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 1jpn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMGD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.406 176.300 0.176 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.418 32.600 -0.304 0.000 1.302 2 F N -1.424 118.530 119.950 0.007 0.000 2.748 2 F HA -0.276 4.251 4.527 -0.000 0.000 0.370 2 F C 1.373 177.177 175.800 0.007 0.000 0.620 2 F CA 1.357 59.361 58.000 0.006 0.000 1.233 2 F CB -1.870 37.142 39.000 0.020 0.000 1.708 2 F HN 0.683 nan 8.300 nan 0.000 0.298 3 Q N 0.567 120.448 119.800 0.135 0.000 2.077 3 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 3 Q C 2.384 178.422 176.000 0.063 0.000 0.989 3 Q CA 2.357 58.213 55.803 0.088 0.000 0.853 3 Q CB -0.419 28.350 28.738 0.052 0.000 0.907 3 Q HN 0.770 nan 8.270 nan 0.000 0.418 4 Q N 0.138 119.960 119.800 0.036 0.000 2.020 4 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 4 Q C 2.068 178.087 176.000 0.032 0.000 0.982 4 Q CA 1.472 57.287 55.803 0.020 0.000 0.838 4 Q CB -0.288 28.447 28.738 -0.005 0.000 0.899 4 Q HN 0.420 nan 8.270 nan 0.000 0.423 5 L N 1.053 122.306 121.223 0.049 0.000 2.042 5 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 5 L C 2.567 179.477 176.870 0.067 0.000 1.076 5 L CA 2.464 57.339 54.840 0.057 0.000 0.749 5 L CB -0.971 41.150 42.059 0.104 0.000 0.893 5 L HN 0.320 nan 8.230 nan 0.000 0.432 6 S N -0.800 114.959 115.700 0.098 0.000 2.370 6 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 6 S C 2.148 176.781 174.600 0.054 0.000 1.033 6 S CA 1.339 59.587 58.200 0.079 0.000 1.011 6 S CB -0.514 62.741 63.200 0.092 0.000 0.852 6 S HN 0.661 nan 8.310 nan 0.000 0.457 7 A N 2.130 124.978 122.820 0.047 0.000 1.902 7 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 7 A C 2.293 179.894 177.584 0.028 0.000 1.181 7 A CA 1.185 53.242 52.037 0.034 0.000 0.623 7 A CB -0.586 18.430 19.000 0.028 0.000 0.818 7 A HN 0.456 nan 8.150 nan 0.000 0.443 8 R N -0.312 120.204 120.500 0.026 0.000 2.075 8 R HA 0.024 4.364 4.340 -0.000 0.000 0.232 8 R C 2.075 178.389 176.300 0.024 0.000 1.126 8 R CA 1.057 57.169 56.100 0.019 0.000 0.963 8 R CB -1.063 29.243 30.300 0.011 0.000 0.858 8 R HN 0.598 nan 8.270 nan 0.000 0.435 9 L N 0.686 121.927 121.223 0.031 0.000 2.056 9 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 9 L C 2.520 179.417 176.870 0.045 0.000 1.078 9 L CA 1.312 56.177 54.840 0.041 0.000 0.749 9 L CB -0.394 41.695 42.059 0.051 0.000 0.901 9 L HN 0.222 nan 8.230 nan 0.000 0.433 10 Q N -0.219 119.605 119.800 0.041 0.000 2.119 10 Q HA -0.222 4.118 4.340 -0.000 0.000 0.201 10 Q C 2.040 178.057 176.000 0.029 0.000 0.972 10 Q CA 1.386 57.211 55.803 0.036 0.000 0.847 10 Q CB -0.010 28.747 28.738 0.032 0.000 0.903 10 Q HN 0.534 nan 8.270 nan 0.000 0.433 11 E N 0.517 120.732 120.200 0.026 0.000 2.106 11 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 11 E C 1.944 178.558 176.600 0.022 0.000 0.984 11 E CA 0.888 57.300 56.400 0.021 0.000 0.806 11 E CB -0.071 29.640 29.700 0.018 0.000 0.750 11 E HN 0.339 nan 8.360 nan 0.000 0.458 12 A N 0.922 123.758 122.820 0.026 0.000 1.902 12 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 12 A C 2.150 179.752 177.584 0.030 0.000 1.181 12 A CA 1.113 53.167 52.037 0.028 0.000 0.623 12 A CB -0.508 18.512 19.000 0.035 0.000 0.818 12 A HN 0.148 nan 8.150 nan 0.000 0.443 13 I N -0.382 120.209 120.570 0.034 0.000 2.315 13 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 13 I C 2.621 178.752 176.117 0.023 0.000 1.117 13 I CA 1.027 62.346 61.300 0.033 0.000 1.404 13 I CB -0.373 37.649 38.000 0.038 0.000 1.071 13 I HN 0.389 nan 8.210 nan 0.000 0.419 14 G N 0.294 109.107 108.800 0.021 0.000 2.432 14 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 14 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 14 G C 1.753 176.661 174.900 0.013 0.000 1.135 14 G CA 0.235 45.344 45.100 0.015 0.000 0.767 14 G HN 0.275 nan 8.290 nan 0.000 0.550 15 R N -0.415 120.094 120.500 0.015 0.000 2.293 15 R HA 0.125 4.464 4.340 -0.000 0.000 0.219 15 R C 1.983 178.290 176.300 0.012 0.000 1.091 15 R CA 0.352 56.460 56.100 0.013 0.000 1.004 15 R CB -0.190 30.119 30.300 0.014 0.000 0.865 15 R HN 0.367 nan 8.270 nan 0.000 0.469 16 L N -0.030 121.201 121.223 0.013 0.000 2.529 16 L HA 0.077 4.417 4.340 -0.000 0.000 0.223 16 L C 0.710 177.585 176.870 0.009 0.000 1.113 16 L CA 0.115 54.962 54.840 0.012 0.000 0.861 16 L CB 0.034 42.101 42.059 0.014 0.000 1.012 16 L HN 0.031 nan 8.230 nan 0.000 0.461 17 R N 0.331 120.836 120.500 0.008 0.000 2.641 17 R HA 0.253 4.593 4.340 -0.000 0.000 0.269 17 R C 0.843 177.146 176.300 0.005 0.000 1.074 17 R CA 0.466 56.570 56.100 0.006 0.000 1.133 17 R CB 0.186 30.489 30.300 0.005 0.000 1.029 17 R HN 0.188 nan 8.270 nan 0.000 0.488 18 G N 1.662 110.463 108.800 0.003 0.000 2.366 18 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.299 18 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.299 18 G C 0.426 175.328 174.900 0.003 0.000 1.020 18 G CA 0.651 45.752 45.100 0.003 0.000 1.026 18 G HN 0.690 nan 8.290 nan 0.000 0.512 19 R N -1.022 119.480 120.500 0.003 0.000 2.539 19 R HA 0.432 4.772 4.340 -0.000 0.000 0.342 19 R C 1.533 177.835 176.300 0.003 0.000 0.941 19 R CA 0.338 56.440 56.100 0.004 0.000 1.146 19 R CB 0.706 31.009 30.300 0.005 0.000 1.541 19 R HN 1.508 nan 8.270 nan 0.000 0.525 20 G N 2.077 110.879 108.800 0.002 0.000 2.598 20 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.244 20 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.244 20 G C -0.621 174.281 174.900 0.003 0.000 1.302 20 G CA -0.468 44.633 45.100 0.002 0.000 0.903 20 G HN 0.236 nan 8.290 nan 0.000 0.575 21 R N 0.079 120.581 120.500 0.002 0.000 2.643 21 R HA 0.435 4.775 4.340 -0.000 0.000 0.270 21 R C 0.986 177.288 176.300 0.004 0.000 1.061 21 R CA 0.651 56.752 56.100 0.003 0.000 1.107 21 R CB 0.173 30.474 30.300 0.002 0.000 0.999 21 R HN 0.674 nan 8.270 nan 0.000 0.460 22 I N -2.005 118.568 120.570 0.004 0.000 2.822 22 I HA 0.514 4.684 4.170 -0.000 0.000 0.312 22 I C 0.447 176.567 176.117 0.005 0.000 1.011 22 I CA -0.936 60.367 61.300 0.006 0.000 1.105 22 I CB 1.959 39.964 38.000 0.007 0.000 1.291 22 I HN 0.532 nan 8.210 nan 0.000 0.474 23 T N -1.517 113.041 114.554 0.006 0.000 2.923 23 T HA 0.307 4.657 4.350 -0.000 0.000 0.281 23 T C 0.736 175.440 174.700 0.006 0.000 0.995 23 T CA -0.398 61.706 62.100 0.005 0.000 0.985 23 T CB 1.721 70.592 68.868 0.005 0.000 1.114 23 T HN 0.850 nan 8.240 nan 0.000 0.548 24 E N -0.158 120.046 120.200 0.006 0.000 2.118 24 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 24 E C 1.837 178.441 176.600 0.008 0.000 0.992 24 E CA 1.065 57.469 56.400 0.006 0.000 0.804 24 E CB 0.056 29.760 29.700 0.006 0.000 0.741 24 E HN 0.594 nan 8.360 nan 0.000 0.458 25 E N 0.789 120.993 120.200 0.007 0.000 2.106 25 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 25 E C 1.717 178.323 176.600 0.009 0.000 0.984 25 E CA 0.832 57.236 56.400 0.008 0.000 0.806 25 E CB -0.176 29.529 29.700 0.007 0.000 0.750 25 E HN 0.342 nan 8.360 nan 0.000 0.458 26 D N 0.573 120.978 120.400 0.009 0.000 2.117 26 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 26 D C 2.110 178.418 176.300 0.013 0.000 0.987 26 D CA 0.524 54.530 54.000 0.010 0.000 0.829 26 D CB -0.245 40.561 40.800 0.009 0.000 0.961 26 D HN 0.096 nan 8.370 nan 0.000 0.460 27 L N 1.487 122.717 121.223 0.013 0.000 2.017 27 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 27 L C 2.011 178.892 176.870 0.018 0.000 1.073 27 L CA 1.818 56.667 54.840 0.015 0.000 0.745 27 L CB -0.378 41.688 42.059 0.012 0.000 0.894 27 L HN -0.148 nan 8.230 nan 0.000 0.432 28 K N -0.689 119.720 120.400 0.015 0.000 2.063 28 K HA -0.174 4.145 4.320 -0.000 0.000 0.208 28 K C 2.063 178.674 176.600 0.019 0.000 1.048 28 K CA 1.446 57.743 56.287 0.017 0.000 0.928 28 K CB -0.411 32.097 32.500 0.013 0.000 0.713 28 K HN 0.517 nan 8.250 nan 0.000 0.442 29 A N 0.758 123.588 122.820 0.017 0.000 1.902 29 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 29 A C 2.219 179.816 177.584 0.021 0.000 1.181 29 A CA 2.059 54.106 52.037 0.017 0.000 0.623 29 A CB -0.881 18.127 19.000 0.014 0.000 0.818 29 A HN 0.261 nan 8.150 nan 0.000 0.443 30 T N 0.457 115.025 114.554 0.024 0.000 2.777 30 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 30 T C 1.795 176.519 174.700 0.040 0.000 1.040 30 T CA 1.411 63.529 62.100 0.030 0.000 1.141 30 T CB -0.372 68.514 68.868 0.031 0.000 0.868 30 T HN 0.368 nan 8.240 nan 0.000 0.444 31 L N 0.305 121.552 121.223 0.040 0.000 2.083 31 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 31 L C 2.917 179.816 176.870 0.049 0.000 1.083 31 L CA 1.297 56.168 54.840 0.052 0.000 0.752 31 L CB -0.448 41.637 42.059 0.043 0.000 0.899 31 L HN 0.151 nan 8.230 nan 0.000 0.433 32 R N 0.027 120.548 120.500 0.034 0.000 2.075 32 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 32 R C 2.162 178.476 176.300 0.024 0.000 1.126 32 R CA 1.303 57.419 56.100 0.027 0.000 0.963 32 R CB -0.162 30.150 30.300 0.019 0.000 0.858 32 R HN 0.446 nan 8.270 nan 0.000 0.435 33 E N 0.411 120.626 120.200 0.025 0.000 2.106 33 E HA -0.152 4.197 4.350 -0.000 0.000 0.192 33 E C 1.939 178.552 176.600 0.022 0.000 0.984 33 E CA 0.954 57.366 56.400 0.021 0.000 0.806 33 E CB -0.028 29.686 29.700 0.022 0.000 0.750 33 E HN 0.324 nan 8.360 nan 0.000 0.458 34 I N 0.555 121.149 120.570 0.039 0.000 2.252 34 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 34 I C 2.667 178.794 176.117 0.016 0.000 1.102 34 I CA 0.883 62.212 61.300 0.048 0.000 1.385 34 I CB -0.150 37.919 38.000 0.114 0.000 1.064 34 I HN 0.012 nan 8.210 nan 0.000 0.414 35 R N 0.952 121.471 120.500 0.031 0.000 2.081 35 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 35 R C 2.476 178.766 176.300 -0.017 0.000 1.131 35 R CA 1.370 57.476 56.100 0.011 0.000 0.960 35 R CB -0.055 30.262 30.300 0.028 0.000 0.856 35 R HN 0.266 nan 8.270 nan 0.000 0.436 36 R N -0.358 120.137 120.500 -0.008 0.000 2.092 36 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 36 R C 2.276 178.561 176.300 -0.025 0.000 1.119 36 R CA 1.233 57.325 56.100 -0.014 0.000 0.970 36 R CB -0.269 30.029 30.300 -0.005 0.000 0.864 36 R HN 0.239 nan 8.270 nan 0.000 0.440 37 A N 1.304 124.108 122.820 -0.027 0.000 1.902 37 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 37 A C 2.183 179.730 177.584 -0.062 0.000 1.181 37 A CA 1.105 53.121 52.037 -0.034 0.000 0.623 37 A CB -0.476 18.509 19.000 -0.025 0.000 0.818 37 A HN 0.155 nan 8.150 nan 0.000 0.443 38 L N -1.123 120.039 121.223 -0.101 0.000 2.005 38 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 38 L C 2.915 179.726 176.870 -0.098 0.000 1.072 38 L CA 1.650 56.402 54.840 -0.148 0.000 0.744 38 L CB -0.523 41.390 42.059 -0.243 0.000 0.895 38 L HN 0.406 nan 8.230 nan 0.000 0.433 39 M N -0.687 118.869 119.600 -0.074 0.000 2.202 39 M HA -0.225 4.254 4.480 -0.000 0.000 0.262 39 M C 1.603 177.875 176.300 -0.047 0.000 1.063 39 M CA 1.446 56.713 55.300 -0.055 0.000 1.097 39 M CB -0.597 31.980 32.600 -0.039 0.000 1.382 39 M HN 0.196 nan 8.290 nan 0.000 0.413 40 D N 0.628 121.002 120.400 -0.043 0.000 2.219 40 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 40 D C 1.580 177.853 176.300 -0.045 0.000 0.970 40 D CA 0.998 54.976 54.000 -0.037 0.000 0.851 40 D CB 0.049 40.832 40.800 -0.029 0.000 0.943 40 D HN 0.314 nan 8.370 nan 0.000 0.488 41 A N 0.026 122.814 122.820 -0.053 0.000 2.276 41 A HA 0.067 4.387 4.320 -0.000 0.000 0.212 41 A C 0.388 177.928 177.584 -0.074 0.000 1.230 41 A CA 0.453 52.452 52.037 -0.063 0.000 0.844 41 A CB 0.042 19.010 19.000 -0.052 0.000 0.860 41 A HN 0.059 nan 8.150 nan 0.000 0.486 42 D N -2.308 118.055 120.400 -0.062 0.000 3.082 42 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 42 D C -0.519 175.747 176.300 -0.057 0.000 1.114 42 D CA 0.843 54.809 54.000 -0.058 0.000 0.886 42 D CB -1.777 38.984 40.800 -0.065 0.000 1.096 42 D HN 0.183 nan 8.370 nan 0.000 0.431 43 V N 1.224 121.099 119.914 -0.065 0.000 2.465 43 V HA 0.308 4.427 4.120 -0.000 0.000 0.279 43 V C 1.171 177.227 176.094 -0.064 0.000 1.045 43 V CA -0.477 61.780 62.300 -0.072 0.000 0.938 43 V CB 1.389 33.150 31.823 -0.104 0.000 0.986 43 V HN 0.182 nan 8.190 nan 0.000 0.467 44 N N 2.190 120.853 118.700 -0.060 0.000 2.381 44 N HA 0.038 4.778 4.740 -0.000 0.000 0.241 44 N C 0.986 176.465 175.510 -0.052 0.000 1.279 44 N CA -0.587 52.435 53.050 -0.048 0.000 0.896 44 N CB 0.482 38.945 38.487 -0.040 0.000 1.118 44 N HN 0.653 nan 8.380 nan 0.000 0.438 45 L N 1.762 122.965 121.223 -0.033 0.000 1.989 45 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 45 L C 2.156 179.011 176.870 -0.025 0.000 1.071 45 L CA 1.839 56.664 54.840 -0.023 0.000 0.749 45 L CB -0.737 41.315 42.059 -0.010 0.000 0.890 45 L HN 0.726 nan 8.230 nan 0.000 0.431 46 E N -0.894 119.291 120.200 -0.024 0.000 2.038 46 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 46 E C 2.024 178.575 176.600 -0.081 0.000 1.000 46 E CA 2.126 58.515 56.400 -0.018 0.000 0.803 46 E CB -0.170 29.542 29.700 0.021 0.000 0.750 46 E HN 0.393 nan 8.360 nan 0.000 0.448 47 V N 1.382 121.179 119.914 -0.194 0.000 2.287 47 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 47 V C 2.545 178.579 176.094 -0.099 0.000 1.053 47 V CA 1.966 64.072 62.300 -0.324 0.000 1.027 47 V CB -0.926 30.690 31.823 -0.346 0.000 0.646 47 V HN 0.502 nan 8.190 nan 0.000 0.447 48 A N -0.306 122.475 122.820 -0.066 0.000 1.933 48 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 48 A C 2.382 180.002 177.584 0.059 0.000 1.175 48 A CA 1.777 53.802 52.037 -0.019 0.000 0.628 48 A CB -0.474 18.497 19.000 -0.048 0.000 0.814 48 A HN 0.518 nan 8.150 nan 0.000 0.444 49 R N -0.538 119.982 120.500 0.033 0.000 2.090 49 R HA -0.086 4.254 4.340 -0.000 0.000 0.228 49 R C 1.456 177.798 176.300 0.070 0.000 1.110 49 R CA 1.324 57.453 56.100 0.049 0.000 0.973 49 R CB -0.304 30.014 30.300 0.029 0.000 0.869 49 R HN 0.443 nan 8.270 nan 0.000 0.440 50 D N 0.160 120.600 120.400 0.067 0.000 2.144 50 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 50 D C 1.510 177.868 176.300 0.098 0.000 0.978 50 D CA 0.936 54.983 54.000 0.078 0.000 0.833 50 D CB -0.186 40.670 40.800 0.093 0.000 0.961 50 D HN 0.065 nan 8.370 nan 0.000 0.470 51 F N 1.298 121.236 119.950 -0.020 0.000 2.075 51 F HA -0.215 4.312 4.527 0.000 0.000 0.297 51 F C 2.251 178.049 175.800 -0.004 0.000 1.113 51 F CA 1.102 59.094 58.000 -0.013 0.000 1.218 51 F CB -0.281 38.706 39.000 -0.021 0.000 0.984 51 F HN -0.222 nan 8.300 nan 0.000 0.472 52 V N 0.296 120.377 119.914 0.279 0.000 2.407 52 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 52 V C 2.294 178.413 176.094 0.042 0.000 1.055 52 V CA 2.091 64.490 62.300 0.164 0.000 1.049 52 V CB -0.691 31.216 31.823 0.140 0.000 0.662 52 V HN 0.358 nan 8.190 nan 0.000 0.455 53 E N 0.940 121.158 120.200 0.031 0.000 2.072 53 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 53 E C 2.197 178.777 176.600 -0.034 0.000 0.985 53 E CA 1.482 57.885 56.400 0.004 0.000 0.801 53 E CB -0.312 29.397 29.700 0.015 0.000 0.750 53 E HN 0.421 nan 8.360 nan 0.000 0.452 54 R N -0.024 120.429 120.500 -0.078 0.000 2.081 54 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 54 R C 2.169 178.382 176.300 -0.146 0.000 1.131 54 R CA 1.646 57.671 56.100 -0.126 0.000 0.960 54 R CB -0.892 29.288 30.300 -0.200 0.000 0.856 54 R HN 0.185 nan 8.270 nan 0.000 0.436 55 V N 1.171 120.974 119.914 -0.185 0.000 2.295 55 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 55 V C 2.613 178.672 176.094 -0.057 0.000 1.049 55 V CA 2.242 64.460 62.300 -0.136 0.000 1.024 55 V CB -0.657 31.107 31.823 -0.098 0.000 0.648 55 V HN 0.400 nan 8.190 nan 0.000 0.447 56 R N 0.045 120.526 120.500 -0.032 0.000 2.083 56 R HA -0.210 4.130 4.340 -0.000 0.000 0.237 56 R C 2.320 178.609 176.300 -0.018 0.000 1.137 56 R CA 2.129 58.221 56.100 -0.013 0.000 0.951 56 R CB -0.229 30.070 30.300 -0.001 0.000 0.851 56 R HN 0.641 nan 8.270 nan 0.000 0.434 57 E N 0.104 120.289 120.200 -0.026 0.000 2.038 57 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 57 E C 2.052 178.637 176.600 -0.025 0.000 1.000 57 E CA 1.543 57.928 56.400 -0.024 0.000 0.803 57 E CB -0.052 29.632 29.700 -0.028 0.000 0.750 57 E HN 0.479 nan 8.360 nan 0.000 0.448 58 E N 0.450 120.628 120.200 -0.037 0.000 2.077 58 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 58 E C 2.144 178.732 176.600 -0.020 0.000 0.989 58 E CA 0.868 57.248 56.400 -0.033 0.000 0.800 58 E CB -0.124 29.547 29.700 -0.049 0.000 0.746 58 E HN 0.209 nan 8.360 nan 0.000 0.452 59 A N 1.414 124.223 122.820 -0.019 0.000 1.902 59 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 59 A C 2.231 179.812 177.584 -0.005 0.000 1.181 59 A CA 1.023 53.056 52.037 -0.008 0.000 0.623 59 A CB -0.622 18.377 19.000 -0.003 0.000 0.818 59 A HN 0.124 nan 8.150 nan 0.000 0.443 60 L N -0.822 120.398 121.223 -0.006 0.000 2.093 60 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 60 L C 2.755 179.622 176.870 -0.005 0.000 1.085 60 L CA 0.952 55.789 54.840 -0.004 0.000 0.755 60 L CB -0.697 41.360 42.059 -0.004 0.000 0.904 60 L HN 0.502 nan 8.230 nan 0.000 0.435 61 G N -0.206 108.589 108.800 -0.008 0.000 2.443 61 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 61 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 61 G C 1.422 176.318 174.900 -0.005 0.000 1.131 61 G CA 0.265 45.360 45.100 -0.007 0.000 0.775 61 G HN 0.294 nan 8.290 nan 0.000 0.547 62 K N 0.635 121.032 120.400 -0.005 0.000 2.500 62 K HA 0.098 4.417 4.320 -0.000 0.000 0.206 62 K C 0.171 176.770 176.600 -0.002 0.000 1.034 62 K CA -0.221 56.065 56.287 -0.003 0.000 1.179 62 K CB 0.365 32.864 32.500 -0.002 0.000 0.884 62 K HN 0.102 nan 8.250 nan 0.000 0.493 63 Q N 0.127 119.925 119.800 -0.002 0.000 2.439 63 Q HA -0.193 4.147 4.340 -0.000 0.000 0.325 63 Q C 0.937 176.937 176.000 -0.000 0.000 1.372 63 Q CA 0.496 56.298 55.803 -0.001 0.000 0.909 63 Q CB -2.418 26.319 28.738 -0.001 0.000 1.167 63 Q HN 0.292 nan 8.270 nan 0.000 0.418 64 V N -0.138 119.777 119.914 0.001 0.000 2.490 64 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 64 V C 1.881 177.977 176.094 0.003 0.000 1.061 64 V CA 2.052 64.354 62.300 0.003 0.000 1.064 64 V CB -0.098 31.728 31.823 0.004 0.000 0.670 64 V HN 0.619 nan 8.190 nan 0.000 0.461 65 L N -0.312 120.912 121.223 0.003 0.000 2.478 65 L HA 0.042 4.382 4.340 -0.000 0.000 0.223 65 L C 2.302 179.173 176.870 0.002 0.000 1.140 65 L CA 0.824 55.666 54.840 0.003 0.000 0.842 65 L CB -0.366 41.694 42.059 0.003 0.000 0.953 65 L HN 0.367 nan 8.230 nan 0.000 0.452 66 E N -0.762 119.439 120.200 0.001 0.000 2.431 66 E HA 0.058 4.407 4.350 -0.000 0.000 0.200 66 E C 0.936 177.536 176.600 0.000 0.000 0.995 66 E CA 0.052 56.452 56.400 0.001 0.000 0.915 66 E CB 0.440 30.140 29.700 -0.000 0.000 0.930 66 E HN 0.165 nan 8.360 nan 0.000 0.496 67 S N 0.738 116.438 115.700 0.000 0.000 2.572 67 S HA 0.101 4.571 4.470 -0.000 0.000 0.279 67 S C 1.209 175.809 174.600 0.000 0.000 1.341 67 S CA -0.326 57.874 58.200 -0.000 0.000 1.043 67 S CB 0.532 63.733 63.200 0.000 0.000 0.887 67 S HN 0.140 nan 8.310 nan 0.000 0.516 68 L N 2.971 124.193 121.223 -0.001 0.000 2.418 68 L HA 0.109 4.449 4.340 -0.000 0.000 0.218 68 L C 1.018 177.887 176.870 -0.001 0.000 1.125 68 L CA 0.689 55.528 54.840 -0.001 0.000 0.835 68 L CB -0.242 41.816 42.059 -0.002 0.000 0.953 68 L HN 0.868 nan 8.230 nan 0.000 0.454 69 T N -4.335 110.219 114.554 -0.001 0.000 3.504 69 T HA 0.261 4.611 4.350 -0.000 0.000 0.286 69 T C -1.884 172.816 174.700 0.001 0.000 1.530 69 T CA -1.440 60.660 62.100 -0.001 0.000 1.652 69 T CB 0.738 69.604 68.868 -0.003 0.000 0.895 69 T HN -0.136 nan 8.240 nan 0.000 0.674 70 P HA -0.096 nan 4.420 nan 0.000 0.219 70 P C 1.695 179.000 177.300 0.009 0.000 1.146 70 P CA 1.066 64.170 63.100 0.006 0.000 0.808 70 P CB -0.004 31.700 31.700 0.007 0.000 0.779 71 A N 0.583 123.409 122.820 0.009 0.000 1.933 71 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 71 A C 2.214 179.804 177.584 0.011 0.000 1.175 71 A CA 1.416 53.460 52.037 0.012 0.000 0.628 71 A CB -0.862 18.144 19.000 0.010 0.000 0.814 71 A HN 0.073 nan 8.150 nan 0.000 0.444 72 E N -0.151 120.051 120.200 0.004 0.000 2.152 72 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 72 E C 2.143 178.745 176.600 0.002 0.000 0.983 72 E CA 1.142 57.541 56.400 -0.002 0.000 0.818 72 E CB -0.524 29.171 29.700 -0.009 0.000 0.758 72 E HN 0.421 nan 8.360 nan 0.000 0.467 73 V N 1.538 121.456 119.914 0.006 0.000 2.453 73 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 73 V C 2.268 178.373 176.094 0.018 0.000 1.048 73 V CA 0.943 63.248 62.300 0.008 0.000 1.049 73 V CB -0.271 31.555 31.823 0.006 0.000 0.672 73 V HN 0.187 nan 8.190 nan 0.000 0.457 74 I N -0.168 120.416 120.570 0.022 0.000 2.315 74 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 74 I C 2.365 178.512 176.117 0.051 0.000 1.117 74 I CA 1.483 62.803 61.300 0.034 0.000 1.404 74 I CB -1.059 36.963 38.000 0.036 0.000 1.071 74 I HN 0.335 nan 8.210 nan 0.000 0.419 75 L N 1.627 122.877 121.223 0.045 0.000 1.994 75 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 75 L C 2.587 179.508 176.870 0.085 0.000 1.071 75 L CA 2.349 57.224 54.840 0.059 0.000 0.745 75 L CB -0.829 41.245 42.059 0.025 0.000 0.892 75 L HN 0.159 nan 8.230 nan 0.000 0.431 76 A N -0.944 121.908 122.820 0.054 0.000 1.908 76 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 76 A C 2.348 180.010 177.584 0.130 0.000 1.181 76 A CA 2.543 54.627 52.037 0.079 0.000 0.627 76 A CB -1.441 17.577 19.000 0.029 0.000 0.818 76 A HN 0.671 nan 8.150 nan 0.000 0.445 77 T N -2.809 111.784 114.554 0.066 0.000 2.857 77 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 77 T C 1.670 176.366 174.700 -0.008 0.000 1.048 77 T CA 1.337 63.448 62.100 0.017 0.000 1.139 77 T CB -0.648 68.214 68.868 -0.011 0.000 0.874 77 T HN 0.064 nan 8.240 nan 0.000 0.455 78 V N 0.799 120.748 119.914 0.059 0.000 2.427 78 V HA -0.071 4.049 4.120 -0.000 0.000 0.248 78 V C 2.254 178.432 176.094 0.140 0.000 1.051 78 V CA 1.479 63.844 62.300 0.109 0.000 1.048 78 V CB -0.968 30.973 31.823 0.197 0.000 0.666 78 V HN 0.586 nan 8.190 nan 0.000 0.456 79 Y N 1.689 122.008 120.300 0.030 0.000 2.145 79 Y HA -0.253 4.297 4.550 -0.000 0.000 0.286 79 Y C 2.519 178.418 175.900 -0.002 0.000 1.145 79 Y CA 2.312 60.426 58.100 0.022 0.000 1.148 79 Y CB -0.198 38.263 38.460 0.002 0.000 0.981 79 Y HN 0.296 nan 8.280 nan 0.000 0.507 80 E N 0.682 120.811 120.200 -0.119 0.000 2.077 80 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 80 E C 2.273 178.727 176.600 -0.243 0.000 0.989 80 E CA 1.597 57.861 56.400 -0.226 0.000 0.800 80 E CB -0.657 29.007 29.700 -0.059 0.000 0.746 80 E HN 0.534 nan 8.360 nan 0.000 0.452 81 A N 0.299 122.962 122.820 -0.261 0.000 1.898 81 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 81 A C 2.351 179.845 177.584 -0.150 0.000 1.181 81 A CA 1.288 53.071 52.037 -0.424 0.000 0.620 81 A CB -0.703 17.655 19.000 -1.069 0.000 0.819 81 A HN 0.334 nan 8.150 nan 0.000 0.442 82 L N -0.528 120.729 121.223 0.057 0.000 2.017 82 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 82 L C 2.671 179.539 176.870 -0.003 0.000 1.073 82 L CA 2.046 57.013 54.840 0.212 0.000 0.745 82 L CB -0.371 41.773 42.059 0.141 0.000 0.894 82 L HN 0.548 nan 8.230 nan 0.000 0.432 83 K N 0.366 120.645 120.400 -0.202 0.000 2.032 83 K HA -0.272 4.048 4.320 -0.000 0.000 0.209 83 K C 2.018 178.546 176.600 -0.121 0.000 1.048 83 K CA 1.885 58.027 56.287 -0.240 0.000 0.927 83 K CB -0.121 32.113 32.500 -0.443 0.000 0.712 83 K HN 0.249 nan 8.250 nan 0.000 0.441 84 E N -0.195 119.940 120.200 -0.108 0.000 2.051 84 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 84 E C 1.827 178.437 176.600 0.016 0.000 0.991 84 E CA 1.133 57.501 56.400 -0.053 0.000 0.799 84 E CB -0.177 29.480 29.700 -0.072 0.000 0.748 84 E HN 0.494 nan 8.360 nan 0.000 0.449 85 A N 0.574 123.435 122.820 0.069 0.000 2.019 85 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 85 A C 2.009 179.665 177.584 0.120 0.000 1.164 85 A CA 0.889 53.008 52.037 0.137 0.000 0.644 85 A CB -0.364 18.785 19.000 0.248 0.000 0.805 85 A HN 0.285 nan 8.150 nan 0.000 0.449 86 L N -1.762 119.523 121.223 0.102 0.000 2.591 86 L HA 0.232 4.572 4.340 -0.000 0.000 0.228 86 L C 1.642 178.620 176.870 0.180 0.000 1.133 86 L CA 0.619 55.559 54.840 0.168 0.000 0.880 86 L CB 0.155 42.315 42.059 0.168 0.000 1.033 86 L HN 0.575 nan 8.230 nan 0.000 0.450 87 G N -1.883 106.965 108.800 0.080 0.000 2.296 87 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.188 87 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.188 87 G C 0.790 175.691 174.900 0.001 0.000 1.000 87 G CA -0.361 44.770 45.100 0.051 0.000 0.672 87 G HN 0.532 nan 8.290 nan 0.000 0.483 88 G N 0.422 109.204 108.800 -0.031 0.000 2.687 88 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.303 88 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.303 88 G C 0.186 175.052 174.900 -0.057 0.000 1.209 88 G CA 1.074 46.142 45.100 -0.054 0.000 0.968 88 G HN 1.290 nan 8.290 nan 0.000 0.549 89 E N 1.849 122.031 120.200 -0.030 0.000 2.338 89 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 89 E C 0.851 177.442 176.600 -0.014 0.000 1.029 89 E CA -0.038 56.353 56.400 -0.015 0.000 0.872 89 E CB 0.762 30.462 29.700 0.001 0.000 1.015 89 E HN 0.937 nan 8.360 nan 0.000 0.417 90 A N 4.933 127.752 122.820 -0.002 0.000 2.498 90 A HA 0.191 4.511 4.320 -0.000 0.000 0.239 90 A C -0.163 177.419 177.584 -0.003 0.000 1.068 90 A CA 0.328 52.349 52.037 -0.027 0.000 0.766 90 A CB 0.365 19.406 19.000 0.069 0.000 1.003 90 A HN 0.664 nan 8.150 nan 0.000 0.497 91 R N 1.014 121.512 120.500 -0.004 0.000 2.795 91 R HA 0.770 5.110 4.340 -0.000 0.000 0.275 91 R C -1.436 174.910 176.300 0.077 0.000 0.981 91 R CA -0.689 55.455 56.100 0.074 0.000 0.917 91 R CB 1.886 32.278 30.300 0.152 0.000 1.202 91 R HN 0.664 nan 8.270 nan 0.000 0.469 92 L N 1.635 122.851 121.223 -0.012 0.000 2.424 92 L HA 0.517 4.857 4.340 -0.000 0.000 0.258 92 L C -2.396 174.181 176.870 -0.488 0.000 0.995 92 L CA -2.404 52.269 54.840 -0.279 0.000 0.821 92 L CB 2.768 44.746 42.059 -0.135 0.000 1.383 92 L HN 0.330 nan 8.230 nan 0.000 0.410 93 P HA 0.024 nan 4.420 nan 0.000 0.267 93 P C -0.684 176.514 177.300 -0.170 0.000 1.200 93 P CA -0.246 62.388 63.100 -0.776 0.000 0.772 93 P CB 0.460 31.476 31.700 -1.140 0.000 0.855 94 V N 4.462 124.326 119.914 -0.084 0.000 2.470 94 V HA 0.057 4.177 4.120 -0.000 0.000 0.276 94 V C 0.601 176.805 176.094 0.184 0.000 1.040 94 V CA 0.055 62.391 62.300 0.061 0.000 1.008 94 V CB -0.040 31.810 31.823 0.045 0.000 0.990 94 V HN 0.359 nan 8.190 nan 0.000 0.477 95 L N 7.508 128.842 121.223 0.184 0.000 2.264 95 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 95 L C 0.431 177.359 176.870 0.097 0.000 1.044 95 L CA -0.231 54.710 54.840 0.168 0.000 0.807 95 L CB 0.908 43.057 42.059 0.150 0.000 1.192 95 L HN 0.752 nan 8.230 nan 0.000 0.425 96 K N 0.919 121.362 120.400 0.072 0.000 2.082 96 K HA 0.380 4.700 4.320 -0.000 0.000 0.246 96 K C 0.115 176.722 176.600 0.012 0.000 1.061 96 K CA -0.891 55.422 56.287 0.044 0.000 0.952 96 K CB 0.533 33.063 32.500 0.051 0.000 1.513 96 K HN 0.167 nan 8.250 nan 0.000 0.631 97 D N 0.548 120.953 120.400 0.008 0.000 2.120 97 D HA -0.143 4.497 4.640 -0.000 0.000 0.191 97 D C -0.035 176.249 176.300 -0.026 0.000 0.994 97 D CA 1.701 55.697 54.000 -0.006 0.000 0.838 97 D CB 0.158 40.957 40.800 -0.001 0.000 0.976 97 D HN 0.432 nan 8.370 nan 0.000 0.447 98 R N -0.448 120.038 120.500 -0.023 0.000 2.514 98 R HA 0.659 4.999 4.340 -0.000 0.000 0.301 98 R C -1.423 174.846 176.300 -0.051 0.000 0.962 98 R CA -0.793 55.280 56.100 -0.045 0.000 0.882 98 R CB 1.151 31.435 30.300 -0.028 0.000 1.143 98 R HN -0.102 nan 8.270 nan 0.000 0.452 99 N N 2.127 120.745 118.700 -0.137 0.000 2.410 99 N HA 0.346 5.086 4.740 -0.000 0.000 0.287 99 N C -1.778 173.554 175.510 -0.295 0.000 1.044 99 N CA -0.682 52.240 53.050 -0.213 0.000 0.881 99 N CB 2.291 40.491 38.487 -0.478 0.000 1.405 99 N HN 0.513 nan 8.380 nan 0.000 0.490 100 L N 2.561 123.745 121.223 -0.064 0.000 2.342 100 L HA 0.627 4.967 4.340 -0.000 0.000 0.276 100 L C -1.520 175.546 176.870 0.328 0.000 0.997 100 L CA -0.585 54.277 54.840 0.038 0.000 0.838 100 L CB 0.623 42.735 42.059 0.089 0.000 1.224 100 L HN 0.505 nan 8.230 nan 0.000 0.416 101 W N 3.864 125.219 121.300 0.091 0.000 2.666 101 W HA 0.454 5.114 4.660 -0.000 0.000 0.334 101 W C -0.569 176.141 176.519 0.317 0.000 1.051 101 W CA -1.263 56.160 57.345 0.130 0.000 1.224 101 W CB 1.247 30.736 29.460 0.048 0.000 1.405 101 W HN 0.150 nan 8.180 nan 0.000 0.513 102 F N 2.221 122.302 119.950 0.219 0.000 2.397 102 F HA 0.535 5.062 4.527 -0.000 0.000 0.331 102 F C -0.113 175.743 175.800 0.093 0.000 1.090 102 F CA -1.767 56.306 58.000 0.123 0.000 1.065 102 F CB 0.988 40.041 39.000 0.088 0.000 1.184 102 F HN -0.137 nan 8.300 nan 0.000 0.499 103 L N 4.082 125.402 121.223 0.162 0.000 2.342 103 L HA 0.577 4.917 4.340 -0.000 0.000 0.276 103 L C -0.562 176.304 176.870 -0.007 0.000 0.997 103 L CA -0.580 54.301 54.840 0.068 0.000 0.838 103 L CB 1.449 43.533 42.059 0.041 0.000 1.224 103 L HN 0.430 nan 8.230 nan 0.000 0.416 104 V N 0.262 120.136 119.914 -0.066 0.000 3.103 104 V HA 1.133 5.253 4.120 -0.000 0.000 0.318 104 V C 0.156 175.981 176.094 -0.449 0.000 1.114 104 V CA -0.208 61.975 62.300 -0.194 0.000 1.020 104 V CB 1.565 33.283 31.823 -0.174 0.000 1.085 104 V HN 0.835 nan 8.190 nan 0.000 0.446 105 G N 0.450 108.895 108.800 -0.591 0.000 2.368 105 G HA2 0.284 4.244 3.960 -0.000 0.000 0.302 105 G HA3 0.284 4.244 3.960 -0.000 0.000 0.302 105 G C -1.523 173.362 174.900 -0.026 0.000 1.329 105 G CA -0.694 44.103 45.100 -0.505 0.000 0.935 105 G HN 0.972 nan 8.290 nan 0.000 0.590 106 L N 0.354 121.611 121.223 0.058 0.000 2.439 106 L HA 0.527 4.867 4.340 -0.000 0.000 0.259 106 L C 1.161 178.058 176.870 0.045 0.000 1.129 106 L CA -0.774 54.134 54.840 0.113 0.000 0.803 106 L CB 1.241 43.372 42.059 0.121 0.000 1.161 106 L HN 0.794 nan 8.230 nan 0.000 0.462 107 Q N 0.431 120.258 119.800 0.045 0.000 2.364 107 Q HA 0.194 4.534 4.340 -0.000 0.000 0.267 107 Q C 0.883 176.891 176.000 0.013 0.000 0.999 107 Q CA 0.839 56.655 55.803 0.023 0.000 0.886 107 Q CB 0.658 29.409 28.738 0.022 0.000 1.243 107 Q HN 0.841 nan 8.270 nan 0.000 0.415 108 G N 1.939 110.741 108.800 0.004 0.000 2.179 108 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 108 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 108 G C 0.664 175.561 174.900 -0.005 0.000 0.977 108 G CA 0.754 45.854 45.100 0.000 0.000 0.641 108 G HN 0.912 nan 8.290 nan 0.000 0.533 109 S N -0.426 115.268 115.700 -0.009 0.000 2.527 109 S HA 0.401 4.871 4.470 -0.000 0.000 0.222 109 S C 2.180 176.765 174.600 -0.024 0.000 0.985 109 S CA 1.417 59.604 58.200 -0.021 0.000 0.921 109 S CB 0.167 63.346 63.200 -0.035 0.000 0.772 109 S HN 2.379 nan 8.310 nan 0.000 0.529 110 G N 1.722 110.511 108.800 -0.019 0.000 2.131 110 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.223 110 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.223 110 G C 0.598 175.485 174.900 -0.022 0.000 0.990 110 G CA 0.487 45.578 45.100 -0.017 0.000 0.671 110 G HN 0.603 nan 8.290 nan 0.000 0.521 111 K N -0.194 120.189 120.400 -0.028 0.000 2.009 111 K HA -0.104 4.216 4.320 -0.000 0.000 0.210 111 K C 2.458 179.045 176.600 -0.023 0.000 1.049 111 K CA 2.205 58.472 56.287 -0.033 0.000 0.929 111 K CB -0.384 32.090 32.500 -0.044 0.000 0.714 111 K HN 0.293 nan 8.250 nan 0.000 0.440 112 T N 0.417 114.960 114.554 -0.018 0.000 2.737 112 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 112 T C 1.873 176.567 174.700 -0.011 0.000 1.038 112 T CA 1.998 64.089 62.100 -0.014 0.000 1.144 112 T CB -0.511 68.349 68.868 -0.012 0.000 0.866 112 T HN 0.626 nan 8.240 nan 0.000 0.434 113 T N 0.201 114.749 114.554 -0.010 0.000 2.867 113 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 113 T C 2.072 176.766 174.700 -0.010 0.000 1.057 113 T CA 1.548 63.644 62.100 -0.007 0.000 1.136 113 T CB -0.942 67.924 68.868 -0.004 0.000 0.874 113 T HN 0.260 nan 8.240 nan 0.000 0.466 114 T N 1.831 116.375 114.554 -0.017 0.000 2.867 114 T HA 0.195 4.545 4.350 -0.000 0.000 0.268 114 T C 2.443 177.125 174.700 -0.030 0.000 1.057 114 T CA 0.977 63.059 62.100 -0.031 0.000 1.136 114 T CB -0.663 68.185 68.868 -0.034 0.000 0.874 114 T HN 0.600 nan 8.240 nan 0.000 0.466 115 A N 1.443 124.256 122.820 -0.012 0.000 1.902 115 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 115 A C 2.603 180.191 177.584 0.006 0.000 1.181 115 A CA 1.802 53.840 52.037 0.003 0.000 0.623 115 A CB -1.008 17.993 19.000 0.001 0.000 0.818 115 A HN 0.500 nan 8.150 nan 0.000 0.443 116 A N -0.424 122.397 122.820 0.002 0.000 1.929 116 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 116 A C 2.099 179.693 177.584 0.017 0.000 1.176 116 A CA 1.609 53.652 52.037 0.009 0.000 0.628 116 A CB -0.355 18.648 19.000 0.005 0.000 0.816 116 A HN 0.524 nan 8.150 nan 0.000 0.444 117 K N -0.426 119.977 120.400 0.005 0.000 2.057 117 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 117 K C 1.862 178.469 176.600 0.011 0.000 1.049 117 K CA 1.124 57.415 56.287 0.006 0.000 0.931 117 K CB -0.314 32.176 32.500 -0.017 0.000 0.714 117 K HN 0.432 nan 8.250 nan 0.000 0.440 118 L N 0.450 121.660 121.223 -0.023 0.000 2.056 118 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 118 L C 2.511 179.506 176.870 0.209 0.000 1.078 118 L CA 0.993 55.840 54.840 0.012 0.000 0.749 118 L CB -0.435 41.620 42.059 -0.007 0.000 0.901 118 L HN 0.218 nan 8.230 nan 0.000 0.433 119 A N -0.250 122.643 122.820 0.121 0.000 1.902 119 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 119 A C 2.130 179.779 177.584 0.109 0.000 1.181 119 A CA 1.717 53.817 52.037 0.106 0.000 0.623 119 A CB -0.696 18.327 19.000 0.039 0.000 0.818 119 A HN 0.350 nan 8.150 nan 0.000 0.443 120 L N -1.529 119.745 121.223 0.085 0.000 2.017 120 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 120 L C 2.295 179.208 176.870 0.071 0.000 1.073 120 L CA 2.437 57.316 54.840 0.065 0.000 0.745 120 L CB -1.084 41.008 42.059 0.055 0.000 0.894 120 L HN 0.535 nan 8.230 nan 0.000 0.432 121 Y N -0.903 119.379 120.300 -0.030 0.000 2.097 121 Y HA -0.340 4.210 4.550 -0.000 0.000 0.282 121 Y C 2.282 178.105 175.900 -0.129 0.000 1.152 121 Y CA 2.208 60.249 58.100 -0.099 0.000 1.136 121 Y CB -0.660 37.687 38.460 -0.189 0.000 0.975 121 Y HN 0.277 nan 8.280 nan 0.000 0.498 122 Y N 0.545 120.858 120.300 0.022 0.000 2.373 122 Y HA -0.115 4.435 4.550 -0.000 0.000 0.293 122 Y C 2.591 178.426 175.900 -0.108 0.000 1.129 122 Y CA 1.632 59.690 58.100 -0.070 0.000 1.226 122 Y CB -0.388 38.091 38.460 0.031 0.000 1.000 122 Y HN 0.113 nan 8.280 nan 0.000 0.549 123 K N -0.065 120.367 120.400 0.053 0.000 2.057 123 K HA -0.112 4.207 4.320 -0.000 0.000 0.206 123 K C 2.319 178.895 176.600 -0.040 0.000 1.050 123 K CA 1.243 57.535 56.287 0.008 0.000 0.935 123 K CB -0.561 31.944 32.500 0.009 0.000 0.715 123 K HN 0.384 nan 8.250 nan 0.000 0.439 124 G N 0.958 109.706 108.800 -0.087 0.000 2.471 124 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 124 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 124 G C 1.230 176.042 174.900 -0.147 0.000 1.125 124 G CA 0.351 45.385 45.100 -0.111 0.000 0.775 124 G HN 0.152 nan 8.290 nan 0.000 0.548 125 K N 0.333 120.613 120.400 -0.200 0.000 2.458 125 K HA 0.173 4.492 4.320 -0.000 0.000 0.194 125 K C 1.565 178.135 176.600 -0.051 0.000 1.024 125 K CA 0.471 56.658 56.287 -0.167 0.000 1.108 125 K CB 0.191 32.543 32.500 -0.246 0.000 0.846 125 K HN 0.358 nan 8.250 nan 0.000 0.518 126 G N 1.744 110.522 108.800 -0.036 0.000 2.157 126 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.239 126 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.239 126 G C 0.072 174.971 174.900 -0.001 0.000 0.982 126 G CA -0.239 44.853 45.100 -0.014 0.000 0.650 126 G HN 0.135 nan 8.290 nan 0.000 0.527 127 R N -0.056 120.453 120.500 0.015 0.000 2.546 127 R HA 0.618 4.957 4.340 -0.000 0.000 0.266 127 R C 0.520 176.810 176.300 -0.017 0.000 1.086 127 R CA -0.594 55.508 56.100 0.003 0.000 1.160 127 R CB 0.296 30.612 30.300 0.026 0.000 1.138 127 R HN 0.318 nan 8.270 nan 0.000 0.567 128 R N 1.866 122.340 120.500 -0.045 0.000 2.477 128 R HA 0.286 4.626 4.340 -0.000 0.000 0.285 128 R C -2.209 174.049 176.300 -0.070 0.000 1.415 128 R CA -1.606 54.467 56.100 -0.045 0.000 1.446 128 R CB 1.418 31.693 30.300 -0.042 0.000 1.110 128 R HN 0.395 nan 8.270 nan 0.000 0.590 129 P HA 0.166 nan 4.420 nan 0.000 0.276 129 P C -0.846 176.414 177.300 -0.068 0.000 1.244 129 P CA -0.612 62.434 63.100 -0.091 0.000 0.801 129 P CB 1.167 32.828 31.700 -0.065 0.000 1.006 130 L N 2.083 123.258 121.223 -0.080 0.000 2.439 130 L HA 0.425 4.765 4.340 -0.000 0.000 0.270 130 L C -1.271 175.569 176.870 -0.050 0.000 0.972 130 L CA -0.618 54.189 54.840 -0.055 0.000 0.836 130 L CB 1.143 43.170 42.059 -0.054 0.000 1.255 130 L HN 0.177 nan 8.230 nan 0.000 0.404 131 L N 5.520 126.723 121.223 -0.034 0.000 2.326 131 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 131 L C -0.638 176.215 176.870 -0.029 0.000 1.092 131 L CA -0.713 54.110 54.840 -0.028 0.000 0.810 131 L CB 1.647 43.695 42.059 -0.019 0.000 1.153 131 L HN 0.388 nan 8.230 nan 0.000 0.439 132 V N 2.986 122.880 119.914 -0.033 0.000 2.376 132 V HA 0.411 4.531 4.120 -0.000 0.000 0.287 132 V C 0.260 176.324 176.094 -0.050 0.000 1.015 132 V CA -0.683 61.593 62.300 -0.039 0.000 0.834 132 V CB 1.568 33.365 31.823 -0.043 0.000 1.001 132 V HN 0.829 nan 8.190 nan 0.000 0.428 133 A N 3.905 126.700 122.820 -0.041 0.000 2.527 133 A HA 0.652 4.972 4.320 -0.000 0.000 0.313 133 A C 1.099 178.653 177.584 -0.050 0.000 1.410 133 A CA 0.272 52.284 52.037 -0.042 0.000 1.060 133 A CB 0.345 19.328 19.000 -0.028 0.000 1.137 133 A HN 1.253 nan 8.150 nan 0.000 0.542 134 A N 2.291 125.067 122.820 -0.074 0.000 2.337 134 A HA 0.188 4.508 4.320 -0.000 0.000 0.227 134 A C 0.596 178.143 177.584 -0.061 0.000 1.259 134 A CA -0.046 51.942 52.037 -0.083 0.000 0.870 134 A CB -0.154 18.756 19.000 -0.150 0.000 0.927 134 A HN 0.673 nan 8.150 nan 0.000 0.497 135 D N 1.359 121.733 120.400 -0.043 0.000 2.344 135 D HA 0.081 4.721 4.640 -0.000 0.000 0.253 135 D C 1.235 177.523 176.300 -0.020 0.000 1.255 135 D CA 0.766 54.750 54.000 -0.027 0.000 0.894 135 D CB 0.870 41.658 40.800 -0.019 0.000 1.067 135 D HN 0.291 nan 8.370 nan 0.000 0.492 136 T N 0.595 115.139 114.554 -0.017 0.000 3.194 136 T HA 0.032 4.381 4.350 -0.000 0.000 0.251 136 T C 1.061 175.757 174.700 -0.007 0.000 1.132 136 T CA 0.483 62.576 62.100 -0.011 0.000 1.028 136 T CB 0.139 69.002 68.868 -0.008 0.000 0.976 136 T HN 0.377 nan 8.240 nan 0.000 0.535 137 Q N 0.235 120.032 119.800 -0.006 0.000 2.342 137 Q HA 0.293 4.633 4.340 -0.000 0.000 0.261 137 Q C 0.330 176.328 176.000 -0.003 0.000 0.841 137 Q CA -0.067 55.734 55.803 -0.003 0.000 0.969 137 Q CB 0.921 29.658 28.738 -0.001 0.000 1.136 137 Q HN 0.351 nan 8.270 nan 0.000 0.528 138 R N 1.373 121.870 120.500 -0.004 0.000 2.310 138 R HA 0.264 4.604 4.340 -0.000 0.000 0.316 138 R C -2.379 173.918 176.300 -0.006 0.000 1.004 138 R CA -1.733 54.365 56.100 -0.004 0.000 0.900 138 R CB 1.101 31.399 30.300 -0.002 0.000 1.152 138 R HN -0.070 nan 8.270 nan 0.000 0.513 139 P HA -0.189 nan 4.420 nan 0.000 0.216 139 P C 1.204 178.500 177.300 -0.006 0.000 1.150 139 P CA 1.246 64.342 63.100 -0.006 0.000 0.837 139 P CB 0.306 32.004 31.700 -0.005 0.000 0.786 140 A N 0.107 122.924 122.820 -0.004 0.000 1.933 140 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 140 A C 2.326 179.907 177.584 -0.005 0.000 1.175 140 A CA 2.067 54.101 52.037 -0.004 0.000 0.628 140 A CB -1.549 17.449 19.000 -0.003 0.000 0.814 140 A HN 0.211 nan 8.150 nan 0.000 0.444 141 A N -0.235 122.582 122.820 -0.006 0.000 1.930 141 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 141 A C 2.248 179.826 177.584 -0.011 0.000 1.175 141 A CA 1.393 53.425 52.037 -0.007 0.000 0.627 141 A CB -0.402 18.594 19.000 -0.008 0.000 0.815 141 A HN 0.559 nan 8.150 nan 0.000 0.443 142 R N -0.464 120.029 120.500 -0.012 0.000 2.090 142 R HA -0.074 4.265 4.340 -0.000 0.000 0.228 142 R C 2.013 178.306 176.300 -0.011 0.000 1.110 142 R CA 1.418 57.510 56.100 -0.014 0.000 0.973 142 R CB -0.277 30.015 30.300 -0.014 0.000 0.869 142 R HN 0.646 nan 8.270 nan 0.000 0.440 143 E N 0.763 120.958 120.200 -0.008 0.000 2.150 143 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 143 E C 2.058 178.655 176.600 -0.006 0.000 0.985 143 E CA 0.799 57.195 56.400 -0.007 0.000 0.814 143 E CB 0.046 29.743 29.700 -0.005 0.000 0.752 143 E HN 0.312 nan 8.360 nan 0.000 0.466 144 Q N 0.622 120.418 119.800 -0.006 0.000 2.096 144 Q HA -0.211 4.128 4.340 -0.000 0.000 0.204 144 Q C 2.226 178.223 176.000 -0.006 0.000 0.982 144 Q CA 1.134 56.934 55.803 -0.005 0.000 0.850 144 Q CB -0.030 28.705 28.738 -0.005 0.000 0.901 144 Q HN 0.239 nan 8.270 nan 0.000 0.422 145 L N 1.049 122.267 121.223 -0.009 0.000 2.141 145 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 145 L C 2.490 179.355 176.870 -0.008 0.000 1.094 145 L CA 1.614 56.448 54.840 -0.010 0.000 0.763 145 L CB -0.568 41.482 42.059 -0.014 0.000 0.908 145 L HN 0.170 nan 8.230 nan 0.000 0.437 146 R N -0.522 119.973 120.500 -0.009 0.000 2.073 146 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 146 R C 2.168 178.465 176.300 -0.005 0.000 1.134 146 R CA 1.879 57.974 56.100 -0.008 0.000 0.952 146 R CB -0.375 29.921 30.300 -0.007 0.000 0.850 146 R HN 0.441 nan 8.270 nan 0.000 0.433 147 L N 0.663 121.883 121.223 -0.004 0.000 2.093 147 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 147 L C 2.519 179.388 176.870 -0.001 0.000 1.085 147 L CA 0.915 55.754 54.840 -0.002 0.000 0.755 147 L CB -0.373 41.685 42.059 -0.002 0.000 0.904 147 L HN 0.271 nan 8.230 nan 0.000 0.435 148 L N -0.336 120.886 121.223 -0.001 0.000 2.056 148 L HA -0.099 4.240 4.340 -0.000 0.000 0.207 148 L C 2.672 179.543 176.870 0.001 0.000 1.078 148 L CA 1.315 56.156 54.840 0.001 0.000 0.749 148 L CB -0.974 41.085 42.059 -0.000 0.000 0.901 148 L HN 0.289 nan 8.230 nan 0.000 0.433 149 G N -0.770 108.029 108.800 -0.001 0.000 2.432 149 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 149 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 149 G C 1.466 176.366 174.900 -0.001 0.000 1.135 149 G CA 0.694 45.793 45.100 -0.002 0.000 0.767 149 G HN 0.423 nan 8.290 nan 0.000 0.550 150 E N 0.336 120.535 120.200 -0.001 0.000 2.072 150 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 150 E C 2.321 178.922 176.600 0.001 0.000 0.985 150 E CA 0.778 57.177 56.400 -0.001 0.000 0.801 150 E CB -0.048 29.652 29.700 -0.001 0.000 0.750 150 E HN 0.304 nan 8.360 nan 0.000 0.452 151 K N 0.191 120.592 120.400 0.003 0.000 2.097 151 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 151 K C 2.104 178.708 176.600 0.007 0.000 1.050 151 K CA 1.449 57.739 56.287 0.005 0.000 0.938 151 K CB 0.080 32.584 32.500 0.006 0.000 0.718 151 K HN 0.231 nan 8.250 nan 0.000 0.442 152 V N -2.693 117.225 119.914 0.007 0.000 3.649 152 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 152 V C 0.893 176.991 176.094 0.007 0.000 1.281 152 V CA 0.418 62.724 62.300 0.010 0.000 1.143 152 V CB -0.400 31.431 31.823 0.015 0.000 0.892 152 V HN 0.363 nan 8.190 nan 0.000 0.441 153 G N 0.288 109.090 108.800 0.003 0.000 2.272 153 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.280 153 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.280 153 G C -0.180 174.719 174.900 -0.001 0.000 1.067 153 G CA 0.281 45.382 45.100 0.001 0.000 0.902 153 G HN 0.938 nan 8.290 nan 0.000 0.500 154 V N 1.454 121.367 119.914 -0.002 0.000 2.588 154 V HA 0.587 4.707 4.120 -0.000 0.000 0.304 154 V C -1.645 174.444 176.094 -0.009 0.000 1.042 154 V CA -1.692 60.605 62.300 -0.005 0.000 0.877 154 V CB 2.363 34.185 31.823 -0.002 0.000 0.996 154 V HN 0.232 nan 8.190 nan 0.000 0.425 155 P HA 0.172 nan 4.420 nan 0.000 0.268 155 P C -0.956 176.334 177.300 -0.016 0.000 1.205 155 P CA 0.132 63.224 63.100 -0.015 0.000 0.771 155 P CB 1.074 32.764 31.700 -0.017 0.000 0.858 156 V N 4.393 124.298 119.914 -0.015 0.000 2.531 156 V HA 0.332 4.452 4.120 -0.000 0.000 0.301 156 V C 0.136 176.220 176.094 -0.016 0.000 1.034 156 V CA -0.744 61.546 62.300 -0.016 0.000 0.865 156 V CB 1.886 33.701 31.823 -0.014 0.000 0.995 156 V HN 0.459 nan 8.190 nan 0.000 0.424 157 L N 4.476 125.688 121.223 -0.019 0.000 2.287 157 L HA 0.618 4.958 4.340 -0.000 0.000 0.287 157 L C -0.114 176.744 176.870 -0.019 0.000 1.022 157 L CA -0.128 54.702 54.840 -0.017 0.000 0.814 157 L CB 1.235 43.284 42.059 -0.017 0.000 1.217 157 L HN 0.688 nan 8.230 nan 0.000 0.420 158 E N 4.465 124.655 120.200 -0.016 0.000 2.156 158 E HA 0.329 4.679 4.350 -0.000 0.000 0.279 158 E C -0.348 176.242 176.600 -0.016 0.000 0.965 158 E CA -0.763 55.626 56.400 -0.017 0.000 0.789 158 E CB 2.021 31.713 29.700 -0.014 0.000 1.098 158 E HN 0.536 nan 8.360 nan 0.000 0.397 159 V N 0.697 120.599 119.914 -0.019 0.000 3.319 159 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 159 V C 0.256 176.343 176.094 -0.012 0.000 1.094 159 V CA -0.650 61.641 62.300 -0.016 0.000 1.106 159 V CB 0.498 32.308 31.823 -0.021 0.000 1.099 159 V HN 0.624 nan 8.190 nan 0.000 0.476 160 M N 0.820 120.415 119.600 -0.009 0.000 2.471 160 M HA 0.402 4.882 4.480 -0.000 0.000 0.309 160 M C -0.399 175.898 176.300 -0.006 0.000 1.186 160 M CA -0.715 54.581 55.300 -0.006 0.000 1.008 160 M CB 0.855 33.453 32.600 -0.004 0.000 1.551 160 M HN 0.666 nan 8.290 nan 0.000 0.477 161 D N 1.593 121.990 120.400 -0.005 0.000 2.487 161 D HA 0.148 4.788 4.640 -0.000 0.000 0.243 161 D C 1.085 177.383 176.300 -0.002 0.000 1.154 161 D CA 1.253 55.250 54.000 -0.004 0.000 0.876 161 D CB 0.323 41.121 40.800 -0.003 0.000 1.161 161 D HN 0.887 nan 8.370 nan 0.000 0.478 162 G N 2.678 111.476 108.800 -0.002 0.000 2.203 162 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.263 162 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.263 162 G C 0.384 175.284 174.900 0.001 0.000 1.012 162 G CA 0.538 45.638 45.100 -0.000 0.000 0.749 162 G HN 0.636 nan 8.290 nan 0.000 0.512 163 E N 0.925 121.125 120.200 -0.000 0.000 2.384 163 E HA 0.421 4.771 4.350 -0.000 0.000 0.266 163 E C 1.255 177.858 176.600 0.005 0.000 1.012 163 E CA 0.216 56.617 56.400 0.001 0.000 0.901 163 E CB 0.322 30.022 29.700 -0.001 0.000 0.967 163 E HN 0.569 nan 8.360 nan 0.000 0.435 164 S N 4.339 120.044 115.700 0.008 0.000 2.585 164 S HA 0.154 4.624 4.470 -0.000 0.000 0.273 164 S C -1.594 173.017 174.600 0.018 0.000 1.339 164 S CA -1.097 57.111 58.200 0.013 0.000 1.028 164 S CB 1.199 64.407 63.200 0.013 0.000 0.906 164 S HN 0.478 nan 8.310 nan 0.000 0.528 165 P HA -0.083 nan 4.420 nan 0.000 0.220 165 P C 0.809 178.132 177.300 0.038 0.000 1.148 165 P CA 1.183 64.306 63.100 0.039 0.000 0.803 165 P CB 0.040 31.772 31.700 0.054 0.000 0.782 166 E N -0.167 120.051 120.200 0.030 0.000 2.106 166 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 166 E C 2.357 178.970 176.600 0.021 0.000 0.984 166 E CA 1.297 57.712 56.400 0.026 0.000 0.806 166 E CB -0.870 28.842 29.700 0.021 0.000 0.750 166 E HN 0.160 nan 8.360 nan 0.000 0.458 167 S N -0.202 115.508 115.700 0.017 0.000 2.368 167 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 167 S C 1.916 176.524 174.600 0.012 0.000 1.029 167 S CA 0.702 58.909 58.200 0.012 0.000 0.988 167 S CB -0.206 62.999 63.200 0.009 0.000 0.838 167 S HN 0.184 nan 8.310 nan 0.000 0.462 168 I N 1.286 121.865 120.570 0.015 0.000 2.179 168 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 168 I C 2.836 178.966 176.117 0.021 0.000 1.088 168 I CA 1.538 62.846 61.300 0.013 0.000 1.357 168 I CB -0.398 37.610 38.000 0.013 0.000 1.051 168 I HN 0.339 nan 8.210 nan 0.000 0.409 169 R N 1.127 121.646 120.500 0.032 0.000 2.091 169 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 169 R C 2.538 178.852 176.300 0.023 0.000 1.136 169 R CA 1.591 57.713 56.100 0.037 0.000 0.959 169 R CB -0.249 30.077 30.300 0.043 0.000 0.856 169 R HN 0.234 nan 8.270 nan 0.000 0.437 170 R N 0.331 120.842 120.500 0.018 0.000 2.073 170 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 170 R C 2.220 178.524 176.300 0.008 0.000 1.134 170 R CA 1.572 57.679 56.100 0.012 0.000 0.952 170 R CB -0.076 30.230 30.300 0.010 0.000 0.850 170 R HN 0.261 nan 8.270 nan 0.000 0.433 171 R N -0.161 120.343 120.500 0.006 0.000 2.092 171 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 171 R C 2.294 178.595 176.300 0.001 0.000 1.119 171 R CA 1.226 57.328 56.100 0.002 0.000 0.970 171 R CB -0.252 30.048 30.300 0.000 0.000 0.864 171 R HN 0.129 nan 8.270 nan 0.000 0.440 172 V N 1.551 121.467 119.914 0.004 0.000 2.358 172 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 172 V C 2.076 178.170 176.094 0.000 0.000 1.047 172 V CA 1.734 64.035 62.300 0.003 0.000 1.035 172 V CB -0.374 31.457 31.823 0.013 0.000 0.658 172 V HN 0.335 nan 8.190 nan 0.000 0.452 173 E N -0.275 119.928 120.200 0.005 0.000 2.110 173 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 173 E C 2.247 178.846 176.600 -0.003 0.000 0.988 173 E CA 1.382 57.783 56.400 0.002 0.000 0.804 173 E CB -0.074 29.630 29.700 0.006 0.000 0.745 173 E HN 0.702 nan 8.360 nan 0.000 0.458 174 E N 1.464 121.663 120.200 -0.002 0.000 2.028 174 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 174 E C 2.116 178.711 176.600 -0.007 0.000 0.988 174 E CA 1.135 57.532 56.400 -0.004 0.000 0.799 174 E CB 0.062 29.761 29.700 -0.002 0.000 0.755 174 E HN -0.000 nan 8.360 nan 0.000 0.447 175 K N 0.034 120.429 120.400 -0.008 0.000 2.057 175 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 175 K C 2.030 178.620 176.600 -0.016 0.000 1.049 175 K CA 1.195 57.475 56.287 -0.012 0.000 0.931 175 K CB -0.192 32.300 32.500 -0.012 0.000 0.714 175 K HN 0.177 nan 8.250 nan 0.000 0.440 176 A N 1.383 124.192 122.820 -0.018 0.000 1.972 176 A HA -0.180 4.139 4.320 -0.000 0.000 0.219 176 A C 2.110 179.680 177.584 -0.023 0.000 1.169 176 A CA 1.566 53.587 52.037 -0.025 0.000 0.635 176 A CB -0.501 18.482 19.000 -0.028 0.000 0.810 176 A HN 0.410 nan 8.150 nan 0.000 0.446 177 R N -0.385 120.105 120.500 -0.016 0.000 2.062 177 R HA 0.063 4.403 4.340 -0.000 0.000 0.226 177 R C 1.869 178.161 176.300 -0.013 0.000 1.125 177 R CA 1.182 57.273 56.100 -0.014 0.000 0.966 177 R CB -0.372 29.922 30.300 -0.010 0.000 0.861 177 R HN 0.465 nan 8.270 nan 0.000 0.433 178 L N 0.538 121.754 121.223 -0.012 0.000 2.131 178 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 178 L C 1.295 178.158 176.870 -0.013 0.000 1.092 178 L CA 1.423 56.257 54.840 -0.011 0.000 0.759 178 L CB -0.103 41.950 42.059 -0.009 0.000 0.903 178 L HN 0.302 nan 8.230 nan 0.000 0.435 179 E N -0.567 119.623 120.200 -0.016 0.000 2.501 179 E HA 0.261 4.611 4.350 -0.000 0.000 0.200 179 E C 0.694 177.281 176.600 -0.021 0.000 1.016 179 E CA 0.339 56.728 56.400 -0.018 0.000 0.921 179 E CB 0.603 30.292 29.700 -0.019 0.000 1.034 179 E HN 0.306 nan 8.360 nan 0.000 0.468 180 A N 2.394 125.201 122.820 -0.022 0.000 2.640 180 A HA -0.235 4.085 4.320 -0.000 0.000 0.300 180 A C -0.055 177.508 177.584 -0.035 0.000 1.499 180 A CA 0.654 52.676 52.037 -0.025 0.000 0.759 180 A CB -1.208 17.779 19.000 -0.021 0.000 1.048 180 A HN 0.156 nan 8.150 nan 0.000 0.450 181 R N -0.048 120.427 120.500 -0.041 0.000 2.390 181 R HA 0.363 4.702 4.340 -0.000 0.000 0.291 181 R C 0.474 176.729 176.300 -0.075 0.000 1.070 181 R CA 0.207 56.272 56.100 -0.059 0.000 1.014 181 R CB 0.546 30.810 30.300 -0.060 0.000 1.007 181 R HN 0.687 nan 8.270 nan 0.000 0.466 182 D N 0.411 120.752 120.400 -0.098 0.000 2.469 182 D HA 0.089 4.729 4.640 -0.000 0.000 0.213 182 D C -0.093 176.084 176.300 -0.205 0.000 1.135 182 D CA -0.224 53.705 54.000 -0.119 0.000 0.834 182 D CB 0.273 41.017 40.800 -0.092 0.000 1.009 182 D HN 0.156 nan 8.370 nan 0.000 0.507 183 L N 1.017 122.092 121.223 -0.246 0.000 2.504 183 L HA 0.474 4.814 4.340 -0.000 0.000 0.265 183 L C -1.837 174.835 176.870 -0.330 0.000 0.975 183 L CA -0.808 53.780 54.840 -0.421 0.000 0.864 183 L CB 1.451 43.201 42.059 -0.515 0.000 1.212 183 L HN -0.015 nan 8.230 nan 0.000 0.416 184 I N 5.979 126.362 120.570 -0.312 0.000 2.312 184 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 184 I C -0.632 175.405 176.117 -0.134 0.000 1.008 184 I CA -0.388 60.812 61.300 -0.167 0.000 1.226 184 I CB 1.173 39.126 38.000 -0.079 0.000 1.371 184 I HN 0.439 nan 8.210 nan 0.000 0.468 185 L N 7.441 128.615 121.223 -0.081 0.000 2.277 185 L HA 0.417 4.757 4.340 -0.000 0.000 0.284 185 L C -0.440 176.441 176.870 0.018 0.000 1.028 185 L CA -0.771 54.074 54.840 0.008 0.000 0.835 185 L CB 1.198 43.258 42.059 0.002 0.000 1.215 185 L HN 0.303 nan 8.230 nan 0.000 0.425 186 V N 1.665 121.608 119.914 0.047 0.000 2.368 186 V HA 0.093 4.213 4.120 -0.000 0.000 0.266 186 V C 0.029 176.049 176.094 -0.124 0.000 1.045 186 V CA -0.367 61.884 62.300 -0.082 0.000 0.899 186 V CB 1.216 32.895 31.823 -0.240 0.000 1.006 186 V HN 0.595 nan 8.190 nan 0.000 0.470 187 D N 4.651 124.992 120.400 -0.098 0.000 2.393 187 D HA 0.216 4.856 4.640 -0.000 0.000 0.232 187 D C 0.736 176.965 176.300 -0.118 0.000 1.192 187 D CA -0.110 53.841 54.000 -0.080 0.000 0.882 187 D CB 0.889 41.661 40.800 -0.046 0.000 1.038 187 D HN 0.704 nan 8.370 nan 0.000 0.499 188 T N 0.607 115.075 114.554 -0.142 0.000 2.828 188 T HA 0.546 4.896 4.350 -0.000 0.000 0.290 188 T C 0.655 175.327 174.700 -0.047 0.000 1.019 188 T CA -0.858 61.164 62.100 -0.130 0.000 1.031 188 T CB 1.065 69.858 68.868 -0.125 0.000 1.001 188 T HN 0.409 nan 8.240 nan 0.000 0.531 189 A N 0.679 123.485 122.820 -0.022 0.000 2.540 189 A HA 0.527 4.847 4.320 -0.000 0.000 0.239 189 A C 0.832 178.440 177.584 0.040 0.000 1.061 189 A CA -0.078 51.963 52.037 0.006 0.000 0.758 189 A CB -0.721 18.284 19.000 0.009 0.000 0.991 189 A HN 1.291 nan 8.150 nan 0.000 0.502 190 G N 2.555 111.373 108.800 0.032 0.000 2.417 190 G HA2 0.580 4.540 3.960 -0.000 0.000 0.320 190 G HA3 0.580 4.540 3.960 -0.000 0.000 0.320 190 G C -0.266 174.662 174.900 0.047 0.000 1.204 190 G CA -0.640 44.490 45.100 0.050 0.000 0.923 190 G HN 0.649 nan 8.290 nan 0.000 0.466 191 R N 2.014 122.555 120.500 0.067 0.000 2.892 191 R HA 0.405 4.745 4.340 -0.000 0.000 0.265 191 R C 1.167 177.496 176.300 0.049 0.000 1.025 191 R CA -1.053 55.075 56.100 0.047 0.000 0.982 191 R CB 1.672 31.995 30.300 0.038 0.000 1.185 191 R HN 0.442 nan 8.270 nan 0.000 0.484 192 L N 0.472 121.714 121.223 0.031 0.000 2.131 192 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 192 L C 0.531 177.420 176.870 0.031 0.000 1.092 192 L CA 1.655 56.511 54.840 0.027 0.000 0.759 192 L CB -0.085 41.984 42.059 0.016 0.000 0.903 192 L HN 0.397 nan 8.230 nan 0.000 0.435 193 Q N -1.181 118.634 119.800 0.026 0.000 2.456 193 Q HA 0.428 4.767 4.340 -0.000 0.000 0.283 193 Q C -0.919 175.082 176.000 0.002 0.000 1.084 193 Q CA -0.909 54.904 55.803 0.017 0.000 0.801 193 Q CB 2.761 31.500 28.738 0.003 0.000 1.434 193 Q HN -0.019 nan 8.270 nan 0.000 0.419 194 I N 1.870 122.424 120.570 -0.027 0.000 2.664 194 I HA -0.076 4.093 4.170 -0.000 0.000 0.284 194 I C -0.188 175.881 176.117 -0.081 0.000 1.154 194 I CA 0.627 61.867 61.300 -0.100 0.000 1.402 194 I CB -0.001 37.903 38.000 -0.161 0.000 1.395 194 I HN 0.411 nan 8.210 nan 0.000 0.545 195 D N 5.401 125.756 120.400 -0.076 0.000 2.329 195 D HA 0.118 4.757 4.640 -0.000 0.000 0.232 195 D C 0.926 177.188 176.300 -0.064 0.000 1.088 195 D CA -0.315 53.654 54.000 -0.051 0.000 0.835 195 D CB 1.298 42.082 40.800 -0.026 0.000 1.078 195 D HN 0.382 nan 8.370 nan 0.000 0.495 196 E N 3.716 123.883 120.200 -0.054 0.000 2.070 196 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 196 E C -1.009 175.569 176.600 -0.036 0.000 1.004 196 E CA 1.564 57.933 56.400 -0.050 0.000 0.805 196 E CB -0.677 29.001 29.700 -0.037 0.000 0.744 196 E HN 0.466 nan 8.360 nan 0.000 0.451 197 P HA -0.125 nan 4.420 nan 0.000 0.217 197 P C 1.508 178.801 177.300 -0.011 0.000 1.150 197 P CA 0.861 63.952 63.100 -0.014 0.000 0.832 197 P CB -0.059 31.635 31.700 -0.010 0.000 0.787 198 L N -1.706 119.508 121.223 -0.015 0.000 2.056 198 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 198 L C 2.117 178.984 176.870 -0.006 0.000 1.078 198 L CA 2.001 56.838 54.840 -0.005 0.000 0.749 198 L CB -1.141 40.917 42.059 -0.002 0.000 0.901 198 L HN -0.158 nan 8.230 nan 0.000 0.433 199 M N -0.328 119.246 119.600 -0.043 0.000 2.159 199 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 199 M C 2.253 178.549 176.300 -0.008 0.000 1.063 199 M CA 1.540 56.806 55.300 -0.056 0.000 1.110 199 M CB -2.028 30.502 32.600 -0.117 0.000 1.374 199 M HN 0.473 nan 8.290 nan 0.000 0.411 200 G N -0.484 108.312 108.800 -0.007 0.000 2.408 200 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.217 200 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.217 200 G C 1.554 176.471 174.900 0.028 0.000 1.150 200 G CA 0.660 45.765 45.100 0.008 0.000 0.776 200 G HN 0.531 nan 8.290 nan 0.000 0.542 201 E N -0.107 120.110 120.200 0.028 0.000 2.072 201 E HA -0.025 4.324 4.350 -0.000 0.000 0.191 201 E C 2.557 179.200 176.600 0.071 0.000 0.985 201 E CA 0.396 56.820 56.400 0.040 0.000 0.801 201 E CB -0.127 29.589 29.700 0.027 0.000 0.750 201 E HN 0.437 nan 8.360 nan 0.000 0.452 202 L N 0.257 121.531 121.223 0.086 0.000 2.056 202 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 202 L C 2.661 179.648 176.870 0.195 0.000 1.078 202 L CA 1.043 55.975 54.840 0.154 0.000 0.749 202 L CB -0.474 41.691 42.059 0.177 0.000 0.901 202 L HN 0.172 nan 8.230 nan 0.000 0.433 203 A N 0.230 123.123 122.820 0.123 0.000 1.902 203 A HA -0.253 4.066 4.320 -0.000 0.000 0.217 203 A C 2.352 179.992 177.584 0.093 0.000 1.181 203 A CA 1.908 54.003 52.037 0.098 0.000 0.623 203 A CB -0.467 18.565 19.000 0.053 0.000 0.818 203 A HN 0.297 nan 8.150 nan 0.000 0.443 204 R N -0.510 120.041 120.500 0.085 0.000 2.075 204 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 204 R C 1.859 178.224 176.300 0.109 0.000 1.126 204 R CA 1.583 57.727 56.100 0.075 0.000 0.963 204 R CB -0.900 29.433 30.300 0.056 0.000 0.858 204 R HN 0.394 nan 8.270 nan 0.000 0.435 205 L N 1.085 122.403 121.223 0.158 0.000 2.083 205 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 205 L C 2.163 179.239 176.870 0.344 0.000 1.083 205 L CA 1.979 56.960 54.840 0.234 0.000 0.752 205 L CB -0.563 41.629 42.059 0.221 0.000 0.899 205 L HN 0.263 nan 8.230 nan 0.000 0.433 206 K N -0.580 120.004 120.400 0.308 0.000 2.097 206 K HA -0.196 4.123 4.320 -0.000 0.000 0.206 206 K C 1.922 178.505 176.600 -0.028 0.000 1.049 206 K CA 1.695 57.985 56.287 0.006 0.000 0.933 206 K CB -0.081 32.395 32.500 -0.040 0.000 0.717 206 K HN 0.482 nan 8.250 nan 0.000 0.442 207 E N -0.095 120.124 120.200 0.033 0.000 2.072 207 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 207 E C 1.948 178.564 176.600 0.027 0.000 0.985 207 E CA 1.344 57.755 56.400 0.017 0.000 0.801 207 E CB 0.161 29.877 29.700 0.027 0.000 0.750 207 E HN 0.125 nan 8.360 nan 0.000 0.452 208 V N 1.159 121.108 119.914 0.058 0.000 2.407 208 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 208 V C 2.146 178.281 176.094 0.067 0.000 1.041 208 V CA 1.200 63.536 62.300 0.060 0.000 1.040 208 V CB -0.236 31.630 31.823 0.071 0.000 0.671 208 V HN 0.245 nan 8.190 nan 0.000 0.455 209 L N 0.316 121.604 121.223 0.108 0.000 2.307 209 L HA 0.287 4.627 4.340 -0.000 0.000 0.211 209 L C 1.596 178.481 176.870 0.025 0.000 1.099 209 L CA 0.814 55.725 54.840 0.119 0.000 0.816 209 L CB -0.770 41.471 42.059 0.305 0.000 0.952 209 L HN 0.553 nan 8.230 nan 0.000 0.455 210 G N 2.185 110.952 108.800 -0.055 0.000 2.370 210 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.293 210 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.293 210 G C -2.097 172.727 174.900 -0.126 0.000 0.992 210 G CA -0.494 44.548 45.100 -0.096 0.000 1.247 210 G HN 0.202 nan 8.290 nan 0.000 0.505 211 P HA 0.190 nan 4.420 nan 0.000 0.269 211 P C 0.447 177.703 177.300 -0.073 0.000 1.209 211 P CA -0.175 62.804 63.100 -0.202 0.000 0.776 211 P CB 0.889 32.241 31.700 -0.580 0.000 0.876 212 D N 0.493 120.946 120.400 0.089 0.000 2.289 212 D HA -0.003 4.637 4.640 -0.000 0.000 0.207 212 D C 0.272 176.572 176.300 -0.000 0.000 0.966 212 D CA 1.078 55.130 54.000 0.088 0.000 0.868 212 D CB 0.657 41.581 40.800 0.206 0.000 0.943 212 D HN 0.480 nan 8.370 nan 0.000 0.514 213 E N 0.418 120.600 120.200 -0.030 0.000 2.356 213 E HA 0.377 4.727 4.350 -0.000 0.000 0.275 213 E C -1.087 175.470 176.600 -0.071 0.000 0.904 213 E CA -0.676 55.598 56.400 -0.211 0.000 0.757 213 E CB 3.457 32.688 29.700 -0.782 0.000 1.232 213 E HN -0.246 nan 8.360 nan 0.000 0.442 214 V N 3.206 123.094 119.914 -0.042 0.000 2.340 214 V HA 0.280 4.400 4.120 -0.000 0.000 0.277 214 V C -0.242 175.874 176.094 0.037 0.000 1.017 214 V CA -0.550 61.782 62.300 0.053 0.000 0.820 214 V CB 0.804 32.652 31.823 0.041 0.000 1.028 214 V HN 0.450 nan 8.190 nan 0.000 0.436 215 L N 5.335 126.594 121.223 0.059 0.000 2.278 215 L HA 0.459 4.799 4.340 -0.000 0.000 0.287 215 L C -0.262 176.595 176.870 -0.022 0.000 1.072 215 L CA -0.513 54.351 54.840 0.040 0.000 0.819 215 L CB 1.234 43.346 42.059 0.089 0.000 1.176 215 L HN 0.438 nan 8.230 nan 0.000 0.435 216 L N 5.591 126.765 121.223 -0.081 0.000 2.265 216 L HA 0.363 4.703 4.340 -0.000 0.000 0.288 216 L C -0.235 176.545 176.870 -0.151 0.000 1.058 216 L CA 0.021 54.746 54.840 -0.193 0.000 0.809 216 L CB 1.402 43.334 42.059 -0.212 0.000 1.179 216 L HN 0.246 nan 8.230 nan 0.000 0.429 217 V N 7.035 126.848 119.914 -0.168 0.000 2.432 217 V HA 0.409 4.529 4.120 -0.000 0.000 0.275 217 V C 0.165 176.188 176.094 -0.118 0.000 1.043 217 V CA -0.390 61.845 62.300 -0.109 0.000 0.925 217 V CB 1.049 32.823 31.823 -0.082 0.000 0.985 217 V HN 0.629 nan 8.190 nan 0.000 0.466 218 L N 3.589 124.760 121.223 -0.087 0.000 2.386 218 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 218 L C -0.404 176.434 176.870 -0.053 0.000 0.993 218 L CA -0.697 54.101 54.840 -0.070 0.000 0.819 218 L CB 2.213 44.231 42.059 -0.069 0.000 1.294 218 L HN 0.505 nan 8.230 nan 0.000 0.414 219 D N 2.137 122.513 120.400 -0.040 0.000 2.374 219 D HA 0.218 4.858 4.640 -0.000 0.000 0.240 219 D C 0.962 177.236 176.300 -0.043 0.000 1.229 219 D CA -0.010 53.969 54.000 -0.035 0.000 0.895 219 D CB 1.853 42.638 40.800 -0.025 0.000 1.046 219 D HN 0.626 nan 8.370 nan 0.000 0.498 220 A N 4.559 127.349 122.820 -0.049 0.000 2.084 220 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 220 A C 2.043 179.576 177.584 -0.085 0.000 1.161 220 A CA 1.205 53.203 52.037 -0.065 0.000 0.653 220 A CB -0.451 18.517 19.000 -0.054 0.000 0.802 220 A HN 0.734 nan 8.150 nan 0.000 0.457 221 M N -0.008 119.549 119.600 -0.071 0.000 2.659 221 M HA -0.050 4.430 4.480 -0.000 0.000 0.243 221 M C 1.682 177.944 176.300 -0.063 0.000 1.111 221 M CA 1.320 56.575 55.300 -0.076 0.000 1.070 221 M CB -0.259 32.307 32.600 -0.056 0.000 1.525 221 M HN 0.613 nan 8.290 nan 0.000 0.517 222 T N -2.833 111.690 114.554 -0.052 0.000 3.129 222 T HA 0.379 4.729 4.350 -0.000 0.000 0.251 222 T C 1.281 175.955 174.700 -0.043 0.000 1.117 222 T CA 0.201 62.278 62.100 -0.038 0.000 1.034 222 T CB -0.281 68.573 68.868 -0.023 0.000 0.968 222 T HN 0.534 nan 8.240 nan 0.000 0.526 223 G N 1.982 110.745 108.800 -0.061 0.000 2.582 223 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.288 223 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.288 223 G C 0.724 175.600 174.900 -0.041 0.000 1.247 223 G CA 0.392 45.454 45.100 -0.062 0.000 0.972 223 G HN 0.337 nan 8.290 nan 0.000 0.557 224 Q N -0.191 119.588 119.800 -0.035 0.000 2.197 224 Q HA -0.157 4.183 4.340 -0.000 0.000 0.207 224 Q C 2.425 178.419 176.000 -0.011 0.000 0.984 224 Q CA 2.140 57.930 55.803 -0.021 0.000 0.869 224 Q CB -0.305 28.421 28.738 -0.020 0.000 0.906 224 Q HN 0.688 nan 8.270 nan 0.000 0.426 225 E N 0.735 120.928 120.200 -0.011 0.000 2.160 225 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 225 E C 1.727 178.333 176.600 0.009 0.000 0.991 225 E CA 1.334 57.734 56.400 -0.000 0.000 0.810 225 E CB -0.275 29.424 29.700 -0.002 0.000 0.742 225 E HN 0.321 nan 8.360 nan 0.000 0.466 226 A N 0.297 123.116 122.820 -0.001 0.000 1.933 226 A HA -0.132 4.187 4.320 -0.000 0.000 0.218 226 A C 2.285 179.877 177.584 0.012 0.000 1.175 226 A CA 1.412 53.450 52.037 0.002 0.000 0.628 226 A CB -0.657 18.331 19.000 -0.021 0.000 0.814 226 A HN 0.350 nan 8.150 nan 0.000 0.444 227 L N -0.498 120.730 121.223 0.007 0.000 2.201 227 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 227 L C 2.696 179.583 176.870 0.028 0.000 1.105 227 L CA 1.180 56.028 54.840 0.015 0.000 0.775 227 L CB -0.350 41.716 42.059 0.012 0.000 0.913 227 L HN 0.320 nan 8.230 nan 0.000 0.440 228 S N -0.498 115.219 115.700 0.028 0.000 2.371 228 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 228 S C 2.056 176.690 174.600 0.056 0.000 1.029 228 S CA 0.886 59.105 58.200 0.031 0.000 0.978 228 S CB -0.111 63.101 63.200 0.021 0.000 0.833 228 S HN 0.135 nan 8.310 nan 0.000 0.466 229 V N 2.252 122.214 119.914 0.079 0.000 2.343 229 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 229 V C 2.652 178.883 176.094 0.227 0.000 1.051 229 V CA 1.686 64.083 62.300 0.162 0.000 1.036 229 V CB -1.183 30.742 31.823 0.169 0.000 0.654 229 V HN 0.534 nan 8.190 nan 0.000 0.451 230 A N -0.368 122.529 122.820 0.128 0.000 1.933 230 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 230 A C 2.444 180.095 177.584 0.112 0.000 1.175 230 A CA 1.872 53.972 52.037 0.104 0.000 0.628 230 A CB -0.540 18.480 19.000 0.034 0.000 0.814 230 A HN 0.420 nan 8.150 nan 0.000 0.444 231 R N -0.476 120.071 120.500 0.079 0.000 2.075 231 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 231 R C 2.375 178.707 176.300 0.054 0.000 1.126 231 R CA 1.357 57.490 56.100 0.054 0.000 0.963 231 R CB -0.428 29.891 30.300 0.032 0.000 0.858 231 R HN 0.462 nan 8.270 nan 0.000 0.435 232 A N 0.175 123.025 122.820 0.049 0.000 1.902 232 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 232 A C 1.985 179.542 177.584 -0.045 0.000 1.181 232 A CA 1.148 53.171 52.037 -0.023 0.000 0.623 232 A CB -0.685 18.269 19.000 -0.078 0.000 0.818 232 A HN 0.323 nan 8.150 nan 0.000 0.443 233 F N -0.081 119.873 119.950 0.007 0.000 2.186 233 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 233 F C 2.098 177.905 175.800 0.013 0.000 1.090 233 F CA 1.804 59.812 58.000 0.014 0.000 1.307 233 F CB -0.231 38.779 39.000 0.017 0.000 1.019 233 F HN 0.323 nan 8.300 nan 0.000 0.489 234 D N -0.413 120.097 120.400 0.183 0.000 2.183 234 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 234 D C 1.996 178.330 176.300 0.057 0.000 0.969 234 D CA 0.993 55.053 54.000 0.101 0.000 0.842 234 D CB 0.066 40.904 40.800 0.063 0.000 0.957 234 D HN 0.042 nan 8.370 nan 0.000 0.484 235 E N 0.208 120.430 120.200 0.038 0.000 2.112 235 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 235 E C 1.873 178.474 176.600 0.002 0.000 0.979 235 E CA 0.804 57.211 56.400 0.012 0.000 0.814 235 E CB -0.063 29.636 29.700 -0.001 0.000 0.762 235 E HN 0.349 nan 8.360 nan 0.000 0.460 236 K N -0.127 120.265 120.400 -0.013 0.000 2.323 236 K HA 0.102 4.422 4.320 -0.000 0.000 0.197 236 K C 1.793 178.397 176.600 0.008 0.000 1.043 236 K CA 0.336 56.606 56.287 -0.027 0.000 0.997 236 K CB 0.858 33.304 32.500 -0.090 0.000 0.807 236 K HN -0.093 nan 8.250 nan 0.000 0.497 237 V N -0.966 118.980 119.914 0.053 0.000 3.058 237 V HA 0.268 4.388 4.120 -0.000 0.000 0.233 237 V C 0.298 176.445 176.094 0.088 0.000 1.255 237 V CA 0.254 62.615 62.300 0.102 0.000 1.267 237 V CB 1.088 33.037 31.823 0.211 0.000 1.049 237 V HN 0.339 nan 8.190 nan 0.000 0.486 238 G N 1.052 109.909 108.800 0.096 0.000 3.373 238 G HA2 0.005 3.965 3.960 -0.000 0.000 0.685 238 G HA3 0.005 3.965 3.960 -0.000 0.000 0.685 238 G C -0.968 173.967 174.900 0.059 0.000 1.166 238 G CA -0.290 44.844 45.100 0.057 0.000 1.063 238 G HN 0.325 nan 8.290 nan 0.000 0.481 239 V N 2.103 122.046 119.914 0.050 0.000 2.713 239 V HA 0.837 4.957 4.120 -0.000 0.000 0.307 239 V C 1.439 177.527 176.094 -0.009 0.000 1.052 239 V CA 0.419 62.734 62.300 0.025 0.000 0.967 239 V CB 1.829 33.663 31.823 0.019 0.000 1.019 239 V HN 1.407 nan 8.190 nan 0.000 0.459 240 T N -1.428 113.113 114.554 -0.022 0.000 2.954 240 T HA 0.468 4.818 4.350 -0.000 0.000 0.252 240 T C 0.509 175.167 174.700 -0.071 0.000 0.983 240 T CA 0.499 62.583 62.100 -0.027 0.000 0.941 240 T CB 0.631 69.492 68.868 -0.012 0.000 1.141 240 T HN 1.122 nan 8.240 nan 0.000 0.500 241 G N 0.557 109.298 108.800 -0.100 0.000 2.660 241 G HA2 0.634 4.594 3.960 -0.000 0.000 0.290 241 G HA3 0.634 4.594 3.960 -0.000 0.000 0.290 241 G C -2.117 172.657 174.900 -0.210 0.000 1.432 241 G CA -1.038 43.860 45.100 -0.335 0.000 0.807 241 G HN 0.344 nan 8.290 nan 0.000 0.485 242 L N -0.508 120.543 121.223 -0.286 0.000 2.323 242 L HA 0.809 5.149 4.340 -0.000 0.000 0.265 242 L C -0.695 176.129 176.870 -0.077 0.000 1.012 242 L CA -1.295 53.453 54.840 -0.154 0.000 0.820 242 L CB 2.462 44.417 42.059 -0.173 0.000 1.334 242 L HN 0.281 nan 8.230 nan 0.000 0.427 243 V N 3.080 122.968 119.914 -0.044 0.000 2.447 243 V HA 0.370 4.490 4.120 -0.000 0.000 0.292 243 V C -0.317 175.741 176.094 -0.060 0.000 1.021 243 V CA -0.318 61.986 62.300 0.007 0.000 0.850 243 V CB 1.886 33.745 31.823 0.061 0.000 1.005 243 V HN 0.477 nan 8.190 nan 0.000 0.426 244 L N 5.409 126.568 121.223 -0.107 0.000 2.257 244 L HA 0.591 4.931 4.340 -0.000 0.000 0.290 244 L C 0.749 177.586 176.870 -0.056 0.000 1.044 244 L CA -0.133 54.642 54.840 -0.109 0.000 0.810 244 L CB 1.592 43.542 42.059 -0.181 0.000 1.193 244 L HN 0.767 nan 8.230 nan 0.000 0.425 245 T N -0.941 113.591 114.554 -0.036 0.000 2.936 245 T HA 0.403 4.753 4.350 -0.000 0.000 0.282 245 T C 0.348 175.044 174.700 -0.006 0.000 1.003 245 T CA -0.799 61.294 62.100 -0.012 0.000 1.005 245 T CB 1.533 70.393 68.868 -0.014 0.000 1.097 245 T HN 0.613 nan 8.240 nan 0.000 0.532 246 K N -0.110 120.294 120.400 0.007 0.000 3.069 246 K HA -0.136 4.184 4.320 -0.000 0.000 0.267 246 K C 0.989 177.600 176.600 0.019 0.000 1.082 246 K CA 0.438 56.731 56.287 0.009 0.000 0.782 246 K CB -1.763 30.733 32.500 -0.007 0.000 1.230 246 K HN 0.601 nan 8.250 nan 0.000 0.488 247 L N 0.648 121.901 121.223 0.049 0.000 2.353 247 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 247 L C 2.112 179.050 176.870 0.113 0.000 1.133 247 L CA 1.665 56.567 54.840 0.104 0.000 0.798 247 L CB -0.350 41.804 42.059 0.158 0.000 0.922 247 L HN 0.421 nan 8.230 nan 0.000 0.445 248 D N -0.723 119.723 120.400 0.077 0.000 2.323 248 D HA -0.033 4.606 4.640 -0.000 0.000 0.209 248 D C 1.103 177.428 176.300 0.042 0.000 0.973 248 D CA 0.274 54.316 54.000 0.070 0.000 0.874 248 D CB -0.136 40.699 40.800 0.058 0.000 0.930 248 D HN 0.146 nan 8.370 nan 0.000 0.521 249 G N 0.481 109.292 108.800 0.019 0.000 2.569 249 G HA2 0.084 4.044 3.960 -0.000 0.000 0.249 249 G HA3 0.084 4.044 3.960 -0.000 0.000 0.249 249 G C -0.729 174.159 174.900 -0.021 0.000 1.216 249 G CA -0.454 44.644 45.100 -0.003 0.000 0.845 249 G HN -0.048 nan 8.290 nan 0.000 0.568 250 D N 0.201 120.587 120.400 -0.024 0.000 2.367 250 D HA 0.474 5.113 4.640 -0.000 0.000 0.255 250 D C 0.391 176.651 176.300 -0.067 0.000 1.300 250 D CA 0.896 54.875 54.000 -0.036 0.000 0.959 250 D CB 0.171 40.957 40.800 -0.023 0.000 1.064 250 D HN 0.598 nan 8.370 nan 0.000 0.509 251 A N 3.324 126.076 122.820 -0.112 0.000 2.583 251 A HA 0.519 4.839 4.320 -0.000 0.000 0.289 251 A C 0.713 178.157 177.584 -0.233 0.000 1.151 251 A CA -0.713 51.228 52.037 -0.161 0.000 0.695 251 A CB 1.303 20.192 19.000 -0.185 0.000 1.290 251 A HN 0.457 nan 8.150 nan 0.000 0.419 252 R N -0.413 119.943 120.500 -0.240 0.000 2.080 252 R HA 0.269 4.609 4.340 -0.000 0.000 0.222 252 R C 1.402 177.421 176.300 -0.469 0.000 1.107 252 R CA 1.285 57.235 56.100 -0.251 0.000 0.980 252 R CB 0.053 30.260 30.300 -0.154 0.000 0.879 252 R HN 1.777 nan 8.270 nan 0.000 0.439 253 G N -0.721 107.740 108.800 -0.565 0.000 2.157 253 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 253 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 253 G C 0.836 175.606 174.900 -0.217 0.000 0.979 253 G CA 0.301 44.905 45.100 -0.827 0.000 0.650 253 G HN 0.508 nan 8.290 nan 0.000 0.529 254 G N 0.511 109.227 108.800 -0.141 0.000 2.422 254 G HA2 0.193 4.153 3.960 -0.000 0.000 0.218 254 G HA3 0.193 4.153 3.960 -0.000 0.000 0.218 254 G C 1.945 176.829 174.900 -0.026 0.000 1.146 254 G CA 2.469 47.537 45.100 -0.052 0.000 0.769 254 G HN 1.572 nan 8.290 nan 0.000 0.547 255 A N 1.121 123.915 122.820 -0.045 0.000 1.930 255 A HA 0.348 4.668 4.320 -0.000 0.000 0.217 255 A C 2.804 180.391 177.584 0.005 0.000 1.175 255 A CA 2.017 54.039 52.037 -0.024 0.000 0.627 255 A CB -0.721 18.256 19.000 -0.039 0.000 0.815 255 A HN 0.742 nan 8.150 nan 0.000 0.443 256 A N -0.418 122.417 122.820 0.025 0.000 1.933 256 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 256 A C 2.115 179.771 177.584 0.120 0.000 1.175 256 A CA 1.489 53.574 52.037 0.080 0.000 0.628 256 A CB -0.540 18.591 19.000 0.219 0.000 0.814 256 A HN 0.467 nan 8.150 nan 0.000 0.444 257 L N -0.296 121.021 121.223 0.158 0.000 2.291 257 L HA -0.078 4.262 4.340 -0.000 0.000 0.214 257 L C 2.088 179.005 176.870 0.079 0.000 1.120 257 L CA 1.184 56.101 54.840 0.128 0.000 0.799 257 L CB 0.026 42.147 42.059 0.104 0.000 0.925 257 L HN 0.356 nan 8.230 nan 0.000 0.446 258 S N -0.910 114.820 115.700 0.050 0.000 2.517 258 S HA 0.146 4.616 4.470 -0.000 0.000 0.214 258 S C 2.086 176.730 174.600 0.073 0.000 0.991 258 S CA 0.410 58.638 58.200 0.046 0.000 0.906 258 S CB 0.319 63.522 63.200 0.005 0.000 0.789 258 S HN 0.413 nan 8.310 nan 0.000 0.513 259 A N 3.226 126.072 122.820 0.043 0.000 1.894 259 A HA -0.292 4.028 4.320 -0.000 0.000 0.220 259 A C 2.103 179.704 177.584 0.028 0.000 1.237 259 A CA 2.228 54.275 52.037 0.016 0.000 0.660 259 A CB -0.768 18.215 19.000 -0.029 0.000 0.835 259 A HN 0.487 nan 8.150 nan 0.000 0.461 260 R N -1.506 119.022 120.500 0.047 0.000 2.082 260 R HA -0.241 4.098 4.340 -0.000 0.000 0.234 260 R C 2.250 178.590 176.300 0.066 0.000 1.136 260 R CA 2.218 58.343 56.100 0.041 0.000 0.935 260 R CB -0.652 29.683 30.300 0.057 0.000 0.842 260 R HN 0.785 nan 8.270 nan 0.000 0.430 261 H N -0.418 118.660 119.070 0.013 0.000 2.352 261 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 261 H C 1.825 177.158 175.328 0.007 0.000 1.097 261 H CA 2.352 58.410 56.048 0.016 0.000 1.311 261 H CB 0.133 29.915 29.762 0.032 0.000 1.377 261 H HN 0.094 nan 8.280 nan 0.000 0.504 262 V N -0.510 119.520 119.914 0.194 0.000 2.379 262 V HA -0.157 3.963 4.120 -0.000 0.000 0.243 262 V C 2.643 178.758 176.094 0.035 0.000 1.035 262 V CA 1.873 64.247 62.300 0.122 0.000 1.035 262 V CB -0.490 31.398 31.823 0.109 0.000 0.673 262 V HN 0.780 nan 8.190 nan 0.000 0.457 263 T N -2.320 112.245 114.554 0.018 0.000 3.035 263 T HA 0.206 4.556 4.350 -0.000 0.000 0.259 263 T C 1.678 176.362 174.700 -0.027 0.000 1.078 263 T CA 1.178 63.274 62.100 -0.006 0.000 1.132 263 T CB 0.383 69.241 68.868 -0.017 0.000 0.900 263 T HN 1.035 nan 8.240 nan 0.000 0.480 264 G N 1.724 110.504 108.800 -0.033 0.000 2.155 264 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 264 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 264 G C -0.037 174.827 174.900 -0.061 0.000 0.983 264 G CA 0.332 45.404 45.100 -0.048 0.000 0.676 264 G HN 0.655 nan 8.290 nan 0.000 0.528 265 K N 0.868 121.222 120.400 -0.077 0.000 2.138 265 K HA 0.524 4.844 4.320 -0.000 0.000 0.263 265 K C -2.390 174.101 176.600 -0.181 0.000 0.965 265 K CA -2.011 54.199 56.287 -0.129 0.000 0.868 265 K CB 2.297 34.719 32.500 -0.129 0.000 1.083 265 K HN 0.152 nan 8.250 nan 0.000 0.443 266 P HA 0.312 nan 4.420 nan 0.000 0.278 266 P C -0.293 176.723 177.300 -0.473 0.000 1.238 266 P CA -0.369 62.528 63.100 -0.339 0.000 0.794 266 P CB 0.708 32.173 31.700 -0.391 0.000 0.955 267 I N 3.491 123.903 120.570 -0.262 0.000 2.287 267 I HA 0.088 4.258 4.170 -0.000 0.000 0.290 267 I C 1.033 177.076 176.117 -0.124 0.000 1.069 267 I CA -0.452 60.693 61.300 -0.258 0.000 1.237 267 I CB 0.245 38.015 38.000 -0.383 0.000 1.418 267 I HN 0.302 nan 8.210 nan 0.000 0.481 268 Y N 5.698 125.943 120.300 -0.092 0.000 2.176 268 Y HA 0.086 4.635 4.550 -0.000 0.000 0.291 268 Y C 0.651 176.248 175.900 -0.504 0.000 1.122 268 Y CA 0.850 58.799 58.100 -0.251 0.000 1.128 268 Y CB -0.208 38.179 38.460 -0.121 0.000 1.005 268 Y HN 0.285 nan 8.280 nan 0.000 0.509 269 F N -1.734 118.264 119.950 0.079 0.000 2.611 269 F HA 0.720 5.247 4.527 -0.000 0.000 0.324 269 F C -0.326 175.432 175.800 -0.070 0.000 1.061 269 F CA -1.640 56.350 58.000 -0.016 0.000 0.954 269 F CB 1.509 40.479 39.000 -0.050 0.000 1.301 269 F HN -0.263 nan 8.300 nan 0.000 0.482 270 A N 0.424 123.344 122.820 0.166 0.000 2.408 270 A HA 0.695 5.015 4.320 -0.000 0.000 0.295 270 A C -0.593 177.045 177.584 0.089 0.000 1.040 270 A CA -0.568 51.506 52.037 0.062 0.000 0.707 270 A CB 0.941 19.989 19.000 0.080 0.000 1.235 270 A HN 0.983 nan 8.150 nan 0.000 0.418 271 G N 0.399 109.230 108.800 0.051 0.000 2.339 271 G HA2 0.521 4.481 3.960 -0.000 0.000 0.287 271 G HA3 0.521 4.481 3.960 -0.000 0.000 0.287 271 G C 0.426 175.362 174.900 0.060 0.000 1.163 271 G CA 0.296 45.425 45.100 0.048 0.000 0.872 271 G HN 1.755 nan 8.290 nan 0.000 0.464 272 V N -0.322 119.632 119.914 0.068 0.000 3.253 272 V HA 0.615 4.735 4.120 -0.000 0.000 0.320 272 V C 0.403 176.532 176.094 0.058 0.000 1.442 272 V CA 0.420 62.764 62.300 0.074 0.000 1.097 272 V CB -0.775 31.104 31.823 0.093 0.000 1.008 272 V HN 1.188 nan 8.190 nan 0.000 0.463 273 S N -0.923 114.805 115.700 0.046 0.000 2.656 273 S HA 0.344 4.814 4.470 -0.000 0.000 0.265 273 S C -0.087 174.531 174.600 0.029 0.000 1.110 273 S CA 0.106 58.329 58.200 0.037 0.000 0.821 273 S CB 1.180 64.404 63.200 0.041 0.000 1.099 273 S HN 0.175 nan 8.310 nan 0.000 0.471 274 E N 0.669 120.883 120.200 0.024 0.000 2.385 274 E HA 0.072 4.422 4.350 -0.000 0.000 0.194 274 E C 0.540 177.152 176.600 0.020 0.000 1.013 274 E CA 0.185 56.596 56.400 0.018 0.000 0.866 274 E CB -0.009 29.700 29.700 0.015 0.000 0.832 274 E HN 0.638 nan 8.360 nan 0.000 0.500 275 K N 1.861 122.276 120.400 0.024 0.000 2.344 275 K HA 0.010 4.330 4.320 -0.000 0.000 0.260 275 K C -1.764 174.853 176.600 0.028 0.000 0.988 275 K CA -0.780 55.523 56.287 0.026 0.000 0.909 275 K CB 0.336 32.854 32.500 0.030 0.000 0.968 275 K HN -0.272 nan 8.250 nan 0.000 0.505 276 P HA -0.218 nan 4.420 nan 0.000 0.216 276 P C 0.532 177.857 177.300 0.043 0.000 1.150 276 P CA 1.596 64.715 63.100 0.031 0.000 0.843 276 P CB 0.089 31.807 31.700 0.029 0.000 0.787 277 E N -0.542 119.688 120.200 0.050 0.000 2.419 277 E HA 0.143 4.493 4.350 -0.000 0.000 0.190 277 E C 1.851 178.492 176.600 0.068 0.000 1.040 277 E CA -0.129 56.313 56.400 0.069 0.000 0.900 277 E CB -0.657 29.087 29.700 0.073 0.000 1.054 277 E HN 0.109 nan 8.360 nan 0.000 0.462 278 G N 0.824 109.656 108.800 0.052 0.000 2.498 278 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.219 278 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.219 278 G C 0.533 175.467 174.900 0.058 0.000 1.119 278 G CA 0.228 45.359 45.100 0.052 0.000 0.766 278 G HN 0.222 nan 8.290 nan 0.000 0.552 279 L N 1.008 122.260 121.223 0.047 0.000 2.289 279 L HA 0.564 4.904 4.340 -0.000 0.000 0.285 279 L C -0.228 176.677 176.870 0.058 0.000 1.049 279 L CA -0.694 54.169 54.840 0.039 0.000 0.804 279 L CB 1.322 43.362 42.059 -0.032 0.000 1.195 279 L HN 0.408 nan 8.230 nan 0.000 0.428 280 E N 4.008 124.272 120.200 0.106 0.000 2.413 280 E HA 0.535 4.885 4.350 -0.000 0.000 0.277 280 E C -2.903 173.724 176.600 0.045 0.000 0.958 280 E CA -2.450 54.001 56.400 0.084 0.000 0.779 280 E CB 1.185 30.964 29.700 0.131 0.000 1.278 280 E HN 0.222 nan 8.360 nan 0.000 0.456 281 P HA -0.024 nan 4.420 nan 0.000 0.265 281 P C -1.061 175.835 177.300 -0.673 0.000 1.187 281 P CA 0.017 62.734 63.100 -0.639 0.000 0.766 281 P CB 0.118 31.434 31.700 -0.641 0.000 0.820 282 F N 4.163 123.685 119.950 -0.714 0.000 2.424 282 F HA 0.318 4.845 4.527 -0.000 0.000 0.356 282 F C -0.688 174.776 175.800 -0.560 0.000 1.110 282 F CA -0.506 57.206 58.000 -0.481 0.000 1.161 282 F CB 0.027 38.875 39.000 -0.252 0.000 1.115 282 F HN 0.221 nan 8.300 nan 0.000 0.507 283 Y N 8.041 127.941 120.300 -0.667 0.000 2.464 283 Y HA 0.338 4.888 4.550 -0.000 0.000 0.326 283 Y C -1.799 173.595 175.900 -0.843 0.000 0.969 283 Y CA -2.545 55.208 58.100 -0.579 0.000 1.270 283 Y CB 0.806 39.100 38.460 -0.278 0.000 1.103 283 Y HN 0.472 nan 8.280 nan 0.000 0.491 284 P HA -0.215 nan 4.420 nan 0.000 0.216 284 P C 1.430 178.558 177.300 -0.287 0.000 1.150 284 P CA 1.498 64.264 63.100 -0.556 0.000 0.843 284 P CB 0.525 32.050 31.700 -0.291 0.000 0.787 285 E N -0.434 119.654 120.200 -0.187 0.000 2.085 285 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 285 E C 2.125 178.719 176.600 -0.009 0.000 0.994 285 E CA 1.224 57.568 56.400 -0.092 0.000 0.801 285 E CB -0.130 29.557 29.700 -0.022 0.000 0.743 285 E HN 0.091 nan 8.360 nan 0.000 0.453 286 R N -0.332 120.142 120.500 -0.044 0.000 2.073 286 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 286 R C 2.431 178.719 176.300 -0.021 0.000 1.120 286 R CA 1.010 57.099 56.100 -0.018 0.000 0.967 286 R CB -0.318 29.969 30.300 -0.021 0.000 0.862 286 R HN 0.191 nan 8.270 nan 0.000 0.436 287 L N 0.805 121.978 121.223 -0.084 0.000 2.056 287 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 287 L C 2.196 179.007 176.870 -0.098 0.000 1.078 287 L CA 1.832 56.615 54.840 -0.095 0.000 0.749 287 L CB -0.665 41.333 42.059 -0.103 0.000 0.901 287 L HN 0.120 nan 8.230 nan 0.000 0.433 288 A N -0.467 122.304 122.820 -0.083 0.000 1.908 288 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 288 A C 2.340 179.995 177.584 0.118 0.000 1.181 288 A CA 1.694 53.707 52.037 -0.040 0.000 0.627 288 A CB -1.597 17.292 19.000 -0.185 0.000 0.818 288 A HN 0.526 nan 8.150 nan 0.000 0.445 289 G N 0.111 109.035 108.800 0.207 0.000 2.408 289 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 289 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 289 G C 1.667 176.613 174.900 0.076 0.000 1.150 289 G CA 1.254 46.474 45.100 0.200 0.000 0.776 289 G HN 0.722 nan 8.290 nan 0.000 0.542 290 R N 0.410 120.932 120.500 0.037 0.000 2.092 290 R HA 0.156 4.496 4.340 -0.000 0.000 0.231 290 R C 2.215 178.523 176.300 0.015 0.000 1.119 290 R CA 1.224 57.334 56.100 0.017 0.000 0.970 290 R CB -0.733 29.571 30.300 0.007 0.000 0.864 290 R HN 0.356 nan 8.270 nan 0.000 0.440 291 I N 0.636 121.201 120.570 -0.009 0.000 2.361 291 I HA -0.174 3.995 4.170 -0.000 0.000 0.251 291 I C 1.516 177.658 176.117 0.041 0.000 1.133 291 I CA 1.129 62.427 61.300 -0.003 0.000 1.413 291 I CB -0.026 37.938 38.000 -0.060 0.000 1.073 291 I HN 0.201 nan 8.210 nan 0.000 0.424 292 L N 0.203 121.461 121.223 0.058 0.000 2.629 292 L HA 0.230 4.570 4.340 -0.000 0.000 0.230 292 L C 1.451 178.345 176.870 0.040 0.000 1.151 292 L CA 0.381 55.260 54.840 0.065 0.000 0.924 292 L CB -0.325 41.793 42.059 0.099 0.000 1.137 292 L HN 0.461 nan 8.230 nan 0.000 0.457 293 G N 0.075 108.895 108.800 0.033 0.000 2.148 293 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 293 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 293 G C 0.290 175.194 174.900 0.007 0.000 0.981 293 G CA 0.092 45.205 45.100 0.021 0.000 0.670 293 G HN 0.277 nan 8.290 nan 0.000 0.528 294 M N 0.085 119.687 119.600 0.003 0.000 2.342 294 M HA 0.520 5.000 4.480 -0.000 0.000 0.332 294 M C 1.298 177.588 176.300 -0.017 0.000 1.166 294 M CA 0.923 56.210 55.300 -0.022 0.000 1.086 294 M CB 1.312 33.878 32.600 -0.057 0.000 1.541 294 M HN 1.303 nan 8.290 nan 0.000 0.462 295 G N 1.988 110.771 108.800 -0.028 0.000 2.553 295 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.242 295 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.242 295 G C -0.833 174.060 174.900 -0.011 0.000 1.277 295 G CA -0.547 44.539 45.100 -0.023 0.000 0.910 295 G HN 0.654 nan 8.290 nan 0.000 0.576 296 D N 0.000 120.396 120.400 -0.007 0.000 6.856 296 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 296 D CA 0.000 54.001 54.000 0.001 0.000 0.868 296 D CB 0.000 40.801 40.800 0.002 0.000 0.688 296 D HN 0.000 nan 8.370 nan 0.000 0.683