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 1o9o_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG ASSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AK 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 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 1 M CB 0.000 32.603 32.600 0.006 0.000 1.302 2 I N 1.114 121.676 120.570 -0.013 0.000 2.321 2 I HA 0.317 4.503 4.170 0.027 0.000 0.291 2 I C 0.233 176.337 176.117 -0.022 0.000 0.998 2 I CA -0.460 60.830 61.300 -0.017 0.000 1.227 2 I CB 1.724 39.714 38.000 -0.018 0.000 1.368 2 I HN 0.565 nan 8.210 nan 0.000 0.466 3 S N 6.062 121.746 115.700 -0.028 0.000 2.465 3 S HA 0.239 4.725 4.470 0.027 0.000 0.279 3 S C 0.911 175.487 174.600 -0.039 0.000 1.201 3 S CA -0.590 57.586 58.200 -0.042 0.000 1.053 3 S CB 0.771 63.942 63.200 -0.048 0.000 0.953 3 S HN 0.674 nan 8.310 nan 0.000 0.488 4 L N 5.998 127.193 121.223 -0.046 0.000 1.994 4 L HA 0.028 4.384 4.340 0.027 0.000 0.208 4 L C 2.531 179.378 176.870 -0.038 0.000 1.071 4 L CA 2.011 56.827 54.840 -0.039 0.000 0.745 4 L CB -0.845 41.188 42.059 -0.044 0.000 0.892 4 L HN 0.857 nan 8.230 nan 0.000 0.431 5 A N -0.324 122.463 122.820 -0.055 0.000 1.908 5 A HA -0.345 3.991 4.320 0.027 0.000 0.218 5 A C 1.901 179.472 177.584 -0.022 0.000 1.181 5 A CA 2.236 54.248 52.037 -0.043 0.000 0.627 5 A CB -1.004 17.953 19.000 -0.073 0.000 0.818 5 A HN 0.678 nan 8.150 nan 0.000 0.445 6 D N -0.342 120.041 120.400 -0.027 0.000 2.092 6 D HA -0.146 4.510 4.640 0.027 0.000 0.193 6 D C 1.874 178.169 176.300 -0.007 0.000 0.994 6 D CA 1.493 55.485 54.000 -0.013 0.000 0.828 6 D CB -0.187 40.603 40.800 -0.016 0.000 0.963 6 D HN 0.425 nan 8.370 nan 0.000 0.450 7 L N 0.011 121.226 121.223 -0.012 0.000 2.012 7 L HA -0.219 4.137 4.340 0.027 0.000 0.210 7 L C 2.793 179.661 176.870 -0.003 0.000 1.073 7 L CA 1.299 56.135 54.840 -0.008 0.000 0.748 7 L CB -0.699 41.353 42.059 -0.012 0.000 0.891 7 L HN 0.247 nan 8.230 nan 0.000 0.431 8 Q N -0.167 119.631 119.800 -0.005 0.000 2.014 8 Q HA -0.268 4.088 4.340 0.027 0.000 0.207 8 Q C 2.439 178.443 176.000 0.008 0.000 0.993 8 Q CA 1.899 57.703 55.803 0.001 0.000 0.850 8 Q CB -0.168 28.570 28.738 0.001 0.000 0.916 8 Q HN 0.424 nan 8.270 nan 0.000 0.417 9 R N 0.075 120.581 120.500 0.010 0.000 2.096 9 R HA -0.139 4.217 4.340 0.027 0.000 0.240 9 R C 2.385 178.693 176.300 0.013 0.000 1.139 9 R CA 1.455 57.565 56.100 0.016 0.000 0.952 9 R CB -0.206 30.107 30.300 0.021 0.000 0.854 9 R HN 0.207 nan 8.270 nan 0.000 0.436 10 R N 0.214 120.720 120.500 0.009 0.000 2.081 10 R HA -0.087 4.269 4.340 0.027 0.000 0.235 10 R C 2.309 178.614 176.300 0.008 0.000 1.131 10 R CA 1.307 57.412 56.100 0.008 0.000 0.960 10 R CB -0.282 30.021 30.300 0.006 0.000 0.856 10 R HN 0.281 nan 8.270 nan 0.000 0.436 11 I N 0.282 120.857 120.570 0.007 0.000 2.353 11 I HA -0.202 3.984 4.170 0.027 0.000 0.248 11 I C 2.359 178.481 176.117 0.009 0.000 1.119 11 I CA 0.981 62.286 61.300 0.007 0.000 1.417 11 I CB -0.166 37.838 38.000 0.006 0.000 1.078 11 I HN 0.117 nan 8.210 nan 0.000 0.421 12 E N 1.139 121.345 120.200 0.011 0.000 2.110 12 E HA -0.196 4.170 4.350 0.027 0.000 0.193 12 E C 1.682 178.289 176.600 0.012 0.000 0.988 12 E CA 1.765 58.172 56.400 0.012 0.000 0.804 12 E CB -0.114 29.595 29.700 0.015 0.000 0.745 12 E HN 0.450 nan 8.360 nan 0.000 0.458 13 T N -2.840 111.721 114.554 0.012 0.000 3.312 13 T HA 0.343 4.709 4.350 0.027 0.000 0.251 13 T C 1.226 175.932 174.700 0.010 0.000 1.012 13 T CA 0.157 62.264 62.100 0.011 0.000 0.925 13 T CB -0.237 68.639 68.868 0.012 0.000 1.049 13 T HN 0.295 nan 8.240 nan 0.000 0.583 14 G N 1.548 110.353 108.800 0.009 0.000 2.309 14 G HA2 -0.359 3.617 3.960 0.027 0.000 0.286 14 G HA3 -0.359 3.617 3.960 0.027 0.000 0.286 14 G C 0.557 175.462 174.900 0.008 0.000 1.002 14 G CA 0.812 45.916 45.100 0.008 0.000 0.786 14 G HN 0.642 nan 8.290 nan 0.000 0.511 15 E N -1.618 118.587 120.200 0.008 0.000 2.170 15 E HA 0.254 4.620 4.350 0.027 0.000 0.191 15 E C 0.881 177.485 176.600 0.007 0.000 0.981 15 E CA 0.390 56.795 56.400 0.008 0.000 0.830 15 E CB 0.067 29.772 29.700 0.008 0.000 0.775 15 E HN 0.488 nan 8.360 nan 0.000 0.470 16 L N 0.411 121.638 121.223 0.007 0.000 2.401 16 L HA 0.339 4.696 4.340 0.027 0.000 0.266 16 L C -0.941 175.934 176.870 0.007 0.000 0.991 16 L CA -0.735 54.109 54.840 0.006 0.000 0.818 16 L CB 2.027 44.089 42.059 0.005 0.000 1.321 16 L HN -0.052 nan 8.230 nan 0.000 0.413 17 S N 3.449 119.154 115.700 0.008 0.000 2.554 17 S HA 0.608 5.094 4.470 0.027 0.000 0.278 17 S C -2.159 172.447 174.600 0.011 0.000 1.242 17 S CA -1.077 57.129 58.200 0.009 0.000 1.051 17 S CB 1.310 64.516 63.200 0.010 0.000 0.986 17 S HN 0.626 nan 8.310 nan 0.000 0.502 18 P HA -0.118 nan 4.420 nan 0.000 0.215 18 P C 1.191 178.503 177.300 0.019 0.000 1.157 18 P CA 1.161 64.269 63.100 0.013 0.000 0.874 18 P CB -0.010 31.698 31.700 0.013 0.000 0.790 19 N N -0.680 118.034 118.700 0.022 0.000 2.166 19 N HA -0.130 4.626 4.740 0.027 0.000 0.186 19 N C 1.674 177.205 175.510 0.036 0.000 1.019 19 N CA 1.533 54.601 53.050 0.031 0.000 0.856 19 N CB -0.646 37.855 38.487 0.024 0.000 0.993 19 N HN 0.091 nan 8.380 nan 0.000 0.426 20 A N 1.300 124.134 122.820 0.024 0.000 1.873 20 A HA 0.053 4.389 4.320 0.027 0.000 0.215 20 A C 2.446 180.043 177.584 0.022 0.000 1.186 20 A CA 1.781 53.832 52.037 0.022 0.000 0.616 20 A CB -0.829 18.180 19.000 0.014 0.000 0.823 20 A HN 0.301 nan 8.150 nan 0.000 0.442 21 A N 0.112 122.940 122.820 0.014 0.000 1.883 21 A HA -0.125 4.212 4.320 0.027 0.000 0.217 21 A C 2.026 179.608 177.584 -0.003 0.000 1.186 21 A CA 1.823 53.862 52.037 0.003 0.000 0.624 21 A CB -0.559 18.440 19.000 -0.001 0.000 0.822 21 A HN 0.413 nan 8.150 nan 0.000 0.444 22 I N -0.075 120.501 120.570 0.010 0.000 2.179 22 I HA -0.219 3.967 4.170 0.027 0.000 0.242 22 I C 2.953 179.105 176.117 0.059 0.000 1.088 22 I CA 1.418 62.718 61.300 -0.001 0.000 1.357 22 I CB -1.690 36.340 38.000 0.049 0.000 1.051 22 I HN 0.366 nan 8.210 nan 0.000 0.409 23 A N 0.114 123.013 122.820 0.132 0.000 1.978 23 A HA -0.249 4.087 4.320 0.027 0.000 0.220 23 A C 2.256 179.907 177.584 0.111 0.000 1.170 23 A CA 1.523 53.665 52.037 0.176 0.000 0.636 23 A CB -0.624 18.432 19.000 0.093 0.000 0.810 23 A HN 0.519 nan 8.150 nan 0.000 0.448 24 Q N -0.623 119.204 119.800 0.045 0.000 2.119 24 Q HA -0.091 4.265 4.340 0.027 0.000 0.201 24 Q C 2.423 178.419 176.000 -0.008 0.000 0.972 24 Q CA 1.617 57.430 55.803 0.018 0.000 0.847 24 Q CB -0.118 28.621 28.738 0.002 0.000 0.903 24 Q HN 0.658 nan 8.270 nan 0.000 0.433 25 S N -0.335 115.329 115.700 -0.059 0.000 2.368 25 S HA -0.132 4.354 4.470 0.027 0.000 0.224 25 S C 1.630 176.141 174.600 -0.148 0.000 1.029 25 S CA 0.740 58.861 58.200 -0.132 0.000 0.988 25 S CB -0.246 62.825 63.200 -0.215 0.000 0.838 25 S HN 0.438 nan 8.310 nan 0.000 0.462 26 H N 1.326 120.383 119.070 -0.020 0.000 2.387 26 H HA -0.008 4.565 4.556 0.027 0.000 0.299 26 H C 2.401 177.748 175.328 0.032 0.000 1.099 26 H CA 1.399 57.475 56.048 0.046 0.000 1.315 26 H CB -0.531 29.280 29.762 0.082 0.000 1.380 26 H HN 0.433 nan 8.280 nan 0.000 0.513 27 A N 1.052 123.945 122.820 0.122 0.000 1.854 27 A HA 0.000 4.336 4.320 0.027 0.000 0.214 27 A C 2.737 180.335 177.584 0.023 0.000 1.192 27 A CA 1.541 53.617 52.037 0.064 0.000 0.611 27 A CB -0.887 18.139 19.000 0.044 0.000 0.832 27 A HN 0.407 nan 8.150 nan 0.000 0.442 28 A N 0.084 122.902 122.820 -0.004 0.000 1.917 28 A HA -0.161 4.175 4.320 0.027 0.000 0.219 28 A C 2.124 179.688 177.584 -0.033 0.000 1.182 28 A CA 1.751 53.774 52.037 -0.022 0.000 0.633 28 A CB -0.696 18.284 19.000 -0.033 0.000 0.819 28 A HN 0.529 nan 8.150 nan 0.000 0.448 29 I N -0.789 119.734 120.570 -0.079 0.000 2.110 29 I HA -0.204 3.982 4.170 0.027 0.000 0.236 29 I C 2.554 178.648 176.117 -0.037 0.000 1.068 29 I CA 1.372 62.594 61.300 -0.130 0.000 1.333 29 I CB -0.526 37.185 38.000 -0.481 0.000 1.054 29 I HN 0.261 nan 8.210 nan 0.000 0.402 30 E N 1.089 121.302 120.200 0.021 0.000 2.097 30 E HA -0.263 4.103 4.350 0.027 0.000 0.196 30 E C 2.288 178.904 176.600 0.027 0.000 1.000 30 E CA 1.571 58.003 56.400 0.054 0.000 0.804 30 E CB -0.418 29.324 29.700 0.071 0.000 0.740 30 E HN 0.525 nan 8.360 nan 0.000 0.454 31 A N 0.914 123.742 122.820 0.014 0.000 1.986 31 A HA -0.191 4.145 4.320 0.027 0.000 0.220 31 A C 1.906 179.487 177.584 -0.005 0.000 1.171 31 A CA 1.670 53.710 52.037 0.004 0.000 0.640 31 A CB -0.184 18.815 19.000 -0.002 0.000 0.811 31 A HN 0.153 nan 8.150 nan 0.000 0.451 32 R N -2.193 118.302 120.500 -0.008 0.000 2.541 32 R HA 0.133 4.489 4.340 0.027 0.000 0.332 32 R C 1.009 177.292 176.300 -0.029 0.000 0.951 32 R CA -0.187 55.898 56.100 -0.024 0.000 1.136 32 R CB 0.191 30.469 30.300 -0.036 0.000 1.449 32 R HN 0.263 nan 8.270 nan 0.000 0.531 33 E N 2.035 122.243 120.200 0.012 0.000 2.085 33 E HA -0.149 4.217 4.350 0.027 0.000 0.194 33 E C 1.084 177.699 176.600 0.026 0.000 0.994 33 E CA 1.352 57.781 56.400 0.049 0.000 0.801 33 E CB 0.189 29.953 29.700 0.107 0.000 0.743 33 E HN 0.229 nan 8.360 nan 0.000 0.453 34 K N 0.387 120.810 120.400 0.038 0.000 2.515 34 K HA -0.109 4.227 4.320 0.027 0.000 0.196 34 K C 1.890 178.441 176.600 -0.081 0.000 1.038 34 K CA 0.675 57.012 56.287 0.083 0.000 0.967 34 K CB 0.159 32.706 32.500 0.078 0.000 0.780 34 K HN 0.174 nan 8.250 nan 0.000 0.483 35 E N 0.046 120.109 120.200 -0.229 0.000 2.290 35 E HA -0.035 4.331 4.350 0.027 0.000 0.199 35 E C 1.446 177.754 176.600 -0.486 0.000 0.912 35 E CA 0.283 56.514 56.400 -0.282 0.000 0.924 35 E CB 0.616 30.238 29.700 -0.130 0.000 0.901 35 E HN 0.011 nan 8.360 nan 0.000 0.487 36 V N 0.159 119.819 119.914 -0.423 0.000 2.795 36 V HA 0.032 4.168 4.120 0.027 0.000 0.243 36 V C -0.009 175.932 176.094 -0.255 0.000 1.069 36 V CA 1.115 63.238 62.300 -0.295 0.000 1.089 36 V CB -0.617 31.135 31.823 -0.118 0.000 0.756 36 V HN 0.416 nan 8.190 nan 0.000 0.471 37 H N -0.674 118.422 119.070 0.044 0.000 2.819 37 H HA -0.173 4.399 4.556 0.027 0.000 0.323 37 H C 1.247 176.590 175.328 0.025 0.000 1.243 37 H CA 0.171 56.248 56.048 0.049 0.000 1.163 37 H CB -1.423 28.357 29.762 0.029 0.000 1.493 37 H HN 0.481 nan 8.280 nan 0.000 0.434 38 A N -0.241 122.641 122.820 0.103 0.000 2.081 38 A HA 0.231 4.567 4.320 0.027 0.000 0.214 38 A C 0.449 177.898 177.584 -0.226 0.000 1.158 38 A CA 0.456 52.444 52.037 -0.080 0.000 0.724 38 A CB 0.379 19.285 19.000 -0.158 0.000 0.826 38 A HN 0.247 nan 8.150 nan 0.000 0.463 39 F N -1.516 118.440 119.950 0.009 0.000 2.443 39 F HA 0.405 4.948 4.527 0.027 0.000 0.335 39 F C 1.202 177.022 175.800 0.034 0.000 1.104 39 F CA -0.426 57.581 58.000 0.012 0.000 1.013 39 F CB 1.908 40.915 39.000 0.012 0.000 1.136 39 F HN -0.159 nan 8.300 nan 0.000 0.470 40 V N 2.045 122.066 119.914 0.178 0.000 2.488 40 V HA -0.000 4.136 4.120 0.027 0.000 0.246 40 V C 0.397 176.584 176.094 0.156 0.000 1.046 40 V CA 1.109 63.480 62.300 0.120 0.000 1.053 40 V CB -0.581 31.284 31.823 0.070 0.000 0.679 40 V HN 0.751 nan 8.190 nan 0.000 0.458 41 R N -0.189 120.446 120.500 0.224 0.000 2.561 41 R HA 0.429 4.785 4.340 0.027 0.000 0.266 41 R C -1.172 175.281 176.300 0.255 0.000 1.091 41 R CA -0.635 55.581 56.100 0.192 0.000 0.927 41 R CB 1.036 31.410 30.300 0.124 0.000 1.240 41 R HN 0.378 nan 8.270 nan 0.000 0.449 42 H N 1.849 120.929 119.070 0.017 0.000 2.587 42 H HA 0.170 4.742 4.556 0.027 0.000 0.325 42 H C -1.210 174.088 175.328 -0.049 0.000 1.012 42 H CA -0.721 55.252 56.048 -0.126 0.000 1.213 42 H CB 1.818 31.410 29.762 -0.284 0.000 1.431 42 H HN 0.703 nan 8.280 nan 0.000 0.492 43 D N 5.176 125.685 120.400 0.182 0.000 2.453 43 D HA 0.023 4.679 4.640 0.027 0.000 0.223 43 D C 0.706 176.996 176.300 -0.017 0.000 1.183 43 D CA -0.257 53.768 54.000 0.042 0.000 0.933 43 D CB 0.761 41.614 40.800 0.088 0.000 1.038 43 D HN 0.545 nan 8.370 nan 0.000 0.513 44 K N 1.225 121.415 120.400 -0.350 0.000 2.360 44 K HA -0.090 4.246 4.320 0.027 0.000 0.201 44 K C 1.470 177.845 176.600 -0.376 0.000 1.046 44 K CA 0.804 56.803 56.287 -0.479 0.000 0.945 44 K CB 0.031 32.233 32.500 -0.497 0.000 0.750 44 K HN 0.431 nan 8.250 nan 0.000 0.464 45 S N 0.075 115.670 115.700 -0.175 0.000 2.593 45 S HA 0.175 4.661 4.470 0.027 0.000 0.217 45 S C 0.839 175.423 174.600 -0.027 0.000 0.966 45 S CA -0.306 57.820 58.200 -0.123 0.000 0.914 45 S CB 0.051 63.204 63.200 -0.078 0.000 0.776 45 S HN 0.191 nan 8.310 nan 0.000 0.523 46 A N 2.149 125.021 122.820 0.087 0.000 2.546 46 A HA 0.456 4.793 4.320 0.027 0.000 0.243 46 A C 0.476 178.184 177.584 0.207 0.000 1.063 46 A CA -0.116 52.019 52.037 0.164 0.000 0.757 46 A CB 0.086 19.219 19.000 0.221 0.000 0.991 46 A HN 0.637 nan 8.150 nan 0.000 0.503 47 R N 1.381 121.948 120.500 0.113 0.000 2.854 47 R HA 0.643 4.999 4.340 0.027 0.000 0.271 47 R C 0.011 176.350 176.300 0.064 0.000 0.994 47 R CA -0.506 55.651 56.100 0.094 0.000 0.945 47 R CB 1.935 32.264 30.300 0.048 0.000 1.194 47 R HN 0.867 nan 8.270 nan 0.000 0.476 48 A N 1.482 124.334 122.820 0.053 0.000 2.507 48 A HA 0.053 4.389 4.320 0.027 0.000 0.235 48 A C -0.123 177.476 177.584 0.025 0.000 1.070 48 A CA 0.198 52.255 52.037 0.033 0.000 0.768 48 A CB 0.290 19.307 19.000 0.028 0.000 1.011 48 A HN 0.588 nan 8.150 nan 0.000 0.502 49 Q N -0.277 119.535 119.800 0.019 0.000 2.193 49 Q HA 0.485 4.842 4.340 0.027 0.000 0.246 49 Q C 1.227 177.235 176.000 0.013 0.000 0.959 49 Q CA -0.097 55.715 55.803 0.016 0.000 0.904 49 Q CB 1.658 30.405 28.738 0.014 0.000 1.238 49 Q HN 0.843 nan 8.270 nan 0.000 0.469 50 A N 1.135 123.962 122.820 0.012 0.000 1.873 50 A HA -0.068 4.268 4.320 0.027 0.000 0.215 50 A C 0.936 178.526 177.584 0.010 0.000 1.186 50 A CA 1.650 53.693 52.037 0.010 0.000 0.616 50 A CB -0.086 18.919 19.000 0.009 0.000 0.823 50 A HN 0.690 nan 8.150 nan 0.000 0.442 51 S N -3.193 112.513 115.700 0.010 0.000 2.709 51 S HA 0.691 5.177 4.470 0.027 0.000 0.302 51 S C -0.077 174.529 174.600 0.010 0.000 1.127 51 S CA -0.039 58.167 58.200 0.010 0.000 0.905 51 S CB 1.340 64.545 63.200 0.009 0.000 1.151 51 S HN 2.147 nan 8.310 nan 0.000 0.510 52 G N 1.118 109.924 108.800 0.010 0.000 2.674 52 G HA2 0.059 4.035 3.960 0.027 0.000 0.686 52 G HA3 0.059 4.035 3.960 0.027 0.000 0.686 52 G C -2.063 172.843 174.900 0.010 0.000 1.195 52 G CA -0.306 44.801 45.100 0.011 0.000 0.776 52 G HN 0.599 nan 8.290 nan 0.000 0.654 53 P HA -0.074 nan 4.420 nan 0.000 0.221 53 P C 1.452 178.756 177.300 0.005 0.000 1.145 53 P CA 1.070 64.176 63.100 0.010 0.000 0.795 53 P CB 0.176 31.884 31.700 0.013 0.000 0.775 54 L N -0.363 120.862 121.223 0.004 0.000 2.741 54 L HA 0.191 4.547 4.340 0.027 0.000 0.237 54 L C 1.223 178.095 176.870 0.003 0.000 1.178 54 L CA -0.592 54.248 54.840 0.001 0.000 0.973 54 L CB -0.382 41.676 42.059 -0.001 0.000 1.255 54 L HN -0.016 nan 8.230 nan 0.000 0.498 55 R N -0.018 120.485 120.500 0.005 0.000 2.489 55 R HA 0.373 4.729 4.340 0.027 0.000 0.287 55 R C 0.854 177.158 176.300 0.005 0.000 1.053 55 R CA 0.585 56.689 56.100 0.007 0.000 1.036 55 R CB 0.262 30.567 30.300 0.009 0.000 0.966 55 R HN 0.165 nan 8.270 nan 0.000 0.432 56 G N 2.609 111.412 108.800 0.006 0.000 2.176 56 G HA2 -0.209 3.767 3.960 0.027 0.000 0.253 56 G HA3 -0.209 3.767 3.960 0.027 0.000 0.253 56 G C 0.007 174.903 174.900 -0.006 0.000 0.979 56 G CA -0.023 45.079 45.100 0.003 0.000 0.641 56 G HN 0.552 nan 8.290 nan 0.000 0.530 57 I N 1.920 122.486 120.570 -0.007 0.000 2.301 57 I HA 0.616 4.802 4.170 0.027 0.000 0.292 57 I C 0.917 177.024 176.117 -0.017 0.000 1.046 57 I CA -0.925 60.368 61.300 -0.013 0.000 1.282 57 I CB 0.429 38.423 38.000 -0.009 0.000 1.409 57 I HN 0.351 nan 8.210 nan 0.000 0.484 58 A N 7.275 130.075 122.820 -0.033 0.000 2.328 58 A HA 0.651 4.987 4.320 0.027 0.000 0.284 58 A C -0.178 177.398 177.584 -0.013 0.000 1.160 58 A CA -0.331 51.678 52.037 -0.046 0.000 0.818 58 A CB 0.632 19.564 19.000 -0.113 0.000 1.087 58 A HN 0.479 nan 8.150 nan 0.000 0.504 59 V N 1.890 121.811 119.914 0.011 0.000 2.656 59 V HA 0.684 4.820 4.120 0.027 0.000 0.307 59 V C 0.722 176.859 176.094 0.072 0.000 1.051 59 V CA -0.285 62.036 62.300 0.035 0.000 0.893 59 V CB 1.916 33.756 31.823 0.028 0.000 0.999 59 V HN 1.158 nan 8.190 nan 0.000 0.426 60 G N 4.126 112.966 108.800 0.068 0.000 2.367 60 G HA2 0.676 4.652 3.960 0.027 0.000 0.314 60 G HA3 0.676 4.652 3.960 0.027 0.000 0.314 60 G C -0.869 174.035 174.900 0.006 0.000 1.130 60 G CA -0.409 44.728 45.100 0.061 0.000 0.864 60 G HN 0.430 nan 8.290 nan 0.000 0.486 61 I N 1.656 122.235 120.570 0.014 0.000 2.410 61 I HA 0.269 4.455 4.170 0.027 0.000 0.286 61 I C 0.435 176.540 176.117 -0.018 0.000 1.009 61 I CA -1.184 60.123 61.300 0.012 0.000 1.111 61 I CB 1.506 39.530 38.000 0.041 0.000 1.262 61 I HN 0.545 nan 8.210 nan 0.000 0.443 62 K N 3.959 124.343 120.400 -0.026 0.000 2.511 62 K HA -0.131 4.205 4.320 0.027 0.000 0.280 62 K C 0.477 177.072 176.600 -0.008 0.000 1.008 62 K CA 0.290 56.555 56.287 -0.037 0.000 1.050 62 K CB 0.521 33.020 32.500 -0.000 0.000 0.889 62 K HN 0.430 nan 8.250 nan 0.000 0.484 63 D N 4.153 124.540 120.400 -0.021 0.000 2.396 63 D HA -0.026 4.630 4.640 0.027 0.000 0.255 63 D C 0.781 177.080 176.300 -0.001 0.000 1.224 63 D CA 0.393 54.392 54.000 -0.000 0.000 0.894 63 D CB -0.255 40.542 40.800 -0.004 0.000 0.939 63 D HN 0.581 nan 8.370 nan 0.000 0.506 64 I N -3.597 116.978 120.570 0.009 0.000 4.154 64 I HA 0.306 4.493 4.170 0.027 0.000 0.334 64 I C 0.081 176.225 176.117 0.045 0.000 1.371 64 I CA -0.277 61.029 61.300 0.010 0.000 1.110 64 I CB 0.366 38.380 38.000 0.023 0.000 1.085 64 I HN -0.229 nan 8.210 nan 0.000 0.398 65 I N 3.099 123.699 120.570 0.050 0.000 2.312 65 I HA 0.257 4.443 4.170 0.027 0.000 0.290 65 I C -0.520 175.636 176.117 0.064 0.000 1.008 65 I CA -0.533 60.803 61.300 0.060 0.000 1.226 65 I CB 0.729 38.762 38.000 0.054 0.000 1.371 65 I HN 0.006 nan 8.210 nan 0.000 0.468 66 D N 5.030 125.475 120.400 0.075 0.000 2.533 66 D HA 0.101 4.757 4.640 0.027 0.000 0.236 66 D C 0.180 176.506 176.300 0.044 0.000 1.137 66 D CA 0.663 54.707 54.000 0.073 0.000 0.867 66 D CB 0.736 41.586 40.800 0.084 0.000 1.170 66 D HN 0.545 nan 8.370 nan 0.000 0.474 67 T N -1.706 112.863 114.554 0.026 0.000 2.886 67 T HA 0.629 4.995 4.350 0.027 0.000 0.292 67 T C 0.732 175.420 174.700 -0.020 0.000 1.012 67 T CA -0.913 61.194 62.100 0.012 0.000 0.982 67 T CB 1.975 70.857 68.868 0.023 0.000 1.018 67 T HN 0.175 nan 8.240 nan 0.000 0.451 68 A N 2.474 125.281 122.820 -0.022 0.000 2.016 68 A HA 0.033 4.369 4.320 0.027 0.000 0.217 68 A C 1.983 179.538 177.584 -0.049 0.000 1.162 68 A CA 0.831 52.841 52.037 -0.045 0.000 0.662 68 A CB -0.455 18.526 19.000 -0.030 0.000 0.812 68 A HN 0.900 nan 8.150 nan 0.000 0.450 69 N N -1.191 117.493 118.700 -0.027 0.000 2.236 69 N HA 0.168 4.924 4.740 0.027 0.000 0.196 69 N C 0.026 175.526 175.510 -0.017 0.000 1.114 69 N CA 0.132 53.169 53.050 -0.022 0.000 0.859 69 N CB 0.186 38.669 38.487 -0.005 0.000 0.982 69 N HN 0.420 nan 8.380 nan 0.000 0.493 70 M N 0.111 119.701 119.600 -0.016 0.000 2.484 70 M HA 0.444 4.940 4.480 0.027 0.000 0.289 70 M C -2.877 173.414 176.300 -0.015 0.000 1.206 70 M CA -1.888 53.412 55.300 -0.001 0.000 0.892 70 M CB 3.041 35.661 32.600 0.033 0.000 1.712 70 M HN -0.316 nan 8.290 nan 0.000 0.462 71 P HA 0.114 nan 4.420 nan 0.000 0.270 71 P C -0.905 176.425 177.300 0.049 0.000 1.223 71 P CA -0.008 63.093 63.100 0.001 0.000 0.785 71 P CB 0.490 32.212 31.700 0.037 0.000 0.923 72 T N 1.595 116.211 114.554 0.102 0.000 3.009 72 T HA 0.175 4.541 4.350 0.027 0.000 0.346 72 T C 0.396 175.244 174.700 0.247 0.000 1.092 72 T CA -0.300 61.891 62.100 0.151 0.000 1.080 72 T CB 0.195 69.165 68.868 0.171 0.000 1.037 72 T HN 0.340 nan 8.240 nan 0.000 0.487 73 E N 3.069 123.359 120.200 0.151 0.000 2.479 73 E HA 0.064 4.430 4.350 0.027 0.000 0.193 73 E C 0.818 177.419 176.600 0.001 0.000 1.049 73 E CA -0.136 56.357 56.400 0.155 0.000 0.870 73 E CB 0.009 29.777 29.700 0.114 0.000 0.944 73 E HN 0.487 nan 8.360 nan 0.000 0.492 74 M N -1.213 118.328 119.600 -0.098 0.000 2.843 74 M HA -0.255 4.241 4.480 0.027 0.000 0.171 74 M C 1.162 177.244 176.300 -0.363 0.000 0.656 74 M CA 1.405 56.539 55.300 -0.277 0.000 0.629 74 M CB -2.787 29.490 32.600 -0.539 0.000 2.287 74 M HN 0.466 nan 8.290 nan 0.000 0.348 75 G N -0.007 108.661 108.800 -0.220 0.000 2.155 75 G HA2 -0.244 3.732 3.960 0.027 0.000 0.257 75 G HA3 -0.244 3.732 3.960 0.027 0.000 0.257 75 G C 0.090 174.821 174.900 -0.281 0.000 0.983 75 G CA 1.024 45.996 45.100 -0.213 0.000 0.676 75 G HN 1.047 nan 8.290 nan 0.000 0.528 76 S N -1.197 114.318 115.700 -0.307 0.000 2.542 76 S HA 0.611 5.097 4.470 0.027 0.000 0.293 76 S C 1.162 175.743 174.600 -0.033 0.000 1.089 76 S CA 0.278 58.329 58.200 -0.248 0.000 0.961 76 S CB 1.401 64.304 63.200 -0.495 0.000 1.062 76 S HN 0.290 nan 8.310 nan 0.000 0.483 77 E N 2.612 122.810 120.200 -0.004 0.000 2.208 77 E HA -0.023 4.343 4.350 0.027 0.000 0.193 77 E C 1.427 178.048 176.600 0.036 0.000 0.988 77 E CA 0.857 57.270 56.400 0.022 0.000 0.828 77 E CB -0.160 29.547 29.700 0.012 0.000 0.763 77 E HN 0.676 nan 8.360 nan 0.000 0.478 78 I N 0.166 120.771 120.570 0.059 0.000 2.423 78 I HA -0.257 3.929 4.170 0.027 0.000 0.254 78 I C 0.973 177.028 176.117 -0.104 0.000 1.151 78 I CA 1.232 62.519 61.300 -0.022 0.000 1.421 78 I CB -0.000 38.074 38.000 0.123 0.000 1.079 78 I HN 0.144 nan 8.210 nan 0.000 0.431 79 Y N 0.074 120.388 120.300 0.023 0.000 2.696 79 Y HA 0.276 4.842 4.550 0.027 0.000 0.260 79 Y C 0.926 176.905 175.900 0.132 0.000 1.165 79 Y CA -0.654 57.489 58.100 0.071 0.000 1.189 79 Y CB -0.074 38.413 38.460 0.046 0.000 1.180 79 Y HN -0.026 nan 8.280 nan 0.000 0.538 80 R N 0.770 121.374 120.500 0.173 0.000 2.502 80 R HA 0.211 4.567 4.340 0.027 0.000 0.292 80 R C 1.206 177.602 176.300 0.160 0.000 0.998 80 R CA 1.345 57.526 56.100 0.135 0.000 1.056 80 R CB -0.121 30.224 30.300 0.076 0.000 0.939 80 R HN 0.662 nan 8.270 nan 0.000 0.411 81 G N 4.291 113.182 108.800 0.153 0.000 2.168 81 G HA2 -0.285 3.691 3.960 0.027 0.000 0.263 81 G HA3 -0.285 3.691 3.960 0.027 0.000 0.263 81 G C 0.012 175.020 174.900 0.179 0.000 0.977 81 G CA 0.233 45.409 45.100 0.128 0.000 0.659 81 G HN 0.804 nan 8.290 nan 0.000 0.533 82 W N 1.077 122.426 121.300 0.082 0.000 2.308 82 W HA 0.569 5.245 4.660 0.026 0.000 0.324 82 W C -0.004 176.564 176.519 0.083 0.000 1.387 82 W CA -0.094 57.312 57.345 0.103 0.000 1.250 82 W CB 0.810 30.413 29.460 0.239 0.000 1.257 82 W HN 0.205 nan 8.180 nan 0.000 0.554 83 Q N 8.237 127.509 119.800 -0.880 0.000 2.363 83 Q HA 0.398 4.754 4.340 0.027 0.000 0.265 83 Q C -2.491 172.899 176.000 -1.017 0.000 1.032 83 Q CA -2.105 53.264 55.803 -0.724 0.000 0.746 83 Q CB 1.597 30.108 28.738 -0.378 0.000 1.237 83 Q HN 0.147 nan 8.270 nan 0.000 0.475 84 P HA 0.163 nan 4.420 nan 0.000 0.272 84 P C -0.266 176.886 177.300 -0.247 0.000 1.223 84 P CA -0.275 62.598 63.100 -0.379 0.000 0.784 84 P CB 0.943 32.593 31.700 -0.082 0.000 0.923 85 R N 1.409 121.823 120.500 -0.143 0.000 2.119 85 R HA 0.022 4.378 4.340 0.027 0.000 0.222 85 R C 0.505 176.774 176.300 -0.053 0.000 1.088 85 R CA 1.251 57.294 56.100 -0.094 0.000 0.984 85 R CB -0.192 30.078 30.300 -0.050 0.000 0.884 85 R HN 0.633 nan 8.270 nan 0.000 0.447 86 S N -1.141 114.543 115.700 -0.027 0.000 2.715 86 S HA 0.454 4.940 4.470 0.027 0.000 0.307 86 S C -1.074 173.527 174.600 0.001 0.000 1.119 86 S CA -1.178 57.017 58.200 -0.008 0.000 0.937 86 S CB 1.755 64.959 63.200 0.007 0.000 1.150 86 S HN 0.020 nan 8.310 nan 0.000 0.521 87 D N 1.100 121.505 120.400 0.008 0.000 2.210 87 D HA 0.542 5.198 4.640 0.027 0.000 0.249 87 D C 0.274 176.589 176.300 0.025 0.000 1.062 87 D CA -0.021 53.988 54.000 0.016 0.000 0.891 87 D CB 1.645 42.454 40.800 0.014 0.000 1.186 87 D HN 0.823 nan 8.370 nan 0.000 0.432 88 A N 3.406 126.247 122.820 0.033 0.000 2.483 88 A HA 0.208 4.544 4.320 0.027 0.000 0.238 88 A C -1.405 176.197 177.584 0.031 0.000 1.070 88 A CA -0.751 51.309 52.037 0.038 0.000 0.770 88 A CB 0.141 19.168 19.000 0.046 0.000 1.008 88 A HN 0.335 nan 8.150 nan 0.000 0.497 89 P HA -0.179 nan 4.420 nan 0.000 0.216 89 P C 1.541 178.854 177.300 0.022 0.000 1.150 89 P CA 2.037 65.151 63.100 0.023 0.000 0.843 89 P CB -0.210 31.503 31.700 0.022 0.000 0.787 90 V N -3.763 116.166 119.914 0.025 0.000 2.515 90 V HA -0.154 3.982 4.120 0.027 0.000 0.250 90 V C 2.067 178.174 176.094 0.022 0.000 1.058 90 V CA 1.645 63.959 62.300 0.022 0.000 1.064 90 V CB -1.723 30.116 31.823 0.027 0.000 0.675 90 V HN -0.050 nan 8.190 nan 0.000 0.461 91 V N -0.209 119.721 119.914 0.026 0.000 2.427 91 V HA -0.159 3.977 4.120 0.027 0.000 0.248 91 V C 2.715 178.822 176.094 0.021 0.000 1.051 91 V CA 2.136 64.452 62.300 0.026 0.000 1.048 91 V CB -0.568 31.273 31.823 0.029 0.000 0.666 91 V HN 0.403 nan 8.190 nan 0.000 0.456 92 M N -1.140 118.472 119.600 0.019 0.000 2.254 92 M HA -0.060 4.436 4.480 0.027 0.000 0.265 92 M C 2.125 178.433 176.300 0.015 0.000 1.066 92 M CA 1.651 56.961 55.300 0.016 0.000 1.123 92 M CB -0.869 31.740 32.600 0.016 0.000 1.388 92 M HN 0.334 nan 8.290 nan 0.000 0.425 93 M N -0.496 119.113 119.600 0.014 0.000 2.175 93 M HA -0.181 4.315 4.480 0.027 0.000 0.264 93 M C 2.049 178.354 176.300 0.009 0.000 1.063 93 M CA 1.343 56.650 55.300 0.012 0.000 1.119 93 M CB -0.382 32.224 32.600 0.010 0.000 1.377 93 M HN 0.197 nan 8.290 nan 0.000 0.415 94 L N -0.285 120.944 121.223 0.009 0.000 2.068 94 L HA -0.154 4.202 4.340 0.027 0.000 0.204 94 L C 2.449 179.326 176.870 0.011 0.000 1.076 94 L CA 1.128 55.973 54.840 0.008 0.000 0.753 94 L CB -0.603 41.463 42.059 0.012 0.000 0.910 94 L HN 0.225 nan 8.230 nan 0.000 0.439 95 K N 0.155 120.563 120.400 0.014 0.000 2.097 95 K HA -0.148 4.188 4.320 0.027 0.000 0.206 95 K C 2.226 178.833 176.600 0.012 0.000 1.049 95 K CA 1.176 57.471 56.287 0.014 0.000 0.933 95 K CB -0.180 32.329 32.500 0.015 0.000 0.717 95 K HN 0.276 nan 8.250 nan 0.000 0.442 96 R N 0.464 120.971 120.500 0.012 0.000 2.115 96 R HA -0.048 4.308 4.340 0.027 0.000 0.230 96 R C 2.160 178.467 176.300 0.011 0.000 1.111 96 R CA 1.091 57.198 56.100 0.012 0.000 0.976 96 R CB -0.214 30.094 30.300 0.012 0.000 0.870 96 R HN 0.164 nan 8.270 nan 0.000 0.445 97 A N -0.198 122.628 122.820 0.010 0.000 2.206 97 A HA 0.162 4.498 4.320 0.027 0.000 0.211 97 A C 1.430 179.019 177.584 0.009 0.000 1.158 97 A CA 1.021 53.063 52.037 0.009 0.000 0.761 97 A CB 0.016 19.019 19.000 0.006 0.000 0.801 97 A HN 0.470 nan 8.150 nan 0.000 0.473 98 G N -2.395 106.411 108.800 0.010 0.000 2.179 98 G HA2 0.154 4.130 3.960 0.027 0.000 0.220 98 G HA3 0.154 4.130 3.960 0.027 0.000 0.220 98 G C 0.484 175.390 174.900 0.010 0.000 0.990 98 G CA 0.207 45.313 45.100 0.010 0.000 0.646 98 G HN 1.470 nan 8.290 nan 0.000 0.517 99 A N -0.183 122.642 122.820 0.009 0.000 2.429 99 A HA 0.649 4.985 4.320 0.027 0.000 0.242 99 A C 0.622 178.214 177.584 0.014 0.000 1.088 99 A CA 1.353 53.395 52.037 0.009 0.000 0.784 99 A CB 0.351 19.356 19.000 0.009 0.000 1.038 99 A HN 0.828 nan 8.150 nan 0.000 0.501 100 T N 2.354 116.916 114.554 0.013 0.000 2.809 100 T HA 0.383 4.749 4.350 0.027 0.000 0.296 100 T C -0.157 174.557 174.700 0.024 0.000 1.015 100 T CA -0.227 61.885 62.100 0.020 0.000 0.954 100 T CB 0.373 69.249 68.868 0.014 0.000 0.950 100 T HN 0.374 nan 8.240 nan 0.000 0.450 101 I N 4.692 125.285 120.570 0.038 0.000 2.357 101 I HA 0.173 4.359 4.170 0.027 0.000 0.300 101 I C 1.368 177.527 176.117 0.070 0.000 1.159 101 I CA -0.152 61.179 61.300 0.053 0.000 1.339 101 I CB -0.417 37.614 38.000 0.052 0.000 1.458 101 I HN 0.746 nan 8.210 nan 0.000 0.577 102 I N 4.297 124.903 120.570 0.061 0.000 3.111 102 I HA 0.081 4.267 4.170 0.027 0.000 0.272 102 I C 0.990 177.176 176.117 0.115 0.000 1.268 102 I CA 0.479 61.808 61.300 0.049 0.000 1.467 102 I CB 0.310 38.242 38.000 -0.113 0.000 1.087 102 I HN 0.735 nan 8.210 nan 0.000 0.467 103 G N 0.115 109.031 108.800 0.194 0.000 2.320 103 G HA2 0.139 4.115 3.960 0.027 0.000 0.297 103 G HA3 0.139 4.115 3.960 0.027 0.000 0.297 103 G C -1.773 173.314 174.900 0.312 0.000 1.344 103 G CA -0.847 44.423 45.100 0.283 0.000 0.851 103 G HN -0.175 nan 8.290 nan 0.000 0.567 104 K N 1.515 122.092 120.400 0.294 0.000 2.265 104 K HA 0.593 4.929 4.320 0.027 0.000 0.267 104 K C 0.337 176.971 176.600 0.057 0.000 0.994 104 K CA -0.471 55.900 56.287 0.140 0.000 0.860 104 K CB 1.345 33.905 32.500 0.100 0.000 1.099 104 K HN 0.891 nan 8.250 nan 0.000 0.448 105 T N -1.173 113.286 114.554 -0.159 0.000 2.913 105 T HA 0.206 4.572 4.350 0.027 0.000 0.287 105 T C 0.721 175.306 174.700 -0.192 0.000 1.008 105 T CA -0.717 61.154 62.100 -0.380 0.000 1.067 105 T CB 0.577 69.128 68.868 -0.528 0.000 0.996 105 T HN 0.574 nan 8.240 nan 0.000 0.513 106 T N -0.121 114.327 114.554 -0.177 0.000 2.906 106 T HA 0.381 4.748 4.350 0.027 0.000 0.320 106 T C 0.210 174.853 174.700 -0.094 0.000 1.088 106 T CA -0.410 61.633 62.100 -0.096 0.000 1.120 106 T CB 0.548 69.376 68.868 -0.066 0.000 1.000 106 T HN 1.025 nan 8.240 nan 0.000 0.550 107 T N 0.948 115.461 114.554 -0.068 0.000 2.923 107 T HA 0.543 4.909 4.350 0.027 0.000 0.311 107 T C -0.019 174.645 174.700 -0.060 0.000 1.183 107 T CA -0.331 61.735 62.100 -0.057 0.000 1.020 107 T CB 1.303 70.140 68.868 -0.052 0.000 1.165 107 T HN 1.173 nan 8.240 nan 0.000 0.482 108 T N 1.974 116.508 114.554 -0.034 0.000 2.903 108 T HA 0.531 4.897 4.350 0.027 0.000 0.314 108 T C 0.857 175.498 174.700 -0.099 0.000 1.078 108 T CA -0.253 61.824 62.100 -0.038 0.000 1.114 108 T CB 0.198 69.071 68.868 0.009 0.000 0.987 108 T HN 1.082 nan 8.240 nan 0.000 0.548 109 A N 2.250 124.988 122.820 -0.137 0.000 2.553 109 A HA 0.376 4.712 4.320 0.027 0.000 0.258 109 A C 0.598 178.041 177.584 -0.236 0.000 1.069 109 A CA -0.397 51.456 52.037 -0.307 0.000 0.767 109 A CB -1.483 17.383 19.000 -0.224 0.000 0.997 109 A HN 1.102 nan 8.150 nan 0.000 0.512 110 F N 0.364 120.248 119.950 -0.111 0.000 3.093 110 F HA -0.271 4.272 4.527 0.026 0.000 0.287 110 F C 1.382 177.059 175.800 -0.206 0.000 0.882 110 F CA 1.203 59.097 58.000 -0.176 0.000 1.063 110 F CB -1.998 36.867 39.000 -0.226 0.000 1.097 110 F HN 1.792 nan 8.300 nan 0.000 0.604 111 A N -1.044 121.774 122.820 -0.004 0.000 2.822 111 A HA -0.166 4.170 4.320 0.027 0.000 0.287 111 A C 1.045 178.688 177.584 0.099 0.000 1.479 111 A CA 1.312 53.389 52.037 0.066 0.000 0.779 111 A CB -1.628 17.464 19.000 0.153 0.000 1.022 111 A HN 0.797 nan 8.150 nan 0.000 0.532 112 S N -1.454 114.258 115.700 0.020 0.000 3.339 112 S HA 0.568 5.054 4.470 0.027 0.000 0.221 112 S C 1.582 176.249 174.600 0.111 0.000 1.059 112 S CA 0.100 58.347 58.200 0.078 0.000 1.365 112 S CB 0.401 63.568 63.200 -0.055 0.000 1.065 112 S HN 0.569 nan 8.310 nan 0.000 0.618 113 R N 0.666 121.221 120.500 0.093 0.000 2.223 113 R HA 0.206 4.562 4.340 0.027 0.000 0.198 113 R C -0.408 175.928 176.300 0.060 0.000 0.984 113 R CA 0.224 56.375 56.100 0.085 0.000 1.018 113 R CB -0.283 30.067 30.300 0.084 0.000 0.945 113 R HN 0.527 nan 8.270 nan 0.000 0.479 114 D N 3.782 124.206 120.400 0.041 0.000 2.368 114 D HA 0.064 4.720 4.640 0.027 0.000 0.268 114 D C -2.235 174.077 176.300 0.020 0.000 1.298 114 D CA -0.741 53.275 54.000 0.025 0.000 0.938 114 D CB 0.831 41.638 40.800 0.012 0.000 1.101 114 D HN -0.043 nan 8.370 nan 0.000 0.509 115 P HA -0.072 nan 4.420 nan 0.000 0.266 115 P C 0.383 177.690 177.300 0.012 0.000 1.193 115 P CA 0.179 63.296 63.100 0.028 0.000 0.770 115 P CB 0.614 32.333 31.700 0.032 0.000 0.836 116 T N -1.076 113.487 114.554 0.014 0.000 2.892 116 T HA 0.585 4.952 4.350 0.027 0.000 0.280 116 T C 1.050 175.760 174.700 0.015 0.000 1.004 116 T CA -0.152 61.950 62.100 0.003 0.000 0.950 116 T CB 0.725 69.591 68.868 -0.004 0.000 1.309 116 T HN 0.207 nan 8.240 nan 0.000 0.592 117 A N -0.061 122.767 122.820 0.013 0.000 2.218 117 A HA 0.324 4.660 4.320 0.027 0.000 0.209 117 A C 1.230 178.885 177.584 0.119 0.000 1.168 117 A CA -0.104 51.950 52.037 0.028 0.000 0.804 117 A CB -0.998 17.970 19.000 -0.053 0.000 0.834 117 A HN 0.823 nan 8.150 nan 0.000 0.482 118 T N 1.321 115.932 114.554 0.095 0.000 2.946 118 T HA 0.380 4.746 4.350 0.027 0.000 0.311 118 T C -0.030 174.721 174.700 0.086 0.000 1.063 118 T CA 0.663 62.824 62.100 0.101 0.000 1.139 118 T CB 0.327 69.213 68.868 0.029 0.000 0.994 118 T HN 0.250 nan 8.240 nan 0.000 0.547 119 L N 2.502 123.762 121.223 0.061 0.000 2.303 119 L HA 0.502 4.858 4.340 0.027 0.000 0.266 119 L C 0.613 177.501 176.870 0.030 0.000 1.011 119 L CA -1.273 53.593 54.840 0.044 0.000 0.818 119 L CB 1.175 43.247 42.059 0.021 0.000 1.326 119 L HN 0.501 nan 8.230 nan 0.000 0.435 120 N N 1.383 120.120 118.700 0.062 0.000 2.470 120 N HA 0.143 4.899 4.740 0.027 0.000 0.268 120 N C -2.023 173.508 175.510 0.035 0.000 1.136 120 N CA -1.492 51.606 53.050 0.080 0.000 0.961 120 N CB 1.867 40.435 38.487 0.134 0.000 1.067 120 N HN 0.262 nan 8.380 nan 0.000 0.468 121 P HA -0.132 nan 4.420 nan 0.000 0.216 121 P C 0.801 178.000 177.300 -0.167 0.000 1.153 121 P CA 1.396 64.414 63.100 -0.137 0.000 0.858 121 P CB 0.088 31.647 31.700 -0.236 0.000 0.789 122 H N -2.467 116.601 119.070 -0.003 0.000 2.521 122 H HA 0.080 4.652 4.556 0.027 0.000 0.286 122 H C 0.488 175.809 175.328 -0.011 0.000 1.034 122 H CA 0.967 57.007 56.048 -0.013 0.000 1.278 122 H CB -0.042 29.705 29.762 -0.025 0.000 1.386 122 H HN 0.159 nan 8.280 nan 0.000 0.567 123 N N -0.267 118.498 118.700 0.108 0.000 3.261 123 N HA -0.048 4.708 4.740 0.027 0.000 0.227 123 N C 0.152 175.741 175.510 0.132 0.000 1.338 123 N CA 0.005 53.125 53.050 0.117 0.000 0.833 123 N CB 0.594 39.159 38.487 0.129 0.000 1.606 123 N HN -0.181 nan 8.380 nan 0.000 0.649 124 T N 0.468 115.063 114.554 0.069 0.000 2.946 124 T HA -0.091 4.275 4.350 0.027 0.000 0.270 124 T C 1.443 176.171 174.700 0.045 0.000 1.129 124 T CA 1.772 63.896 62.100 0.040 0.000 1.103 124 T CB -0.021 68.852 68.868 0.008 0.000 0.839 124 T HN 0.577 nan 8.240 nan 0.000 0.544 125 G N -0.331 108.508 108.800 0.065 0.000 3.141 125 G HA2 0.091 4.067 3.960 0.027 0.000 0.218 125 G HA3 0.091 4.067 3.960 0.027 0.000 0.218 125 G C 0.237 175.004 174.900 -0.221 0.000 1.170 125 G CA -0.231 44.841 45.100 -0.046 0.000 0.769 125 G HN 0.458 nan 8.290 nan 0.000 0.546 126 H N -0.535 118.532 119.070 -0.005 0.000 2.771 126 H HA 0.424 4.996 4.556 0.027 0.000 0.367 126 H C -0.597 174.725 175.328 -0.009 0.000 1.172 126 H CA -0.567 55.467 56.048 -0.022 0.000 1.186 126 H CB 2.065 31.801 29.762 -0.044 0.000 1.790 126 H HN 0.094 nan 8.280 nan 0.000 0.556 127 S N 1.636 117.387 115.700 0.086 0.000 2.592 127 S HA 0.107 4.593 4.470 0.027 0.000 0.271 127 S C -1.633 173.037 174.600 0.117 0.000 1.326 127 S CA -1.230 57.018 58.200 0.081 0.000 1.024 127 S CB 0.677 63.922 63.200 0.074 0.000 0.921 127 S HN 0.532 nan 8.310 nan 0.000 0.527 128 P HA 0.275 nan 4.420 nan 0.000 0.261 128 P C 0.661 178.126 177.300 0.276 0.000 1.268 128 P CA 0.470 63.673 63.100 0.171 0.000 0.833 128 P CB -0.402 31.349 31.700 0.085 0.000 1.231 129 G N -0.882 108.126 108.800 0.347 0.000 2.685 129 G HA2 0.238 4.214 3.960 0.027 0.000 0.387 129 G HA3 0.238 4.214 3.960 0.027 0.000 0.387 129 G C -0.491 174.514 174.900 0.175 0.000 1.324 129 G CA -0.660 44.673 45.100 0.389 0.000 0.878 129 G HN 0.543 nan 8.290 nan 0.000 0.527 130 G N -2.676 106.200 108.800 0.127 0.000 2.649 130 G HA2 0.813 4.789 3.960 0.027 0.000 0.290 130 G HA3 0.813 4.789 3.960 0.027 0.000 0.290 130 G C 0.493 175.452 174.900 0.098 0.000 1.426 130 G CA 0.962 46.120 45.100 0.096 0.000 0.794 130 G HN 2.051 nan 8.290 nan 0.000 0.483 131 A N -0.435 122.451 122.820 0.110 0.000 2.178 131 A HA 0.368 4.704 4.320 0.027 0.000 0.211 131 A C 1.619 179.234 177.584 0.052 0.000 1.157 131 A CA 1.171 53.260 52.037 0.088 0.000 0.780 131 A CB -0.046 19.021 19.000 0.111 0.000 0.828 131 A HN 0.663 nan 8.150 nan 0.000 0.476 132 S N 1.216 116.955 115.700 0.065 0.000 2.930 132 S HA 0.099 4.585 4.470 0.027 0.000 0.257 132 S C 1.381 175.899 174.600 -0.137 0.000 1.208 132 S CA 0.305 58.496 58.200 -0.015 0.000 1.233 132 S CB -0.325 62.927 63.200 0.087 0.000 0.900 132 S HN 0.580 nan 8.310 nan 0.000 0.472 133 S N 2.232 117.889 115.700 -0.072 0.000 2.378 133 S HA -0.196 4.290 4.470 0.027 0.000 0.229 133 S C 2.303 176.806 174.600 -0.161 0.000 1.052 133 S CA 1.720 59.875 58.200 -0.074 0.000 1.084 133 S CB -0.762 62.424 63.200 -0.024 0.000 0.950 133 S HN 0.747 nan 8.310 nan 0.000 0.440 134 G N 0.720 109.399 108.800 -0.202 0.000 2.402 134 G HA2 -0.137 3.839 3.960 0.027 0.000 0.216 134 G HA3 -0.137 3.839 3.960 0.027 0.000 0.216 134 G C 1.585 176.231 174.900 -0.424 0.000 1.162 134 G CA 1.051 45.975 45.100 -0.294 0.000 0.777 134 G HN 0.523 nan 8.290 nan 0.000 0.539 135 S N 1.071 116.480 115.700 -0.484 0.000 2.356 135 S HA -0.031 4.455 4.470 0.027 0.000 0.223 135 S C 2.806 176.947 174.600 -0.764 0.000 1.032 135 S CA 1.285 59.107 58.200 -0.629 0.000 1.005 135 S CB -0.422 62.348 63.200 -0.717 0.000 0.867 135 S HN 0.579 nan 8.310 nan 0.000 0.449 136 A N 1.694 123.975 122.820 -0.899 0.000 1.858 136 A HA 0.109 4.445 4.320 0.027 0.000 0.216 136 A C 2.393 179.849 177.584 -0.213 0.000 1.190 136 A CA 1.786 53.490 52.037 -0.554 0.000 0.617 136 A CB -1.267 17.571 19.000 -0.270 0.000 0.827 136 A HN 0.515 nan 8.150 nan 0.000 0.443 137 A N -0.138 122.572 122.820 -0.182 0.000 1.883 137 A HA 0.104 4.440 4.320 0.027 0.000 0.217 137 A C 2.527 180.042 177.584 -0.115 0.000 1.186 137 A CA 2.390 54.366 52.037 -0.102 0.000 0.624 137 A CB -1.104 17.844 19.000 -0.088 0.000 0.822 137 A HN 1.116 nan 8.150 nan 0.000 0.444 138 A N -0.763 121.949 122.820 -0.181 0.000 1.902 138 A HA 0.008 4.344 4.320 0.027 0.000 0.217 138 A C 2.204 179.748 177.584 -0.067 0.000 1.181 138 A CA 1.819 53.782 52.037 -0.123 0.000 0.623 138 A CB -0.852 17.992 19.000 -0.259 0.000 0.818 138 A HN 0.425 nan 8.150 nan 0.000 0.443 139 V N -0.306 119.554 119.914 -0.090 0.000 2.548 139 V HA -0.099 4.037 4.120 0.027 0.000 0.249 139 V C 2.673 178.764 176.094 -0.005 0.000 1.055 139 V CA 1.694 63.979 62.300 -0.025 0.000 1.065 139 V CB -1.084 30.751 31.823 0.019 0.000 0.681 139 V HN 0.613 nan 8.190 nan 0.000 0.462 140 G N -0.473 108.320 108.800 -0.011 0.000 2.484 140 G HA2 -0.015 3.961 3.960 0.027 0.000 0.218 140 G HA3 -0.015 3.961 3.960 0.027 0.000 0.218 140 G C 1.410 176.261 174.900 -0.082 0.000 1.130 140 G CA 0.739 45.841 45.100 0.004 0.000 0.784 140 G HN 0.594 nan 8.290 nan 0.000 0.543 141 A N -0.144 122.628 122.820 -0.079 0.000 2.307 141 A HA 0.492 4.829 4.320 0.027 0.000 0.218 141 A C 1.894 179.443 177.584 -0.058 0.000 1.228 141 A CA 1.064 53.046 52.037 -0.092 0.000 0.857 141 A CB -0.462 18.496 19.000 -0.070 0.000 0.897 141 A HN 1.450 nan 8.150 nan 0.000 0.495 142 G N -0.720 108.056 108.800 -0.040 0.000 2.198 142 G HA2 -0.338 3.638 3.960 0.027 0.000 0.260 142 G HA3 -0.338 3.638 3.960 0.027 0.000 0.260 142 G C 0.751 175.639 174.900 -0.019 0.000 1.025 142 G CA 0.802 45.887 45.100 -0.026 0.000 0.769 142 G HN 0.423 nan 8.290 nan 0.000 0.507 143 M N -0.680 118.917 119.600 -0.005 0.000 2.287 143 M HA 0.282 4.778 4.480 0.027 0.000 0.266 143 M C 1.431 177.729 176.300 -0.004 0.000 1.079 143 M CA 1.507 56.811 55.300 0.006 0.000 1.146 143 M CB 0.063 32.715 32.600 0.087 0.000 1.374 143 M HN 0.572 nan 8.290 nan 0.000 0.435 144 I N -3.666 116.912 120.570 0.014 0.000 2.802 144 I HA 0.371 4.557 4.170 0.027 0.000 0.298 144 I C -2.400 173.718 176.117 0.001 0.000 1.176 144 I CA -2.152 59.151 61.300 0.006 0.000 1.025 144 I CB 1.979 40.008 38.000 0.049 0.000 1.243 144 I HN -0.223 nan 8.210 nan 0.000 0.424 145 P HA 0.119 nan 4.420 nan 0.000 0.236 145 P C -0.185 177.117 177.300 0.003 0.000 1.177 145 P CA 0.609 63.704 63.100 -0.008 0.000 0.773 145 P CB 0.740 32.430 31.700 -0.017 0.000 0.878 146 L N -0.985 120.247 121.223 0.015 0.000 2.582 146 L HA 0.749 5.105 4.340 0.027 0.000 0.257 146 L C -2.005 174.892 176.870 0.045 0.000 0.974 146 L CA -0.950 53.910 54.840 0.032 0.000 0.851 146 L CB 2.114 44.181 42.059 0.013 0.000 1.424 146 L HN -0.085 nan 8.230 nan 0.000 0.412 147 A N 3.541 126.414 122.820 0.090 0.000 2.589 147 A HA 0.779 5.115 4.320 0.027 0.000 0.296 147 A C -2.076 175.622 177.584 0.190 0.000 1.062 147 A CA -0.516 51.566 52.037 0.075 0.000 0.686 147 A CB 1.318 20.292 19.000 -0.044 0.000 1.282 147 A HN 0.648 nan 8.150 nan 0.000 0.404 148 L N 1.360 122.661 121.223 0.129 0.000 2.331 148 L HA 0.823 5.179 4.340 0.027 0.000 0.275 148 L C 0.801 177.795 176.870 0.206 0.000 1.022 148 L CA -0.380 54.562 54.840 0.170 0.000 0.812 148 L CB 2.049 44.162 42.059 0.089 0.000 1.257 148 L HN 0.993 nan 8.230 nan 0.000 0.435 149 G N 0.220 109.200 108.800 0.301 0.000 2.870 149 G HA2 0.740 4.716 3.960 0.027 0.000 0.299 149 G HA3 0.740 4.716 3.960 0.027 0.000 0.299 149 G C -1.186 173.842 174.900 0.213 0.000 1.324 149 G CA -0.144 45.141 45.100 0.309 0.000 0.808 149 G HN 0.571 nan 8.290 nan 0.000 0.535 150 T N -2.906 111.769 114.554 0.201 0.000 2.868 150 T HA 0.703 5.070 4.350 0.027 0.000 0.306 150 T C -1.207 173.593 174.700 0.166 0.000 1.224 150 T CA -0.632 61.564 62.100 0.161 0.000 1.012 150 T CB 2.235 71.195 68.868 0.153 0.000 1.221 150 T HN 0.711 nan 8.240 nan 0.000 0.499 151 Q N 0.205 120.098 119.800 0.154 0.000 2.285 151 Q HA 0.586 4.942 4.340 0.027 0.000 0.269 151 Q C -0.521 175.567 176.000 0.146 0.000 1.030 151 Q CA -0.654 55.236 55.803 0.146 0.000 0.788 151 Q CB 2.091 30.904 28.738 0.125 0.000 1.266 151 Q HN 0.880 nan 8.270 nan 0.000 0.438 152 T N 1.357 115.979 114.554 0.114 0.000 3.098 152 T HA 0.222 4.588 4.350 0.027 0.000 0.246 152 T C 0.795 175.543 174.700 0.080 0.000 0.983 152 T CA 0.736 62.861 62.100 0.042 0.000 1.094 152 T CB 0.402 69.190 68.868 -0.134 0.000 1.035 152 T HN 0.668 nan 8.240 nan 0.000 0.456 153 G N 0.463 109.294 108.800 0.051 0.000 2.805 153 G HA2 0.473 4.449 3.960 0.027 0.000 0.214 153 G HA3 0.473 4.449 3.960 0.027 0.000 0.214 153 G C 0.868 175.769 174.900 0.000 0.000 1.220 153 G CA 0.552 45.643 45.100 -0.015 0.000 0.854 153 G HN 0.580 nan 8.290 nan 0.000 0.623 154 G N -0.191 108.640 108.800 0.051 0.000 5.542 154 G HA2 0.292 4.268 3.960 0.027 0.000 0.207 154 G HA3 0.292 4.268 3.960 0.027 0.000 0.207 154 G C 0.581 175.528 174.900 0.078 0.000 0.764 154 G CA 0.627 45.769 45.100 0.070 0.000 0.692 154 G HN 0.188 nan 8.290 nan 0.000 0.330 155 S N -0.054 115.712 115.700 0.110 0.000 2.595 155 S HA 0.029 4.515 4.470 0.027 0.000 0.235 155 S C 1.917 176.639 174.600 0.203 0.000 0.974 155 S CA 0.850 59.135 58.200 0.141 0.000 0.942 155 S CB 0.266 63.562 63.200 0.161 0.000 0.766 155 S HN 0.304 nan 8.310 nan 0.000 0.536 156 V N 0.254 120.256 119.914 0.147 0.000 2.948 156 V HA 0.110 4.246 4.120 0.027 0.000 0.234 156 V C 1.889 177.981 176.094 -0.003 0.000 1.205 156 V CA 0.206 62.566 62.300 0.100 0.000 1.234 156 V CB -0.175 31.595 31.823 -0.088 0.000 1.020 156 V HN 0.326 nan 8.190 nan 0.000 0.491 157 I N 0.794 121.356 120.570 -0.013 0.000 2.179 157 I HA -0.181 4.005 4.170 0.027 0.000 0.242 157 I C 2.552 178.653 176.117 -0.027 0.000 1.088 157 I CA 1.789 63.075 61.300 -0.023 0.000 1.357 157 I CB -1.131 36.881 38.000 0.019 0.000 1.051 157 I HN 0.316 nan 8.210 nan 0.000 0.409 158 R N 1.475 121.939 120.500 -0.059 0.000 2.082 158 R HA -0.144 4.212 4.340 0.027 0.000 0.234 158 R C -0.413 175.674 176.300 -0.355 0.000 1.136 158 R CA 2.244 58.186 56.100 -0.264 0.000 0.935 158 R CB -1.234 28.896 30.300 -0.283 0.000 0.842 158 R HN 0.233 nan 8.270 nan 0.000 0.430 159 P HA -0.125 nan 4.420 nan 0.000 0.218 159 P C 0.779 178.186 177.300 0.179 0.000 1.149 159 P CA 1.941 65.074 63.100 0.056 0.000 0.817 159 P CB -0.045 31.732 31.700 0.129 0.000 0.785 160 A N 0.519 123.499 122.820 0.267 0.000 1.930 160 A HA 0.009 4.345 4.320 0.027 0.000 0.217 160 A C 2.503 180.174 177.584 0.145 0.000 1.175 160 A CA 1.927 54.131 52.037 0.279 0.000 0.627 160 A CB -1.431 17.679 19.000 0.183 0.000 0.815 160 A HN 0.235 nan 8.150 nan 0.000 0.443 161 A N -1.159 121.703 122.820 0.071 0.000 1.873 161 A HA -0.096 4.240 4.320 0.027 0.000 0.215 161 A C 2.125 179.816 177.584 0.179 0.000 1.186 161 A CA 1.354 53.434 52.037 0.072 0.000 0.616 161 A CB -0.925 18.085 19.000 0.017 0.000 0.823 161 A HN 0.657 nan 8.150 nan 0.000 0.442 162 Y N -1.046 119.288 120.300 0.057 0.000 2.207 162 Y HA -0.281 4.285 4.550 0.027 0.000 0.287 162 Y C 2.263 178.186 175.900 0.037 0.000 1.156 162 Y CA 0.746 58.869 58.100 0.038 0.000 1.182 162 Y CB -0.207 38.294 38.460 0.068 0.000 0.979 162 Y HN 0.374 nan 8.280 nan 0.000 0.521 163 C N -0.358 119.095 119.300 0.256 0.000 2.791 163 C HA 0.323 4.799 4.460 0.027 0.000 0.270 163 C C 1.617 176.766 174.990 0.265 0.000 1.257 163 C CA 0.472 59.654 59.018 0.274 0.000 1.699 163 C CB -0.688 27.179 27.740 0.211 0.000 1.904 163 C HN 0.776 nan 8.230 nan 0.000 0.603 164 G N 2.601 111.461 108.800 0.100 0.000 2.273 164 G HA2 -0.203 3.773 3.960 0.027 0.000 0.280 164 G HA3 -0.203 3.773 3.960 0.027 0.000 0.280 164 G C 0.101 175.074 174.900 0.121 0.000 1.047 164 G CA 0.778 45.910 45.100 0.054 0.000 0.869 164 G HN 0.699 nan 8.290 nan 0.000 0.502 165 T N -2.888 111.744 114.554 0.130 0.000 2.942 165 T HA 0.884 5.250 4.350 0.027 0.000 0.289 165 T C 0.382 175.128 174.700 0.075 0.000 1.044 165 T CA 0.308 62.480 62.100 0.118 0.000 1.023 165 T CB 2.293 71.269 68.868 0.180 0.000 1.123 165 T HN 1.720 nan 8.240 nan 0.000 0.512 166 A N 0.955 123.795 122.820 0.034 0.000 2.322 166 A HA 0.871 5.207 4.320 0.027 0.000 0.269 166 A C 0.360 177.910 177.584 -0.056 0.000 1.094 166 A CA -0.224 51.800 52.037 -0.022 0.000 0.807 166 A CB -0.149 18.819 19.000 -0.053 0.000 1.047 166 A HN 1.847 nan 8.150 nan 0.000 0.487 167 A N 0.539 123.279 122.820 -0.133 0.000 2.601 167 A HA 0.717 5.053 4.320 0.027 0.000 0.291 167 A C -1.148 176.292 177.584 -0.241 0.000 1.075 167 A CA -0.193 51.665 52.037 -0.298 0.000 0.671 167 A CB 0.749 19.429 19.000 -0.533 0.000 1.277 167 A HN 1.755 nan 8.150 nan 0.000 0.417 168 I N 0.059 120.460 120.570 -0.282 0.000 2.752 168 I HA 0.545 4.731 4.170 0.027 0.000 0.295 168 I C -1.171 174.854 176.117 -0.153 0.000 1.219 168 I CA -0.537 60.662 61.300 -0.169 0.000 1.030 168 I CB 1.947 39.877 38.000 -0.116 0.000 1.259 168 I HN 0.670 nan 8.210 nan 0.000 0.423 169 K N 8.530 128.887 120.400 -0.071 0.000 2.404 169 K HA 0.538 4.874 4.320 0.027 0.000 0.257 169 K C -2.663 173.957 176.600 0.033 0.000 1.026 169 K CA -1.746 54.537 56.287 -0.008 0.000 0.951 169 K CB 1.323 33.851 32.500 0.046 0.000 1.203 169 K HN 0.275 nan 8.250 nan 0.000 0.446 170 P HA -0.045 nan 4.420 nan 0.000 0.273 170 P C -0.611 176.741 177.300 0.086 0.000 1.252 170 P CA -0.136 62.995 63.100 0.050 0.000 0.809 170 P CB 0.484 32.208 31.700 0.042 0.000 1.017 171 S N -0.356 115.363 115.700 0.033 0.000 2.572 171 S HA 0.117 4.603 4.470 0.027 0.000 0.279 171 S C 0.076 174.818 174.600 0.237 0.000 1.341 171 S CA -0.252 57.967 58.200 0.031 0.000 1.043 171 S CB -0.452 62.466 63.200 -0.470 0.000 0.887 171 S HN 0.272 nan 8.310 nan 0.000 0.516 172 F N 3.359 123.498 119.950 0.316 0.000 2.635 172 F HA -0.015 4.527 4.527 0.025 0.000 0.379 172 F C 1.522 177.477 175.800 0.257 0.000 1.094 172 F CA 0.541 58.712 58.000 0.285 0.000 1.300 172 F CB -0.112 39.066 39.000 0.298 0.000 1.035 172 F HN 0.781 nan 8.300 nan 0.000 0.581 173 R N 2.401 122.605 120.500 -0.494 0.000 3.977 173 R HA -0.312 4.044 4.340 0.027 0.000 0.428 173 R C 1.582 177.821 176.300 -0.101 0.000 1.079 173 R CA 1.274 57.142 56.100 -0.387 0.000 1.269 173 R CB -1.881 28.200 30.300 -0.366 0.000 1.856 173 R HN 0.794 nan 8.270 nan 0.000 0.551 174 M N 0.816 120.405 119.600 -0.019 0.000 2.067 174 M HA -0.070 4.426 4.480 0.027 0.000 0.260 174 M C 0.495 176.801 176.300 0.010 0.000 1.069 174 M CA 1.766 57.075 55.300 0.015 0.000 1.117 174 M CB 0.188 32.812 32.600 0.039 0.000 1.334 174 M HN 0.163 nan 8.290 nan 0.000 0.407 175 L N 2.218 123.442 121.223 0.002 0.000 2.289 175 L HA 0.329 4.685 4.340 0.027 0.000 0.285 175 L C -1.989 174.872 176.870 -0.015 0.000 1.049 175 L CA -2.122 52.720 54.840 0.003 0.000 0.804 175 L CB 0.787 42.851 42.059 0.008 0.000 1.195 175 L HN 0.125 nan 8.230 nan 0.000 0.428 176 P HA 0.040 nan 4.420 nan 0.000 0.268 176 P C 0.210 177.515 177.300 0.008 0.000 1.205 176 P CA -0.237 62.857 63.100 -0.009 0.000 0.771 176 P CB 0.826 32.528 31.700 0.003 0.000 0.858 177 T N -1.686 112.875 114.554 0.011 0.000 3.206 177 T HA 0.150 4.516 4.350 0.027 0.000 0.253 177 T C 0.678 175.410 174.700 0.054 0.000 1.042 177 T CA -0.392 61.736 62.100 0.046 0.000 0.931 177 T CB -0.558 68.354 68.868 0.073 0.000 1.029 177 T HN 0.093 nan 8.240 nan 0.000 0.564 178 V N 2.145 122.082 119.914 0.038 0.000 2.529 178 V HA 0.450 4.586 4.120 0.027 0.000 0.292 178 V C 1.586 177.710 176.094 0.049 0.000 1.028 178 V CA 0.937 63.260 62.300 0.039 0.000 1.074 178 V CB -0.150 31.689 31.823 0.028 0.000 0.958 178 V HN 0.849 nan 8.190 nan 0.000 0.481 179 G N 3.890 112.725 108.800 0.058 0.000 2.176 179 G HA2 -0.177 3.799 3.960 0.027 0.000 0.252 179 G HA3 -0.177 3.799 3.960 0.027 0.000 0.252 179 G C -0.193 174.752 174.900 0.075 0.000 1.024 179 G CA 0.098 45.240 45.100 0.070 0.000 0.755 179 G HN 0.894 nan 8.290 nan 0.000 0.507 180 V N 0.081 120.041 119.914 0.078 0.000 2.447 180 V HA 0.447 4.583 4.120 0.027 0.000 0.292 180 V C 0.539 176.689 176.094 0.094 0.000 1.021 180 V CA -1.374 60.977 62.300 0.084 0.000 0.850 180 V CB 1.668 33.545 31.823 0.089 0.000 1.005 180 V HN 0.399 nan 8.190 nan 0.000 0.426 181 K N 3.357 123.804 120.400 0.079 0.000 2.477 181 K HA -0.062 4.274 4.320 0.027 0.000 0.275 181 K C -0.170 176.506 176.600 0.127 0.000 1.054 181 K CA 0.506 56.838 56.287 0.076 0.000 1.135 181 K CB -0.256 32.270 32.500 0.044 0.000 0.854 181 K HN 0.808 nan 8.250 nan 0.000 0.484 182 C N 6.192 125.577 119.300 0.141 0.000 2.527 182 C HA 0.288 4.764 4.460 0.027 0.000 0.396 182 C C 1.106 176.238 174.990 0.237 0.000 1.289 182 C CA -0.535 58.610 59.018 0.211 0.000 2.047 182 C CB -0.771 27.115 27.740 0.244 0.000 2.568 182 C HN 0.965 nan 8.230 nan 0.000 0.573 183 Y N 2.870 123.236 120.300 0.110 0.000 2.569 183 Y HA 0.266 4.833 4.550 0.028 0.000 0.278 183 Y C 1.177 177.084 175.900 0.012 0.000 1.130 183 Y CA 0.420 58.551 58.100 0.053 0.000 1.280 183 Y CB 0.180 38.676 38.460 0.060 0.000 1.379 183 Y HN 0.626 nan 8.280 nan 0.000 0.508 184 S N 0.095 115.896 115.700 0.168 0.000 2.750 184 S HA 0.122 4.608 4.470 0.027 0.000 0.276 184 S C -0.425 174.185 174.600 0.018 0.000 1.165 184 S CA -0.764 57.372 58.200 -0.106 0.000 1.047 184 S CB -0.159 62.844 63.200 -0.327 0.000 1.056 184 S HN 0.504 nan 8.310 nan 0.000 0.481 185 W N 4.270 125.651 121.300 0.136 0.000 2.611 185 W HA 0.258 4.934 4.660 0.026 0.000 0.251 185 W C 1.229 177.921 176.519 0.288 0.000 1.265 185 W CA 0.685 58.143 57.345 0.187 0.000 1.295 185 W CB -0.483 29.068 29.460 0.151 0.000 1.129 185 W HN 0.674 nan 8.180 nan 0.000 0.630 186 A N 0.185 122.959 122.820 -0.078 0.000 2.178 186 A HA 0.263 4.599 4.320 0.027 0.000 0.211 186 A C 1.808 179.261 177.584 -0.219 0.000 1.157 186 A CA 0.858 52.868 52.037 -0.045 0.000 0.780 186 A CB -0.253 18.592 19.000 -0.258 0.000 0.828 186 A HN 0.440 nan 8.150 nan 0.000 0.476 187 L N -1.626 119.573 121.223 -0.039 0.000 2.641 187 L HA 0.189 4.545 4.340 0.027 0.000 0.207 187 L C -0.384 176.653 176.870 0.278 0.000 1.049 187 L CA -0.377 54.447 54.840 -0.027 0.000 0.866 187 L CB -0.396 41.591 42.059 -0.120 0.000 1.264 187 L HN -0.027 nan 8.230 nan 0.000 0.483 188 D N 2.244 122.804 120.400 0.267 0.000 2.772 188 D HA 0.057 4.713 4.640 0.027 0.000 0.227 188 D C -0.257 176.242 176.300 0.331 0.000 1.114 188 D CA 1.079 55.243 54.000 0.273 0.000 0.832 188 D CB 0.368 41.321 40.800 0.254 0.000 1.154 188 D HN 0.086 nan 8.370 nan 0.000 0.514 189 T N 1.291 115.997 114.554 0.253 0.000 3.032 189 T HA 0.343 4.709 4.350 0.027 0.000 0.312 189 T C -0.073 174.712 174.700 0.141 0.000 1.078 189 T CA -0.781 61.447 62.100 0.212 0.000 1.028 189 T CB 1.476 70.516 68.868 0.288 0.000 1.091 189 T HN -0.004 nan 8.240 nan 0.000 0.457 190 V N 2.269 122.241 119.914 0.096 0.000 2.775 190 V HA 0.735 4.871 4.120 0.027 0.000 0.299 190 V C 0.948 177.072 176.094 0.050 0.000 1.062 190 V CA -0.095 62.251 62.300 0.077 0.000 1.063 190 V CB 1.233 33.089 31.823 0.054 0.000 0.994 190 V HN 1.101 nan 8.190 nan 0.000 0.483 191 G N 2.830 111.654 108.800 0.041 0.000 2.680 191 G HA2 0.721 4.697 3.960 0.027 0.000 0.290 191 G HA3 0.721 4.697 3.960 0.027 0.000 0.290 191 G C -1.888 172.977 174.900 -0.058 0.000 1.355 191 G CA -0.707 44.366 45.100 -0.046 0.000 0.903 191 G HN 0.443 nan 8.290 nan 0.000 0.474 192 L N -0.507 120.607 121.223 -0.182 0.000 2.354 192 L HA 0.704 5.060 4.340 0.027 0.000 0.269 192 L C -1.153 175.537 176.870 -0.300 0.000 1.005 192 L CA -0.534 54.235 54.840 -0.118 0.000 0.819 192 L CB 1.954 43.952 42.059 -0.103 0.000 1.311 192 L HN 0.408 nan 8.230 nan 0.000 0.423 193 F N 0.649 120.576 119.950 -0.038 0.000 2.507 193 F HA 0.803 5.348 4.527 0.030 0.000 0.325 193 F C 0.681 176.455 175.800 -0.044 0.000 1.116 193 F CA -0.499 57.480 58.000 -0.035 0.000 0.930 193 F CB 2.096 41.077 39.000 -0.030 0.000 1.146 193 F HN 0.469 nan 8.300 nan 0.000 0.447 194 G N 0.406 109.259 108.800 0.089 0.000 2.921 194 G HA2 0.573 4.549 3.960 0.027 0.000 0.291 194 G HA3 0.573 4.549 3.960 0.027 0.000 0.291 194 G C -0.109 174.802 174.900 0.017 0.000 1.370 194 G CA -0.215 44.901 45.100 0.027 0.000 0.847 194 G HN 0.732 nan 8.290 nan 0.000 0.532 195 A N -0.881 121.927 122.820 -0.019 0.000 1.903 195 A HA 0.453 4.789 4.320 0.027 0.000 0.213 195 A C 1.353 178.904 177.584 -0.055 0.000 1.185 195 A CA 0.845 52.868 52.037 -0.022 0.000 0.628 195 A CB 0.011 18.992 19.000 -0.031 0.000 0.830 195 A HN 0.522 nan 8.150 nan 0.000 0.446 196 R N -3.460 116.974 120.500 -0.109 0.000 2.869 196 R HA 0.587 4.943 4.340 0.027 0.000 0.263 196 R C 0.997 177.166 176.300 -0.217 0.000 1.066 196 R CA -0.108 55.891 56.100 -0.168 0.000 0.960 196 R CB 1.239 31.397 30.300 -0.237 0.000 1.221 196 R HN 0.132 nan 8.270 nan 0.000 0.474 197 A N 0.761 123.430 122.820 -0.253 0.000 1.883 197 A HA -0.242 4.095 4.320 0.027 0.000 0.217 197 A C 1.878 179.267 177.584 -0.324 0.000 1.186 197 A CA 2.160 54.067 52.037 -0.217 0.000 0.624 197 A CB -0.608 18.327 19.000 -0.109 0.000 0.822 197 A HN 0.895 nan 8.150 nan 0.000 0.444 198 E N -0.206 119.582 120.200 -0.688 0.000 2.171 198 E HA -0.262 4.104 4.350 0.027 0.000 0.197 198 E C 1.105 177.502 176.600 -0.338 0.000 0.997 198 E CA 1.497 57.447 56.400 -0.749 0.000 0.810 198 E CB -0.202 28.762 29.700 -1.228 0.000 0.738 198 E HN 0.622 nan 8.360 nan 0.000 0.467 199 D N 0.547 120.783 120.400 -0.272 0.000 2.117 199 D HA -0.132 4.524 4.640 0.027 0.000 0.198 199 D C 2.205 178.425 176.300 -0.134 0.000 0.982 199 D CA 0.840 54.742 54.000 -0.163 0.000 0.828 199 D CB -0.152 40.571 40.800 -0.128 0.000 0.967 199 D HN 0.322 nan 8.370 nan 0.000 0.464 200 L N 1.034 122.171 121.223 -0.143 0.000 2.046 200 L HA -0.127 4.229 4.340 0.027 0.000 0.208 200 L C 2.715 179.483 176.870 -0.169 0.000 1.077 200 L CA 1.035 55.790 54.840 -0.142 0.000 0.747 200 L CB -0.597 41.381 42.059 -0.135 0.000 0.896 200 L HN -0.047 nan 8.230 nan 0.000 0.432 201 A N 0.350 123.094 122.820 -0.127 0.000 1.859 201 A HA -0.224 4.112 4.320 0.027 0.000 0.217 201 A C 2.360 179.884 177.584 -0.100 0.000 1.198 201 A CA 1.651 53.641 52.037 -0.079 0.000 0.629 201 A CB -0.503 18.537 19.000 0.065 0.000 0.830 201 A HN 0.276 nan 8.150 nan 0.000 0.446 202 R N -0.465 119.996 120.500 -0.065 0.000 2.152 202 R HA -0.098 4.258 4.340 0.027 0.000 0.232 202 R C 2.212 178.468 176.300 -0.074 0.000 1.117 202 R CA 1.173 57.248 56.100 -0.041 0.000 0.981 202 R CB -1.442 28.839 30.300 -0.032 0.000 0.870 202 R HN 0.577 nan 8.270 nan 0.000 0.451 203 G N 0.670 109.401 108.800 -0.115 0.000 2.394 203 G HA2 -0.136 3.840 3.960 0.027 0.000 0.215 203 G HA3 -0.136 3.840 3.960 0.027 0.000 0.215 203 G C 1.602 176.400 174.900 -0.170 0.000 1.165 203 G CA 0.011 45.042 45.100 -0.115 0.000 0.784 203 G HN 0.176 nan 8.290 nan 0.000 0.535 204 L N -0.216 120.816 121.223 -0.318 0.000 2.056 204 L HA 0.010 4.366 4.340 0.027 0.000 0.207 204 L C 2.668 179.339 176.870 -0.331 0.000 1.078 204 L CA 0.411 54.941 54.840 -0.517 0.000 0.749 204 L CB -0.401 40.913 42.059 -1.242 0.000 0.901 204 L HN 0.236 nan 8.230 nan 0.000 0.433 205 L N 0.476 121.585 121.223 -0.191 0.000 1.970 205 L HA -0.213 4.143 4.340 0.027 0.000 0.212 205 L C 2.674 179.561 176.870 0.029 0.000 1.071 205 L CA 2.230 57.102 54.840 0.053 0.000 0.751 205 L CB -0.811 41.302 42.059 0.090 0.000 0.889 205 L HN 0.153 nan 8.230 nan 0.000 0.432 206 A N -0.696 122.119 122.820 -0.009 0.000 1.917 206 A HA -0.274 4.062 4.320 0.027 0.000 0.219 206 A C 2.290 179.872 177.584 -0.002 0.000 1.182 206 A CA 2.485 54.521 52.037 -0.002 0.000 0.633 206 A CB -0.661 18.331 19.000 -0.013 0.000 0.819 206 A HN 0.614 nan 8.150 nan 0.000 0.448 207 M N -0.788 118.797 119.600 -0.025 0.000 2.254 207 M HA -0.085 4.411 4.480 0.027 0.000 0.265 207 M C 2.173 178.480 176.300 0.011 0.000 1.066 207 M CA 1.876 57.167 55.300 -0.016 0.000 1.123 207 M CB -0.231 32.344 32.600 -0.042 0.000 1.388 207 M HN 0.716 nan 8.290 nan 0.000 0.425 208 T N -4.740 109.834 114.554 0.034 0.000 2.999 208 T HA 0.343 4.709 4.350 0.027 0.000 0.247 208 T C 1.494 176.250 174.700 0.093 0.000 1.012 208 T CA 0.642 62.790 62.100 0.081 0.000 1.048 208 T CB 0.389 69.350 68.868 0.154 0.000 1.020 208 T HN 0.491 nan 8.240 nan 0.000 0.478 209 G N 2.401 111.264 108.800 0.105 0.000 2.143 209 G HA2 -0.268 3.708 3.960 0.027 0.000 0.248 209 G HA3 -0.268 3.708 3.960 0.027 0.000 0.248 209 G C 0.034 174.994 174.900 0.101 0.000 0.991 209 G CA -0.055 45.098 45.100 0.089 0.000 0.689 209 G HN 0.727 nan 8.290 nan 0.000 0.522 210 R N 0.708 121.308 120.500 0.167 0.000 2.347 210 R HA 0.411 4.767 4.340 0.027 0.000 0.304 210 R C 1.982 178.314 176.300 0.053 0.000 1.072 210 R CA 0.352 56.506 56.100 0.090 0.000 0.980 210 R CB 0.794 31.141 30.300 0.078 0.000 0.986 210 R HN 0.442 nan 8.270 nan 0.000 0.448 211 S N 2.512 118.205 115.700 -0.011 0.000 2.400 211 S HA -0.208 4.278 4.470 0.027 0.000 0.232 211 S C 1.553 176.119 174.600 -0.056 0.000 1.025 211 S CA 1.291 59.483 58.200 -0.013 0.000 0.993 211 S CB -0.117 63.069 63.200 -0.024 0.000 0.808 211 S HN 0.769 nan 8.310 nan 0.000 0.478 212 E N 1.183 121.271 120.200 -0.187 0.000 2.331 212 E HA -0.150 4.216 4.350 0.027 0.000 0.199 212 E C 1.033 177.491 176.600 -0.236 0.000 1.008 212 E CA 0.829 57.065 56.400 -0.274 0.000 0.843 212 E CB -0.750 28.686 29.700 -0.439 0.000 0.761 212 E HN 0.778 nan 8.360 nan 0.000 0.507 213 F N 0.980 120.937 119.950 0.012 0.000 2.727 213 F HA 0.178 4.722 4.527 0.028 0.000 0.302 213 F C 1.162 176.985 175.800 0.039 0.000 1.097 213 F CA -0.431 57.585 58.000 0.027 0.000 1.330 213 F CB 0.724 39.734 39.000 0.016 0.000 1.084 213 F HN -0.151 nan 8.300 nan 0.000 0.578 214 S N -0.051 115.750 115.700 0.168 0.000 2.480 214 S HA 0.485 4.971 4.470 0.027 0.000 0.286 214 S C 0.761 175.418 174.600 0.095 0.000 1.180 214 S CA 0.163 58.436 58.200 0.121 0.000 1.075 214 S CB 0.903 64.151 63.200 0.079 0.000 0.996 214 S HN 0.599 nan 8.310 nan 0.000 0.487 215 G N 4.477 113.341 108.800 0.107 0.000 2.249 215 G HA2 -0.222 3.754 3.960 0.027 0.000 0.273 215 G HA3 -0.222 3.754 3.960 0.027 0.000 0.273 215 G C 0.127 175.082 174.900 0.092 0.000 1.036 215 G CA 0.260 45.414 45.100 0.090 0.000 0.824 215 G HN 0.763 nan 8.290 nan 0.000 0.504 216 I N -0.456 120.211 120.570 0.162 0.000 2.648 216 I HA 0.321 4.507 4.170 0.027 0.000 0.284 216 I C 0.765 176.939 176.117 0.095 0.000 1.153 216 I CA 0.131 61.532 61.300 0.169 0.000 1.426 216 I CB 1.232 39.408 38.000 0.293 0.000 1.381 216 I HN 0.038 nan 8.210 nan 0.000 0.571 217 V N 8.064 127.912 119.914 -0.110 0.000 2.876 217 V HA 0.503 4.639 4.120 0.027 0.000 0.312 217 V C -2.318 173.475 176.094 -0.503 0.000 1.085 217 V CA -2.159 59.868 62.300 -0.454 0.000 0.945 217 V CB 2.365 34.021 31.823 -0.278 0.000 1.017 217 V HN 0.523 nan 8.190 nan 0.000 0.428 218 P HA 0.121 nan 4.420 nan 0.000 0.264 218 P C -0.575 176.645 177.300 -0.133 0.000 1.173 218 P CA 0.510 63.307 63.100 -0.505 0.000 0.761 218 P CB 0.287 31.620 31.700 -0.612 0.000 0.794 219 A N 3.412 126.262 122.820 0.051 0.000 2.407 219 A HA 0.251 4.587 4.320 0.027 0.000 0.248 219 A C 0.214 177.777 177.584 -0.034 0.000 1.082 219 A CA 0.113 52.158 52.037 0.014 0.000 0.785 219 A CB 0.073 19.091 19.000 0.030 0.000 1.020 219 A HN 0.318 nan 8.150 nan 0.000 0.489 220 K N 1.220 121.571 120.400 -0.082 0.000 2.293 220 K HA 0.510 4.847 4.320 0.027 0.000 0.267 220 K C 0.145 176.659 176.600 -0.143 0.000 1.010 220 K CA 0.448 56.695 56.287 -0.067 0.000 0.875 220 K CB 1.199 33.675 32.500 -0.040 0.000 1.106 220 K HN 1.612 nan 8.250 nan 0.000 0.450 221 A N 3.841 126.558 122.820 -0.172 0.000 2.362 221 A HA -0.144 4.192 4.320 0.027 0.000 0.290 221 A C -2.235 175.202 177.584 -0.245 0.000 1.441 221 A CA -0.336 51.597 52.037 -0.172 0.000 0.743 221 A CB -1.789 17.174 19.000 -0.062 0.000 1.125 221 A HN 0.396 nan 8.150 nan 0.000 0.378 222 P HA 0.320 nan 4.420 nan 0.000 0.272 222 P C 0.120 177.305 177.300 -0.192 0.000 1.230 222 P CA -0.032 62.875 63.100 -0.322 0.000 0.788 222 P CB 0.472 31.864 31.700 -0.513 0.000 0.949 223 R N 2.232 122.666 120.500 -0.109 0.000 2.215 223 R HA 0.478 4.834 4.340 0.027 0.000 0.337 223 R C -0.324 175.929 176.300 -0.078 0.000 1.010 223 R CA -0.360 55.698 56.100 -0.069 0.000 0.871 223 R CB 0.302 30.585 30.300 -0.029 0.000 1.134 223 R HN 0.475 nan 8.270 nan 0.000 0.477 224 I N 1.326 121.848 120.570 -0.080 0.000 2.404 224 I HA 0.363 4.549 4.170 0.027 0.000 0.293 224 I C 0.601 176.670 176.117 -0.081 0.000 0.992 224 I CA -0.780 60.471 61.300 -0.082 0.000 1.149 224 I CB 2.201 40.160 38.000 -0.069 0.000 1.315 224 I HN 0.604 nan 8.210 nan 0.000 0.446 225 G N 5.544 114.280 108.800 -0.107 0.000 2.437 225 G HA2 0.531 4.507 3.960 0.027 0.000 0.315 225 G HA3 0.531 4.507 3.960 0.027 0.000 0.315 225 G C -0.739 174.091 174.900 -0.116 0.000 1.210 225 G CA -0.326 44.706 45.100 -0.113 0.000 0.943 225 G HN 0.336 nan 8.290 nan 0.000 0.471 226 V N 3.417 123.273 119.914 -0.096 0.000 2.385 226 V HA 0.397 4.533 4.120 0.027 0.000 0.269 226 V C 0.406 176.442 176.094 -0.096 0.000 1.043 226 V CA -0.485 61.747 62.300 -0.113 0.000 0.906 226 V CB 1.069 32.825 31.823 -0.111 0.000 0.995 226 V HN 0.728 nan 8.190 nan 0.000 0.467 227 V N 3.648 123.501 119.914 -0.102 0.000 2.444 227 V HA 0.582 4.719 4.120 0.027 0.000 0.294 227 V C 0.497 176.528 176.094 -0.105 0.000 1.022 227 V CA -0.715 61.561 62.300 -0.039 0.000 0.850 227 V CB 1.480 33.354 31.823 0.086 0.000 0.992 227 V HN 0.756 nan 8.190 nan 0.000 0.426 228 R N 1.943 122.382 120.500 -0.103 0.000 2.334 228 R HA 0.260 4.616 4.340 0.027 0.000 0.220 228 R C 0.107 176.412 176.300 0.009 0.000 0.917 228 R CA -0.057 55.996 56.100 -0.078 0.000 1.073 228 R CB 0.010 30.316 30.300 0.009 0.000 1.056 228 R HN 0.939 nan 8.270 nan 0.000 0.506 229 Q N 0.779 120.451 119.800 -0.214 0.000 2.437 229 Q HA -0.223 4.133 4.340 0.027 0.000 0.354 229 Q C -0.118 175.308 176.000 -0.957 0.000 1.402 229 Q CA 0.391 55.673 55.803 -0.869 0.000 1.020 229 Q CB -0.624 27.810 28.738 -0.507 0.000 1.220 229 Q HN 0.341 nan 8.270 nan 0.000 0.368 230 E N -0.210 119.572 120.200 -0.696 0.000 2.160 230 E HA -0.201 4.165 4.350 0.027 0.000 0.195 230 E C 1.222 177.505 176.600 -0.528 0.000 0.991 230 E CA 1.961 58.114 56.400 -0.411 0.000 0.810 230 E CB -0.346 29.246 29.700 -0.181 0.000 0.742 230 E HN 0.795 nan 8.360 nan 0.000 0.466 231 F N -0.411 119.203 119.950 -0.560 0.000 2.333 231 F HA 0.114 4.656 4.527 0.024 0.000 0.300 231 F C 2.034 177.196 175.800 -1.063 0.000 1.083 231 F CA 0.608 58.163 58.000 -0.741 0.000 1.395 231 F CB -0.660 37.782 39.000 -0.930 0.000 1.056 231 F HN 0.000 nan 8.300 nan 0.000 0.529 232 A N 0.381 122.472 122.820 -1.215 0.000 2.167 232 A HA 0.512 4.848 4.320 0.027 0.000 0.214 232 A C 1.527 178.816 177.584 -0.491 0.000 1.151 232 A CA 0.731 52.153 52.037 -1.026 0.000 0.735 232 A CB -1.177 17.178 19.000 -1.075 0.000 0.802 232 A HN 0.934 nan 8.150 nan 0.000 0.467 233 G N -2.000 106.597 108.800 -0.338 0.000 2.466 233 G HA2 0.406 4.382 3.960 0.027 0.000 0.316 233 G HA3 0.406 4.382 3.960 0.027 0.000 0.316 233 G C -0.034 174.836 174.900 -0.051 0.000 1.270 233 G CA -0.391 44.625 45.100 -0.139 0.000 0.982 233 G HN 1.530 nan 8.290 nan 0.000 0.506 234 A N -0.749 122.063 122.820 -0.013 0.000 2.409 234 A HA 0.666 5.002 4.320 0.027 0.000 0.267 234 A C 0.737 178.331 177.584 0.017 0.000 1.127 234 A CA 0.607 52.641 52.037 -0.005 0.000 0.795 234 A CB 0.975 19.970 19.000 -0.009 0.000 1.061 234 A HN 2.186 nan 8.150 nan 0.000 0.502 235 V N 2.763 122.632 119.914 -0.075 0.000 2.904 235 V HA 0.243 4.379 4.120 0.027 0.000 0.305 235 V C 0.462 176.443 176.094 -0.189 0.000 1.067 235 V CA -0.517 61.630 62.300 -0.255 0.000 1.044 235 V CB 1.319 32.641 31.823 -0.834 0.000 1.050 235 V HN 1.006 nan 8.190 nan 0.000 0.475 236 E N 5.314 125.399 120.200 -0.190 0.000 2.331 236 E HA 0.220 4.586 4.350 0.027 0.000 0.272 236 E C -1.785 174.747 176.600 -0.113 0.000 1.036 236 E CA -1.376 54.959 56.400 -0.107 0.000 0.864 236 E CB 1.174 30.835 29.700 -0.066 0.000 1.035 236 E HN 0.525 nan 8.360 nan 0.000 0.408 237 P HA -0.320 nan 4.420 nan 0.000 0.217 237 P C 1.043 178.320 177.300 -0.038 0.000 1.162 237 P CA 2.007 65.081 63.100 -0.044 0.000 0.901 237 P CB 0.115 31.798 31.700 -0.028 0.000 0.793 238 A N -0.366 122.431 122.820 -0.039 0.000 1.917 238 A HA -0.230 4.106 4.320 0.027 0.000 0.219 238 A C 2.337 179.908 177.584 -0.021 0.000 1.182 238 A CA 2.512 54.530 52.037 -0.031 0.000 0.633 238 A CB -1.668 17.310 19.000 -0.037 0.000 0.819 238 A HN 0.236 nan 8.150 nan 0.000 0.448 239 A N -0.567 122.224 122.820 -0.050 0.000 1.902 239 A HA -0.121 4.215 4.320 0.027 0.000 0.217 239 A C 1.981 179.626 177.584 0.103 0.000 1.181 239 A CA 2.098 54.118 52.037 -0.028 0.000 0.623 239 A CB -0.429 18.422 19.000 -0.247 0.000 0.818 239 A HN 0.556 nan 8.150 nan 0.000 0.443 240 E N 0.152 120.392 120.200 0.066 0.000 2.106 240 E HA -0.175 4.191 4.350 0.027 0.000 0.192 240 E C 2.066 178.710 176.600 0.074 0.000 0.984 240 E CA 1.606 58.103 56.400 0.161 0.000 0.806 240 E CB -0.361 29.389 29.700 0.083 0.000 0.750 240 E HN 0.708 nan 8.360 nan 0.000 0.458 241 Q N -0.652 119.167 119.800 0.031 0.000 2.096 241 Q HA -0.097 4.259 4.340 0.027 0.000 0.204 241 Q C 2.179 178.184 176.000 0.010 0.000 0.982 241 Q CA 1.440 57.249 55.803 0.011 0.000 0.850 241 Q CB -0.363 28.373 28.738 -0.002 0.000 0.901 241 Q HN 0.452 nan 8.270 nan 0.000 0.422 242 G N 0.656 109.467 108.800 0.019 0.000 2.408 242 G HA2 -0.219 3.757 3.960 0.027 0.000 0.217 242 G HA3 -0.219 3.757 3.960 0.027 0.000 0.217 242 G C 1.345 176.245 174.900 -0.001 0.000 1.150 242 G CA 0.415 45.521 45.100 0.009 0.000 0.776 242 G HN 0.225 nan 8.290 nan 0.000 0.542 243 L N 0.328 121.555 121.223 0.007 0.000 2.056 243 L HA 0.030 4.386 4.340 0.027 0.000 0.207 243 L C 2.803 179.642 176.870 -0.051 0.000 1.078 243 L CA 1.850 56.653 54.840 -0.061 0.000 0.749 243 L CB -0.607 41.361 42.059 -0.151 0.000 0.901 243 L HN 0.272 nan 8.230 nan 0.000 0.433 244 Q N -0.933 118.853 119.800 -0.023 0.000 2.079 244 Q HA -0.147 4.209 4.340 0.027 0.000 0.200 244 Q C 2.250 178.239 176.000 -0.018 0.000 0.974 244 Q CA 1.491 57.282 55.803 -0.020 0.000 0.840 244 Q CB -0.284 28.449 28.738 -0.008 0.000 0.898 244 Q HN 0.686 nan 8.270 nan 0.000 0.430 245 A N 1.129 123.940 122.820 -0.015 0.000 1.883 245 A HA -0.184 4.152 4.320 0.027 0.000 0.217 245 A C 2.286 179.858 177.584 -0.020 0.000 1.186 245 A CA 1.760 53.787 52.037 -0.016 0.000 0.624 245 A CB -0.850 18.141 19.000 -0.016 0.000 0.822 245 A HN 0.419 nan 8.150 nan 0.000 0.444 246 A N -0.166 122.641 122.820 -0.022 0.000 1.902 246 A HA -0.082 4.254 4.320 0.027 0.000 0.217 246 A C 2.137 179.716 177.584 -0.009 0.000 1.181 246 A CA 1.542 53.567 52.037 -0.020 0.000 0.623 246 A CB -0.612 18.372 19.000 -0.026 0.000 0.818 246 A HN 0.513 nan 8.150 nan 0.000 0.443 247 I N -0.642 119.918 120.570 -0.018 0.000 2.179 247 I HA -0.269 3.917 4.170 0.027 0.000 0.242 247 I C 2.566 178.685 176.117 0.005 0.000 1.088 247 I CA 1.895 63.189 61.300 -0.009 0.000 1.357 247 I CB -0.296 37.688 38.000 -0.027 0.000 1.051 247 I HN 0.378 nan 8.210 nan 0.000 0.409 248 K N 1.313 121.710 120.400 -0.004 0.000 2.032 248 K HA -0.221 4.115 4.320 0.027 0.000 0.209 248 K C 2.234 178.834 176.600 -0.001 0.000 1.048 248 K CA 1.680 57.966 56.287 -0.002 0.000 0.927 248 K CB -0.166 32.329 32.500 -0.008 0.000 0.712 248 K HN 0.290 nan 8.250 nan 0.000 0.441 249 A N 1.096 123.908 122.820 -0.013 0.000 1.883 249 A HA -0.165 4.171 4.320 0.027 0.000 0.217 249 A C 2.365 179.934 177.584 -0.026 0.000 1.186 249 A CA 2.146 54.163 52.037 -0.034 0.000 0.624 249 A CB -1.023 17.942 19.000 -0.058 0.000 0.822 249 A HN 0.518 nan 8.150 nan 0.000 0.444 250 A N -0.386 122.450 122.820 0.026 0.000 1.908 250 A HA -0.220 4.116 4.320 0.027 0.000 0.218 250 A C 1.926 179.626 177.584 0.193 0.000 1.181 250 A CA 1.835 53.974 52.037 0.169 0.000 0.627 250 A CB -0.597 18.550 19.000 0.246 0.000 0.818 250 A HN 0.665 nan 8.150 nan 0.000 0.445 251 E N -0.814 119.444 120.200 0.096 0.000 2.077 251 E HA -0.181 4.185 4.350 0.027 0.000 0.193 251 E C 2.251 178.890 176.600 0.065 0.000 0.989 251 E CA 0.929 57.372 56.400 0.072 0.000 0.800 251 E CB -0.101 29.620 29.700 0.035 0.000 0.746 251 E HN 0.337 nan 8.360 nan 0.000 0.452 252 R N 0.261 120.785 120.500 0.040 0.000 2.115 252 R HA -0.011 4.345 4.340 0.027 0.000 0.230 252 R C 1.887 178.209 176.300 0.037 0.000 1.111 252 R CA 1.049 57.163 56.100 0.024 0.000 0.976 252 R CB -0.731 29.568 30.300 -0.001 0.000 0.870 252 R HN 0.112 nan 8.270 nan 0.000 0.445 253 A N -0.189 122.664 122.820 0.054 0.000 2.235 253 A HA 0.317 4.653 4.320 0.027 0.000 0.208 253 A C 1.339 179.064 177.584 0.234 0.000 1.172 253 A CA 0.963 53.049 52.037 0.083 0.000 0.786 253 A CB -0.155 18.768 19.000 -0.129 0.000 0.804 253 A HN 0.423 nan 8.150 nan 0.000 0.479 254 G N -2.361 106.547 108.800 0.180 0.000 2.184 254 G HA2 0.139 4.115 3.960 0.027 0.000 0.206 254 G HA3 0.139 4.115 3.960 0.027 0.000 0.206 254 G C 0.433 175.391 174.900 0.096 0.000 0.995 254 G CA 0.088 45.266 45.100 0.130 0.000 0.651 254 G HN 1.506 nan 8.290 nan 0.000 0.511 255 A N 0.448 123.362 122.820 0.156 0.000 2.407 255 A HA 0.696 5.032 4.320 0.027 0.000 0.248 255 A C 0.903 178.497 177.584 0.016 0.000 1.082 255 A CA 0.960 53.014 52.037 0.027 0.000 0.785 255 A CB 0.468 19.517 19.000 0.082 0.000 1.020 255 A HN 1.894 nan 8.150 nan 0.000 0.489 256 S N 1.334 117.018 115.700 -0.026 0.000 2.422 256 S HA 0.575 5.062 4.470 0.027 0.000 0.308 256 S C -0.551 174.035 174.600 -0.024 0.000 1.097 256 S CA -0.612 57.577 58.200 -0.017 0.000 1.099 256 S CB 0.691 63.877 63.200 -0.024 0.000 0.976 256 S HN 0.686 nan 8.310 nan 0.000 0.471 257 V N 4.530 124.436 119.914 -0.014 0.000 2.513 257 V HA 0.671 4.808 4.120 0.027 0.000 0.299 257 V C -0.307 175.772 176.094 -0.026 0.000 1.035 257 V CA -0.658 61.629 62.300 -0.023 0.000 0.889 257 V CB 1.336 33.151 31.823 -0.013 0.000 0.988 257 V HN 1.021 nan 8.190 nan 0.000 0.440 258 Q N 3.224 123.002 119.800 -0.036 0.000 2.284 258 Q HA 0.808 5.164 4.340 0.027 0.000 0.269 258 Q C -0.894 175.081 176.000 -0.041 0.000 1.026 258 Q CA -0.756 55.026 55.803 -0.034 0.000 0.831 258 Q CB 2.111 30.831 28.738 -0.031 0.000 1.322 258 Q HN 0.836 nan 8.270 nan 0.000 0.419 259 A N 3.919 126.718 122.820 -0.035 0.000 2.386 259 A HA 0.716 5.053 4.320 0.027 0.000 0.248 259 A C 0.086 177.654 177.584 -0.027 0.000 1.082 259 A CA -0.299 51.717 52.037 -0.036 0.000 0.789 259 A CB 0.110 19.094 19.000 -0.027 0.000 1.025 259 A HN 0.832 nan 8.150 nan 0.000 0.490 260 I N -1.647 118.910 120.570 -0.021 0.000 2.842 260 I HA 0.470 4.656 4.170 0.027 0.000 0.297 260 I C -1.786 174.349 176.117 0.030 0.000 1.380 260 I CA -0.972 60.325 61.300 -0.005 0.000 1.018 260 I CB 2.428 40.414 38.000 -0.024 0.000 1.311 260 I HN 0.364 nan 8.210 nan 0.000 0.439 261 D N 5.285 125.718 120.400 0.056 0.000 2.217 261 D HA 0.526 5.182 4.640 0.027 0.000 0.243 261 D C -0.261 176.131 176.300 0.154 0.000 1.054 261 D CA -0.274 53.798 54.000 0.120 0.000 0.838 261 D CB 2.821 43.691 40.800 0.117 0.000 1.162 261 D HN 0.435 nan 8.370 nan 0.000 0.472 262 L N 2.954 124.336 121.223 0.265 0.000 2.439 262 L HA 0.197 4.553 4.340 0.027 0.000 0.269 262 L C -1.920 175.058 176.870 0.180 0.000 1.179 262 L CA -1.435 53.557 54.840 0.254 0.000 0.828 262 L CB -0.059 42.218 42.059 0.364 0.000 1.106 262 L HN 0.064 nan 8.230 nan 0.000 0.467 263 P HA -0.075 nan 4.420 nan 0.000 0.269 263 P C 0.281 177.448 177.300 -0.221 0.000 1.211 263 P CA -0.065 62.998 63.100 -0.063 0.000 0.781 263 P CB 0.564 32.247 31.700 -0.028 0.000 0.877 264 E N 2.405 122.415 120.200 -0.317 0.000 2.153 264 E HA -0.204 4.162 4.350 0.027 0.000 0.194 264 E C 1.811 178.268 176.600 -0.238 0.000 0.988 264 E CA 1.922 58.061 56.400 -0.435 0.000 0.811 264 E CB -0.952 28.586 29.700 -0.270 0.000 0.746 264 E HN 0.421 nan 8.360 nan 0.000 0.466 265 A N -0.061 122.672 122.820 -0.145 0.000 1.978 265 A HA -0.138 4.198 4.320 0.027 0.000 0.220 265 A C 2.438 179.962 177.584 -0.100 0.000 1.170 265 A CA 1.644 53.623 52.037 -0.098 0.000 0.636 265 A CB -0.581 18.378 19.000 -0.068 0.000 0.810 265 A HN 0.208 nan 8.150 nan 0.000 0.448 266 V N -0.545 119.309 119.914 -0.100 0.000 2.379 266 V HA -0.234 3.902 4.120 0.027 0.000 0.245 266 V C 2.219 178.133 176.094 -0.300 0.000 1.044 266 V CA 1.888 64.104 62.300 -0.140 0.000 1.036 266 V CB -1.206 30.576 31.823 -0.069 0.000 0.664 266 V HN 0.709 nan 8.190 nan 0.000 0.453 267 H N -0.248 118.472 119.070 -0.582 0.000 2.353 267 H HA -0.173 4.398 4.556 0.025 0.000 0.298 267 H C 2.477 177.612 175.328 -0.322 0.000 1.103 267 H CA 1.487 57.040 56.048 -0.824 0.000 1.293 267 H CB 0.170 29.676 29.762 -0.427 0.000 1.372 267 H HN 0.386 nan 8.280 nan 0.000 0.501 268 E N 0.805 120.976 120.200 -0.049 0.000 2.051 268 E HA -0.111 4.255 4.350 0.027 0.000 0.192 268 E C 2.537 179.111 176.600 -0.043 0.000 0.991 268 E CA 0.848 57.235 56.400 -0.022 0.000 0.799 268 E CB -0.328 29.343 29.700 -0.048 0.000 0.748 268 E HN 0.438 nan 8.360 nan 0.000 0.449 269 A N 0.490 123.260 122.820 -0.083 0.000 1.940 269 A HA -0.201 4.135 4.320 0.027 0.000 0.219 269 A C 2.041 179.579 177.584 -0.077 0.000 1.176 269 A CA 1.597 53.577 52.037 -0.094 0.000 0.631 269 A CB -1.125 17.810 19.000 -0.109 0.000 0.814 269 A HN 0.482 nan 8.150 nan 0.000 0.446 270 W N 0.476 121.610 121.300 -0.275 0.000 2.388 270 W HA -0.148 4.528 4.660 0.026 0.000 0.294 270 W C 2.349 178.799 176.519 -0.115 0.000 1.212 270 W CA 1.786 58.990 57.345 -0.236 0.000 1.271 270 W CB -0.112 29.138 29.460 -0.350 0.000 1.126 270 W HN 0.298 nan 8.180 nan 0.000 0.535 271 R N 0.841 121.337 120.500 -0.006 0.000 2.092 271 R HA -0.148 4.208 4.340 0.027 0.000 0.231 271 R C 1.920 178.072 176.300 -0.246 0.000 1.119 271 R CA 2.081 58.073 56.100 -0.181 0.000 0.970 271 R CB -0.684 29.677 30.300 0.102 0.000 0.864 271 R HN 0.414 nan 8.270 nan 0.000 0.440 272 I N -1.544 118.928 120.570 -0.162 0.000 3.684 272 I HA -0.012 4.174 4.170 0.027 0.000 0.304 272 I C 2.041 178.055 176.117 -0.172 0.000 1.278 272 I CA 0.659 61.870 61.300 -0.149 0.000 1.272 272 I CB -0.613 37.313 38.000 -0.123 0.000 1.029 272 I HN 0.124 nan 8.210 nan 0.000 0.458 273 H N 2.943 121.828 119.070 -0.308 0.000 2.353 273 H HA -0.083 4.489 4.556 0.027 0.000 0.298 273 H C -0.690 174.482 175.328 -0.260 0.000 1.103 273 H CA 2.506 58.374 56.048 -0.299 0.000 1.293 273 H CB -1.189 28.345 29.762 -0.381 0.000 1.372 273 H HN 0.229 nan 8.280 nan 0.000 0.501 274 P HA -0.149 nan 4.420 nan 0.000 0.216 274 P C 1.979 179.193 177.300 -0.142 0.000 1.150 274 P CA 1.122 64.148 63.100 -0.123 0.000 0.837 274 P CB -0.036 31.594 31.700 -0.116 0.000 0.786 275 I N -0.901 119.596 120.570 -0.122 0.000 2.127 275 I HA -0.220 3.966 4.170 0.027 0.000 0.241 275 I C 2.379 178.485 176.117 -0.018 0.000 1.075 275 I CA 1.730 63.000 61.300 -0.050 0.000 1.334 275 I CB -1.493 36.475 38.000 -0.052 0.000 1.040 275 I HN -0.031 nan 8.210 nan 0.000 0.405 276 I N 0.237 120.747 120.570 -0.100 0.000 2.179 276 I HA -0.327 3.860 4.170 0.027 0.000 0.242 276 I C 2.765 178.763 176.117 -0.198 0.000 1.088 276 I CA 1.338 62.602 61.300 -0.059 0.000 1.357 276 I CB -0.483 37.391 38.000 -0.210 0.000 1.051 276 I HN 0.370 nan 8.210 nan 0.000 0.409 277 Q N 0.889 120.459 119.800 -0.382 0.000 2.050 277 Q HA -0.254 4.102 4.340 0.027 0.000 0.202 277 Q C 1.664 177.515 176.000 -0.248 0.000 0.980 277 Q CA 2.066 57.611 55.803 -0.429 0.000 0.840 277 Q CB 0.055 28.471 28.738 -0.536 0.000 0.898 277 Q HN 0.457 nan 8.270 nan 0.000 0.424 278 D N -0.400 119.919 120.400 -0.136 0.000 2.162 278 D HA -0.102 4.554 4.640 0.027 0.000 0.203 278 D C 1.519 177.814 176.300 -0.009 0.000 0.967 278 D CA 0.575 54.548 54.000 -0.046 0.000 0.840 278 D CB -0.311 40.490 40.800 0.002 0.000 0.972 278 D HN 0.248 nan 8.370 nan 0.000 0.482 279 F N 1.831 121.686 119.950 -0.159 0.000 2.186 279 F HA -0.096 4.447 4.527 0.027 0.000 0.299 279 F C 2.102 177.715 175.800 -0.311 0.000 1.090 279 F CA 1.324 59.186 58.000 -0.231 0.000 1.307 279 F CB 0.165 38.926 39.000 -0.398 0.000 1.019 279 F HN -0.131 nan 8.300 nan 0.000 0.489 280 E N -0.015 120.011 120.200 -0.291 0.000 2.107 280 E HA -0.119 4.247 4.350 0.027 0.000 0.191 280 E C 2.368 178.834 176.600 -0.224 0.000 0.982 280 E CA 0.730 56.844 56.400 -0.477 0.000 0.809 280 E CB -0.325 28.829 29.700 -0.910 0.000 0.756 280 E HN 0.473 nan 8.360 nan 0.000 0.459 281 A N 1.323 124.056 122.820 -0.146 0.000 1.940 281 A HA -0.236 4.100 4.320 0.027 0.000 0.219 281 A C 1.855 179.329 177.584 -0.182 0.000 1.176 281 A CA 1.450 53.461 52.037 -0.044 0.000 0.631 281 A CB -0.699 18.332 19.000 0.051 0.000 0.814 281 A HN 0.290 nan 8.150 nan 0.000 0.446 282 H N -0.917 117.999 119.070 -0.258 0.000 2.389 282 H HA -0.029 4.543 4.556 0.027 0.000 0.299 282 H C 2.401 177.583 175.328 -0.244 0.000 1.081 282 H CA 1.793 57.630 56.048 -0.351 0.000 1.345 282 H CB 0.075 29.546 29.762 -0.486 0.000 1.393 282 H HN 0.354 nan 8.280 nan 0.000 0.520 283 R N 0.468 120.918 120.500 -0.083 0.000 2.075 283 R HA 0.058 4.414 4.340 0.027 0.000 0.226 283 R C 2.508 178.881 176.300 0.122 0.000 1.114 283 R CA 1.111 57.228 56.100 0.027 0.000 0.972 283 R CB -0.594 29.805 30.300 0.166 0.000 0.869 283 R HN 0.233 nan 8.270 nan 0.000 0.437 284 A N 0.032 122.970 122.820 0.196 0.000 1.969 284 A HA -0.022 4.314 4.320 0.027 0.000 0.218 284 A C 1.338 178.963 177.584 0.069 0.000 1.169 284 A CA 1.061 53.216 52.037 0.195 0.000 0.635 284 A CB -0.190 18.973 19.000 0.271 0.000 0.810 284 A HN 0.226 nan 8.150 nan 0.000 0.445 285 L N -0.856 120.361 121.223 -0.011 0.000 3.094 285 L HA 0.283 4.639 4.340 0.027 0.000 0.254 285 L C 1.946 178.839 176.870 0.038 0.000 1.298 285 L CA 0.107 54.907 54.840 -0.067 0.000 1.050 285 L CB 0.223 42.129 42.059 -0.254 0.000 1.420 285 L HN 0.354 nan 8.230 nan 0.000 0.548 286 A N 0.396 123.274 122.820 0.097 0.000 1.865 286 A HA -0.246 4.090 4.320 0.027 0.000 0.217 286 A C 1.903 179.614 177.584 0.211 0.000 1.191 286 A CA 1.690 53.815 52.037 0.147 0.000 0.623 286 A CB -0.693 18.377 19.000 0.118 0.000 0.826 286 A HN 0.720 nan 8.150 nan 0.000 0.444 287 W N 1.011 122.338 121.300 0.046 0.000 2.335 287 W HA -0.201 4.475 4.660 0.026 0.000 0.311 287 W C 1.865 178.438 176.519 0.090 0.000 1.213 287 W CA 2.238 59.615 57.345 0.054 0.000 1.274 287 W CB -0.197 29.286 29.460 0.037 0.000 1.148 287 W HN 0.419 nan 8.180 nan 0.000 0.498 288 E N -0.568 119.713 120.200 0.135 0.000 2.051 288 E HA -0.220 4.146 4.350 0.027 0.000 0.192 288 E C 1.944 178.491 176.600 -0.088 0.000 0.991 288 E CA 1.808 58.158 56.400 -0.084 0.000 0.799 288 E CB -1.083 28.558 29.700 -0.100 0.000 0.748 288 E HN 0.337 nan 8.360 nan 0.000 0.449 289 F N 0.344 120.219 119.950 -0.125 0.000 2.365 289 F HA -0.098 4.445 4.527 0.027 0.000 0.300 289 F C 1.842 177.637 175.800 -0.008 0.000 1.090 289 F CA 0.956 58.930 58.000 -0.043 0.000 1.408 289 F CB 0.244 39.250 39.000 0.009 0.000 1.060 289 F HN -0.098 nan 8.300 nan 0.000 0.534 290 S N -0.733 114.948 115.700 -0.032 0.000 2.468 290 S HA 0.007 4.493 4.470 0.027 0.000 0.226 290 S C 1.574 175.997 174.600 -0.294 0.000 1.051 290 S CA 0.540 58.663 58.200 -0.128 0.000 0.943 290 S CB 0.020 63.202 63.200 -0.031 0.000 0.810 290 S HN 0.352 nan 8.310 nan 0.000 0.509 291 E N 0.538 120.446 120.200 -0.487 0.000 2.431 291 E HA 0.131 4.497 4.350 0.027 0.000 0.200 291 E C 0.031 175.999 176.600 -1.055 0.000 0.995 291 E CA 0.552 56.492 56.400 -0.766 0.000 0.915 291 E CB 0.158 29.240 29.700 -1.031 0.000 0.930 291 E HN 0.535 nan 8.360 nan 0.000 0.496 292 H N -0.399 118.408 119.070 -0.439 0.000 2.750 292 H HA 0.106 4.678 4.556 0.027 0.000 0.239 292 H C 1.213 176.421 175.328 -0.201 0.000 1.210 292 H CA -0.230 55.632 56.048 -0.310 0.000 0.936 292 H CB 0.187 29.722 29.762 -0.378 0.000 2.074 292 H HN 0.199 nan 8.280 nan 0.000 0.622 293 H N 2.095 121.003 119.070 -0.269 0.000 2.255 293 H HA -0.161 4.411 4.556 0.027 0.000 0.290 293 H C 0.523 175.755 175.328 -0.160 0.000 1.087 293 H CA 2.254 58.111 56.048 -0.318 0.000 1.213 293 H CB 0.293 29.755 29.762 -0.500 0.000 1.349 293 H HN 0.297 nan 8.280 nan 0.000 0.487 294 D N 0.326 120.747 120.400 0.034 0.000 2.311 294 D HA -0.110 4.546 4.640 0.027 0.000 0.212 294 D C 1.824 178.116 176.300 -0.013 0.000 0.972 294 D CA 0.936 54.950 54.000 0.025 0.000 0.887 294 D CB -0.296 40.528 40.800 0.039 0.000 0.915 294 D HN 0.673 nan 8.370 nan 0.000 0.497 295 E N -0.271 119.928 120.200 -0.002 0.000 2.447 295 E HA 0.110 4.476 4.350 0.027 0.000 0.195 295 E C 0.540 177.171 176.600 0.052 0.000 1.028 295 E CA -0.147 56.272 56.400 0.031 0.000 0.876 295 E CB 0.635 30.372 29.700 0.060 0.000 0.885 295 E HN 0.288 nan 8.360 nan 0.000 0.500 296 I N 2.226 122.810 120.570 0.024 0.000 2.556 296 I HA 0.047 4.233 4.170 0.027 0.000 0.284 296 I C 0.655 176.798 176.117 0.043 0.000 1.114 296 I CA -0.631 60.727 61.300 0.095 0.000 1.418 296 I CB 0.671 38.677 38.000 0.010 0.000 1.394 296 I HN -0.005 nan 8.210 nan 0.000 0.552 297 A N 8.414 131.279 122.820 0.075 0.000 2.587 297 A HA 0.055 4.391 4.320 0.027 0.000 0.233 297 A C -1.418 176.177 177.584 0.017 0.000 1.049 297 A CA -0.644 51.410 52.037 0.029 0.000 0.754 297 A CB -0.441 18.569 19.000 0.018 0.000 0.977 297 A HN 0.610 nan 8.150 nan 0.000 0.509 298 P HA -0.275 nan 4.420 nan 0.000 0.216 298 P C 1.645 178.957 177.300 0.020 0.000 1.167 298 P CA 2.314 65.421 63.100 0.012 0.000 0.933 298 P CB -0.124 31.584 31.700 0.015 0.000 0.793 299 M N -2.406 117.210 119.600 0.026 0.000 2.117 299 M HA -0.138 4.358 4.480 0.027 0.000 0.262 299 M C 2.120 178.442 176.300 0.036 0.000 1.065 299 M CA 1.498 56.818 55.300 0.035 0.000 1.114 299 M CB -0.920 31.704 32.600 0.040 0.000 1.361 299 M HN -0.028 nan 8.290 nan 0.000 0.408 300 L N 0.355 121.596 121.223 0.031 0.000 2.109 300 L HA -0.083 4.273 4.340 0.027 0.000 0.207 300 L C 2.420 179.295 176.870 0.007 0.000 1.086 300 L CA 1.759 56.609 54.840 0.017 0.000 0.760 300 L CB -0.697 41.377 42.059 0.025 0.000 0.910 300 L HN 0.156 nan 8.230 nan 0.000 0.437 301 R N -0.546 119.956 120.500 0.004 0.000 2.096 301 R HA -0.102 4.254 4.340 0.027 0.000 0.235 301 R C 2.114 178.448 176.300 0.057 0.000 1.127 301 R CA 1.280 57.364 56.100 -0.026 0.000 0.968 301 R CB -0.268 29.956 30.300 -0.127 0.000 0.861 301 R HN 0.511 nan 8.270 nan 0.000 0.440 302 A N 0.144 122.997 122.820 0.054 0.000 1.929 302 A HA -0.125 4.211 4.320 0.027 0.000 0.216 302 A C 2.098 179.733 177.584 0.085 0.000 1.176 302 A CA 1.609 53.694 52.037 0.080 0.000 0.628 302 A CB -0.468 18.567 19.000 0.060 0.000 0.816 302 A HN 0.555 nan 8.150 nan 0.000 0.444 303 S N -0.217 115.519 115.700 0.059 0.000 2.428 303 S HA 0.014 4.500 4.470 0.027 0.000 0.230 303 S C 1.823 176.444 174.600 0.035 0.000 1.014 303 S CA 1.147 59.377 58.200 0.049 0.000 0.957 303 S CB -0.552 62.674 63.200 0.043 0.000 0.784 303 S HN 0.419 nan 8.310 nan 0.000 0.499 304 L N 1.243 122.465 121.223 -0.002 0.000 2.109 304 L HA -0.027 4.329 4.340 0.027 0.000 0.207 304 L C 2.310 179.289 176.870 0.183 0.000 1.086 304 L CA 1.302 56.053 54.840 -0.149 0.000 0.760 304 L CB -0.562 41.309 42.059 -0.313 0.000 0.910 304 L HN 0.208 nan 8.230 nan 0.000 0.437 305 D N 0.351 120.932 120.400 0.303 0.000 2.144 305 D HA -0.146 4.510 4.640 0.027 0.000 0.199 305 D C 2.162 178.583 176.300 0.201 0.000 0.984 305 D CA 1.460 55.674 54.000 0.357 0.000 0.834 305 D CB 0.009 41.005 40.800 0.326 0.000 0.955 305 D HN 0.282 nan 8.370 nan 0.000 0.465 306 A N 0.030 122.937 122.820 0.145 0.000 2.119 306 A HA -0.045 4.291 4.320 0.027 0.000 0.217 306 A C 1.846 179.480 177.584 0.083 0.000 1.153 306 A CA 1.711 53.806 52.037 0.096 0.000 0.692 306 A CB -0.336 18.708 19.000 0.075 0.000 0.799 306 A HN 0.320 nan 8.150 nan 0.000 0.458 307 T N -2.919 111.709 114.554 0.123 0.000 3.132 307 T HA 0.229 4.595 4.350 0.027 0.000 0.274 307 T C 1.215 175.885 174.700 -0.051 0.000 1.011 307 T CA 0.530 62.691 62.100 0.102 0.000 0.899 307 T CB -0.336 68.623 68.868 0.153 0.000 1.089 307 T HN 0.550 nan 8.240 nan 0.000 0.543 308 V N -0.772 119.042 119.914 -0.167 0.000 2.720 308 V HA 0.181 4.317 4.120 0.027 0.000 0.256 308 V C 2.334 178.255 176.094 -0.289 0.000 1.082 308 V CA 1.680 63.674 62.300 -0.511 0.000 1.101 308 V CB -1.377 30.311 31.823 -0.225 0.000 0.693 308 V HN 0.495 nan 8.190 nan 0.000 0.479 309 G N 0.066 108.794 108.800 -0.119 0.000 2.813 309 G HA2 0.183 4.159 3.960 0.027 0.000 0.209 309 G HA3 0.183 4.159 3.960 0.027 0.000 0.209 309 G C 0.638 175.535 174.900 -0.005 0.000 1.150 309 G CA -0.357 44.712 45.100 -0.052 0.000 0.785 309 G HN 0.524 nan 8.290 nan 0.000 0.535 310 L N 2.331 123.564 121.223 0.017 0.000 2.578 310 L HA 0.171 4.527 4.340 0.027 0.000 0.279 310 L C 1.095 178.105 176.870 0.233 0.000 1.227 310 L CA -0.022 54.899 54.840 0.135 0.000 0.900 310 L CB 0.330 42.532 42.059 0.238 0.000 1.144 310 L HN 0.144 nan 8.230 nan 0.000 0.496 311 T N -0.321 114.323 114.554 0.149 0.000 2.943 311 T HA 0.368 4.734 4.350 0.027 0.000 0.284 311 T C -2.015 172.659 174.700 -0.042 0.000 1.015 311 T CA -2.077 60.100 62.100 0.129 0.000 1.042 311 T CB 1.941 70.837 68.868 0.046 0.000 1.055 311 T HN 0.270 nan 8.240 nan 0.000 0.500 312 P HA -0.040 nan 4.420 nan 0.000 0.218 312 P C 1.492 178.716 177.300 -0.127 0.000 1.148 312 P CA 0.869 63.865 63.100 -0.174 0.000 0.822 312 P CB 0.154 31.904 31.700 0.084 0.000 0.784 313 K N 0.769 121.129 120.400 -0.068 0.000 1.985 313 K HA -0.203 4.133 4.320 0.027 0.000 0.210 313 K C 2.116 178.657 176.600 -0.098 0.000 1.047 313 K CA 1.907 58.154 56.287 -0.066 0.000 0.932 313 K CB -0.321 32.158 32.500 -0.036 0.000 0.716 313 K HN 0.166 nan 8.250 nan 0.000 0.439 314 E N -0.607 119.541 120.200 -0.087 0.000 2.268 314 E HA -0.243 4.123 4.350 0.027 0.000 0.195 314 E C 1.956 178.482 176.600 -0.124 0.000 0.995 314 E CA 0.924 57.271 56.400 -0.087 0.000 0.836 314 E CB -0.480 29.190 29.700 -0.050 0.000 0.763 314 E HN 0.484 nan 8.360 nan 0.000 0.491 315 Y N 2.439 122.510 120.300 -0.383 0.000 2.220 315 Y HA -0.121 4.445 4.550 0.027 0.000 0.291 315 Y C 1.586 177.278 175.900 -0.346 0.000 1.129 315 Y CA 1.785 59.573 58.100 -0.519 0.000 1.161 315 Y CB -0.104 37.631 38.460 -1.208 0.000 0.997 315 Y HN -0.067 nan 8.280 nan 0.000 0.522 316 D N 0.008 120.160 120.400 -0.413 0.000 2.144 316 D HA -0.151 4.505 4.640 0.027 0.000 0.200 316 D C 1.946 178.067 176.300 -0.298 0.000 0.978 316 D CA 1.465 55.217 54.000 -0.413 0.000 0.833 316 D CB -0.167 40.499 40.800 -0.224 0.000 0.961 316 D HN 0.413 nan 8.370 nan 0.000 0.470 317 E N 1.386 121.458 120.200 -0.213 0.000 2.072 317 E HA -0.080 4.286 4.350 0.027 0.000 0.191 317 E C 1.926 178.419 176.600 -0.178 0.000 0.985 317 E CA 1.324 57.629 56.400 -0.159 0.000 0.801 317 E CB -0.372 29.260 29.700 -0.113 0.000 0.750 317 E HN 0.123 nan 8.360 nan 0.000 0.452 318 A N 1.006 123.705 122.820 -0.202 0.000 1.892 318 A HA -0.248 4.088 4.320 0.027 0.000 0.218 318 A C 2.272 179.717 177.584 -0.231 0.000 1.188 318 A CA 1.995 53.916 52.037 -0.195 0.000 0.631 318 A CB -0.584 18.308 19.000 -0.181 0.000 0.822 318 A HN 0.254 nan 8.150 nan 0.000 0.447 319 R N -0.900 119.404 120.500 -0.327 0.000 2.115 319 R HA -0.067 4.289 4.340 0.027 0.000 0.230 319 R C 2.448 178.621 176.300 -0.212 0.000 1.111 319 R CA 1.305 57.223 56.100 -0.304 0.000 0.976 319 R CB -0.273 29.780 30.300 -0.411 0.000 0.870 319 R HN 0.538 nan 8.270 nan 0.000 0.445 320 R N 0.549 120.935 120.500 -0.190 0.000 2.081 320 R HA -0.084 4.272 4.340 0.027 0.000 0.235 320 R C 2.270 178.499 176.300 -0.119 0.000 1.131 320 R CA 1.377 57.395 56.100 -0.137 0.000 0.960 320 R CB -0.414 29.815 30.300 -0.118 0.000 0.856 320 R HN 0.228 nan 8.270 nan 0.000 0.436 321 I N 0.295 120.791 120.570 -0.124 0.000 2.361 321 I HA -0.171 4.015 4.170 0.027 0.000 0.251 321 I C 2.527 178.578 176.117 -0.110 0.000 1.133 321 I CA 1.341 62.577 61.300 -0.106 0.000 1.413 321 I CB -0.699 37.239 38.000 -0.103 0.000 1.073 321 I HN 0.319 nan 8.210 nan 0.000 0.424 322 G N 0.897 109.617 108.800 -0.133 0.000 2.421 322 G HA2 -0.210 3.766 3.960 0.027 0.000 0.216 322 G HA3 -0.210 3.766 3.960 0.027 0.000 0.216 322 G C 1.827 176.659 174.900 -0.113 0.000 1.171 322 G CA 0.401 45.421 45.100 -0.134 0.000 0.775 322 G HN 0.277 nan 8.290 nan 0.000 0.543 323 R N -0.072 120.361 120.500 -0.112 0.000 2.073 323 R HA 0.022 4.378 4.340 0.027 0.000 0.234 323 R C 2.832 179.090 176.300 -0.070 0.000 1.134 323 R CA 1.134 57.179 56.100 -0.092 0.000 0.952 323 R CB -0.298 29.949 30.300 -0.088 0.000 0.850 323 R HN 0.248 nan 8.270 nan 0.000 0.433 324 R N -0.264 120.194 120.500 -0.070 0.000 2.094 324 R HA -0.150 4.206 4.340 0.027 0.000 0.239 324 R C 2.440 178.713 176.300 -0.045 0.000 1.137 324 R CA 1.632 57.699 56.100 -0.055 0.000 0.943 324 R CB -0.737 29.527 30.300 -0.060 0.000 0.850 324 R HN 0.379 nan 8.270 nan 0.000 0.433 325 G N 0.732 109.499 108.800 -0.056 0.000 2.442 325 G HA2 -0.278 3.698 3.960 0.027 0.000 0.219 325 G HA3 -0.278 3.698 3.960 0.027 0.000 0.219 325 G C 1.383 176.278 174.900 -0.007 0.000 1.141 325 G CA 0.630 45.704 45.100 -0.043 0.000 0.763 325 G HN 0.286 nan 8.290 nan 0.000 0.554 326 R N -0.263 120.226 120.500 -0.018 0.000 2.066 326 R HA 0.024 4.380 4.340 0.027 0.000 0.232 326 R C 2.646 178.964 176.300 0.030 0.000 1.131 326 R CA 1.091 57.196 56.100 0.008 0.000 0.955 326 R CB -0.346 29.925 30.300 -0.049 0.000 0.851 326 R HN 0.301 nan 8.270 nan 0.000 0.432 327 R N 1.447 121.949 120.500 0.004 0.000 2.105 327 R HA -0.154 4.202 4.340 0.027 0.000 0.239 327 R C 1.536 177.859 176.300 0.038 0.000 1.135 327 R CA 1.630 57.739 56.100 0.015 0.000 0.967 327 R CB 0.062 30.359 30.300 -0.005 0.000 0.861 327 R HN 0.296 nan 8.270 nan 0.000 0.442 328 E N -0.042 120.178 120.200 0.033 0.000 2.299 328 E HA -0.119 4.247 4.350 0.027 0.000 0.193 328 E C 1.772 178.423 176.600 0.084 0.000 0.998 328 E CA 0.345 56.770 56.400 0.041 0.000 0.851 328 E CB 0.100 29.806 29.700 0.010 0.000 0.795 328 E HN 0.210 nan 8.360 nan 0.000 0.492 329 L N 0.623 121.921 121.223 0.126 0.000 2.056 329 L HA 0.013 4.369 4.340 0.027 0.000 0.207 329 L C 2.162 179.222 176.870 0.317 0.000 1.078 329 L CA 1.953 56.927 54.840 0.223 0.000 0.749 329 L CB -0.788 41.453 42.059 0.303 0.000 0.901 329 L HN 0.061 nan 8.230 nan 0.000 0.433 330 G N -0.928 108.034 108.800 0.269 0.000 2.469 330 G HA2 -0.287 3.689 3.960 0.027 0.000 0.220 330 G HA3 -0.287 3.689 3.960 0.027 0.000 0.220 330 G C 1.406 176.456 174.900 0.249 0.000 1.136 330 G CA 0.961 46.232 45.100 0.286 0.000 0.759 330 G HN 0.567 nan 8.290 nan 0.000 0.562 331 E N -0.117 120.175 120.200 0.155 0.000 2.110 331 E HA -0.069 4.297 4.350 0.027 0.000 0.193 331 E C 2.670 179.321 176.600 0.086 0.000 0.988 331 E CA 0.775 57.236 56.400 0.102 0.000 0.804 331 E CB -0.103 29.633 29.700 0.061 0.000 0.745 331 E HN 0.324 nan 8.360 nan 0.000 0.458 332 V N 0.675 120.628 119.914 0.066 0.000 2.343 332 V HA -0.226 3.910 4.120 0.027 0.000 0.247 332 V C 1.601 177.632 176.094 -0.106 0.000 1.051 332 V CA 1.530 63.798 62.300 -0.054 0.000 1.036 332 V CB -0.476 31.262 31.823 -0.141 0.000 0.654 332 V HN 0.238 nan 8.190 nan 0.000 0.451 333 F N 0.381 120.364 119.950 0.055 0.000 2.788 333 F HA -0.009 4.517 4.527 -0.001 0.000 0.300 333 F C 2.070 177.890 175.800 0.033 0.000 1.229 333 F CA 0.600 58.625 58.000 0.042 0.000 1.446 333 F CB -0.449 38.584 39.000 0.055 0.000 1.118 333 F HN 0.291 nan 8.300 nan 0.000 0.579 334 E N -0.410 119.875 120.200 0.142 0.000 2.122 334 E HA -0.042 4.325 4.350 0.027 0.000 0.190 334 E C 2.442 179.079 176.600 0.062 0.000 0.977 334 E CA 0.857 57.316 56.400 0.098 0.000 0.820 334 E CB -0.258 29.483 29.700 0.067 0.000 0.770 334 E HN 0.428 nan 8.360 nan 0.000 0.462 335 G N 1.321 110.139 108.800 0.031 0.000 3.042 335 G HA2 0.135 4.111 3.960 0.027 0.000 0.212 335 G HA3 0.135 4.111 3.960 0.027 0.000 0.212 335 G C 0.415 175.314 174.900 -0.001 0.000 1.166 335 G CA 0.276 45.381 45.100 0.009 0.000 0.767 335 G HN 0.132 nan 8.290 nan 0.000 0.546 336 V N -3.956 115.963 119.914 0.009 0.000 3.007 336 V HA 0.546 4.682 4.120 0.027 0.000 0.311 336 V C -0.215 175.940 176.094 0.103 0.000 1.120 336 V CA -0.876 61.424 62.300 0.001 0.000 0.980 336 V CB 2.173 33.940 31.823 -0.093 0.000 1.033 336 V HN -0.069 nan 8.190 nan 0.000 0.429 337 D N 1.145 121.590 120.400 0.075 0.000 2.240 337 D HA 0.165 4.821 4.640 0.027 0.000 0.206 337 D C 0.707 177.062 176.300 0.091 0.000 0.963 337 D CA 1.931 55.997 54.000 0.109 0.000 0.863 337 D CB 1.340 42.185 40.800 0.075 0.000 0.973 337 D HN 0.824 nan 8.370 nan 0.000 0.501 338 V N -2.295 117.640 119.914 0.035 0.000 3.188 338 V HA 0.549 4.685 4.120 0.027 0.000 0.305 338 V C -1.229 174.839 176.094 -0.043 0.000 1.232 338 V CA -1.135 61.199 62.300 0.056 0.000 1.043 338 V CB 2.499 34.256 31.823 -0.110 0.000 1.068 338 V HN -0.170 nan 8.190 nan 0.000 0.439 339 L N 2.045 123.228 121.223 -0.068 0.000 2.342 339 L HA 0.758 5.114 4.340 0.027 0.000 0.271 339 L C -1.138 175.619 176.870 -0.187 0.000 1.008 339 L CA -0.768 53.959 54.840 -0.189 0.000 0.818 339 L CB 1.922 43.809 42.059 -0.287 0.000 1.296 339 L HN 0.683 nan 8.230 nan 0.000 0.427 340 L N 1.794 122.910 121.223 -0.179 0.000 2.381 340 L HA 0.756 5.113 4.340 0.027 0.000 0.274 340 L C -0.454 176.285 176.870 -0.219 0.000 0.988 340 L CA 0.442 55.176 54.840 -0.176 0.000 0.824 340 L CB 1.956 43.939 42.059 -0.127 0.000 1.263 340 L HN 0.665 nan 8.230 nan 0.000 0.410 341 T N 2.275 116.686 114.554 -0.237 0.000 2.647 341 T HA 0.528 4.895 4.350 0.027 0.000 0.295 341 T C -0.985 173.547 174.700 -0.280 0.000 1.126 341 T CA -0.384 61.528 62.100 -0.313 0.000 1.040 341 T CB 0.390 69.186 68.868 -0.120 0.000 1.472 341 T HN 0.324 nan 8.240 nan 0.000 0.500 342 Y N 0.663 120.905 120.300 -0.097 0.000 2.357 342 Y HA 0.322 4.891 4.550 0.031 0.000 0.340 342 Y C 1.859 177.729 175.900 -0.050 0.000 1.260 342 Y CA -0.065 57.942 58.100 -0.154 0.000 1.425 342 Y CB 0.621 38.826 38.460 -0.425 0.000 1.326 342 Y HN 0.472 nan 8.280 nan 0.000 0.580 343 S N 0.073 115.847 115.700 0.125 0.000 2.505 343 S HA 0.524 5.010 4.470 0.027 0.000 0.216 343 S C 0.091 174.746 174.600 0.092 0.000 1.018 343 S CA 0.287 58.542 58.200 0.091 0.000 0.911 343 S CB 0.354 63.576 63.200 0.036 0.000 0.818 343 S HN 0.731 nan 8.310 nan 0.000 0.497 344 A N 0.892 123.767 122.820 0.092 0.000 2.586 344 A HA 0.649 4.985 4.320 0.027 0.000 0.290 344 A C -2.692 174.924 177.584 0.053 0.000 1.086 344 A CA -1.015 51.098 52.037 0.127 0.000 0.665 344 A CB 0.005 19.070 19.000 0.108 0.000 1.279 344 A HN -0.083 nan 8.150 nan 0.000 0.423 345 P HA 0.132 nan 4.420 nan 0.000 0.217 345 P C 0.869 178.143 177.300 -0.042 0.000 1.150 345 P CA 2.109 65.267 63.100 0.097 0.000 0.832 345 P CB 0.251 32.109 31.700 0.264 0.000 0.787 346 G N -2.704 106.140 108.800 0.074 0.000 2.435 346 G HA2 0.326 4.302 3.960 0.027 0.000 0.296 346 G HA3 0.326 4.302 3.960 0.027 0.000 0.296 346 G C -1.031 173.903 174.900 0.058 0.000 1.240 346 G CA -0.083 45.029 45.100 0.020 0.000 0.872 346 G HN 0.032 nan 8.290 nan 0.000 0.480 347 T N -0.597 113.935 114.554 -0.038 0.000 2.855 347 T HA 0.532 4.898 4.350 0.027 0.000 0.314 347 T C 0.919 175.425 174.700 -0.324 0.000 1.077 347 T CA 0.640 62.664 62.100 -0.127 0.000 1.095 347 T CB 0.945 69.723 68.868 -0.151 0.000 0.987 347 T HN 1.947 nan 8.240 nan 0.000 0.546 348 A N 3.419 125.881 122.820 -0.598 0.000 2.546 348 A HA 0.406 4.743 4.320 0.027 0.000 0.243 348 A C -2.035 175.360 177.584 -0.315 0.000 1.063 348 A CA -1.068 50.392 52.037 -0.962 0.000 0.757 348 A CB -0.986 17.606 19.000 -0.681 0.000 0.991 348 A HN 0.719 nan 8.150 nan 0.000 0.503 349 P HA 0.264 nan 4.420 nan 0.000 0.269 349 P C -0.010 177.314 177.300 0.040 0.000 1.209 349 P CA 0.287 63.371 63.100 -0.026 0.000 0.776 349 P CB 0.658 32.347 31.700 -0.019 0.000 0.876 350 A N 3.304 126.094 122.820 -0.050 0.000 2.498 350 A HA 0.021 4.357 4.320 0.027 0.000 0.239 350 A C 1.483 178.960 177.584 -0.179 0.000 1.068 350 A CA 0.105 51.926 52.037 -0.361 0.000 0.766 350 A CB 0.053 18.848 19.000 -0.342 0.000 1.003 350 A HN 0.450 nan 8.150 nan 0.000 0.497 351 K N 1.825 122.115 120.400 -0.184 0.000 2.211 351 K HA -0.192 4.144 4.320 0.027 0.000 0.204 351 K C 2.103 178.669 176.600 -0.056 0.000 1.047 351 K CA 1.572 57.814 56.287 -0.075 0.000 0.935 351 K CB -0.627 31.841 32.500 -0.053 0.000 0.728 351 K HN 0.817 nan 8.250 nan 0.000 0.452 352 A N 1.135 123.907 122.820 -0.080 0.000 2.019 352 A HA -0.104 4.232 4.320 0.027 0.000 0.219 352 A C 2.107 179.674 177.584 -0.030 0.000 1.164 352 A CA 1.011 53.018 52.037 -0.050 0.000 0.644 352 A CB -0.488 18.477 19.000 -0.058 0.000 0.805 352 A HN 0.219 nan 8.150 nan 0.000 0.449 353 L N -1.456 119.749 121.223 -0.030 0.000 2.465 353 L HA 0.068 4.424 4.340 0.027 0.000 0.224 353 L C 1.561 178.435 176.870 0.007 0.000 1.145 353 L CA 0.356 55.191 54.840 -0.008 0.000 0.834 353 L CB -0.617 41.440 42.059 -0.002 0.000 0.944 353 L HN 0.541 nan 8.230 nan 0.000 0.451 354 A N 0.518 123.342 122.820 0.006 0.000 2.610 354 A HA -0.198 4.138 4.320 0.027 0.000 0.299 354 A C 0.511 178.115 177.584 0.034 0.000 1.487 354 A CA 0.948 52.995 52.037 0.018 0.000 0.743 354 A CB -1.701 17.308 19.000 0.015 0.000 1.070 354 A HN 0.397 nan 8.150 nan 0.000 0.439 355 S N -1.175 114.551 115.700 0.044 0.000 2.548 355 S HA 0.666 5.152 4.470 0.027 0.000 0.276 355 S C 0.845 175.505 174.600 0.099 0.000 1.129 355 S CA 0.613 58.854 58.200 0.069 0.000 0.931 355 S CB 1.475 64.717 63.200 0.069 0.000 1.068 355 S HN 1.533 nan 8.310 nan 0.000 0.480 356 T N 0.789 115.419 114.554 0.127 0.000 3.107 356 T HA 0.539 4.905 4.350 0.027 0.000 0.249 356 T C 1.029 175.903 174.700 0.291 0.000 1.096 356 T CA 0.426 62.635 62.100 0.183 0.000 1.012 356 T CB -0.677 68.278 68.868 0.145 0.000 0.977 356 T HN 1.802 nan 8.240 nan 0.000 0.527 357 G N 0.861 109.812 108.800 0.252 0.000 2.650 357 G HA2 0.015 3.991 3.960 0.027 0.000 0.686 357 G HA3 0.015 3.991 3.960 0.027 0.000 0.686 357 G C -1.307 173.714 174.900 0.202 0.000 1.205 357 G CA -0.675 44.616 45.100 0.318 0.000 0.781 357 G HN 0.393 nan 8.290 nan 0.000 0.648 358 D N 1.332 121.845 120.400 0.188 0.000 2.312 358 D HA 0.511 5.167 4.640 0.027 0.000 0.252 358 D C -1.178 175.191 176.300 0.115 0.000 1.150 358 D CA -1.945 52.131 54.000 0.127 0.000 0.870 358 D CB 1.529 42.396 40.800 0.111 0.000 1.153 358 D HN 0.074 nan 8.370 nan 0.000 0.457 359 P HA 0.105 nan 4.420 nan 0.000 0.257 359 P C 0.853 178.172 177.300 0.030 0.000 1.325 359 P CA 0.015 63.144 63.100 0.048 0.000 0.850 359 P CB 0.023 31.729 31.700 0.011 0.000 1.324 360 R N -0.710 119.798 120.500 0.013 0.000 2.127 360 R HA -0.165 4.191 4.340 0.027 0.000 0.238 360 R C 0.831 177.145 176.300 0.023 0.000 1.134 360 R CA 1.598 57.716 56.100 0.030 0.000 0.975 360 R CB -1.434 28.830 30.300 -0.060 0.000 0.865 360 R HN 0.223 nan 8.270 nan 0.000 0.447 361 Y N 0.597 121.021 120.300 0.206 0.000 2.466 361 Y HA 0.215 4.781 4.550 0.026 0.000 0.272 361 Y C 1.434 177.522 175.900 0.314 0.000 1.169 361 Y CA -0.030 58.208 58.100 0.230 0.000 1.285 361 Y CB 0.209 38.788 38.460 0.198 0.000 1.078 361 Y HN 0.193 nan 8.280 nan 0.000 0.523 362 N N 0.013 118.904 118.700 0.319 0.000 2.606 362 N HA -0.018 4.738 4.740 0.027 0.000 0.208 362 N C 1.931 177.530 175.510 0.147 0.000 1.046 362 N CA 0.452 53.686 53.050 0.307 0.000 0.891 362 N CB -0.289 38.306 38.487 0.180 0.000 1.344 362 N HN 0.345 nan 8.380 nan 0.000 0.437 363 R N 1.691 122.142 120.500 -0.083 0.000 2.140 363 R HA -0.160 4.196 4.340 0.027 0.000 0.250 363 R C 2.102 178.166 176.300 -0.393 0.000 1.150 363 R CA 1.523 57.338 56.100 -0.474 0.000 0.966 363 R CB -0.982 28.741 30.300 -0.962 0.000 0.869 363 R HN 0.149 nan 8.270 nan 0.000 0.445 364 L N 0.632 121.698 121.223 -0.261 0.000 2.012 364 L HA -0.120 4.236 4.340 0.027 0.000 0.210 364 L C 1.995 178.655 176.870 -0.350 0.000 1.073 364 L CA 1.740 56.375 54.840 -0.341 0.000 0.748 364 L CB -0.613 41.144 42.059 -0.502 0.000 0.891 364 L HN 0.335 nan 8.230 nan 0.000 0.431 365 W N -0.559 120.826 121.300 0.142 0.000 2.425 365 W HA -0.072 4.607 4.660 0.031 0.000 0.277 365 W C 2.372 178.952 176.519 0.102 0.000 1.231 365 W CA 1.002 58.427 57.345 0.133 0.000 1.248 365 W CB -1.167 28.378 29.460 0.141 0.000 1.117 365 W HN 0.063 nan 8.180 nan 0.000 0.568 366 T N 1.289 115.977 114.554 0.223 0.000 2.821 366 T HA -0.195 4.171 4.350 0.027 0.000 0.267 366 T C 1.741 176.475 174.700 0.057 0.000 1.046 366 T CA 1.256 63.455 62.100 0.164 0.000 1.139 366 T CB -0.495 68.458 68.868 0.141 0.000 0.871 366 T HN 0.008 nan 8.240 nan 0.000 0.454 367 L N 0.509 121.756 121.223 0.040 0.000 2.156 367 L HA 0.142 4.498 4.340 0.027 0.000 0.208 367 L C 2.034 178.846 176.870 -0.098 0.000 1.095 367 L CA 1.523 56.322 54.840 -0.068 0.000 0.770 367 L CB -0.620 41.431 42.059 -0.014 0.000 0.914 367 L HN 0.123 nan 8.230 nan 0.000 0.439 368 M N -0.946 118.664 119.600 0.017 0.000 2.288 368 M HA 0.197 4.693 4.480 0.027 0.000 0.266 368 M C 1.867 178.230 176.300 0.106 0.000 1.072 368 M CA 1.152 56.495 55.300 0.071 0.000 1.132 368 M CB -1.375 31.359 32.600 0.224 0.000 1.386 368 M HN 0.453 nan 8.290 nan 0.000 0.432 369 G N 0.712 109.627 108.800 0.191 0.000 2.195 369 G HA2 -0.240 3.736 3.960 0.027 0.000 0.246 369 G HA3 -0.240 3.736 3.960 0.027 0.000 0.246 369 G C 0.059 175.259 174.900 0.499 0.000 0.984 369 G CA 0.272 45.578 45.100 0.342 0.000 0.633 369 G HN 0.472 nan 8.290 nan 0.000 0.525 370 N N 2.432 121.385 118.700 0.421 0.000 2.374 370 N HA 0.419 5.175 4.740 0.027 0.000 0.241 370 N C -2.025 173.593 175.510 0.180 0.000 1.262 370 N CA -0.314 52.914 53.050 0.296 0.000 0.880 370 N CB 0.610 39.250 38.487 0.254 0.000 1.105 370 N HN 0.252 nan 8.380 nan 0.000 0.438 371 P HA 0.127 nan 4.420 nan 0.000 0.276 371 P C -0.737 176.569 177.300 0.009 0.000 1.230 371 P CA -0.156 62.963 63.100 0.031 0.000 0.776 371 P CB 0.477 32.172 31.700 -0.009 0.000 0.888 372 C N 3.150 122.455 119.300 0.009 0.000 2.563 372 C HA 0.641 5.117 4.460 0.027 0.000 0.314 372 C C 0.003 174.965 174.990 -0.047 0.000 1.199 372 C CA -0.414 58.583 59.018 -0.036 0.000 1.564 372 C CB 1.743 29.479 27.740 -0.007 0.000 2.173 372 C HN 0.359 nan 8.230 nan 0.000 0.485 373 V N 3.260 123.137 119.914 -0.062 0.000 2.709 373 V HA 0.478 4.614 4.120 0.027 0.000 0.308 373 V C -0.461 175.598 176.094 -0.058 0.000 1.062 373 V CA -0.540 61.724 62.300 -0.060 0.000 0.901 373 V CB 1.888 33.691 31.823 -0.034 0.000 1.003 373 V HN 0.884 nan 8.190 nan 0.000 0.425 374 N N 3.115 121.777 118.700 -0.064 0.000 2.422 374 N HA 0.402 5.158 4.740 0.027 0.000 0.266 374 N C -1.333 174.160 175.510 -0.028 0.000 1.007 374 N CA -0.154 52.871 53.050 -0.042 0.000 0.941 374 N CB 1.917 40.381 38.487 -0.038 0.000 1.115 374 N HN 0.434 nan 8.380 nan 0.000 0.492 375 V N 5.905 125.809 119.914 -0.017 0.000 2.313 375 V HA 0.327 4.463 4.120 0.027 0.000 0.278 375 V C -2.102 173.988 176.094 -0.007 0.000 1.017 375 V CA -1.810 60.484 62.300 -0.009 0.000 0.823 375 V CB 1.325 33.149 31.823 0.002 0.000 1.010 375 V HN 0.651 nan 8.190 nan 0.000 0.443 376 P HA 0.068 nan 4.420 nan 0.000 0.262 376 P C 0.432 177.725 177.300 -0.013 0.000 1.182 376 P CA 0.517 63.613 63.100 -0.006 0.000 0.761 376 P CB 1.080 32.779 31.700 -0.002 0.000 0.795 377 V N 3.046 122.950 119.914 -0.017 0.000 2.948 377 V HA 0.186 4.322 4.120 0.027 0.000 0.234 377 V C 0.601 176.680 176.094 -0.024 0.000 1.205 377 V CA 1.074 63.363 62.300 -0.019 0.000 1.234 377 V CB -0.339 31.475 31.823 -0.016 0.000 1.020 377 V HN 0.445 nan 8.190 nan 0.000 0.491 378 L N -2.180 119.025 121.223 -0.030 0.000 2.910 378 L HA 0.714 5.070 4.340 0.027 0.000 0.271 378 L C -1.309 175.528 176.870 -0.056 0.000 1.056 378 L CA -1.202 53.616 54.840 -0.036 0.000 1.006 378 L CB 1.350 43.392 42.059 -0.028 0.000 1.589 378 L HN -0.083 nan 8.230 nan 0.000 0.365 379 K N -0.115 120.250 120.400 -0.057 0.000 2.513 379 K HA 0.799 5.135 4.320 0.027 0.000 0.251 379 K C -1.777 174.786 176.600 -0.063 0.000 0.939 379 K CA -0.731 55.508 56.287 -0.080 0.000 0.793 379 K CB 2.861 35.303 32.500 -0.095 0.000 1.241 379 K HN 0.429 nan 8.250 nan 0.000 0.431 380 V N 1.591 121.462 119.914 -0.071 0.000 2.417 380 V HA 0.439 4.575 4.120 0.027 0.000 0.291 380 V C 1.021 177.072 176.094 -0.072 0.000 1.024 380 V CA -0.144 62.121 62.300 -0.059 0.000 0.861 380 V CB 1.111 32.903 31.823 -0.051 0.000 0.985 380 V HN 1.060 nan 8.190 nan 0.000 0.436 381 G N 3.565 112.333 108.800 -0.053 0.000 2.233 381 G HA2 -0.012 3.965 3.960 0.027 0.000 0.270 381 G HA3 -0.012 3.965 3.960 0.027 0.000 0.270 381 G C 1.190 176.049 174.900 -0.068 0.000 1.011 381 G CA 0.966 46.035 45.100 -0.052 0.000 0.762 381 G HN 2.254 nan 8.290 nan 0.000 0.511 382 G N -2.356 106.403 108.800 -0.068 0.000 2.234 382 G HA2 -0.152 3.825 3.960 0.027 0.000 0.235 382 G HA3 -0.152 3.825 3.960 0.027 0.000 0.235 382 G C 0.268 175.102 174.900 -0.110 0.000 0.997 382 G CA 0.328 45.391 45.100 -0.062 0.000 0.623 382 G HN 1.149 nan 8.290 nan 0.000 0.514 383 L N 1.857 122.978 121.223 -0.171 0.000 2.276 383 L HA 0.447 4.803 4.340 0.027 0.000 0.286 383 L C -1.958 174.791 176.870 -0.202 0.000 1.061 383 L CA -1.721 52.983 54.840 -0.227 0.000 0.807 383 L CB 0.721 42.597 42.059 -0.305 0.000 1.177 383 L HN -0.080 nan 8.230 nan 0.000 0.429 384 P HA 0.190 nan 4.420 nan 0.000 0.269 384 P C -0.626 176.631 177.300 -0.073 0.000 1.215 384 P CA 0.064 63.038 63.100 -0.209 0.000 0.780 384 P CB 0.792 32.297 31.700 -0.325 0.000 0.898 385 I N 1.569 122.113 120.570 -0.042 0.000 2.571 385 I HA 0.476 4.662 4.170 0.027 0.000 0.289 385 I C 0.432 176.555 176.117 0.009 0.000 1.115 385 I CA -0.129 61.175 61.300 0.007 0.000 1.045 385 I CB 1.620 39.618 38.000 -0.003 0.000 1.238 385 I HN 0.428 nan 8.210 nan 0.000 0.424 386 G N 4.853 113.671 108.800 0.031 0.000 2.630 386 G HA2 0.776 4.752 3.960 0.027 0.000 0.296 386 G HA3 0.776 4.752 3.960 0.027 0.000 0.296 386 G C -0.819 174.092 174.900 0.018 0.000 1.285 386 G CA -0.540 44.570 45.100 0.016 0.000 0.958 386 G HN 0.445 nan 8.290 nan 0.000 0.479 387 V N -2.048 117.864 119.914 -0.004 0.000 2.994 387 V HA 0.796 4.932 4.120 0.027 0.000 0.318 387 V C -0.390 175.682 176.094 -0.037 0.000 1.085 387 V CA -1.071 61.213 62.300 -0.027 0.000 0.998 387 V CB 1.652 33.444 31.823 -0.052 0.000 1.063 387 V HN 0.831 nan 8.190 nan 0.000 0.447 388 Q N 1.190 120.950 119.800 -0.066 0.000 2.333 388 Q HA 0.654 5.010 4.340 0.027 0.000 0.268 388 Q C -1.756 174.161 176.000 -0.138 0.000 1.007 388 Q CA -0.612 55.138 55.803 -0.088 0.000 0.810 388 Q CB 2.133 30.824 28.738 -0.078 0.000 1.264 388 Q HN 0.782 nan 8.270 nan 0.000 0.452 389 V N 6.365 126.212 119.914 -0.113 0.000 2.407 389 V HA 0.444 4.580 4.120 0.027 0.000 0.278 389 V C -0.163 175.845 176.094 -0.144 0.000 1.037 389 V CA -0.337 61.895 62.300 -0.113 0.000 0.900 389 V CB 1.126 32.917 31.823 -0.053 0.000 0.983 389 V HN 0.703 nan 8.190 nan 0.000 0.459 390 I N 4.159 124.627 120.570 -0.170 0.000 2.498 390 I HA 0.815 5.001 4.170 0.027 0.000 0.290 390 I C 0.155 176.295 176.117 0.038 0.000 1.032 390 I CA -0.490 60.722 61.300 -0.147 0.000 1.073 390 I CB 1.964 39.725 38.000 -0.398 0.000 1.251 390 I HN 0.657 nan 8.210 nan 0.000 0.426 391 A N 5.555 128.357 122.820 -0.030 0.000 2.344 391 A HA 0.700 5.036 4.320 0.027 0.000 0.307 391 A C -0.273 176.941 177.584 -0.617 0.000 1.151 391 A CA -0.795 51.149 52.037 -0.155 0.000 0.842 391 A CB 1.304 20.220 19.000 -0.140 0.000 1.350 391 A HN 0.780 nan 8.150 nan 0.000 0.459 392 R N -0.190 119.715 120.500 -0.992 0.000 2.698 392 R HA 0.099 4.455 4.340 0.027 0.000 0.266 392 R C -0.568 175.534 176.300 -0.329 0.000 1.026 392 R CA -0.129 55.400 56.100 -0.952 0.000 1.102 392 R CB 0.041 30.000 30.300 -0.567 0.000 0.978 392 R HN 0.623 nan 8.270 nan 0.000 0.436 393 F N 3.407 123.203 119.950 -0.258 0.000 2.623 393 F HA 0.128 4.669 4.527 0.024 0.000 0.383 393 F C 1.247 177.010 175.800 -0.061 0.000 1.077 393 F CA 1.969 59.919 58.000 -0.082 0.000 1.268 393 F CB 0.495 39.489 39.000 -0.010 0.000 1.053 393 F HN 0.832 nan 8.300 nan 0.000 0.571 394 G N 4.066 112.354 108.800 -0.852 0.000 2.213 394 G HA2 -0.303 3.673 3.960 0.027 0.000 0.236 394 G HA3 -0.303 3.673 3.960 0.027 0.000 0.236 394 G C 0.400 175.122 174.900 -0.297 0.000 0.991 394 G CA 0.111 44.855 45.100 -0.593 0.000 0.629 394 G HN 0.659 nan 8.290 nan 0.000 0.517 395 N N 1.375 119.944 118.700 -0.220 0.000 2.920 395 N HA 0.275 5.031 4.740 0.027 0.000 0.310 395 N C 0.291 175.760 175.510 -0.067 0.000 1.384 395 N CA 0.320 53.296 53.050 -0.124 0.000 1.083 395 N CB 0.487 38.928 38.487 -0.075 0.000 1.389 395 N HN 0.340 nan 8.380 nan 0.000 0.521 396 D N 1.328 121.689 120.400 -0.065 0.000 2.149 396 D HA -0.134 4.522 4.640 0.027 0.000 0.198 396 D C 2.013 178.403 176.300 0.150 0.000 0.990 396 D CA 0.993 55.034 54.000 0.069 0.000 0.839 396 D CB 0.157 41.086 40.800 0.214 0.000 0.948 396 D HN 0.354 nan 8.370 nan 0.000 0.460 397 A N -0.024 122.838 122.820 0.070 0.000 1.908 397 A HA -0.279 4.057 4.320 0.027 0.000 0.218 397 A C 2.023 179.709 177.584 0.170 0.000 1.181 397 A CA 1.850 53.955 52.037 0.112 0.000 0.627 397 A CB -0.975 17.980 19.000 -0.075 0.000 0.818 397 A HN 0.469 nan 8.150 nan 0.000 0.445 398 H N -0.957 118.114 119.070 0.002 0.000 2.395 398 H HA 0.043 4.594 4.556 -0.009 0.000 0.299 398 H C 2.364 177.713 175.328 0.035 0.000 1.070 398 H CA 0.775 56.828 56.048 0.007 0.000 1.356 398 H CB 0.020 29.766 29.762 -0.027 0.000 1.401 398 H HN 0.485 nan 8.280 nan 0.000 0.524 399 A N 0.972 123.838 122.820 0.076 0.000 1.917 399 A HA -0.178 4.158 4.320 0.027 0.000 0.219 399 A C 2.416 180.043 177.584 0.070 0.000 1.182 399 A CA 1.466 53.505 52.037 0.002 0.000 0.633 399 A CB -0.798 18.201 19.000 -0.002 0.000 0.819 399 A HN 0.436 nan 8.150 nan 0.000 0.448 400 L N -1.123 120.182 121.223 0.137 0.000 2.156 400 L HA -0.115 4.241 4.340 0.027 0.000 0.208 400 L C 3.065 180.102 176.870 0.278 0.000 1.095 400 L CA 0.809 55.753 54.840 0.174 0.000 0.770 400 L CB -0.497 41.675 42.059 0.188 0.000 0.914 400 L HN 0.434 nan 8.230 nan 0.000 0.439 401 A N -0.189 122.804 122.820 0.288 0.000 1.877 401 A HA -0.196 4.140 4.320 0.027 0.000 0.216 401 A C 2.372 180.132 177.584 0.294 0.000 1.186 401 A CA 2.379 54.602 52.037 0.311 0.000 0.620 401 A CB -0.941 18.223 19.000 0.274 0.000 0.822 401 A HN 0.359 nan 8.150 nan 0.000 0.443 402 T N 0.265 114.938 114.554 0.198 0.000 2.821 402 T HA 0.041 4.407 4.350 0.027 0.000 0.267 402 T C 2.173 177.032 174.700 0.265 0.000 1.046 402 T CA 1.381 63.564 62.100 0.138 0.000 1.139 402 T CB -0.388 68.425 68.868 -0.091 0.000 0.871 402 T HN 0.582 nan 8.240 nan 0.000 0.454 403 A N 1.066 124.007 122.820 0.202 0.000 1.902 403 A HA -0.099 4.237 4.320 0.027 0.000 0.217 403 A C 2.096 179.835 177.584 0.258 0.000 1.181 403 A CA 1.146 53.288 52.037 0.175 0.000 0.623 403 A CB -0.926 18.133 19.000 0.098 0.000 0.818 403 A HN 0.629 nan 8.150 nan 0.000 0.443 404 W N 0.295 121.653 121.300 0.096 0.000 2.354 404 W HA -0.224 4.454 4.660 0.029 0.000 0.315 404 W C 1.997 178.570 176.519 0.089 0.000 1.206 404 W CA 1.455 58.847 57.345 0.079 0.000 1.290 404 W CB -1.225 28.288 29.460 0.089 0.000 1.152 404 W HN 0.461 nan 8.180 nan 0.000 0.489 405 F N 0.969 121.062 119.950 0.238 0.000 2.120 405 F HA -0.275 4.286 4.527 0.057 0.000 0.300 405 F C 2.345 178.202 175.800 0.095 0.000 1.095 405 F CA 2.488 60.541 58.000 0.090 0.000 1.249 405 F CB -0.978 38.046 39.000 0.039 0.000 0.995 405 F HN -0.119 nan 8.300 nan 0.000 0.480 406 L N 0.245 121.509 121.223 0.069 0.000 2.093 406 L HA -0.181 4.175 4.340 0.027 0.000 0.208 406 L C 2.374 179.182 176.870 -0.104 0.000 1.085 406 L CA 1.660 56.442 54.840 -0.096 0.000 0.755 406 L CB -0.503 41.626 42.059 0.116 0.000 0.904 406 L HN 0.258 nan 8.230 nan 0.000 0.435 407 E N -0.207 120.002 120.200 0.015 0.000 2.051 407 E HA -0.244 4.122 4.350 0.027 0.000 0.192 407 E C 1.683 178.276 176.600 -0.013 0.000 0.991 407 E CA 1.504 57.913 56.400 0.015 0.000 0.799 407 E CB -0.092 29.638 29.700 0.050 0.000 0.748 407 E HN 0.559 nan 8.360 nan 0.000 0.449 408 D N 0.626 121.026 120.400 0.001 0.000 2.117 408 D HA -0.116 4.540 4.640 0.027 0.000 0.198 408 D C 1.948 178.161 176.300 -0.146 0.000 0.982 408 D CA 1.181 55.159 54.000 -0.037 0.000 0.828 408 D CB -0.306 40.484 40.800 -0.017 0.000 0.967 408 D HN 0.144 nan 8.370 nan 0.000 0.464 409 A N 1.138 123.772 122.820 -0.310 0.000 1.892 409 A HA -0.174 4.162 4.320 0.027 0.000 0.218 409 A C 2.416 179.898 177.584 -0.170 0.000 1.188 409 A CA 1.163 52.997 52.037 -0.338 0.000 0.631 409 A CB -0.925 17.734 19.000 -0.569 0.000 0.822 409 A HN 0.218 nan 8.150 nan 0.000 0.447 410 L N -0.988 120.157 121.223 -0.129 0.000 2.141 410 L HA -0.142 4.214 4.340 0.027 0.000 0.209 410 L C 2.751 179.589 176.870 -0.053 0.000 1.094 410 L CA 0.893 55.689 54.840 -0.073 0.000 0.763 410 L CB -0.425 41.602 42.059 -0.053 0.000 0.908 410 L HN 0.430 nan 8.230 nan 0.000 0.437 411 A N -1.027 121.763 122.820 -0.050 0.000 2.252 411 A HA 0.025 4.361 4.320 0.027 0.000 0.207 411 A C 0.509 178.073 177.584 -0.034 0.000 1.194 411 A CA 0.238 52.257 52.037 -0.030 0.000 0.809 411 A CB -0.192 18.799 19.000 -0.015 0.000 0.814 411 A HN 0.313 nan 8.150 nan 0.000 0.482 412 K N 0.000 120.369 120.400 -0.051 0.000 2.780 412 K HA 0.000 4.336 4.320 0.027 0.000 0.191 412 K CA 0.000 56.258 56.287 -0.048 0.000 0.838 412 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543