.001 0.000 0.179 263 R C 0.930 177.244 176.300 0.023 0.000 1.781 263 R CA 0.803 56.858 56.100 -0.076 0.000 1.402 263 R CB -0.347 29.982 30.300 0.048 0.000 1.375 263 R HN 0.952 nan 8.270 nan 0.000 0.786 264 G N 1.319 110.078 108.800 -0.068 0.000 2.147 264 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.128 264 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.128 264 G C -0.340 174.667 174.900 0.179 0.000 1.026 264 G CA -0.346 44.800 45.100 0.075 0.000 0.693 264 G HN 0.488 nan 8.290 nan 0.000 0.499 265 F N -1.433 118.506 119.950 -0.018 0.000 2.842 265 F HA 0.857 5.384 4.527 -0.001 0.000 0.319 265 F C -0.877 174.888 175.800 -0.059 0.000 1.159 265 F CA -1.248 56.719 58.000 -0.054 0.000 0.902 265 F CB 0.586 39.549 39.000 -0.062 0.000 1.311 265 F HN 0.454 nan 8.300 nan 0.000 0.453 266 R N 1.219 121.810 120.500 0.150 0.000 2.707 266 R HA 0.886 5.226 4.340 -0.001 0.000 0.272 266 R C -2.295 174.074 176.300 0.115 0.000 1.011 266 R CA -1.048 55.075 56.100 0.040 0.000 0.893 266 R CB 2.467 32.709 30.300 -0.097 0.000 1.233 266 R HN 0.806 nan 8.270 nan 0.000 0.464 267 I N 1.313 121.937 120.570 0.089 0.000 2.478 267 I HA 0.242 4.411 4.170 -0.001 0.000 0.287 267 I C -0.690 175.486 176.117 0.098 0.000 1.042 267 I CA -1.130 60.210 61.300 0.066 0.000 1.067 267 I CB 2.230 40.226 38.000 -0.007 0.000 1.233 267 I HN 0.595 nan 8.210 nan 0.000 0.431 268 E N 6.051 126.301 120.200 0.083 0.000 2.328 268 E HA 0.236 4.586 4.350 -0.001 0.000 0.265 268 E C -0.860 175.795 176.600 0.093 0.000 1.057 268 E CA 0.251 56.713 56.400 0.103 0.000 0.916 268 E CB 0.478 30.216 29.700 0.065 0.000 0.993 268 E HN 0.386 nan 8.360 nan 0.000 0.446 269 L N 7.475 128.759 121.223 0.101 0.000 2.259 269 L HA 0.346 4.685 4.340 -0.001 0.000 0.288 269 L C -2.012 174.885 176.870 0.046 0.000 1.051 269 L CA -2.086 52.793 54.840 0.064 0.000 0.824 269 L CB 0.976 43.060 42.059 0.043 0.000 1.206 269 L HN 0.322 nan 8.230 nan 0.000 0.429 270 P HA 0.007 nan 4.420 nan 0.000 0.270 270 P C -0.641 176.669 177.300 0.016 0.000 1.223 270 P CA -0.179 62.937 63.100 0.026 0.000 0.785 270 P CB 0.613 32.326 31.700 0.021 0.000 0.923 275 D N 1.672 122.067 120.400 -0.008 0.000 2.775 275 D HA -0.115 4.525 4.640 -0.001 0.000 0.235 275 D C -0.133 176.165 176.300 -0.002 0.000 1.120 275 D CA 0.489 54.484 54.000 -0.009 0.000 0.708 275 D CB -1.117 39.677 40.800 -0.010 0.000 1.084 275 D HN 0.432 nan 8.370 nan 0.000 0.434 276 L N 0.060 121.279 121.223 -0.008 0.000 2.660 276 L HA 0.075 4.414 4.340 -0.001 0.000 0.238 276 L C 1.851 178.739 176.870 0.030 0.000 1.161 276 L CA 0.196 55.039 54.840 0.004 0.000 0.937 276 L CB -0.108 41.942 42.059 -0.015 0.000 1.122 276 L HN 0.118 nan 8.230 nan 0.000 0.435 277 L N -1.030 120.214 121.223 0.034 0.000 2.700 277 L HA 0.101 4.441 4.340 -0.001 0.000 0.234 277 L C 1.765 178.736 176.870 0.168 0.000 1.156 277 L CA -0.088 54.812 54.840 0.100 0.000 0.946 277 L CB -0.215 41.852 42.059 0.013 0.000 1.216 277 L HN 0.185 nan 8.230 nan 0.000 0.493 278 K N 0.270 120.727 120.400 0.096 0.000 2.228 278 K HA -0.192 4.128 4.320 -0.001 0.000 0.205 278 K C 0.704 177.340 176.600 0.060 0.000 1.045 278 K CA 1.325 57.645 56.287 0.056 0.000 0.931 278 K CB -0.075 32.444 32.500 0.032 0.000 0.727 278 K HN 0.348 nan 8.250 nan 0.000 0.458 279 D N -0.816 119.650 120.400 0.109 0.000 2.328 279 D HA -0.000 4.639 4.640 -0.001 0.000 0.221 279 D C 0.166 176.342 176.300 -0.207 0.000 1.072 279 D CA 0.594 54.571 54.000 -0.038 0.000 0.850 279 D CB 0.357 41.108 40.800 -0.083 0.000 0.922 279 D HN 0.281 nan 8.370 nan 0.000 0.516 280 Y N -0.191 120.103 120.300 -0.011 0.000 2.675 280 Y HA 0.147 4.696 4.550 -0.001 0.000 0.248 280 Y C 0.538 176.425 175.900 -0.022 0.000 1.161 280 Y CA -0.393 57.703 58.100 -0.006 0.000 1.203 280 Y CB 0.582 39.046 38.460 0.007 0.000 1.262 280 Y HN -0.300 nan 8.280 nan 0.000 0.544 281 V N 1.132 121.089 119.914 0.071 0.000 2.540 281 V HA 0.232 4.352 4.120 -0.001 0.000 0.297 281 V C 1.340 177.435 176.094 0.003 0.000 1.024 281 V CA 1.503 63.807 62.300 0.007 0.000 1.105 281 V CB 0.200 32.008 31.823 -0.026 0.000 0.938 281 V HN 0.762 nan 8.190 nan 0.000 0.482 282 G N 3.795 112.594 108.800 -0.001 0.000 2.225 282 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.254 282 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.254 282 G C 0.276 175.193 174.900 0.029 0.000 0.988 282 G CA 0.554 45.659 45.100 0.009 0.000 0.625 282 G HN 0.704 nan 8.290 nan 0.000 0.527 283 K N 0.432 120.864 120.400 0.053 0.000 2.240 283 K HA 0.768 5.087 4.320 -0.001 0.000 0.237 283 K C 0.070 176.737 176.600 0.111 0.000 1.027 283 K CA 0.014 56.349 56.287 0.079 0.000 0.937 283 K CB 0.833 33.387 32.500 0.090 0.000 1.171 283 K HN 0.028 nan 8.250 nan 0.000 0.479 284 T N 1.002 115.630 114.554 0.124 0.000 2.779 284 T HA 0.537 4.886 4.350 -0.001 0.000 0.280 284 T C -0.810 173.983 174.700 0.156 0.000 0.987 284 T CA -0.687 61.485 62.100 0.119 0.000 0.966 284 T CB 0.779 69.700 68.868 0.088 0.000 0.933 284 T HN 0.404 nan 8.240 nan 0.000 0.442 285 V N 1.429 121.423 119.914 0.133 0.000 3.164 285 V HA 0.733 4.853 4.120 -0.001 0.000 0.313 285 V C -1.111 175.076 176.094 0.156 0.000 1.188 285 V CA -1.379 60.993 62.300 0.120 0.000 1.058 285 V CB 1.574 33.403 31.823 0.011 0.000 1.110 285 V HN 0.731 nan 8.190 nan 0.000 0.453 286 L N 1.902 123.243 121.223 0.196 0.000 2.280 286 L HA 0.499 4.839 4.340 -0.001 0.000 0.287 286 L C -0.667 176.423 176.870 0.367 0.000 1.023 286 L CA -0.198 54.798 54.840 0.260 0.000 0.819 286 L CB 1.311 43.506 42.059 0.226 0.000 1.212 286 L HN 0.722 nan 8.230 nan 0.000 0.420 287 F N 2.528 122.597 119.950 0.198 0.000 2.399 287 F HA 0.634 5.161 4.527 -0.001 0.000 0.342 287 F C 0.575 176.519 175.800 0.240 0.000 1.106 287 F CA -0.390 57.733 58.000 0.205 0.000 1.196 287 F CB 1.311 40.436 39.000 0.209 0.000 1.163 287 F HN 0.345 nan 8.300 nan 0.000 0.547 288 G N 6.760 115.258 108.800 -0.502 0.000 2.687 288 G HA2 0.605 4.565 3.960 -0.001 0.000 0.301 288 G HA3 0.605 4.565 3.960 -0.001 0.000 0.301 288 G C -2.074 172.528 174.900 -0.496 0.000 1.416 288 G CA -0.627 44.301 45.100 -0.286 0.000 1.005 288 G HN 0.889 nan 8.290 nan 0.000 0.509 289 I N 1.428 121.804 120.570 -0.322 0.000 2.685 289 I HA 0.435 4.605 4.170 -0.001 0.000 0.289 289 I C -0.526 175.563 176.117 -0.048 0.000 1.292 289 I CA -0.927 60.284 61.300 -0.148 0.000 1.050 289 I CB 1.630 39.526 38.000 -0.174 0.000 1.301 289 I HN 0.488 nan 8.210 nan 0.000 0.425 290 R N 7.325 127.833 120.500 0.015 0.000 2.543 290 R HA 0.244 4.583 4.340 -0.001 0.000 0.277 290 R C -1.876 174.344 176.300 -0.134 0.000 1.074 290 R CA -1.205 54.822 56.100 -0.123 0.000 1.076 290 R CB 0.348 30.450 30.300 -0.331 0.000 0.993 290 R HN 0.403 nan 8.270 nan 0.000 0.459 291 P HA -0.237 nan 4.420 nan 0.000 0.217 291 P C 0.721 177.979 177.300 -0.069 0.000 1.148 291 P CA 1.278 64.332 63.100 -0.077 0.000 0.828 291 P CB 0.180 31.840 31.700 -0.066 0.000 0.783 292 E N -1.828 118.280 120.200 -0.153 0.000 2.481 292 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 292 E C 0.456 177.043 176.600 -0.021 0.000 1.047 292 E CA 0.963 57.297 56.400 -0.111 0.000 0.867 292 E CB -0.769 28.852 29.700 -0.132 0.000 0.858 292 E HN 0.421 nan 8.360 nan 0.000 0.513 293 H N 0.179 119.280 119.070 0.052 0.000 2.507 293 H HA 0.459 5.014 4.556 -0.001 0.000 0.294 293 H C 0.314 175.671 175.328 0.049 0.000 1.064 293 H CA 0.002 56.078 56.048 0.047 0.000 1.138 293 H CB -0.079 29.703 29.762 0.033 0.000 1.515 293 H HN 0.153 nan 8.280 nan 0.000 0.547 294 M N -1.203 118.478 119.600 0.135 0.000 2.791 294 M HA 0.461 4.940 4.480 -0.001 0.000 0.286 294 M C 0.111 176.465 176.300 0.091 0.000 1.238 294 M CA -0.558 54.812 55.300 0.117 0.000 0.762 294 M CB 2.924 35.587 32.600 0.105 0.000 1.758 294 M HN 0.047 nan 8.290 nan 0.000 0.447 295 T N -0.792 113.816 114.554 0.090 0.000 2.674 295 T HA 0.553 4.903 4.350 -0.001 0.000 0.298 295 T C -2.157 172.585 174.700 0.069 0.000 1.775 295 T CA -0.589 61.552 62.100 0.068 0.000 0.960 295 T CB 1.138 70.039 68.868 0.055 0.000 1.976 295 T HN 0.458 nan 8.240 nan 0.000 0.459 296 V N 1.894 121.837 119.914 0.049 0.000 2.709 296 V HA 0.540 4.660 4.120 -0.001 0.000 0.308 296 V C -0.075 176.040 176.094 0.034 0.000 1.062 296 V CA -0.918 61.408 62.300 0.043 0.000 0.901 296 V CB 1.668 33.511 31.823 0.033 0.000 1.003 296 V HN 0.945 nan 8.190 nan 0.000 0.425 297 E N 2.583 122.802 120.200 0.031 0.000 2.452 297 E HA 0.345 4.694 4.350 -0.001 0.000 0.261 297 E C 0.956 177.570 176.600 0.022 0.000 0.987 297 E CA 1.058 57.475 56.400 0.029 0.000 0.926 297 E CB 0.595 30.308 29.700 0.022 0.000 0.934 297 E HN 1.254 nan 8.360 nan 0.000 0.452 298 G N 2.175 110.990 108.800 0.025 0.000 2.140 298 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.211 298 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.211 298 G C -0.318 174.589 174.900 0.011 0.000 1.013 298 G CA -0.018 45.092 45.100 0.017 0.000 0.705 298 G HN 0.509 nan 8.290 nan 0.000 0.508 305 M N 2.917 122.613 119.600 0.160 0.000 2.180 305 M HA 0.241 4.721 4.480 -0.001 0.000 0.358 305 M C 1.399 177.743 176.300 0.073 0.000 1.233 305 M CA -0.253 55.101 55.300 0.090 0.000 1.114 305 M CB 1.536 34.181 32.600 0.076 0.000 1.594 305 M HN 0.462 nan 8.290 nan 0.000 0.467 306 K N 1.912 122.338 120.400 0.044 0.000 1.973 306 K HA -0.035 4.285 4.320 -0.001 0.000 0.212 306 K C 0.394 177.007 176.600 0.021 0.000 1.047 306 K CA 1.341 57.643 56.287 0.026 0.000 0.937 306 K CB 0.070 32.578 32.500 0.013 0.000 0.721 306 K HN 0.561 nan 8.250 nan 0.000 0.440 307 R N 0.643 121.155 120.500 0.020 0.000 2.664 307 R HA 0.306 4.645 4.340 -0.001 0.000 0.286 307 R C -0.396 175.924 176.300 0.034 0.000 0.967 307 R CA -0.376 55.737 56.100 0.022 0.000 0.933 307 R CB 2.044 32.353 30.300 0.015 0.000 1.146 307 R HN 0.264 nan 8.270 nan 0.000 0.468 308 T N -2.083 112.495 114.554 0.041 0.000 2.754 308 T HA 0.824 5.173 4.350 -0.001 0.000 0.296 308 T C -1.283 173.452 174.700 0.059 0.000 1.205 308 T CA -0.968 61.166 62.100 0.056 0.000 1.009 308 T CB 1.976 70.879 68.868 0.057 0.000 1.368 308 T HN 0.636 nan 8.240 nan 0.000 0.509 309 A N 0.475 123.337 122.820 0.071 0.000 2.488 309 A HA 0.866 5.186 4.320 -0.001 0.000 0.298 309 A C -1.011 176.603 177.584 0.049 0.000 1.044 309 A CA -0.942 51.133 52.037 0.063 0.000 0.693 309 A CB 1.647 20.701 19.000 0.090 0.000 1.272 309 A HN 0.770 nan 8.150 nan 0.000 0.402 310 R N -0.237 120.271 120.500 0.013 0.000 2.787 310 R HA 0.915 5.254 4.340 -0.001 0.000 0.271 310 R C -1.523 174.720 176.300 -0.096 0.000 0.993 310 R CA -0.480 55.605 56.100 -0.024 0.000 0.993 310 R CB 1.550 31.836 30.300 -0.023 0.000 1.155 310 R HN 0.571 nan 8.270 nan 0.000 0.486 311 L N 1.767 122.880 121.223 -0.184 0.000 2.611 311 L HA 0.446 4.785 4.340 -0.001 0.000 0.260 311 L C -1.034 175.626 176.870 -0.351 0.000 0.924 311 L CA -0.099 54.526 54.840 -0.359 0.000 0.901 311 L CB 1.706 43.301 42.059 -0.774 0.000 1.369 311 L HN 0.501 nan 8.230 nan 0.000 0.415 312 I N 1.454 121.870 120.570 -0.256 0.000 2.577 312 I HA 0.872 5.041 4.170 -0.001 0.000 0.300 312 I C 0.663 176.669 176.117 -0.184 0.000 0.990 312 I CA -0.254 60.945 61.300 -0.168 0.000 1.283 312 I CB 1.814 39.758 38.000 -0.092 0.000 1.411 312 I HN 0.742 nan 8.210 nan 0.000 0.515 313 G N 3.966 112.711 108.800 -0.090 0.000 2.576 313 G HA2 0.380 4.340 3.960 -0.001 0.000 0.290 313 G HA3 0.380 4.340 3.960 -0.001 0.000 0.290 313 G C -1.778 173.140 174.900 0.029 0.000 1.442 313 G CA -0.786 44.299 45.100 -0.025 0.000 0.792 313 G HN 0.432 nan 8.290 nan 0.000 0.491 314 K N 0.224 120.657 120.400 0.055 0.000 2.159 314 K HA 0.543 4.862 4.320 -0.001 0.000 0.266 314 K C -0.214 176.434 176.600 0.080 0.000 0.975 314 K CA -0.717 55.603 56.287 0.055 0.000 0.865 314 K CB 2.630 35.158 32.500 0.046 0.000 1.087 314 K HN 0.237 nan 8.250 nan 0.000 0.446 315 V N 3.030 122.982 119.914 0.064 0.000 2.485 315 V HA -0.079 4.040 4.120 -0.001 0.000 0.287 315 V C 1.012 177.157 176.094 0.084 0.000 1.022 315 V CA 0.525 62.867 62.300 0.070 0.000 1.067 315 V CB 0.721 32.559 31.823 0.025 0.000 0.967 315 V HN 0.851 nan 8.190 nan 0.000 0.479 316 D N 3.268 123.750 120.400 0.136 0.000 2.301 316 D HA 0.070 4.709 4.640 -0.001 0.000 0.206 316 D C -0.076 176.375 176.300 0.252 0.000 0.979 316 D CA 0.519 54.621 54.000 0.170 0.000 0.874 316 D CB 0.367 41.278 40.800 0.186 0.000 0.968 316 D HN 0.367 nan 8.370 nan 0.000 0.510 317 F N -0.513 119.427 119.950 -0.017 0.000 2.708 317 F HA 0.421 4.947 4.527 -0.001 0.000 0.309 317 F C -1.809 173.816 175.800 -0.292 0.000 1.120 317 F CA -0.990 56.920 58.000 -0.150 0.000 0.978 317 F CB 1.281 40.175 39.000 -0.177 0.000 1.283 317 F HN -0.321 nan 8.300 nan 0.000 0.439 318 V N 3.372 122.728 119.914 -0.930 0.000 2.656 318 V HA 0.449 4.568 4.120 -0.001 0.000 0.307 318 V C -1.065 174.633 176.094 -0.660 0.000 1.051 318 V CA -0.828 61.102 62.300 -0.617 0.000 0.893 318 V CB 2.013 33.593 31.823 -0.405 0.000 0.999 318 V HN 0.683 nan 8.190 nan 0.000 0.426 319 E N 2.930 122.933 120.200 -0.329 0.000 2.173 319 E HA 0.517 4.867 4.350 -0.001 0.000 0.249 319 E C -0.240 176.306 176.600 -0.090 0.000 0.923 319 E CA -0.426 55.881 56.400 -0.155 0.000 0.754 319 E CB 1.560 31.253 29.700 -0.012 0.000 1.177 319 E HN 0.797 nan 8.360 nan 0.000 0.430 320 A N 4.430 127.196 122.820 -0.091 0.000 2.922 320 A HA 0.189 4.508 4.320 -0.001 0.000 0.298 320 A C 0.671 178.346 177.584 0.152 0.000 1.588 320 A CA -0.264 51.774 52.037 0.002 0.000 1.288 320 A CB -0.453 18.491 19.000 -0.092 0.000 1.130 320 A HN 0.693 nan 8.150 nan 0.000 0.557 321 L N 1.695 122.982 121.223 0.107 0.000 2.627 321 L HA 0.194 4.533 4.340 -0.001 0.000 0.232 321 L C 1.917 178.815 176.870 0.046 0.000 1.150 321 L CA 0.612 55.492 54.840 0.066 0.000 0.917 321 L CB -0.564 41.517 42.059 0.037 0.000 1.104 321 L HN 0.900 nan 8.230 nan 0.000 0.445 322 G N 0.296 109.174 108.800 0.131 0.000 3.548 322 G HA2 -0.459 3.500 3.960 -0.001 0.000 0.224 322 G HA3 -0.459 3.500 3.960 -0.001 0.000 0.224 322 G C 1.113 176.023 174.900 0.016 0.000 1.351 322 G CA 0.967 46.013 45.100 -0.089 0.000 0.905 322 G HN 0.285 nan 8.290 nan 0.000 0.561 323 T N 0.551 115.110 114.554 0.008 0.000 3.081 323 T HA 0.349 4.699 4.350 -0.001 0.000 0.255 323 T C 0.168 174.882 174.700 0.023 0.000 1.113 323 T CA 1.594 63.698 62.100 0.008 0.000 1.082 323 T CB -0.153 68.709 68.868 -0.010 0.000 0.939 323 T HN 0.539 nan 8.240 nan 0.000 0.506 324 D N -0.324 120.100 120.400 0.041 0.000 2.654 324 D HA 0.301 4.940 4.640 -0.001 0.000 0.231 324 D C -1.313 175.011 176.300 0.039 0.000 1.239 324 D CA -0.319 53.699 54.000 0.031 0.000 0.790 324 D CB 2.288 43.097 40.800 0.015 0.000 1.480 324 D HN -0.084 nan 8.370 nan 0.000 0.442 325 T N 1.483 116.045 114.554 0.014 0.000 2.991 325 T HA 0.429 4.779 4.350 -0.001 0.000 0.347 325 T C 0.235 174.929 174.700 -0.010 0.000 1.122 325 T CA -0.382 61.708 62.100 -0.016 0.000 1.062 325 T CB 0.154 68.990 68.868 -0.053 0.000 1.043 325 T HN 0.161 nan 8.240 nan 0.000 0.491 326 I N 4.401 124.971 120.570 0.001 0.000 2.352 326 I HA 0.356 4.525 4.170 -0.001 0.000 0.290 326 I C -0.091 176.052 176.117 0.043 0.000 1.036 326 I CA -0.570 60.758 61.300 0.048 0.000 1.336 326 I CB 0.768 38.829 38.000 0.102 0.000 1.407 326 I HN 0.313 nan 8.210 nan 0.000 0.497 327 L N 6.466 127.743 121.223 0.089 0.000 2.325 327 L HA 0.443 4.783 4.340 -0.001 0.000 0.278 327 L C -0.202 176.844 176.870 0.294 0.000 1.023 327 L CA -0.663 54.234 54.840 0.095 0.000 0.811 327 L CB 1.026 43.117 42.059 0.054 0.000 1.249 327 L HN 0.567 nan 8.230 nan 0.000 0.431 328 H N 2.292 121.402 119.070 0.067 0.000 2.700 328 H HA 0.337 4.892 4.556 -0.001 0.000 0.269 328 H C -0.747 174.627 175.328 0.076 0.000 1.222 328 H CA -0.794 55.299 56.048 0.074 0.000 1.254 328 H CB 1.241 31.087 29.762 0.140 0.000 1.413 328 H HN 0.246 nan 8.280 nan 0.000 0.507 329 V N 3.528 123.543 119.914 0.168 0.000 2.567 329 V HA 0.097 4.216 4.120 -0.001 0.000 0.289 329 V C 0.359 176.576 176.094 0.205 0.000 1.049 329 V CA -0.763 61.651 62.300 0.190 0.000 0.969 329 V CB 1.636 33.617 31.823 0.263 0.000 0.995 329 V HN 0.673 nan 8.190 nan 0.000 0.471 330 K N 4.253 124.788 120.400 0.226 0.000 2.231 330 K HA 0.374 4.694 4.320 -0.001 0.000 0.275 330 K C -1.120 175.673 176.600 0.323 0.000 1.105 330 K CA -0.245 56.174 56.287 0.221 0.000 0.931 330 K CB 0.274 32.862 32.500 0.146 0.000 1.296 330 K HN 0.394 nan 8.250 nan 0.000 0.446 331 F N 2.520 122.459 119.950 -0.018 0.000 2.439 331 F HA 0.137 4.664 4.527 -0.001 0.000 0.356 331 F C 1.540 177.396 175.800 0.093 0.000 1.161 331 F CA 0.031 57.987 58.000 -0.072 0.000 1.151 331 F CB -0.163 38.640 39.000 -0.328 0.000 1.222 331 F HN 0.886 nan 8.300 nan 0.000 0.558 332 G N 3.919 112.862 108.800 0.239 0.000 2.634 332 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.318 332 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.318 332 G C 1.096 176.113 174.900 0.195 0.000 1.207 332 G CA 0.667 45.906 45.100 0.233 0.000 0.987 332 G HN 0.447 nan 8.290 nan 0.000 0.547 333 D N 1.571 122.092 120.400 0.202 0.000 2.305 333 D HA 0.172 4.811 4.640 -0.001 0.000 0.206 333 D C 1.244 177.636 176.300 0.153 0.000 0.974 333 D CA 0.895 54.982 54.000 0.145 0.000 0.871 333 D CB 0.115 40.982 40.800 0.113 0.000 0.947 333 D HN 0.411 nan 8.370 nan 0.000 0.516 334 E N 0.155 120.486 120.200 0.218 0.000 2.345 334 E HA 0.396 4.745 4.350 -0.001 0.000 0.259 334 E C -0.664 176.004 176.600 0.114 0.000 1.117 334 E CA -0.506 55.995 56.400 0.169 0.000 0.913 334 E CB 0.990 30.828 29.700 0.230 0.000 1.057 334 E HN -0.106 nan 8.360 nan 0.000 0.432 335 L N 2.190 123.427 121.223 0.024 0.000 2.409 335 L HA 0.539 4.879 4.340 -0.001 0.000 0.272 335 L C -1.304 175.478 176.870 -0.147 0.000 0.980 335 L CA -0.858 53.967 54.840 -0.024 0.000 0.826 335 L CB 1.519 43.577 42.059 -0.002 0.000 1.268 335 L HN 0.373 nan 8.230 nan 0.000 0.407 336 V N 1.453 121.217 119.914 -0.250 0.000 3.074 336 V HA 0.706 4.825 4.120 -0.001 0.000 0.314 336 V C -0.664 175.304 176.094 -0.211 0.000 1.117 336 V CA -0.982 61.121 62.300 -0.328 0.000 1.014 336 V CB 2.050 33.486 31.823 -0.644 0.000 1.057 336 V HN 0.723 nan 8.190 nan 0.000 0.438 337 K N 1.395 121.687 120.400 -0.180 0.000 2.206 337 K HA 0.783 5.102 4.320 -0.001 0.000 0.264 337 K C -1.406 175.170 176.600 -0.040 0.000 0.967 337 K CA -0.650 55.594 56.287 -0.072 0.000 0.844 337 K CB 2.162 34.606 32.500 -0.093 0.000 1.099 337 K HN 0.595 nan 8.250 nan 0.000 0.441 338 V N 3.018 122.948 119.914 0.026 0.000 2.555 338 V HA 0.306 4.425 4.120 -0.001 0.000 0.302 338 V C -0.415 175.698 176.094 0.032 0.000 1.038 338 V CA -0.862 61.453 62.300 0.025 0.000 0.887 338 V CB 1.693 33.548 31.823 0.053 0.000 0.991 338 V HN 0.639 nan 8.190 nan 0.000 0.434 339 K N 5.091 125.500 120.400 0.015 0.000 2.293 339 K HA 0.650 4.970 4.320 -0.001 0.000 0.267 339 K C -1.451 175.157 176.600 0.013 0.000 1.010 339 K CA -0.500 55.794 56.287 0.012 0.000 0.875 339 K CB 0.840 33.336 32.500 -0.006 0.000 1.106 339 K HN 0.606 nan 8.250 nan 0.000 0.450 340 L N 6.230 127.460 121.223 0.011 0.000 2.333 340 L HA 0.472 4.811 4.340 -0.001 0.000 0.280 340 L C -2.289 174.584 176.870 0.006 0.000 1.004 340 L CA -2.603 52.242 54.840 0.007 0.000 0.820 340 L CB 1.688 43.747 42.059 0.001 0.000 1.247 340 L HN 0.486 nan 8.230 nan 0.000 0.416 341 P HA 0.236 nan 4.420 nan 0.000 0.269 341 P C 0.304 177.612 177.300 0.013 0.000 1.209 341 P CA 0.473 63.578 63.100 0.007 0.000 0.776 341 P CB 0.904 32.606 31.700 0.003 0.000 0.876 342 G N 1.086 109.901 108.800 0.024 0.000 2.725 342 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.220 342 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.220 342 G C -1.142 173.812 174.900 0.090 0.000 1.357 342 G CA -0.575 44.553 45.100 0.046 0.000 0.866 342 G HN 0.720 nan 8.290 nan 0.000 0.548 343 H N -0.065 118.991 119.070 -0.024 0.000 2.685 343 H HA 0.658 5.214 4.556 -0.001 0.000 0.286 343 H C 0.549 175.859 175.328 -0.030 0.000 1.102 343 H CA -0.723 55.308 56.048 -0.029 0.000 1.254 343 H CB 0.023 29.768 29.762 -0.028 0.000 1.397 343 H HN 0.501 nan 8.280 nan 0.000 0.473 344 I N 7.251 127.700 120.570 -0.201 0.000 2.905 344 I HA 0.214 4.383 4.170 -0.001 0.000 0.297 344 I C -2.063 173.898 176.117 -0.260 0.000 1.358 344 I CA -1.740 59.447 61.300 -0.187 0.000 0.975 344 I CB 1.339 39.286 38.000 -0.090 0.000 1.857 344 I HN 0.446 nan 8.210 nan 0.000 0.612 345 P HA -0.020 nan 4.420 nan 0.000 0.297 345 P C 0.668 177.844 177.300 -0.207 0.000 1.544 345 P CA 0.221 63.113 63.100 -0.347 0.000 0.798 345 P CB -0.744 30.713 31.700 -0.404 0.000 1.757 346 I N -3.082 117.391 120.570 -0.162 0.000 3.141 346 I HA -0.001 4.168 4.170 -0.001 0.000 0.295 346 I C 0.229 176.274 176.117 -0.120 0.000 1.252 346 I CA 0.162 61.395 61.300 -0.112 0.000 1.406 346 I CB 0.493 38.444 38.000 -0.081 0.000 1.333 346 I HN -0.002 nan 8.210 nan 0.000 0.594 347 E N 4.307 124.455 120.200 -0.088 0.000 2.204 347 E HA 0.429 4.778 4.350 -0.001 0.000 0.276 347 E C -2.357 174.205 176.600 -0.064 0.000 0.974 347 E CA -1.928 54.421 56.400 -0.084 0.000 0.815 347 E CB 0.972 30.636 29.700 -0.061 0.000 1.119 347 E HN 0.505 nan 8.360 nan 0.000 0.393 348 P HA -0.028 nan 4.420 nan 0.000 0.268 348 P C 0.685 177.984 177.300 -0.002 0.000 1.208 348 P CA 0.867 63.951 63.100 -0.025 0.000 0.777 348 P CB 0.551 32.245 31.700 -0.010 0.000 0.875 349 G N 1.658 110.469 108.800 0.018 0.000 2.420 349 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.221 349 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.221 349 G C 0.299 175.207 174.900 0.013 0.000 1.117 349 G CA 0.223 45.334 45.100 0.019 0.000 0.657 349 G HN 0.838 nan 8.290 nan 0.000 0.512 350 R N 1.633 122.135 120.500 0.003 0.000 2.734 350 R HA 0.556 4.896 4.340 -0.001 0.000 0.266 350 R C -0.054 176.252 176.300 0.008 0.000 1.044 350 R CA 0.524 56.624 56.100 0.001 0.000 1.128 350 R CB 0.576 30.870 30.300 -0.009 0.000 1.010 350 R HN 0.408 nan 8.270 nan 0.000 0.461 351 E N 2.061 122.265 120.200 0.006 0.000 2.175 351 E HA 0.334 4.683 4.350 -0.001 0.000 0.278 351 E C -0.873 175.730 176.600 0.005 0.000 0.969 351 E CA -1.061 55.344 56.400 0.008 0.000 0.796 351 E CB 1.562 31.263 29.700 0.002 0.000 1.104 351 E HN 0.518 nan 8.360 nan 0.000 0.395 352 V N 1.019 120.940 119.914 0.011 0.000 3.046 352 V HA 0.566 4.686 4.120 -0.001 0.000 0.316 352 V C -0.704 175.390 176.094 -0.001 0.000 1.104 352 V CA -1.064 61.242 62.300 0.011 0.000 1.006 352 V CB 1.764 33.604 31.823 0.028 0.000 1.058 352 V HN 0.651 nan 8.190 nan 0.000 0.440 353 K N 2.256 122.656 120.400 -0.000 0.000 2.354 353 K HA 0.592 4.911 4.320 -0.001 0.000 0.257 353 K C -1.002 175.603 176.600 0.008 0.000 1.062 353 K CA -0.516 55.762 56.287 -0.016 0.000 0.971 353 K CB 1.203 33.696 32.500 -0.012 0.000 1.305 353 K HN 0.723 nan 8.250 nan 0.000 0.449 354 V N 6.089 126.008 119.914 0.008 0.000 2.637 354 V HA 0.149 4.269 4.120 -0.001 0.000 0.296 354 V C 0.396 176.533 176.094 0.072 0.000 1.046 354 V CA -0.077 62.275 62.300 0.087 0.000 1.066 354 V CB 0.687 32.650 31.823 0.234 0.000 0.968 354 V HN 0.651 nan 8.190 nan 0.000 0.483 355 I N 5.779 126.407 120.570 0.097 0.000 2.389 355 I HA 0.435 4.604 4.170 -0.001 0.000 0.288 355 I C -0.176 176.014 176.117 0.122 0.000 0.999 355 I CA -0.286 61.067 61.300 0.089 0.000 1.129 355 I CB 1.527 39.572 38.000 0.074 0.000 1.288 355 I HN 0.450 nan 8.210 nan 0.000 0.444 356 M N 4.822 124.503 119.600 0.135 0.000 2.180 356 M HA 0.262 4.741 4.480 -0.001 0.000 0.350 356 M C -0.374 176.002 176.300 0.126 0.000 1.125 356 M CA -0.573 54.825 55.300 0.163 0.000 1.031 356 M CB 1.324 34.064 32.600 0.233 0.000 1.623 356 M HN 0.400 nan 8.290 nan 0.000 0.451 357 D N 3.438 123.905 120.400 0.112 0.000 2.383 357 D HA 0.052 4.691 4.640 -0.001 0.000 0.245 357 D C 0.709 177.035 176.300 0.043 0.000 1.263 357 D CA -0.093 53.945 54.000 0.063 0.000 0.936 357 D CB 0.730 41.552 40.800 0.035 0.000 1.053 357 D HN 0.509 nan 8.370 nan 0.000 0.507 358 L N 3.617 124.872 121.223 0.053 0.000 2.263 358 L HA -0.170 4.170 4.340 -0.001 0.000 0.216 358 L C 1.481 178.339 176.870 -0.019 0.000 1.111 358 L CA 1.476 56.346 54.840 0.050 0.000 0.773 358 L CB -0.138 41.953 42.059 0.053 0.000 0.906 358 L HN 0.339 nan 8.230 nan 0.000 0.439 359 D N -1.619 118.750 120.400 -0.051 0.000 2.355 359 D HA -0.015 4.624 4.640 -0.001 0.000 0.218 359 D C 1.567 177.751 176.300 -0.193 0.000 1.004 359 D CA 0.574 54.512 54.000 -0.103 0.000 0.880 359 D CB 0.197 40.949 40.800 -0.080 0.000 0.911 359 D HN 0.292 nan 8.370 nan 0.000 0.528 360 M N 0.110 119.581 119.600 -0.215 0.000 2.405 360 M HA 0.241 4.720 4.480 -0.001 0.000 0.292 360 M C 0.424 176.515 176.300 -0.347 0.000 1.111 360 M CA -0.301 54.803 55.300 -0.327 0.000 0.979 360 M CB 0.469 32.790 32.600 -0.465 0.000 1.426 360 M HN -0.144 nan 8.290 nan 0.000 0.509 361 I N 0.781 121.154 120.570 -0.328 0.000 2.581 361 I HA 0.090 4.259 4.170 -0.001 0.000 0.288 361 I C 0.300 176.041 176.117 -0.626 0.000 1.047 361 I CA -0.014 61.083 61.300 -0.339 0.000 1.374 361 I CB 0.674 38.640 38.000 -0.057 0.000 1.423 361 I HN 0.216 nan 8.210 nan 0.000 0.549 362 H N 4.208 123.136 119.070 -0.236 0.000 2.821 362 H HA 0.607 5.162 4.556 -0.001 0.000 0.373 362 H C -1.195 173.959 175.328 -0.290 0.000 1.165 362 H CA -0.664 55.202 56.048 -0.303 0.000 1.154 362 H CB 2.454 32.039 29.762 -0.295 0.000 1.765 362 H HN 0.180 nan 8.280 nan 0.000 0.549 363 V N 3.056 122.762 119.914 -0.346 0.000 2.612 363 V HA 0.270 4.389 4.120 -0.001 0.000 0.301 363 V C -1.101 174.757 176.094 -0.394 0.000 1.059 363 V CA -0.727 61.461 62.300 -0.186 0.000 0.886 363 V CB 1.197 32.954 31.823 -0.110 0.000 1.007 363 V HN 0.447 nan 8.190 nan 0.000 0.426 364 F N 1.662 121.600 119.950 -0.021 0.000 2.508 364 F HA 0.478 5.004 4.527 -0.001 0.000 0.325 364 F C 0.520 176.297 175.800 -0.038 0.000 1.090 364 F CA -1.003 56.983 58.000 -0.025 0.000 0.945 364 F CB 1.067 40.073 39.000 0.010 0.000 1.156 364 F HN 0.504 nan 8.300 nan 0.000 0.463 365 D N 2.335 122.821 120.400 0.142 0.000 2.455 365 D HA -0.052 4.588 4.640 -0.001 0.000 0.241 365 D C 0.897 177.308 176.300 0.184 0.000 1.138 365 D CA 0.231 54.326 54.000 0.159 0.000 0.877 365 D CB 1.018 41.956 40.800 0.230 0.000 1.187 365 D HN 0.710 nan 8.370 nan 0.000 0.451 366 K N 2.858 123.363 120.400 0.175 0.000 2.283 366 K HA -0.114 4.205 4.320 -0.001 0.000 0.202 366 K C 0.763 177.430 176.600 0.112 0.000 1.048 366 K CA 0.963 57.332 56.287 0.136 0.000 0.948 366 K CB 0.333 32.908 32.500 0.125 0.000 0.742 366 K HN 0.450 nan 8.250 nan 0.000 0.458 367 D N -0.629 119.843 120.400 0.119 0.000 2.290 367 D HA -0.077 4.562 4.640 -0.001 0.000 0.224 367 D C 1.756 178.107 176.300 0.085 0.000 0.967 367 D CA 1.652 55.706 54.000 0.090 0.000 0.893 367 D CB -0.100 40.749 40.800 0.082 0.000 1.037 367 D HN 0.317 nan 8.370 nan 0.000 0.477 368 T N -1.093 113.522 114.554 0.102 0.000 3.113 368 T HA 0.031 4.380 4.350 -0.001 0.000 0.256 368 T C 0.735 175.498 174.700 0.106 0.000 1.131 368 T CA 0.210 62.365 62.100 0.092 0.000 1.074 368 T CB -0.062 68.863 68.868 0.096 0.000 0.944 368 T HN 0.173 nan 8.240 nan 0.000 0.516 369 E N 0.454 120.729 120.200 0.126 0.000 2.971 369 E HA -0.197 4.152 4.350 -0.001 0.000 0.271 369 E C -0.422 176.317 176.600 0.231 0.000 1.053 369 E CA 0.667 57.150 56.400 0.139 0.000 0.817 369 E CB -1.159 28.579 29.700 0.064 0.000 1.410 369 E HN 0.671 nan 8.360 nan 0.000 0.445 370 K N 0.473 121.000 120.400 0.211 0.000 2.249 370 K HA 0.493 4.812 4.320 -0.001 0.000 0.280 370 K C 0.309 177.036 176.600 0.211 0.000 1.033 370 K CA 0.136 56.548 56.287 0.207 0.000 0.946 370 K CB 1.155 33.731 32.500 0.127 0.000 1.005 370 K HN 0.142 nan 8.250 nan 0.000 0.469 371 A N 3.005 125.924 122.820 0.165 0.000 2.520 371 A HA 0.096 4.415 4.320 -0.001 0.000 0.235 371 A C 0.769 178.262 177.584 -0.152 0.000 1.065 371 A CA 0.346 52.275 52.037 -0.180 0.000 0.764 371 A CB -0.105 18.752 19.000 -0.239 0.000 1.002 371 A HN 0.855 nan 8.150 nan 0.000 0.502 372 I N 0.828 121.239 120.570 -0.265 0.000 4.730 372 I HA 0.104 4.273 4.170 -0.001 0.000 0.332 372 I C -0.174 175.822 176.117 -0.202 0.000 1.299 372 I CA 0.004 61.188 61.300 -0.192 0.000 1.294 372 I CB -0.108 37.718 38.000 -0.289 0.000 1.317 372 I HN 0.480 nan 8.210 nan 0.000 0.457 373 V N 0.000 119.736 119.914 -0.296 0.000 2.409 373 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 373 V CA 0.000 62.152 62.300 -0.247 0.000 1.235 373 V CB 0.000 31.731 31.823 -0.153 0.000 1.184 373 V HN 0.000 nan 8.190 nan 0.000 0.556