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 1o87_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMG 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 0.000 176.278 176.300 -0.037 0.000 1.140 1 M CA 0.000 55.248 55.300 -0.086 0.000 0.988 1 M CB 0.000 32.450 32.600 -0.251 0.000 1.302 2 F N 2.142 122.110 119.950 0.029 0.000 3.040 2 F HA -0.325 4.202 4.527 -0.000 0.000 0.298 2 F C 1.256 177.065 175.800 0.015 0.000 0.948 2 F CA 0.769 58.782 58.000 0.021 0.000 1.022 2 F CB -1.138 37.877 39.000 0.024 0.000 1.023 2 F HN 0.844 nan 8.300 nan 0.000 0.742 3 Q N 1.154 121.058 119.800 0.174 0.000 2.077 3 Q HA -0.302 4.038 4.340 -0.000 0.000 0.206 3 Q C 2.154 178.201 176.000 0.078 0.000 0.989 3 Q CA 2.309 58.171 55.803 0.098 0.000 0.853 3 Q CB -0.155 28.625 28.738 0.070 0.000 0.907 3 Q HN 0.813 nan 8.270 nan 0.000 0.418 4 Q N -0.108 119.732 119.800 0.067 0.000 2.030 4 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 4 Q C 2.238 178.262 176.000 0.039 0.000 0.986 4 Q CA 1.666 57.493 55.803 0.040 0.000 0.843 4 Q CB -0.218 28.533 28.738 0.021 0.000 0.904 4 Q HN 0.498 nan 8.270 nan 0.000 0.420 5 L N 0.642 121.895 121.223 0.050 0.000 2.046 5 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 5 L C 2.467 179.375 176.870 0.064 0.000 1.077 5 L CA 2.389 57.252 54.840 0.038 0.000 0.747 5 L CB -1.033 41.048 42.059 0.037 0.000 0.896 5 L HN 0.211 nan 8.230 nan 0.000 0.432 6 S N -0.836 114.924 115.700 0.100 0.000 2.359 6 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 6 S C 2.117 176.753 174.600 0.060 0.000 1.035 6 S CA 1.428 59.681 58.200 0.088 0.000 1.018 6 S CB -0.509 62.742 63.200 0.085 0.000 0.876 6 S HN 0.691 nan 8.310 nan 0.000 0.448 7 A N 2.005 124.855 122.820 0.050 0.000 1.898 7 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 7 A C 2.228 179.831 177.584 0.031 0.000 1.181 7 A CA 0.998 53.057 52.037 0.037 0.000 0.620 7 A CB -0.486 18.532 19.000 0.031 0.000 0.819 7 A HN 0.476 nan 8.150 nan 0.000 0.442 8 R N -0.215 120.301 120.500 0.027 0.000 2.092 8 R HA 0.008 4.348 4.340 -0.000 0.000 0.231 8 R C 2.010 178.326 176.300 0.026 0.000 1.119 8 R CA 1.033 57.145 56.100 0.019 0.000 0.970 8 R CB -0.920 29.383 30.300 0.005 0.000 0.864 8 R HN 0.565 nan 8.270 nan 0.000 0.440 9 L N 0.759 122.003 121.223 0.036 0.000 2.072 9 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 9 L C 2.556 179.460 176.870 0.057 0.000 1.079 9 L CA 1.309 56.181 54.840 0.053 0.000 0.752 9 L CB -0.433 41.671 42.059 0.074 0.000 0.906 9 L HN 0.185 nan 8.230 nan 0.000 0.436 10 Q N -0.148 119.684 119.800 0.053 0.000 2.167 10 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 10 Q C 2.027 178.049 176.000 0.036 0.000 0.970 10 Q CA 1.279 57.110 55.803 0.046 0.000 0.855 10 Q CB -0.021 28.742 28.738 0.042 0.000 0.911 10 Q HN 0.528 nan 8.270 nan 0.000 0.438 11 E N 0.619 120.837 120.200 0.031 0.000 2.106 11 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 11 E C 1.947 178.562 176.600 0.026 0.000 0.984 11 E CA 0.899 57.314 56.400 0.025 0.000 0.806 11 E CB -0.079 29.633 29.700 0.021 0.000 0.750 11 E HN 0.346 nan 8.360 nan 0.000 0.458 12 A N 0.766 123.605 122.820 0.031 0.000 1.933 12 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 12 A C 2.113 179.718 177.584 0.034 0.000 1.175 12 A CA 1.060 53.116 52.037 0.032 0.000 0.628 12 A CB -0.403 18.621 19.000 0.039 0.000 0.814 12 A HN 0.135 nan 8.150 nan 0.000 0.444 13 I N -0.458 120.135 120.570 0.039 0.000 2.286 13 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 13 I C 2.678 178.811 176.117 0.027 0.000 1.104 13 I CA 1.078 62.400 61.300 0.036 0.000 1.397 13 I CB -0.441 37.585 38.000 0.044 0.000 1.072 13 I HN 0.357 nan 8.210 nan 0.000 0.417 14 G N 0.305 109.120 108.800 0.024 0.000 2.469 14 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 14 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 14 G C 1.808 176.718 174.900 0.016 0.000 1.136 14 G CA 0.633 45.744 45.100 0.018 0.000 0.759 14 G HN 0.258 nan 8.290 nan 0.000 0.562 15 R N -0.538 119.972 120.500 0.017 0.000 2.152 15 R HA 0.097 4.436 4.340 -0.000 0.000 0.232 15 R C 2.464 178.772 176.300 0.013 0.000 1.117 15 R CA 0.735 56.844 56.100 0.014 0.000 0.981 15 R CB -0.215 30.094 30.300 0.015 0.000 0.870 15 R HN 0.375 nan 8.270 nan 0.000 0.451 16 L N -0.446 120.787 121.223 0.015 0.000 2.209 16 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 16 L C 1.188 178.064 176.870 0.011 0.000 1.094 16 L CA 0.171 55.019 54.840 0.014 0.000 0.790 16 L CB -0.108 41.961 42.059 0.016 0.000 0.932 16 L HN 0.051 nan 8.230 nan 0.000 0.447 17 R N 0.555 121.062 120.500 0.011 0.000 2.489 17 R HA 0.172 4.512 4.340 -0.000 0.000 0.287 17 R C 0.938 177.242 176.300 0.007 0.000 1.053 17 R CA 0.932 57.038 56.100 0.008 0.000 1.036 17 R CB 0.304 30.609 30.300 0.009 0.000 0.966 17 R HN 0.301 nan 8.270 nan 0.000 0.432 18 G N 3.793 112.595 108.800 0.005 0.000 2.155 18 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 18 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 18 G C 0.525 175.428 174.900 0.004 0.000 0.983 18 G CA 0.331 45.433 45.100 0.004 0.000 0.676 18 G HN 0.652 nan 8.290 nan 0.000 0.528 19 R N -0.064 120.439 120.500 0.005 0.000 2.476 19 R HA 0.451 4.791 4.340 -0.000 0.000 0.276 19 R C 1.365 177.668 176.300 0.005 0.000 0.941 19 R CA 0.777 56.880 56.100 0.005 0.000 1.088 19 R CB 0.477 30.780 30.300 0.006 0.000 1.216 19 R HN 1.600 nan 8.270 nan 0.000 0.533 20 G N 2.186 110.988 108.800 0.004 0.000 2.615 20 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 20 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 20 G C -0.757 174.146 174.900 0.005 0.000 1.339 20 G CA -0.347 44.755 45.100 0.004 0.000 0.884 20 G HN 0.337 nan 8.290 nan 0.000 0.559 21 R N 0.173 120.675 120.500 0.004 0.000 2.570 21 R HA 0.414 4.754 4.340 -0.000 0.000 0.277 21 R C 1.031 177.335 176.300 0.005 0.000 1.039 21 R CA 0.488 56.591 56.100 0.004 0.000 1.065 21 R CB -0.163 30.139 30.300 0.003 0.000 0.964 21 R HN 0.900 nan 8.270 nan 0.000 0.428 22 I N 0.602 121.175 120.570 0.006 0.000 2.607 22 I HA 0.493 4.663 4.170 -0.000 0.000 0.305 22 I C 0.259 176.380 176.117 0.006 0.000 0.995 22 I CA -0.965 60.339 61.300 0.007 0.000 1.148 22 I CB 2.000 40.005 38.000 0.009 0.000 1.323 22 I HN 0.675 nan 8.210 nan 0.000 0.461 23 T N -0.457 114.101 114.554 0.006 0.000 2.824 23 T HA 0.225 4.575 4.350 -0.000 0.000 0.277 23 T C 0.850 175.554 174.700 0.007 0.000 0.975 23 T CA -0.123 61.981 62.100 0.006 0.000 0.966 23 T CB 1.500 70.372 68.868 0.005 0.000 1.054 23 T HN 0.899 nan 8.240 nan 0.000 0.533 24 E N -0.096 120.107 120.200 0.006 0.000 2.118 24 E HA -0.206 4.143 4.350 -0.000 0.000 0.195 24 E C 1.822 178.427 176.600 0.008 0.000 0.992 24 E CA 1.135 57.539 56.400 0.007 0.000 0.804 24 E CB 0.005 29.708 29.700 0.006 0.000 0.741 24 E HN 0.632 nan 8.360 nan 0.000 0.458 25 E N 0.846 121.050 120.200 0.007 0.000 2.106 25 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 25 E C 1.772 178.378 176.600 0.009 0.000 0.984 25 E CA 0.880 57.285 56.400 0.008 0.000 0.806 25 E CB -0.206 29.498 29.700 0.006 0.000 0.750 25 E HN 0.365 nan 8.360 nan 0.000 0.458 26 D N 0.771 121.176 120.400 0.009 0.000 2.104 26 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 26 D C 2.095 178.403 176.300 0.013 0.000 0.994 26 D CA 0.573 54.580 54.000 0.011 0.000 0.830 26 D CB -0.315 40.491 40.800 0.010 0.000 0.959 26 D HN 0.093 nan 8.370 nan 0.000 0.452 27 L N 1.536 122.767 121.223 0.013 0.000 2.012 27 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 27 L C 1.924 178.805 176.870 0.018 0.000 1.073 27 L CA 1.825 56.674 54.840 0.016 0.000 0.748 27 L CB -0.407 41.660 42.059 0.014 0.000 0.891 27 L HN -0.114 nan 8.230 nan 0.000 0.431 28 K N -0.504 119.905 120.400 0.015 0.000 2.103 28 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 28 K C 2.032 178.642 176.600 0.017 0.000 1.048 28 K CA 1.404 57.700 56.287 0.016 0.000 0.930 28 K CB -0.432 32.075 32.500 0.012 0.000 0.716 28 K HN 0.519 nan 8.250 nan 0.000 0.444 29 A N 1.051 123.880 122.820 0.015 0.000 1.898 29 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 29 A C 2.283 179.879 177.584 0.019 0.000 1.181 29 A CA 1.903 53.949 52.037 0.015 0.000 0.620 29 A CB -0.882 18.126 19.000 0.013 0.000 0.819 29 A HN 0.229 nan 8.150 nan 0.000 0.442 30 T N 0.652 115.220 114.554 0.022 0.000 2.746 30 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 30 T C 1.804 176.527 174.700 0.038 0.000 1.039 30 T CA 1.498 63.616 62.100 0.029 0.000 1.142 30 T CB -0.422 68.464 68.868 0.031 0.000 0.866 30 T HN 0.369 nan 8.240 nan 0.000 0.444 31 L N 0.326 121.572 121.223 0.038 0.000 2.042 31 L HA -0.124 4.215 4.340 -0.000 0.000 0.210 31 L C 2.825 179.719 176.870 0.040 0.000 1.076 31 L CA 1.478 56.346 54.840 0.048 0.000 0.749 31 L CB -0.469 41.614 42.059 0.041 0.000 0.893 31 L HN 0.175 nan 8.230 nan 0.000 0.432 32 R N -0.074 120.442 120.500 0.026 0.000 2.092 32 R HA -0.144 4.196 4.340 -0.000 0.000 0.231 32 R C 2.156 178.464 176.300 0.013 0.000 1.119 32 R CA 1.095 57.205 56.100 0.017 0.000 0.970 32 R CB -0.219 30.088 30.300 0.012 0.000 0.864 32 R HN 0.391 nan 8.270 nan 0.000 0.440 33 E N 0.557 120.767 120.200 0.017 0.000 2.118 33 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 33 E C 1.855 178.461 176.600 0.011 0.000 0.992 33 E CA 1.160 57.569 56.400 0.014 0.000 0.804 33 E CB -0.065 29.646 29.700 0.019 0.000 0.741 33 E HN 0.331 nan 8.360 nan 0.000 0.458 34 I N 0.310 120.896 120.570 0.026 0.000 2.202 34 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 34 I C 2.646 178.748 176.117 -0.024 0.000 1.091 34 I CA 0.870 62.185 61.300 0.025 0.000 1.368 34 I CB -0.172 37.889 38.000 0.102 0.000 1.058 34 I HN 0.007 nan 8.210 nan 0.000 0.410 35 R N 1.087 121.585 120.500 -0.003 0.000 2.096 35 R HA -0.204 4.135 4.340 -0.000 0.000 0.240 35 R C 2.485 178.759 176.300 -0.044 0.000 1.139 35 R CA 1.740 57.826 56.100 -0.023 0.000 0.952 35 R CB -0.148 30.153 30.300 0.001 0.000 0.854 35 R HN 0.220 nan 8.270 nan 0.000 0.436 36 R N -0.425 120.058 120.500 -0.028 0.000 2.081 36 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 36 R C 2.340 178.615 176.300 -0.043 0.000 1.131 36 R CA 1.473 57.556 56.100 -0.029 0.000 0.960 36 R CB -0.348 29.942 30.300 -0.016 0.000 0.856 36 R HN 0.309 nan 8.270 nan 0.000 0.436 37 A N 1.070 123.861 122.820 -0.049 0.000 1.902 37 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 37 A C 2.159 179.685 177.584 -0.096 0.000 1.181 37 A CA 1.141 53.142 52.037 -0.058 0.000 0.623 37 A CB -0.513 18.457 19.000 -0.050 0.000 0.818 37 A HN 0.176 nan 8.150 nan 0.000 0.443 38 L N -1.230 119.907 121.223 -0.142 0.000 2.017 38 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 38 L C 2.802 179.596 176.870 -0.127 0.000 1.073 38 L CA 1.215 55.941 54.840 -0.190 0.000 0.745 38 L CB -0.523 41.375 42.059 -0.268 0.000 0.894 38 L HN 0.309 nan 8.230 nan 0.000 0.432 39 M N -0.633 118.912 119.600 -0.092 0.000 2.132 39 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 39 M C 1.786 178.050 176.300 -0.060 0.000 1.065 39 M CA 1.518 56.778 55.300 -0.067 0.000 1.122 39 M CB -1.196 31.376 32.600 -0.047 0.000 1.365 39 M HN 0.161 nan 8.290 nan 0.000 0.411 40 D N 0.401 120.768 120.400 -0.055 0.000 2.264 40 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 40 D C 1.514 177.780 176.300 -0.056 0.000 0.966 40 D CA 1.005 54.978 54.000 -0.046 0.000 0.864 40 D CB -0.075 40.704 40.800 -0.035 0.000 0.933 40 D HN 0.332 nan 8.370 nan 0.000 0.499 41 A N 0.414 123.188 122.820 -0.078 0.000 2.302 41 A HA 0.063 4.383 4.320 -0.000 0.000 0.219 41 A C 0.483 178.000 177.584 -0.112 0.000 1.243 41 A CA 0.340 52.317 52.037 -0.099 0.000 0.856 41 A CB -0.078 18.848 19.000 -0.123 0.000 0.893 41 A HN 0.034 nan 8.150 nan 0.000 0.491 42 D N -1.655 118.693 120.400 -0.087 0.000 2.907 42 D HA -0.133 4.507 4.640 -0.000 0.000 0.226 42 D C -0.339 175.909 176.300 -0.087 0.000 1.141 42 D CA 0.840 54.793 54.000 -0.078 0.000 0.779 42 D CB -1.942 38.813 40.800 -0.076 0.000 1.095 42 D HN 0.204 nan 8.370 nan 0.000 0.430 43 V N 1.172 121.027 119.914 -0.098 0.000 2.775 43 V HA 0.105 4.225 4.120 -0.000 0.000 0.299 43 V C 1.295 177.353 176.094 -0.060 0.000 1.062 43 V CA -0.382 61.861 62.300 -0.095 0.000 1.063 43 V CB 1.433 33.177 31.823 -0.131 0.000 0.994 43 V HN 0.420 nan 8.190 nan 0.000 0.483 44 N N 3.115 121.793 118.700 -0.037 0.000 2.412 44 N HA 0.008 4.748 4.740 -0.000 0.000 0.258 44 N C 1.015 176.516 175.510 -0.015 0.000 1.236 44 N CA 0.041 53.087 53.050 -0.007 0.000 0.882 44 N CB 0.793 39.302 38.487 0.037 0.000 1.066 44 N HN 0.644 nan 8.380 nan 0.000 0.465 45 L N 2.836 124.054 121.223 -0.008 0.000 2.013 45 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 45 L C 2.418 179.279 176.870 -0.014 0.000 1.073 45 L CA 1.875 56.708 54.840 -0.012 0.000 0.753 45 L CB -0.372 41.685 42.059 -0.003 0.000 0.890 45 L HN 0.707 nan 8.230 nan 0.000 0.432 46 E N -0.473 119.725 120.200 -0.004 0.000 2.106 46 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 46 E C 1.980 178.507 176.600 -0.122 0.000 0.984 46 E CA 1.374 57.754 56.400 -0.033 0.000 0.806 46 E CB -0.172 29.547 29.700 0.032 0.000 0.750 46 E HN 0.238 nan 8.360 nan 0.000 0.458 47 V N 0.896 120.736 119.914 -0.123 0.000 2.343 47 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 47 V C 2.405 178.486 176.094 -0.021 0.000 1.051 47 V CA 1.767 63.989 62.300 -0.130 0.000 1.036 47 V CB -0.935 30.856 31.823 -0.053 0.000 0.654 47 V HN 0.498 nan 8.190 nan 0.000 0.451 48 A N -0.035 122.768 122.820 -0.028 0.000 1.877 48 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 48 A C 2.389 179.996 177.584 0.039 0.000 1.186 48 A CA 2.073 54.099 52.037 -0.019 0.000 0.620 48 A CB -0.608 18.360 19.000 -0.053 0.000 0.822 48 A HN 0.473 nan 8.150 nan 0.000 0.443 49 R N -0.337 120.168 120.500 0.009 0.000 2.122 49 R HA -0.232 4.108 4.340 -0.000 0.000 0.236 49 R C 1.708 178.024 176.300 0.028 0.000 1.129 49 R CA 2.253 58.362 56.100 0.014 0.000 0.925 49 R CB -0.580 29.716 30.300 -0.007 0.000 0.850 49 R HN 0.463 nan 8.270 nan 0.000 0.431 50 D N -0.323 120.076 120.400 -0.003 0.000 2.116 50 D HA -0.210 4.430 4.640 -0.000 0.000 0.193 50 D C 1.620 177.945 176.300 0.041 0.000 0.998 50 D CA 1.307 55.300 54.000 -0.012 0.000 0.836 50 D CB -0.396 40.356 40.800 -0.080 0.000 0.951 50 D HN 0.209 nan 8.370 nan 0.000 0.449 51 F N 1.157 121.072 119.950 -0.059 0.000 2.075 51 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 51 F C 2.305 178.092 175.800 -0.022 0.000 1.113 51 F CA 1.127 59.105 58.000 -0.036 0.000 1.218 51 F CB -0.375 38.605 39.000 -0.032 0.000 0.984 51 F HN -0.194 nan 8.300 nan 0.000 0.472 52 V N -0.025 120.067 119.914 0.297 0.000 2.358 52 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 52 V C 2.324 178.457 176.094 0.065 0.000 1.047 52 V CA 2.066 64.478 62.300 0.187 0.000 1.035 52 V CB -0.717 31.183 31.823 0.129 0.000 0.658 52 V HN 0.248 nan 8.190 nan 0.000 0.452 53 E N 0.542 120.765 120.200 0.039 0.000 2.110 53 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 53 E C 2.326 178.911 176.600 -0.025 0.000 0.988 53 E CA 1.488 57.891 56.400 0.005 0.000 0.804 53 E CB -0.337 29.363 29.700 -0.000 0.000 0.745 53 E HN 0.492 nan 8.360 nan 0.000 0.458 54 R N -0.463 120.001 120.500 -0.060 0.000 2.081 54 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 54 R C 2.175 178.408 176.300 -0.112 0.000 1.131 54 R CA 1.506 57.542 56.100 -0.105 0.000 0.960 54 R CB -0.219 29.975 30.300 -0.177 0.000 0.856 54 R HN 0.114 nan 8.270 nan 0.000 0.436 55 V N 1.231 121.069 119.914 -0.127 0.000 2.295 55 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 55 V C 2.597 178.673 176.094 -0.030 0.000 1.049 55 V CA 2.171 64.420 62.300 -0.084 0.000 1.024 55 V CB -0.728 31.074 31.823 -0.035 0.000 0.648 55 V HN 0.421 nan 8.190 nan 0.000 0.447 56 R N 0.101 120.595 120.500 -0.010 0.000 2.080 56 R HA -0.219 4.121 4.340 -0.000 0.000 0.236 56 R C 2.360 178.655 176.300 -0.009 0.000 1.137 56 R CA 2.255 58.355 56.100 -0.001 0.000 0.943 56 R CB -0.299 30.005 30.300 0.006 0.000 0.846 56 R HN 0.614 nan 8.270 nan 0.000 0.431 57 E N -0.197 119.993 120.200 -0.016 0.000 2.031 57 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 57 E C 2.025 178.615 176.600 -0.018 0.000 0.994 57 E CA 1.184 57.574 56.400 -0.016 0.000 0.800 57 E CB -0.014 29.674 29.700 -0.021 0.000 0.752 57 E HN 0.388 nan 8.360 nan 0.000 0.447 58 E N 0.354 120.537 120.200 -0.027 0.000 2.106 58 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 58 E C 1.977 178.569 176.600 -0.013 0.000 0.984 58 E CA 0.849 57.235 56.400 -0.023 0.000 0.806 58 E CB -0.193 29.486 29.700 -0.036 0.000 0.750 58 E HN 0.212 nan 8.360 nan 0.000 0.458 59 A N 1.252 124.065 122.820 -0.012 0.000 1.898 59 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 59 A C 2.358 179.941 177.584 -0.001 0.000 1.181 59 A CA 0.934 52.970 52.037 -0.003 0.000 0.620 59 A CB -0.676 18.325 19.000 0.003 0.000 0.819 59 A HN 0.176 nan 8.150 nan 0.000 0.442 60 L N -0.688 120.533 121.223 -0.002 0.000 2.201 60 L HA -0.106 4.233 4.340 -0.000 0.000 0.212 60 L C 2.673 179.542 176.870 -0.002 0.000 1.105 60 L CA 0.882 55.721 54.840 -0.001 0.000 0.775 60 L CB -0.594 41.464 42.059 -0.001 0.000 0.913 60 L HN 0.510 nan 8.230 nan 0.000 0.440 61 G N -0.078 108.719 108.800 -0.004 0.000 2.484 61 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 61 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 61 G C 1.358 176.257 174.900 -0.002 0.000 1.130 61 G CA 0.139 45.237 45.100 -0.004 0.000 0.784 61 G HN 0.324 nan 8.290 nan 0.000 0.543 62 K N 0.188 120.587 120.400 -0.002 0.000 2.577 62 K HA 0.198 4.518 4.320 -0.000 0.000 0.210 62 K C 0.251 176.851 176.600 0.000 0.000 1.048 62 K CA -0.234 56.053 56.287 -0.000 0.000 1.188 62 K CB 0.441 32.942 32.500 0.000 0.000 0.910 62 K HN 0.030 nan 8.250 nan 0.000 0.483 63 Q N -0.215 119.585 119.800 0.000 0.000 2.435 63 Q HA -0.186 4.154 4.340 -0.000 0.000 0.312 63 Q C 0.830 176.831 176.000 0.002 0.000 1.333 63 Q CA 0.442 56.245 55.803 0.001 0.000 0.883 63 Q CB -2.250 26.488 28.738 0.001 0.000 1.170 63 Q HN 0.281 nan 8.270 nan 0.000 0.443 64 V N -0.544 119.372 119.914 0.003 0.000 2.594 64 V HA -0.213 3.907 4.120 -0.000 0.000 0.253 64 V C 1.423 177.520 176.094 0.005 0.000 1.069 64 V CA 2.224 64.526 62.300 0.005 0.000 1.082 64 V CB -0.053 31.773 31.823 0.006 0.000 0.680 64 V HN 0.680 nan 8.190 nan 0.000 0.469 65 L N -0.512 120.713 121.223 0.004 0.000 2.465 65 L HA 0.005 4.345 4.340 -0.000 0.000 0.224 65 L C 2.143 179.015 176.870 0.003 0.000 1.145 65 L CA 0.816 55.658 54.840 0.004 0.000 0.834 65 L CB -0.323 41.738 42.059 0.004 0.000 0.944 65 L HN 0.316 nan 8.230 nan 0.000 0.451 66 E N -0.889 119.313 120.200 0.003 0.000 2.460 66 E HA 0.063 4.413 4.350 -0.000 0.000 0.200 66 E C 0.829 177.430 176.600 0.002 0.000 1.011 66 E CA -0.059 56.342 56.400 0.002 0.000 0.912 66 E CB 0.450 30.150 29.700 0.001 0.000 0.953 66 E HN 0.080 nan 8.360 nan 0.000 0.494 67 S N 0.254 115.955 115.700 0.002 0.000 2.562 67 S HA 0.074 4.544 4.470 -0.000 0.000 0.281 67 S C 0.978 175.579 174.600 0.002 0.000 1.333 67 S CA -0.225 57.976 58.200 0.002 0.000 1.052 67 S CB 0.333 63.535 63.200 0.003 0.000 0.884 67 S HN 0.218 nan 8.310 nan 0.000 0.506 68 L N 3.429 124.653 121.223 0.001 0.000 2.509 68 L HA 0.129 4.469 4.340 -0.000 0.000 0.222 68 L C 1.128 177.999 176.870 0.002 0.000 1.123 68 L CA 0.450 55.291 54.840 0.002 0.000 0.856 68 L CB -0.327 41.733 42.059 0.001 0.000 0.985 68 L HN 0.796 nan 8.230 nan 0.000 0.456 69 T N -4.175 110.380 114.554 0.002 0.000 3.585 69 T HA 0.269 4.619 4.350 -0.000 0.000 0.252 69 T C -1.880 172.822 174.700 0.004 0.000 1.382 69 T CA -1.322 60.780 62.100 0.002 0.000 1.584 69 T CB 0.617 69.485 68.868 -0.000 0.000 0.892 69 T HN -0.116 nan 8.240 nan 0.000 0.671 70 P HA -0.030 nan 4.420 nan 0.000 0.220 70 P C 1.787 179.094 177.300 0.012 0.000 1.148 70 P CA 0.882 63.987 63.100 0.009 0.000 0.803 70 P CB -0.030 31.676 31.700 0.010 0.000 0.782 71 A N 0.957 123.785 122.820 0.012 0.000 1.948 71 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 71 A C 2.160 179.753 177.584 0.015 0.000 1.177 71 A CA 1.730 53.776 52.037 0.016 0.000 0.636 71 A CB -0.910 18.098 19.000 0.014 0.000 0.815 71 A HN 0.121 nan 8.150 nan 0.000 0.449 72 E N -0.257 119.948 120.200 0.008 0.000 2.152 72 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 72 E C 2.164 178.767 176.600 0.006 0.000 0.983 72 E CA 1.159 57.561 56.400 0.003 0.000 0.818 72 E CB -0.819 28.879 29.700 -0.005 0.000 0.758 72 E HN 0.428 nan 8.360 nan 0.000 0.467 73 V N 1.763 121.682 119.914 0.008 0.000 2.358 73 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 73 V C 2.297 178.402 176.094 0.019 0.000 1.047 73 V CA 1.088 63.394 62.300 0.010 0.000 1.035 73 V CB -0.356 31.471 31.823 0.008 0.000 0.658 73 V HN 0.172 nan 8.190 nan 0.000 0.452 74 I N -0.338 120.247 120.570 0.025 0.000 2.179 74 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 74 I C 2.422 178.571 176.117 0.053 0.000 1.088 74 I CA 1.458 62.780 61.300 0.037 0.000 1.357 74 I CB -1.294 36.729 38.000 0.039 0.000 1.051 74 I HN 0.306 nan 8.210 nan 0.000 0.409 75 L N 1.590 122.843 121.223 0.049 0.000 1.997 75 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 75 L C 2.599 179.518 176.870 0.082 0.000 1.074 75 L CA 2.529 57.407 54.840 0.063 0.000 0.763 75 L CB -0.993 41.086 42.059 0.035 0.000 0.890 75 L HN 0.237 nan 8.230 nan 0.000 0.434 76 A N -1.588 121.262 122.820 0.050 0.000 1.902 76 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 76 A C 2.342 179.992 177.584 0.110 0.000 1.181 76 A CA 2.543 54.616 52.037 0.060 0.000 0.623 76 A CB -1.317 17.693 19.000 0.016 0.000 0.818 76 A HN 0.662 nan 8.150 nan 0.000 0.443 77 T N -3.085 111.505 114.554 0.060 0.000 2.942 77 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 77 T C 1.682 176.372 174.700 -0.016 0.000 1.062 77 T CA 1.261 63.371 62.100 0.018 0.000 1.139 77 T CB -0.590 68.273 68.868 -0.007 0.000 0.883 77 T HN 0.051 nan 8.240 nan 0.000 0.468 78 V N 0.811 120.752 119.914 0.046 0.000 2.295 78 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 78 V C 2.261 178.420 176.094 0.107 0.000 1.049 78 V CA 1.866 64.215 62.300 0.082 0.000 1.024 78 V CB -1.029 30.905 31.823 0.185 0.000 0.648 78 V HN 0.588 nan 8.190 nan 0.000 0.447 79 Y N 1.048 121.366 120.300 0.030 0.000 2.114 79 Y HA -0.274 4.276 4.550 0.000 0.000 0.282 79 Y C 2.722 178.620 175.900 -0.002 0.000 1.165 79 Y CA 2.337 60.455 58.100 0.031 0.000 1.148 79 Y CB -0.188 38.282 38.460 0.018 0.000 0.972 79 Y HN 0.194 nan 8.280 nan 0.000 0.504 80 E N 0.484 120.701 120.200 0.027 0.000 2.110 80 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 80 E C 2.293 178.767 176.600 -0.209 0.000 0.988 80 E CA 1.101 57.441 56.400 -0.099 0.000 0.804 80 E CB -0.315 29.395 29.700 0.015 0.000 0.745 80 E HN 0.603 nan 8.360 nan 0.000 0.458 81 A N 0.839 123.481 122.820 -0.296 0.000 1.930 81 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 81 A C 2.394 179.778 177.584 -0.333 0.000 1.175 81 A CA 0.901 52.609 52.037 -0.549 0.000 0.627 81 A CB -0.596 17.629 19.000 -1.291 0.000 0.815 81 A HN 0.244 nan 8.150 nan 0.000 0.443 82 L N -0.528 120.651 121.223 -0.073 0.000 2.046 82 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 82 L C 2.627 179.502 176.870 0.010 0.000 1.077 82 L CA 2.043 56.983 54.840 0.168 0.000 0.747 82 L CB -0.393 41.755 42.059 0.148 0.000 0.896 82 L HN 0.490 nan 8.230 nan 0.000 0.432 83 K N 0.279 120.574 120.400 -0.176 0.000 2.026 83 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 83 K C 2.101 178.661 176.600 -0.067 0.000 1.048 83 K CA 1.807 57.981 56.287 -0.189 0.000 0.929 83 K CB -0.011 32.269 32.500 -0.367 0.000 0.713 83 K HN 0.074 nan 8.250 nan 0.000 0.439 84 E N 0.589 120.742 120.200 -0.078 0.000 2.058 84 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 84 E C 1.683 178.294 176.600 0.020 0.000 0.997 84 E CA 1.773 58.152 56.400 -0.034 0.000 0.801 84 E CB -0.385 29.275 29.700 -0.066 0.000 0.746 84 E HN 0.412 nan 8.360 nan 0.000 0.450 85 A N 0.203 123.053 122.820 0.049 0.000 1.972 85 A HA -0.109 4.210 4.320 -0.000 0.000 0.219 85 A C 2.194 179.850 177.584 0.119 0.000 1.169 85 A CA 1.417 53.519 52.037 0.109 0.000 0.635 85 A CB -0.593 18.533 19.000 0.211 0.000 0.810 85 A HN 0.354 nan 8.150 nan 0.000 0.446 86 L N -1.984 119.324 121.223 0.142 0.000 2.492 86 L HA 0.218 4.558 4.340 -0.000 0.000 0.223 86 L C 1.615 178.613 176.870 0.213 0.000 1.132 86 L CA 0.650 55.621 54.840 0.220 0.000 0.850 86 L CB 0.042 42.299 42.059 0.331 0.000 0.966 86 L HN 0.573 nan 8.230 nan 0.000 0.454 87 G N -1.937 106.936 108.800 0.122 0.000 2.234 87 G HA2 0.043 4.003 3.960 -0.000 0.000 0.153 87 G HA3 0.043 4.003 3.960 -0.000 0.000 0.153 87 G C 0.732 175.664 174.900 0.054 0.000 1.013 87 G CA -0.335 44.814 45.100 0.082 0.000 0.712 87 G HN 0.464 nan 8.290 nan 0.000 0.491 88 G N 0.335 109.158 108.800 0.039 0.000 5.347 88 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.299 88 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.299 88 G C 0.242 175.152 174.900 0.017 0.000 1.492 88 G CA 1.254 46.363 45.100 0.014 0.000 0.991 88 G HN 1.889 nan 8.290 nan 0.000 0.749 89 E N 0.695 120.909 120.200 0.022 0.000 2.277 89 E HA 0.757 5.107 4.350 -0.000 0.000 0.266 89 E C 0.098 176.693 176.600 -0.007 0.000 0.901 89 E CA -0.584 55.828 56.400 0.020 0.000 0.782 89 E CB 1.933 31.646 29.700 0.023 0.000 1.228 89 E HN 1.307 nan 8.360 nan 0.000 0.424 90 A N 1.841 124.618 122.820 -0.071 0.000 2.531 90 A HA 0.162 4.482 4.320 -0.000 0.000 0.236 90 A C 0.161 177.674 177.584 -0.119 0.000 1.062 90 A CA 0.146 52.048 52.037 -0.225 0.000 0.760 90 A CB -0.027 18.587 19.000 -0.643 0.000 0.995 90 A HN 0.670 nan 8.150 nan 0.000 0.501 91 R N 2.670 123.123 120.500 -0.078 0.000 2.629 91 R HA 0.459 4.799 4.340 -0.000 0.000 0.275 91 R C -1.415 174.880 176.300 -0.008 0.000 1.719 91 R CA -0.217 55.874 56.100 -0.014 0.000 1.472 91 R CB -0.020 30.308 30.300 0.047 0.000 1.237 91 R HN 0.706 nan 8.270 nan 0.000 0.589 92 L N 3.189 124.326 121.223 -0.144 0.000 2.418 92 L HA 0.538 4.878 4.340 -0.000 0.000 0.265 92 L C -1.623 175.037 176.870 -0.349 0.000 1.143 92 L CA -2.288 52.377 54.840 -0.293 0.000 0.809 92 L CB 0.571 42.502 42.059 -0.214 0.000 1.124 92 L HN 0.372 nan 8.230 nan 0.000 0.456 93 P HA -0.027 nan 4.420 nan 0.000 0.265 93 P C -0.709 176.567 177.300 -0.039 0.000 1.193 93 P CA -0.005 62.842 63.100 -0.423 0.000 0.765 93 P CB 0.680 32.160 31.700 -0.367 0.000 0.823 94 V N 5.472 125.384 119.914 -0.003 0.000 2.347 94 V HA 0.276 4.396 4.120 -0.000 0.000 0.280 94 V C -0.518 175.637 176.094 0.101 0.000 1.021 94 V CA -0.720 61.616 62.300 0.060 0.000 0.847 94 V CB 0.292 32.135 31.823 0.034 0.000 0.990 94 V HN 0.229 nan 8.190 nan 0.000 0.444 95 L N 8.077 129.368 121.223 0.114 0.000 2.375 95 L HA 0.549 4.889 4.340 -0.000 0.000 0.271 95 L C 0.631 177.528 176.870 0.045 0.000 1.107 95 L CA 0.372 55.262 54.840 0.082 0.000 0.806 95 L CB 1.159 43.211 42.059 -0.013 0.000 1.146 95 L HN 0.793 nan 8.230 nan 0.000 0.447 96 K N 0.112 120.531 120.400 0.032 0.000 2.209 96 K HA 0.459 4.779 4.320 -0.000 0.000 0.252 96 K C -0.230 176.368 176.600 -0.003 0.000 1.062 96 K CA -0.721 55.578 56.287 0.019 0.000 1.003 96 K CB 0.232 32.749 32.500 0.028 0.000 1.495 96 K HN 0.219 nan 8.250 nan 0.000 0.641 97 D N 0.044 120.442 120.400 -0.003 0.000 2.117 97 D HA -0.011 4.629 4.640 -0.000 0.000 0.198 97 D C 0.048 176.332 176.300 -0.027 0.000 0.982 97 D CA 1.251 55.243 54.000 -0.014 0.000 0.828 97 D CB 0.216 41.011 40.800 -0.007 0.000 0.967 97 D HN 0.203 nan 8.370 nan 0.000 0.464 98 R N 1.002 121.491 120.500 -0.018 0.000 2.670 98 R HA 0.481 4.821 4.340 -0.000 0.000 0.289 98 R C -0.591 175.700 176.300 -0.015 0.000 0.965 98 R CA -0.552 55.533 56.100 -0.026 0.000 0.899 98 R CB 1.506 31.800 30.300 -0.010 0.000 1.173 98 R HN -0.025 nan 8.270 nan 0.000 0.456 99 N N 2.376 121.048 118.700 -0.046 0.000 2.425 99 N HA 0.325 5.065 4.740 -0.000 0.000 0.289 99 N C -1.294 174.191 175.510 -0.042 0.000 1.074 99 N CA -0.563 52.466 53.050 -0.034 0.000 0.905 99 N CB 2.948 41.321 38.487 -0.190 0.000 1.586 99 N HN 0.357 nan 8.380 nan 0.000 0.490 100 L N 2.130 123.429 121.223 0.125 0.000 2.343 100 L HA 0.613 4.953 4.340 -0.000 0.000 0.278 100 L C -1.576 175.563 176.870 0.449 0.000 0.996 100 L CA -0.570 54.380 54.840 0.184 0.000 0.831 100 L CB 1.055 43.205 42.059 0.153 0.000 1.232 100 L HN 0.428 nan 8.230 nan 0.000 0.413 101 W N 4.227 125.595 121.300 0.113 0.000 2.666 101 W HA 0.469 5.129 4.660 -0.000 0.000 0.334 101 W C -0.672 176.042 176.519 0.324 0.000 1.051 101 W CA -1.222 56.216 57.345 0.155 0.000 1.224 101 W CB 1.221 30.747 29.460 0.110 0.000 1.405 101 W HN 0.242 nan 8.180 nan 0.000 0.513 102 F N 3.403 123.483 119.950 0.216 0.000 2.421 102 F HA 0.449 4.976 4.527 -0.000 0.000 0.337 102 F C 0.338 176.202 175.800 0.106 0.000 1.105 102 F CA -1.054 57.022 58.000 0.126 0.000 1.049 102 F CB 1.149 40.194 39.000 0.075 0.000 1.139 102 F HN -0.287 nan 8.300 nan 0.000 0.479 103 L N 5.577 126.925 121.223 0.207 0.000 2.272 103 L HA 0.547 4.887 4.340 -0.000 0.000 0.289 103 L C -0.340 176.540 176.870 0.016 0.000 1.032 103 L CA -0.815 54.085 54.840 0.101 0.000 0.810 103 L CB 1.116 43.220 42.059 0.075 0.000 1.205 103 L HN 0.348 nan 8.230 nan 0.000 0.422 104 V N -0.008 119.873 119.914 -0.055 0.000 3.001 104 V HA 1.113 5.233 4.120 -0.000 0.000 0.314 104 V C 0.033 175.848 176.094 -0.464 0.000 1.099 104 V CA -0.078 62.100 62.300 -0.204 0.000 0.989 104 V CB 1.757 33.473 31.823 -0.178 0.000 1.040 104 V HN 0.981 nan 8.190 nan 0.000 0.434 105 G N 1.185 109.574 108.800 -0.686 0.000 2.357 105 G HA2 0.211 4.171 3.960 -0.000 0.000 0.289 105 G HA3 0.211 4.171 3.960 -0.000 0.000 0.289 105 G C -1.490 173.364 174.900 -0.076 0.000 1.302 105 G CA -0.668 44.063 45.100 -0.615 0.000 0.936 105 G HN 1.000 nan 8.290 nan 0.000 0.513 106 L N 0.808 122.047 121.223 0.026 0.000 2.418 106 L HA 0.434 4.774 4.340 -0.000 0.000 0.265 106 L C 1.264 178.160 176.870 0.043 0.000 1.143 106 L CA -0.591 54.310 54.840 0.101 0.000 0.809 106 L CB 1.360 43.478 42.059 0.098 0.000 1.124 106 L HN 0.786 nan 8.230 nan 0.000 0.456 107 Q N 0.794 120.623 119.800 0.048 0.000 2.349 107 Q HA 0.080 4.420 4.340 -0.000 0.000 0.287 107 Q C 0.989 177.000 176.000 0.019 0.000 1.044 107 Q CA 1.018 56.837 55.803 0.027 0.000 0.918 107 Q CB 0.497 29.252 28.738 0.027 0.000 1.242 107 Q HN 0.871 nan 8.270 nan 0.000 0.405 108 G N 1.874 110.681 108.800 0.012 0.000 2.184 108 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 108 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 108 G C 0.750 175.653 174.900 0.006 0.000 0.975 108 G CA 0.841 45.947 45.100 0.009 0.000 0.642 108 G HN 0.881 nan 8.290 nan 0.000 0.536 109 S N -0.599 115.101 115.700 -0.000 0.000 2.428 109 S HA 0.371 4.841 4.470 -0.000 0.000 0.230 109 S C 2.150 176.746 174.600 -0.007 0.000 1.014 109 S CA 1.563 59.758 58.200 -0.009 0.000 0.957 109 S CB 0.070 63.251 63.200 -0.032 0.000 0.784 109 S HN 2.400 nan 8.310 nan 0.000 0.499 110 G N 0.903 109.701 108.800 -0.004 0.000 2.145 110 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.145 110 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.145 110 G C 0.582 175.481 174.900 -0.002 0.000 1.017 110 G CA 0.155 45.255 45.100 0.001 0.000 0.682 110 G HN 0.443 nan 8.290 nan 0.000 0.504 111 K N -0.289 120.107 120.400 -0.008 0.000 2.001 111 K HA -0.033 4.287 4.320 -0.000 0.000 0.208 111 K C 2.556 179.157 176.600 0.001 0.000 1.048 111 K CA 1.823 58.105 56.287 -0.008 0.000 0.932 111 K CB -0.255 32.233 32.500 -0.020 0.000 0.715 111 K HN 0.293 nan 8.250 nan 0.000 0.437 112 T N 0.802 115.355 114.554 -0.001 0.000 2.777 112 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 112 T C 1.952 176.654 174.700 0.003 0.000 1.040 112 T CA 1.701 63.801 62.100 0.000 0.000 1.141 112 T CB -0.333 68.534 68.868 -0.001 0.000 0.868 112 T HN 0.260 nan 8.240 nan 0.000 0.444 113 T N 1.866 116.422 114.554 0.003 0.000 2.708 113 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 113 T C 2.287 176.987 174.700 -0.000 0.000 1.037 113 T CA 1.659 63.761 62.100 0.003 0.000 1.146 113 T CB -0.706 68.165 68.868 0.005 0.000 0.865 113 T HN 0.390 nan 8.240 nan 0.000 0.435 114 T N 1.922 116.477 114.554 0.001 0.000 2.788 114 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 114 T C 2.379 177.080 174.700 0.001 0.000 1.044 114 T CA 1.072 63.168 62.100 -0.005 0.000 1.139 114 T CB -0.517 68.356 68.868 0.009 0.000 0.867 114 T HN 0.432 nan 8.240 nan 0.000 0.454 115 A N 1.538 124.369 122.820 0.019 0.000 1.877 115 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 115 A C 2.640 180.235 177.584 0.019 0.000 1.186 115 A CA 1.902 53.959 52.037 0.033 0.000 0.620 115 A CB -1.124 17.892 19.000 0.027 0.000 0.822 115 A HN 0.513 nan 8.150 nan 0.000 0.443 116 A N -0.606 122.219 122.820 0.009 0.000 1.929 116 A HA -0.085 4.234 4.320 -0.000 0.000 0.216 116 A C 2.092 179.679 177.584 0.006 0.000 1.176 116 A CA 1.707 53.748 52.037 0.007 0.000 0.628 116 A CB -0.359 18.644 19.000 0.004 0.000 0.816 116 A HN 0.540 nan 8.150 nan 0.000 0.444 117 K N -0.350 120.046 120.400 -0.007 0.000 2.057 117 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 117 K C 1.772 178.356 176.600 -0.026 0.000 1.049 117 K CA 1.356 57.630 56.287 -0.022 0.000 0.931 117 K CB -0.341 32.128 32.500 -0.052 0.000 0.714 117 K HN 0.448 nan 8.250 nan 0.000 0.440 118 L N 0.285 121.485 121.223 -0.038 0.000 2.093 118 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 118 L C 2.503 179.452 176.870 0.130 0.000 1.085 118 L CA 0.960 55.808 54.840 0.013 0.000 0.755 118 L CB -0.476 41.619 42.059 0.059 0.000 0.904 118 L HN 0.211 nan 8.230 nan 0.000 0.435 119 A N -0.038 122.821 122.820 0.066 0.000 1.898 119 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 119 A C 2.203 179.821 177.584 0.057 0.000 1.181 119 A CA 1.597 53.665 52.037 0.052 0.000 0.620 119 A CB -0.609 18.401 19.000 0.017 0.000 0.819 119 A HN 0.318 nan 8.150 nan 0.000 0.442 120 L N -1.776 119.474 121.223 0.045 0.000 2.056 120 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 120 L C 2.302 179.193 176.870 0.036 0.000 1.078 120 L CA 2.241 57.100 54.840 0.032 0.000 0.749 120 L CB -0.831 41.244 42.059 0.026 0.000 0.901 120 L HN 0.508 nan 8.230 nan 0.000 0.433 121 Y N -0.841 119.395 120.300 -0.108 0.000 2.097 121 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 121 Y C 2.189 177.950 175.900 -0.232 0.000 1.152 121 Y CA 2.184 60.160 58.100 -0.207 0.000 1.136 121 Y CB -0.604 37.644 38.460 -0.353 0.000 0.975 121 Y HN 0.277 nan 8.280 nan 0.000 0.498 122 Y N 0.293 120.574 120.300 -0.032 0.000 2.457 122 Y HA -0.051 4.499 4.550 -0.000 0.000 0.292 122 Y C 2.514 178.335 175.900 -0.131 0.000 1.125 122 Y CA 1.320 59.339 58.100 -0.136 0.000 1.254 122 Y CB -0.438 37.964 38.460 -0.097 0.000 1.012 122 Y HN 0.089 nan 8.280 nan 0.000 0.555 123 K N 0.030 120.447 120.400 0.028 0.000 2.063 123 K HA -0.135 4.184 4.320 -0.000 0.000 0.208 123 K C 2.237 178.812 176.600 -0.042 0.000 1.048 123 K CA 1.439 57.722 56.287 -0.007 0.000 0.928 123 K CB -0.543 31.953 32.500 -0.006 0.000 0.713 123 K HN 0.387 nan 8.250 nan 0.000 0.442 124 G N 0.401 109.150 108.800 -0.085 0.000 2.572 124 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 124 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 124 G C 0.898 175.716 174.900 -0.137 0.000 1.133 124 G CA 0.156 45.193 45.100 -0.104 0.000 0.791 124 G HN 0.255 nan 8.290 nan 0.000 0.538 125 K N 0.023 120.317 120.400 -0.177 0.000 2.437 125 K HA 0.298 4.618 4.320 -0.000 0.000 0.198 125 K C 1.369 177.945 176.600 -0.041 0.000 1.024 125 K CA 0.332 56.537 56.287 -0.137 0.000 1.148 125 K CB 0.458 32.836 32.500 -0.204 0.000 0.860 125 K HN 0.259 nan 8.250 nan 0.000 0.515 126 G N 1.586 110.367 108.800 -0.031 0.000 2.159 126 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.227 126 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.227 126 G C -0.066 174.828 174.900 -0.010 0.000 0.986 126 G CA -0.436 44.654 45.100 -0.016 0.000 0.651 126 G HN 0.087 nan 8.290 nan 0.000 0.523 127 R N -0.137 120.363 120.500 -0.000 0.000 2.549 127 R HA 0.606 4.946 4.340 -0.000 0.000 0.267 127 R C 0.262 176.546 176.300 -0.027 0.000 1.045 127 R CA -0.837 55.250 56.100 -0.021 0.000 1.115 127 R CB 0.838 31.118 30.300 -0.032 0.000 1.121 127 R HN 0.288 nan 8.270 nan 0.000 0.543 128 R N 2.201 122.675 120.500 -0.044 0.000 2.287 128 R HA 0.339 4.679 4.340 -0.000 0.000 0.316 128 R C -2.411 173.854 176.300 -0.057 0.000 1.050 128 R CA -1.640 54.436 56.100 -0.040 0.000 0.983 128 R CB 0.989 31.269 30.300 -0.034 0.000 1.140 128 R HN 0.290 nan 8.270 nan 0.000 0.528 129 P HA 0.173 nan 4.420 nan 0.000 0.279 129 P C -1.453 175.818 177.300 -0.048 0.000 1.252 129 P CA -0.669 62.390 63.100 -0.069 0.000 0.811 129 P CB 0.940 32.609 31.700 -0.052 0.000 1.035 130 L N 2.185 123.377 121.223 -0.052 0.000 2.381 130 L HA 0.453 4.792 4.340 -0.000 0.000 0.274 130 L C -1.445 175.409 176.870 -0.026 0.000 0.988 130 L CA -0.503 54.318 54.840 -0.032 0.000 0.824 130 L CB 0.953 42.996 42.059 -0.026 0.000 1.263 130 L HN 0.177 nan 8.230 nan 0.000 0.410 131 L N 5.309 126.522 121.223 -0.016 0.000 2.357 131 L HA 0.697 5.037 4.340 -0.000 0.000 0.273 131 L C -0.680 176.184 176.870 -0.009 0.000 1.080 131 L CA -0.791 54.044 54.840 -0.010 0.000 0.803 131 L CB 1.742 43.797 42.059 -0.006 0.000 1.174 131 L HN 0.358 nan 8.230 nan 0.000 0.443 132 V N 1.873 121.781 119.914 -0.010 0.000 2.531 132 V HA 0.553 4.673 4.120 -0.000 0.000 0.301 132 V C -0.031 176.045 176.094 -0.030 0.000 1.034 132 V CA -0.708 61.581 62.300 -0.018 0.000 0.865 132 V CB 1.694 33.506 31.823 -0.018 0.000 0.995 132 V HN 0.819 nan 8.190 nan 0.000 0.424 133 A N 3.447 126.250 122.820 -0.027 0.000 2.366 133 A HA 0.738 5.058 4.320 -0.000 0.000 0.322 133 A C 0.853 178.412 177.584 -0.041 0.000 1.397 133 A CA 0.207 52.225 52.037 -0.032 0.000 0.984 133 A CB 0.755 19.743 19.000 -0.020 0.000 1.149 133 A HN 1.300 nan 8.150 nan 0.000 0.540 134 A N 2.143 124.925 122.820 -0.065 0.000 2.348 134 A HA 0.222 4.542 4.320 -0.000 0.000 0.224 134 A C 0.601 178.149 177.584 -0.060 0.000 1.227 134 A CA -0.007 51.984 52.037 -0.077 0.000 0.885 134 A CB -0.039 18.873 19.000 -0.146 0.000 0.933 134 A HN 0.669 nan 8.150 nan 0.000 0.506 135 D N 1.646 122.020 120.400 -0.043 0.000 2.346 135 D HA 0.045 4.685 4.640 -0.000 0.000 0.267 135 D C 1.387 177.677 176.300 -0.017 0.000 1.320 135 D CA 0.978 54.962 54.000 -0.026 0.000 0.951 135 D CB 0.795 41.585 40.800 -0.017 0.000 1.079 135 D HN 0.336 nan 8.370 nan 0.000 0.509 136 T N 0.556 115.102 114.554 -0.014 0.000 3.160 136 T HA -0.053 4.297 4.350 -0.000 0.000 0.257 136 T C 1.236 175.933 174.700 -0.004 0.000 1.147 136 T CA 0.708 62.803 62.100 -0.008 0.000 1.064 136 T CB 0.109 68.974 68.868 -0.005 0.000 0.949 136 T HN 0.410 nan 8.240 nan 0.000 0.526 137 Q N 0.099 119.897 119.800 -0.003 0.000 2.378 137 Q HA 0.250 4.590 4.340 -0.000 0.000 0.229 137 Q C 0.357 176.356 176.000 -0.001 0.000 0.882 137 Q CA 0.069 55.871 55.803 -0.001 0.000 0.936 137 Q CB 0.800 29.538 28.738 0.001 0.000 1.092 137 Q HN 0.359 nan 8.270 nan 0.000 0.535 138 R N 1.270 121.769 120.500 -0.002 0.000 2.337 138 R HA 0.244 4.584 4.340 -0.000 0.000 0.319 138 R C -2.311 173.987 176.300 -0.003 0.000 0.954 138 R CA -1.685 54.414 56.100 -0.001 0.000 0.840 138 R CB 1.307 31.607 30.300 -0.000 0.000 1.164 138 R HN -0.069 nan 8.270 nan 0.000 0.472 139 P HA -0.101 nan 4.420 nan 0.000 0.218 139 P C 1.025 178.323 177.300 -0.003 0.000 1.149 139 P CA 1.008 64.106 63.100 -0.002 0.000 0.817 139 P CB 0.390 32.089 31.700 -0.002 0.000 0.785 140 A N -0.144 122.676 122.820 -0.001 0.000 1.975 140 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 140 A C 2.268 179.851 177.584 -0.001 0.000 1.170 140 A CA 1.230 53.266 52.037 -0.001 0.000 0.656 140 A CB -1.396 17.604 19.000 0.000 0.000 0.821 140 A HN 0.146 nan 8.150 nan 0.000 0.449 141 A N 0.501 123.319 122.820 -0.002 0.000 1.917 141 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 141 A C 2.244 179.825 177.584 -0.006 0.000 1.182 141 A CA 1.676 53.711 52.037 -0.003 0.000 0.633 141 A CB -0.467 18.531 19.000 -0.004 0.000 0.819 141 A HN 0.558 nan 8.150 nan 0.000 0.448 142 R N -0.607 119.888 120.500 -0.007 0.000 2.090 142 R HA -0.076 4.264 4.340 -0.000 0.000 0.228 142 R C 2.045 178.342 176.300 -0.007 0.000 1.110 142 R CA 1.411 57.506 56.100 -0.009 0.000 0.973 142 R CB -0.290 30.004 30.300 -0.009 0.000 0.869 142 R HN 0.681 nan 8.270 nan 0.000 0.440 143 E N 0.673 120.871 120.200 -0.004 0.000 2.106 143 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 143 E C 1.982 178.580 176.600 -0.002 0.000 0.984 143 E CA 0.945 57.343 56.400 -0.003 0.000 0.806 143 E CB 0.022 29.721 29.700 -0.002 0.000 0.750 143 E HN 0.145 nan 8.360 nan 0.000 0.458 144 Q N 1.258 121.057 119.800 -0.002 0.000 2.112 144 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 144 Q C 1.991 177.990 176.000 -0.002 0.000 0.987 144 Q CA 1.399 57.201 55.803 -0.001 0.000 0.858 144 Q CB -0.291 28.447 28.738 -0.001 0.000 0.905 144 Q HN 0.324 nan 8.270 nan 0.000 0.420 145 L N 0.187 121.407 121.223 -0.004 0.000 2.240 145 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 145 L C 2.400 179.267 176.870 -0.004 0.000 1.106 145 L CA 1.665 56.503 54.840 -0.004 0.000 0.793 145 L CB -0.577 41.478 42.059 -0.007 0.000 0.927 145 L HN 0.312 nan 8.230 nan 0.000 0.446 146 R N -0.676 119.822 120.500 -0.004 0.000 2.105 146 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 146 R C 2.100 178.398 176.300 -0.002 0.000 1.135 146 R CA 1.904 58.002 56.100 -0.004 0.000 0.967 146 R CB -0.301 29.997 30.300 -0.003 0.000 0.861 146 R HN 0.455 nan 8.270 nan 0.000 0.442 147 L N 0.259 121.481 121.223 -0.001 0.000 2.049 147 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 147 L C 2.430 179.300 176.870 0.000 0.000 1.074 147 L CA 0.899 55.739 54.840 -0.000 0.000 0.749 147 L CB -0.326 41.733 42.059 0.000 0.000 0.907 147 L HN 0.260 nan 8.230 nan 0.000 0.439 148 L N -0.445 120.779 121.223 0.000 0.000 2.127 148 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 148 L C 2.604 179.474 176.870 0.001 0.000 1.089 148 L CA 1.330 56.171 54.840 0.001 0.000 0.757 148 L CB -1.169 40.891 42.059 0.002 0.000 0.899 148 L HN 0.354 nan 8.230 nan 0.000 0.434 149 G N -0.310 108.490 108.800 -0.000 0.000 2.418 149 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 149 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 149 G C 1.425 176.324 174.900 -0.001 0.000 1.158 149 G CA 0.577 45.676 45.100 -0.001 0.000 0.771 149 G HN 0.359 nan 8.290 nan 0.000 0.545 150 E N 0.090 120.290 120.200 -0.001 0.000 2.110 150 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 150 E C 2.520 179.120 176.600 -0.000 0.000 0.988 150 E CA 0.787 57.186 56.400 -0.001 0.000 0.804 150 E CB 0.069 29.768 29.700 -0.001 0.000 0.745 150 E HN 0.059 nan 8.360 nan 0.000 0.458 151 K N 0.043 120.443 120.400 0.001 0.000 2.152 151 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 151 K C 1.913 178.514 176.600 0.002 0.000 1.048 151 K CA 1.240 57.528 56.287 0.002 0.000 0.933 151 K CB -0.226 32.275 32.500 0.003 0.000 0.721 151 K HN 0.270 nan 8.250 nan 0.000 0.447 152 V N -4.194 115.721 119.914 0.002 0.000 3.528 152 V HA 0.420 4.539 4.120 -0.000 0.000 0.294 152 V C 0.843 176.937 176.094 0.000 0.000 1.404 152 V CA 0.366 62.667 62.300 0.002 0.000 1.065 152 V CB -0.006 31.820 31.823 0.005 0.000 0.904 152 V HN 0.257 nan 8.190 nan 0.000 0.435 153 G N 0.369 109.168 108.800 -0.001 0.000 2.182 153 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.248 153 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.248 153 G C -0.168 174.729 174.900 -0.005 0.000 1.042 153 G CA 0.216 45.314 45.100 -0.003 0.000 0.775 153 G HN 1.048 nan 8.290 nan 0.000 0.501 154 V N 1.632 121.544 119.914 -0.004 0.000 2.577 154 V HA 0.554 4.674 4.120 -0.000 0.000 0.303 154 V C -1.712 174.378 176.094 -0.007 0.000 1.042 154 V CA -1.616 60.679 62.300 -0.007 0.000 0.872 154 V CB 2.392 34.212 31.823 -0.006 0.000 0.998 154 V HN 0.211 nan 8.190 nan 0.000 0.423 155 P HA 0.183 nan 4.420 nan 0.000 0.269 155 P C -0.877 176.418 177.300 -0.008 0.000 1.209 155 P CA 0.050 63.145 63.100 -0.008 0.000 0.776 155 P CB 1.115 32.810 31.700 -0.009 0.000 0.876 156 V N 4.118 124.028 119.914 -0.007 0.000 2.378 156 V HA 0.258 4.378 4.120 -0.000 0.000 0.288 156 V C 0.411 176.501 176.094 -0.007 0.000 1.016 156 V CA -0.799 61.496 62.300 -0.008 0.000 0.840 156 V CB 1.417 33.236 31.823 -0.007 0.000 0.994 156 V HN 0.458 nan 8.190 nan 0.000 0.431 157 L N 4.835 126.053 121.223 -0.008 0.000 2.281 157 L HA 0.492 4.832 4.340 -0.000 0.000 0.285 157 L C 0.145 177.009 176.870 -0.009 0.000 1.074 157 L CA 0.138 54.974 54.840 -0.007 0.000 0.817 157 L CB 0.737 42.793 42.059 -0.005 0.000 1.168 157 L HN 0.676 nan 8.230 nan 0.000 0.434 158 E N 4.449 124.644 120.200 -0.008 0.000 2.151 158 E HA 0.308 4.658 4.350 -0.000 0.000 0.275 158 E C -0.552 176.043 176.600 -0.009 0.000 0.936 158 E CA -0.772 55.622 56.400 -0.010 0.000 0.777 158 E CB 1.983 31.678 29.700 -0.008 0.000 1.108 158 E HN 0.559 nan 8.360 nan 0.000 0.401 159 V N 0.955 120.862 119.914 -0.012 0.000 3.051 159 V HA 0.312 4.432 4.120 -0.000 0.000 0.306 159 V C 0.276 176.366 176.094 -0.007 0.000 1.083 159 V CA -0.625 61.669 62.300 -0.010 0.000 1.104 159 V CB 0.592 32.406 31.823 -0.015 0.000 1.027 159 V HN 0.639 nan 8.190 nan 0.000 0.483 160 M N 1.731 121.328 119.600 -0.004 0.000 2.267 160 M HA 0.351 4.831 4.480 -0.000 0.000 0.303 160 M C -0.031 176.268 176.300 -0.002 0.000 1.164 160 M CA -0.467 54.831 55.300 -0.002 0.000 1.060 160 M CB 0.638 33.237 32.600 -0.000 0.000 1.455 160 M HN 0.877 nan 8.290 nan 0.000 0.483 161 D N 0.439 120.838 120.400 -0.002 0.000 2.417 161 D HA 0.229 4.869 4.640 -0.000 0.000 0.250 161 D C 1.024 177.324 176.300 0.000 0.000 1.166 161 D CA 1.574 55.574 54.000 -0.001 0.000 0.881 161 D CB 0.442 41.242 40.800 -0.001 0.000 1.164 161 D HN 0.755 nan 8.370 nan 0.000 0.467 162 G N 3.203 112.004 108.800 0.000 0.000 2.166 162 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.260 162 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.260 162 G C 0.403 175.305 174.900 0.003 0.000 0.986 162 G CA 0.563 45.664 45.100 0.002 0.000 0.683 162 G HN 0.679 nan 8.290 nan 0.000 0.527 163 E N 1.046 121.247 120.200 0.002 0.000 2.413 163 E HA 0.415 4.764 4.350 -0.000 0.000 0.263 163 E C 1.210 177.815 176.600 0.008 0.000 1.015 163 E CA 0.282 56.685 56.400 0.005 0.000 0.916 163 E CB 0.299 30.001 29.700 0.003 0.000 0.947 163 E HN 0.570 nan 8.360 nan 0.000 0.440 164 S N 4.076 119.783 115.700 0.011 0.000 2.592 164 S HA 0.190 4.660 4.470 -0.000 0.000 0.271 164 S C -1.647 172.966 174.600 0.022 0.000 1.326 164 S CA -1.182 57.028 58.200 0.016 0.000 1.024 164 S CB 1.323 64.532 63.200 0.016 0.000 0.921 164 S HN 0.455 nan 8.310 nan 0.000 0.527 165 P HA -0.150 nan 4.420 nan 0.000 0.216 165 P C 1.130 178.456 177.300 0.043 0.000 1.150 165 P CA 1.253 64.380 63.100 0.045 0.000 0.843 165 P CB 0.059 31.794 31.700 0.059 0.000 0.787 166 E N -0.190 120.030 120.200 0.034 0.000 2.106 166 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 166 E C 2.229 178.845 176.600 0.026 0.000 0.984 166 E CA 1.054 57.473 56.400 0.031 0.000 0.806 166 E CB -0.689 29.025 29.700 0.024 0.000 0.750 166 E HN 0.241 nan 8.360 nan 0.000 0.458 167 S N 0.639 116.352 115.700 0.021 0.000 2.383 167 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 167 S C 2.127 176.738 174.600 0.018 0.000 1.026 167 S CA 0.481 58.692 58.200 0.017 0.000 0.981 167 S CB -0.161 63.047 63.200 0.013 0.000 0.818 167 S HN 0.142 nan 8.310 nan 0.000 0.472 168 I N 1.404 121.986 120.570 0.021 0.000 2.163 168 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 168 I C 2.863 178.999 176.117 0.031 0.000 1.085 168 I CA 1.682 62.995 61.300 0.021 0.000 1.347 168 I CB -0.438 37.574 38.000 0.020 0.000 1.044 168 I HN 0.336 nan 8.210 nan 0.000 0.408 169 R N 1.084 121.609 120.500 0.042 0.000 2.083 169 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 169 R C 2.498 178.819 176.300 0.034 0.000 1.137 169 R CA 1.637 57.766 56.100 0.048 0.000 0.951 169 R CB -0.162 30.169 30.300 0.052 0.000 0.851 169 R HN 0.271 nan 8.270 nan 0.000 0.434 170 R N -0.204 120.312 120.500 0.026 0.000 2.073 170 R HA -0.080 4.259 4.340 -0.000 0.000 0.234 170 R C 2.528 178.838 176.300 0.016 0.000 1.134 170 R CA 1.813 57.924 56.100 0.020 0.000 0.952 170 R CB -0.151 30.159 30.300 0.016 0.000 0.850 170 R HN 0.276 nan 8.270 nan 0.000 0.433 171 R N -0.138 120.371 120.500 0.015 0.000 2.090 171 R HA -0.051 4.289 4.340 -0.000 0.000 0.228 171 R C 2.289 178.596 176.300 0.011 0.000 1.110 171 R CA 1.086 57.193 56.100 0.011 0.000 0.973 171 R CB -0.287 30.019 30.300 0.008 0.000 0.869 171 R HN 0.091 nan 8.270 nan 0.000 0.440 172 V N 1.525 121.449 119.914 0.017 0.000 2.307 172 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 172 V C 2.018 178.122 176.094 0.017 0.000 1.045 172 V CA 1.806 64.117 62.300 0.018 0.000 1.024 172 V CB -0.371 31.470 31.823 0.030 0.000 0.651 172 V HN 0.344 nan 8.190 nan 0.000 0.449 173 E N -0.268 119.945 120.200 0.021 0.000 2.106 173 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 173 E C 2.227 178.833 176.600 0.010 0.000 0.984 173 E CA 1.276 57.686 56.400 0.017 0.000 0.806 173 E CB -0.089 29.623 29.700 0.021 0.000 0.750 173 E HN 0.744 nan 8.360 nan 0.000 0.458 174 E N 1.726 121.932 120.200 0.009 0.000 2.051 174 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 174 E C 2.101 178.703 176.600 0.002 0.000 0.991 174 E CA 1.207 57.610 56.400 0.005 0.000 0.799 174 E CB 0.038 29.742 29.700 0.006 0.000 0.748 174 E HN 0.013 nan 8.360 nan 0.000 0.449 175 K N 0.060 120.462 120.400 0.002 0.000 2.026 175 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 175 K C 2.121 178.718 176.600 -0.004 0.000 1.048 175 K CA 1.220 57.506 56.287 -0.001 0.000 0.929 175 K CB -0.234 32.264 32.500 -0.002 0.000 0.713 175 K HN 0.203 nan 8.250 nan 0.000 0.439 176 A N 1.522 124.340 122.820 -0.004 0.000 1.933 176 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 176 A C 2.107 179.686 177.584 -0.009 0.000 1.175 176 A CA 1.696 53.728 52.037 -0.009 0.000 0.628 176 A CB -0.540 18.455 19.000 -0.008 0.000 0.814 176 A HN 0.437 nan 8.150 nan 0.000 0.444 177 R N -0.330 120.168 120.500 -0.004 0.000 2.073 177 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 177 R C 1.816 178.113 176.300 -0.005 0.000 1.120 177 R CA 1.317 57.415 56.100 -0.004 0.000 0.967 177 R CB -0.368 29.931 30.300 -0.000 0.000 0.862 177 R HN 0.470 nan 8.270 nan 0.000 0.436 178 L N 0.460 121.680 121.223 -0.004 0.000 2.156 178 L HA -0.049 4.290 4.340 -0.000 0.000 0.208 178 L C 1.253 178.120 176.870 -0.006 0.000 1.095 178 L CA 1.274 56.112 54.840 -0.004 0.000 0.770 178 L CB -0.116 41.941 42.059 -0.003 0.000 0.914 178 L HN 0.297 nan 8.230 nan 0.000 0.439 179 E N -0.025 120.170 120.200 -0.008 0.000 2.465 179 E HA 0.256 4.606 4.350 -0.000 0.000 0.195 179 E C 0.682 177.273 176.600 -0.014 0.000 1.028 179 E CA 0.306 56.700 56.400 -0.010 0.000 0.899 179 E CB 0.507 30.201 29.700 -0.011 0.000 1.032 179 E HN 0.304 nan 8.360 nan 0.000 0.468 180 A N 2.401 125.212 122.820 -0.014 0.000 2.560 180 A HA -0.277 4.043 4.320 -0.000 0.000 0.299 180 A C -0.122 177.447 177.584 -0.025 0.000 1.484 180 A CA 0.834 52.860 52.037 -0.018 0.000 0.749 180 A CB -1.534 17.457 19.000 -0.016 0.000 1.072 180 A HN 0.293 nan 8.150 nan 0.000 0.426 181 R N 0.218 120.701 120.500 -0.028 0.000 2.198 181 R HA 0.344 4.684 4.340 -0.000 0.000 0.339 181 R C 0.302 176.570 176.300 -0.053 0.000 1.020 181 R CA 0.058 56.133 56.100 -0.040 0.000 0.864 181 R CB 0.641 30.919 30.300 -0.036 0.000 1.105 181 R HN 0.599 nan 8.270 nan 0.000 0.463 182 D N 2.488 122.844 120.400 -0.072 0.000 2.369 182 D HA 0.014 4.654 4.640 -0.000 0.000 0.211 182 D C -0.010 176.197 176.300 -0.154 0.000 1.077 182 D CA -0.126 53.822 54.000 -0.088 0.000 0.842 182 D CB 0.336 41.092 40.800 -0.073 0.000 0.947 182 D HN 0.170 nan 8.370 nan 0.000 0.509 183 L N 0.851 121.959 121.223 -0.190 0.000 2.446 183 L HA 0.478 4.818 4.340 -0.000 0.000 0.268 183 L C -1.635 175.099 176.870 -0.227 0.000 0.975 183 L CA -0.781 53.867 54.840 -0.320 0.000 0.848 183 L CB 1.669 43.433 42.059 -0.491 0.000 1.225 183 L HN -0.102 nan 8.230 nan 0.000 0.410 184 I N 6.047 126.509 120.570 -0.180 0.000 2.339 184 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 184 I C -0.751 175.346 176.117 -0.033 0.000 0.994 184 I CA -0.374 60.884 61.300 -0.071 0.000 1.191 184 I CB 1.386 39.384 38.000 -0.005 0.000 1.343 184 I HN 0.443 nan 8.210 nan 0.000 0.458 185 L N 7.391 128.608 121.223 -0.009 0.000 2.295 185 L HA 0.459 4.799 4.340 -0.000 0.000 0.281 185 L C -0.609 176.302 176.870 0.067 0.000 1.018 185 L CA -0.704 54.175 54.840 0.064 0.000 0.841 185 L CB 1.433 43.511 42.059 0.030 0.000 1.218 185 L HN 0.290 nan 8.230 nan 0.000 0.424 186 V N 1.818 121.791 119.914 0.099 0.000 2.348 186 V HA 0.154 4.274 4.120 -0.000 0.000 0.270 186 V C -0.168 175.882 176.094 -0.074 0.000 1.037 186 V CA -0.454 61.830 62.300 -0.028 0.000 0.872 186 V CB 1.487 33.223 31.823 -0.144 0.000 1.002 186 V HN 0.585 nan 8.190 nan 0.000 0.464 187 D N 4.448 124.808 120.400 -0.067 0.000 2.365 187 D HA 0.281 4.921 4.640 -0.000 0.000 0.237 187 D C 0.534 176.771 176.300 -0.104 0.000 1.190 187 D CA -0.066 53.899 54.000 -0.058 0.000 0.867 187 D CB 1.053 41.836 40.800 -0.028 0.000 1.050 187 D HN 0.686 nan 8.370 nan 0.000 0.491 188 T N 0.598 115.075 114.554 -0.128 0.000 2.902 188 T HA 0.677 5.027 4.350 -0.000 0.000 0.280 188 T C 0.519 175.190 174.700 -0.049 0.000 0.992 188 T CA -0.942 61.076 62.100 -0.137 0.000 1.015 188 T CB 1.331 70.092 68.868 -0.179 0.000 1.044 188 T HN 0.397 nan 8.240 nan 0.000 0.520 189 A N 0.594 123.397 122.820 -0.027 0.000 2.511 189 A HA 0.572 4.892 4.320 -0.000 0.000 0.242 189 A C 0.744 178.355 177.584 0.045 0.000 1.069 189 A CA 0.007 52.048 52.037 0.006 0.000 0.763 189 A CB -0.730 18.276 19.000 0.010 0.000 1.001 189 A HN 1.393 nan 8.150 nan 0.000 0.498 190 G N 1.907 110.733 108.800 0.043 0.000 2.638 190 G HA2 0.613 4.573 3.960 -0.000 0.000 0.302 190 G HA3 0.613 4.573 3.960 -0.000 0.000 0.302 190 G C -0.629 174.304 174.900 0.055 0.000 1.365 190 G CA -0.700 44.443 45.100 0.072 0.000 0.987 190 G HN 0.649 nan 8.290 nan 0.000 0.495 191 R N 1.056 121.596 120.500 0.068 0.000 2.939 191 R HA 0.486 4.826 4.340 -0.000 0.000 0.254 191 R C 1.139 177.468 176.300 0.048 0.000 1.123 191 R CA -1.057 55.069 56.100 0.044 0.000 1.020 191 R CB 1.172 31.491 30.300 0.033 0.000 1.206 191 R HN 0.422 nan 8.270 nan 0.000 0.491 192 L N 0.488 121.730 121.223 0.032 0.000 2.217 192 L HA -0.021 4.319 4.340 -0.000 0.000 0.211 192 L C 0.584 177.474 176.870 0.034 0.000 1.107 192 L CA 1.472 56.330 54.840 0.030 0.000 0.783 192 L CB -0.014 42.056 42.059 0.019 0.000 0.919 192 L HN 0.337 nan 8.230 nan 0.000 0.442 193 Q N -0.713 119.103 119.800 0.028 0.000 2.458 193 Q HA 0.379 4.719 4.340 -0.000 0.000 0.282 193 Q C -0.570 175.438 176.000 0.013 0.000 1.106 193 Q CA -1.090 54.726 55.803 0.021 0.000 0.814 193 Q CB 2.589 31.330 28.738 0.005 0.000 1.425 193 Q HN -0.103 nan 8.270 nan 0.000 0.437 194 I N 2.014 122.577 120.570 -0.012 0.000 2.919 194 I HA -0.136 4.034 4.170 -0.000 0.000 0.299 194 I C -0.121 175.955 176.117 -0.068 0.000 1.221 194 I CA 0.925 62.176 61.300 -0.082 0.000 1.424 194 I CB -0.590 37.332 38.000 -0.130 0.000 1.358 194 I HN 0.602 nan 8.210 nan 0.000 0.551 195 D N 5.561 125.918 120.400 -0.072 0.000 2.414 195 D HA 0.168 4.808 4.640 -0.000 0.000 0.232 195 D C 0.947 177.206 176.300 -0.069 0.000 1.070 195 D CA -0.366 53.603 54.000 -0.050 0.000 0.839 195 D CB 1.177 41.963 40.800 -0.022 0.000 1.079 195 D HN 0.371 nan 8.370 nan 0.000 0.521 196 E N 3.791 123.952 120.200 -0.064 0.000 2.051 196 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 196 E C -1.008 175.564 176.600 -0.047 0.000 0.991 196 E CA 1.175 57.535 56.400 -0.067 0.000 0.799 196 E CB -0.762 28.905 29.700 -0.055 0.000 0.748 196 E HN 0.435 nan 8.360 nan 0.000 0.449 197 P HA -0.140 nan 4.420 nan 0.000 0.215 197 P C 1.539 178.831 177.300 -0.014 0.000 1.153 197 P CA 0.836 63.924 63.100 -0.019 0.000 0.853 197 P CB -0.077 31.615 31.700 -0.013 0.000 0.788 198 L N -1.410 119.804 121.223 -0.015 0.000 2.042 198 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 198 L C 2.282 179.150 176.870 -0.003 0.000 1.076 198 L CA 1.914 56.752 54.840 -0.003 0.000 0.749 198 L CB -1.151 40.910 42.059 0.003 0.000 0.893 198 L HN -0.077 nan 8.230 nan 0.000 0.432 199 M N -1.337 118.239 119.600 -0.041 0.000 2.213 199 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 199 M C 2.156 178.448 176.300 -0.013 0.000 1.062 199 M CA 1.502 56.766 55.300 -0.060 0.000 1.105 199 M CB -1.380 31.125 32.600 -0.158 0.000 1.385 199 M HN 0.452 nan 8.290 nan 0.000 0.417 200 G N 0.323 109.115 108.800 -0.013 0.000 2.421 200 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.216 200 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.216 200 G C 1.346 176.260 174.900 0.023 0.000 1.171 200 G CA 0.650 45.752 45.100 0.003 0.000 0.775 200 G HN 0.510 nan 8.290 nan 0.000 0.543 201 E N -0.191 120.023 120.200 0.024 0.000 2.085 201 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 201 E C 2.365 179.004 176.600 0.065 0.000 0.994 201 E CA 0.860 57.282 56.400 0.036 0.000 0.801 201 E CB -0.207 29.509 29.700 0.026 0.000 0.743 201 E HN 0.338 nan 8.360 nan 0.000 0.453 202 L N 1.028 122.298 121.223 0.078 0.000 2.046 202 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 202 L C 2.204 179.182 176.870 0.180 0.000 1.077 202 L CA 1.986 56.910 54.840 0.140 0.000 0.747 202 L CB -0.675 41.483 42.059 0.165 0.000 0.896 202 L HN 0.051 nan 8.230 nan 0.000 0.432 203 A N -0.388 122.501 122.820 0.114 0.000 1.877 203 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 203 A C 2.410 180.046 177.584 0.087 0.000 1.186 203 A CA 1.774 53.865 52.037 0.091 0.000 0.620 203 A CB -0.536 18.492 19.000 0.046 0.000 0.822 203 A HN 0.502 nan 8.150 nan 0.000 0.443 204 R N -1.218 119.328 120.500 0.076 0.000 2.081 204 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 204 R C 2.136 178.498 176.300 0.104 0.000 1.131 204 R CA 1.462 57.604 56.100 0.070 0.000 0.960 204 R CB -0.653 29.678 30.300 0.051 0.000 0.856 204 R HN 0.479 nan 8.270 nan 0.000 0.436 205 L N 1.791 123.102 121.223 0.147 0.000 2.012 205 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 205 L C 2.407 179.489 176.870 0.352 0.000 1.073 205 L CA 1.846 56.819 54.840 0.221 0.000 0.748 205 L CB -0.376 41.802 42.059 0.198 0.000 0.891 205 L HN 0.041 nan 8.230 nan 0.000 0.431 206 K N -0.735 119.870 120.400 0.342 0.000 2.057 206 K HA -0.272 4.048 4.320 -0.000 0.000 0.207 206 K C 2.111 178.699 176.600 -0.020 0.000 1.049 206 K CA 1.689 58.001 56.287 0.042 0.000 0.931 206 K CB -0.164 32.306 32.500 -0.050 0.000 0.714 206 K HN 0.345 nan 8.250 nan 0.000 0.440 207 E N 0.469 120.688 120.200 0.033 0.000 2.077 207 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 207 E C 1.749 178.364 176.600 0.025 0.000 0.989 207 E CA 1.597 58.005 56.400 0.014 0.000 0.800 207 E CB -0.124 29.590 29.700 0.024 0.000 0.746 207 E HN 0.183 nan 8.360 nan 0.000 0.452 208 V N 0.356 120.305 119.914 0.058 0.000 2.346 208 V HA -0.130 3.990 4.120 -0.000 0.000 0.244 208 V C 2.222 178.357 176.094 0.068 0.000 1.037 208 V CA 1.125 63.461 62.300 0.060 0.000 1.029 208 V CB -0.325 31.538 31.823 0.067 0.000 0.663 208 V HN 0.325 nan 8.190 nan 0.000 0.454 209 L N 0.389 121.680 121.223 0.112 0.000 2.240 209 L HA 0.196 4.536 4.340 -0.000 0.000 0.211 209 L C 1.722 178.622 176.870 0.050 0.000 1.106 209 L CA 1.634 56.551 54.840 0.128 0.000 0.793 209 L CB -1.834 40.402 42.059 0.295 0.000 0.927 209 L HN 0.609 nan 8.230 nan 0.000 0.446 210 G N 2.062 110.846 108.800 -0.027 0.000 2.370 210 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.293 210 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.293 210 G C -2.020 172.826 174.900 -0.090 0.000 0.992 210 G CA -0.321 44.736 45.100 -0.073 0.000 1.247 210 G HN 0.222 nan 8.290 nan 0.000 0.505 211 P HA 0.170 nan 4.420 nan 0.000 0.269 211 P C 0.479 177.735 177.300 -0.073 0.000 1.209 211 P CA -0.180 62.834 63.100 -0.145 0.000 0.776 211 P CB 0.929 32.360 31.700 -0.449 0.000 0.876 212 D N 0.628 121.059 120.400 0.052 0.000 2.234 212 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 212 D C 0.369 176.646 176.300 -0.039 0.000 0.962 212 D CA 1.370 55.401 54.000 0.053 0.000 0.855 212 D CB 0.595 41.499 40.800 0.173 0.000 0.951 212 D HN 0.502 nan 8.370 nan 0.000 0.500 213 E N 0.104 120.239 120.200 -0.109 0.000 2.383 213 E HA 0.418 4.768 4.350 -0.000 0.000 0.275 213 E C -1.000 175.506 176.600 -0.157 0.000 0.918 213 E CA -0.721 55.518 56.400 -0.268 0.000 0.764 213 E CB 3.349 32.592 29.700 -0.762 0.000 1.252 213 E HN -0.270 nan 8.360 nan 0.000 0.449 214 V N 2.638 122.478 119.914 -0.122 0.000 2.398 214 V HA 0.209 4.329 4.120 -0.000 0.000 0.282 214 V C -0.794 175.272 176.094 -0.045 0.000 1.014 214 V CA -0.653 61.628 62.300 -0.032 0.000 0.838 214 V CB 1.012 32.803 31.823 -0.053 0.000 1.018 214 V HN 0.442 nan 8.190 nan 0.000 0.432 215 L N 5.512 126.739 121.223 0.007 0.000 2.283 215 L HA 0.417 4.756 4.340 -0.000 0.000 0.287 215 L C -0.210 176.627 176.870 -0.056 0.000 1.073 215 L CA -0.010 54.825 54.840 -0.009 0.000 0.822 215 L CB 1.150 43.270 42.059 0.100 0.000 1.186 215 L HN 0.554 nan 8.230 nan 0.000 0.436 216 L N 5.806 126.951 121.223 -0.129 0.000 2.278 216 L HA 0.397 4.737 4.340 -0.000 0.000 0.287 216 L C -0.360 176.416 176.870 -0.156 0.000 1.072 216 L CA 0.162 54.880 54.840 -0.204 0.000 0.819 216 L CB 0.875 42.803 42.059 -0.219 0.000 1.176 216 L HN 0.283 nan 8.230 nan 0.000 0.435 217 V N 7.037 126.856 119.914 -0.159 0.000 2.465 217 V HA 0.410 4.530 4.120 -0.000 0.000 0.279 217 V C 0.130 176.162 176.094 -0.104 0.000 1.045 217 V CA -0.428 61.816 62.300 -0.094 0.000 0.938 217 V CB 1.192 32.977 31.823 -0.063 0.000 0.986 217 V HN 0.610 nan 8.190 nan 0.000 0.467 218 L N 3.767 124.949 121.223 -0.068 0.000 2.409 218 L HA 0.475 4.815 4.340 -0.000 0.000 0.272 218 L C -0.604 176.251 176.870 -0.026 0.000 0.980 218 L CA -0.639 54.169 54.840 -0.053 0.000 0.826 218 L CB 2.174 44.195 42.059 -0.063 0.000 1.268 218 L HN 0.528 nan 8.230 nan 0.000 0.407 219 D N 2.483 122.873 120.400 -0.016 0.000 2.338 219 D HA 0.206 4.846 4.640 -0.000 0.000 0.255 219 D C 0.871 177.168 176.300 -0.005 0.000 1.237 219 D CA 0.032 54.031 54.000 -0.002 0.000 0.883 219 D CB 1.986 42.787 40.800 0.001 0.000 1.087 219 D HN 0.637 nan 8.370 nan 0.000 0.485 220 A N 4.639 127.463 122.820 0.007 0.000 2.067 220 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 220 A C 2.143 179.714 177.584 -0.021 0.000 1.158 220 A CA 0.846 52.880 52.037 -0.005 0.000 0.661 220 A CB -0.348 18.675 19.000 0.038 0.000 0.801 220 A HN 0.729 nan 8.150 nan 0.000 0.452 221 M N -0.165 119.435 119.600 0.000 0.000 2.394 221 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 221 M C 2.026 178.315 176.300 -0.017 0.000 1.073 221 M CA 1.642 56.939 55.300 -0.005 0.000 1.111 221 M CB -0.408 32.199 32.600 0.012 0.000 1.401 221 M HN 0.620 nan 8.290 nan 0.000 0.448 222 T N -2.292 112.252 114.554 -0.016 0.000 3.148 222 T HA 0.369 4.719 4.350 -0.000 0.000 0.253 222 T C 1.154 175.838 174.700 -0.027 0.000 1.134 222 T CA 0.250 62.340 62.100 -0.016 0.000 1.051 222 T CB -0.475 68.389 68.868 -0.008 0.000 0.959 222 T HN 0.574 nan 8.240 nan 0.000 0.525 223 G N 1.554 110.328 108.800 -0.044 0.000 2.539 223 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.256 223 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.256 223 G C 0.496 175.368 174.900 -0.047 0.000 1.233 223 G CA 0.322 45.388 45.100 -0.058 0.000 0.936 223 G HN 0.369 nan 8.290 nan 0.000 0.571 224 Q N -0.538 119.236 119.800 -0.043 0.000 2.181 224 Q HA -0.123 4.217 4.340 -0.000 0.000 0.205 224 Q C 2.452 178.440 176.000 -0.020 0.000 0.980 224 Q CA 1.890 57.674 55.803 -0.031 0.000 0.862 224 Q CB -0.109 28.613 28.738 -0.027 0.000 0.905 224 Q HN 0.594 nan 8.270 nan 0.000 0.429 225 E N 0.273 120.463 120.200 -0.016 0.000 2.268 225 E HA -0.125 4.224 4.350 -0.000 0.000 0.195 225 E C 1.624 178.224 176.600 0.001 0.000 0.995 225 E CA 0.940 57.337 56.400 -0.006 0.000 0.836 225 E CB -0.101 29.596 29.700 -0.004 0.000 0.763 225 E HN 0.373 nan 8.360 nan 0.000 0.491 226 A N 0.256 123.072 122.820 -0.006 0.000 1.940 226 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 226 A C 2.038 179.624 177.584 0.003 0.000 1.176 226 A CA 1.427 53.462 52.037 -0.002 0.000 0.631 226 A CB -0.589 18.400 19.000 -0.018 0.000 0.814 226 A HN 0.353 nan 8.150 nan 0.000 0.446 227 L N 0.394 121.613 121.223 -0.007 0.000 2.418 227 L HA -0.061 4.279 4.340 -0.000 0.000 0.218 227 L C 2.703 179.576 176.870 0.006 0.000 1.125 227 L CA 0.946 55.781 54.840 -0.008 0.000 0.835 227 L CB -0.451 41.595 42.059 -0.021 0.000 0.953 227 L HN 0.558 nan 8.230 nan 0.000 0.454 228 S N 0.441 116.147 115.700 0.010 0.000 2.399 228 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 228 S C 1.890 176.508 174.600 0.030 0.000 1.022 228 S CA 1.192 59.398 58.200 0.011 0.000 0.983 228 S CB -0.865 62.339 63.200 0.006 0.000 0.803 228 S HN 0.371 nan 8.310 nan 0.000 0.480 229 V N -0.733 119.222 119.914 0.068 0.000 3.041 229 V HA 0.384 4.503 4.120 -0.000 0.000 0.260 229 V C 2.504 178.731 176.094 0.221 0.000 1.105 229 V CA 0.844 63.229 62.300 0.142 0.000 1.125 229 V CB -1.351 30.615 31.823 0.238 0.000 0.730 229 V HN 0.522 nan 8.190 nan 0.000 0.479 230 A N 1.604 124.502 122.820 0.130 0.000 1.930 230 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 230 A C 2.322 179.965 177.584 0.098 0.000 1.175 230 A CA 1.792 53.897 52.037 0.114 0.000 0.627 230 A CB -0.402 18.610 19.000 0.019 0.000 0.815 230 A HN 0.573 nan 8.150 nan 0.000 0.443 231 R N 0.108 120.634 120.500 0.044 0.000 2.115 231 R HA 0.177 4.517 4.340 -0.000 0.000 0.226 231 R C 2.296 178.601 176.300 0.008 0.000 1.100 231 R CA 1.189 57.295 56.100 0.011 0.000 0.980 231 R CB -0.658 29.633 30.300 -0.014 0.000 0.875 231 R HN 0.445 nan 8.270 nan 0.000 0.445 232 A N 0.584 123.401 122.820 -0.005 0.000 1.877 232 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 232 A C 1.870 179.391 177.584 -0.104 0.000 1.186 232 A CA 1.214 53.199 52.037 -0.087 0.000 0.620 232 A CB -0.672 18.228 19.000 -0.167 0.000 0.822 232 A HN 0.229 nan 8.150 nan 0.000 0.443 233 F N 0.005 119.946 119.950 -0.014 0.000 2.134 233 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 233 F C 2.149 177.940 175.800 -0.014 0.000 1.097 233 F CA 1.803 59.800 58.000 -0.006 0.000 1.264 233 F CB -0.427 38.572 39.000 -0.003 0.000 1.001 233 F HN 0.317 nan 8.300 nan 0.000 0.479 234 D N -0.219 120.269 120.400 0.148 0.000 2.178 234 D HA -0.173 4.467 4.640 -0.000 0.000 0.202 234 D C 2.016 178.331 176.300 0.024 0.000 0.974 234 D CA 1.072 55.107 54.000 0.059 0.000 0.841 234 D CB 0.008 40.819 40.800 0.018 0.000 0.953 234 D HN 0.226 nan 8.370 nan 0.000 0.478 235 E N -0.460 119.745 120.200 0.009 0.000 2.046 235 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 235 E C 1.730 178.323 176.600 -0.012 0.000 0.982 235 E CA 0.968 57.361 56.400 -0.012 0.000 0.800 235 E CB 0.205 29.890 29.700 -0.025 0.000 0.756 235 E HN -0.005 nan 8.360 nan 0.000 0.449 236 K N -0.529 119.860 120.400 -0.018 0.000 2.137 236 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 236 K C 1.881 178.491 176.600 0.018 0.000 1.052 236 K CA 0.753 57.030 56.287 -0.015 0.000 0.961 236 K CB 0.215 32.684 32.500 -0.051 0.000 0.741 236 K HN 0.113 nan 8.250 nan 0.000 0.452 237 V N -1.111 118.833 119.914 0.050 0.000 2.911 237 V HA 0.262 4.382 4.120 -0.000 0.000 0.237 237 V C 0.470 176.587 176.094 0.038 0.000 1.156 237 V CA 0.527 62.873 62.300 0.076 0.000 1.180 237 V CB 0.287 32.215 31.823 0.175 0.000 0.932 237 V HN 0.413 nan 8.190 nan 0.000 0.483 238 G N 0.792 109.614 108.800 0.038 0.000 3.445 238 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.686 238 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.686 238 G C -1.019 173.876 174.900 -0.009 0.000 1.113 238 G CA -0.335 44.764 45.100 -0.001 0.000 0.974 238 G HN 0.312 nan 8.290 nan 0.000 0.492 239 V N 2.687 122.588 119.914 -0.022 0.000 2.513 239 V HA 0.752 4.872 4.120 -0.000 0.000 0.299 239 V C 1.463 177.496 176.094 -0.102 0.000 1.035 239 V CA 0.395 62.663 62.300 -0.054 0.000 0.889 239 V CB 1.817 33.611 31.823 -0.048 0.000 0.988 239 V HN 1.357 nan 8.190 nan 0.000 0.440 240 T N -0.072 114.401 114.554 -0.135 0.000 3.014 240 T HA 0.477 4.827 4.350 -0.000 0.000 0.250 240 T C 0.619 175.107 174.700 -0.352 0.000 1.060 240 T CA 0.480 62.481 62.100 -0.164 0.000 1.040 240 T CB 0.565 69.379 68.868 -0.091 0.000 0.971 240 T HN 1.136 nan 8.240 nan 0.000 0.497 241 G N 0.452 108.963 108.800 -0.482 0.000 2.466 241 G HA2 0.541 4.500 3.960 -0.000 0.000 0.291 241 G HA3 0.541 4.500 3.960 -0.000 0.000 0.291 241 G C -2.110 172.459 174.900 -0.551 0.000 1.460 241 G CA -1.129 43.426 45.100 -0.908 0.000 0.791 241 G HN 0.326 nan 8.290 nan 0.000 0.505 242 L N -0.251 120.673 121.223 -0.498 0.000 2.330 242 L HA 0.785 5.124 4.340 -0.000 0.000 0.271 242 L C -0.381 176.414 176.870 -0.125 0.000 1.013 242 L CA -1.332 53.355 54.840 -0.255 0.000 0.816 242 L CB 2.195 44.106 42.059 -0.247 0.000 1.287 242 L HN 0.277 nan 8.230 nan 0.000 0.435 243 V N 3.302 123.193 119.914 -0.038 0.000 2.378 243 V HA 0.358 4.478 4.120 -0.000 0.000 0.288 243 V C -0.061 176.024 176.094 -0.014 0.000 1.016 243 V CA -0.397 61.931 62.300 0.046 0.000 0.840 243 V CB 1.720 33.611 31.823 0.113 0.000 0.994 243 V HN 0.482 nan 8.190 nan 0.000 0.431 244 L N 5.766 126.974 121.223 -0.025 0.000 2.268 244 L HA 0.455 4.794 4.340 -0.000 0.000 0.289 244 L C 0.835 177.734 176.870 0.048 0.000 1.064 244 L CA -0.129 54.703 54.840 -0.013 0.000 0.824 244 L CB 1.216 43.252 42.059 -0.040 0.000 1.202 244 L HN 0.790 nan 8.230 nan 0.000 0.433 245 T N -0.759 113.818 114.554 0.039 0.000 2.902 245 T HA 0.370 4.720 4.350 -0.000 0.000 0.280 245 T C 0.427 175.165 174.700 0.062 0.000 0.992 245 T CA -0.778 61.352 62.100 0.050 0.000 1.015 245 T CB 1.345 70.231 68.868 0.030 0.000 1.044 245 T HN 0.633 nan 8.240 nan 0.000 0.520 246 K N 0.036 120.475 120.400 0.064 0.000 3.129 246 K HA -0.145 4.175 4.320 -0.000 0.000 0.273 246 K C 1.089 177.750 176.600 0.103 0.000 1.123 246 K CA 0.533 56.860 56.287 0.067 0.000 0.800 246 K CB -1.975 30.554 32.500 0.048 0.000 1.238 246 K HN 0.593 nan 8.250 nan 0.000 0.492 247 L N 0.875 122.179 121.223 0.136 0.000 2.131 247 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 247 L C 2.380 179.348 176.870 0.163 0.000 1.092 247 L CA 1.944 56.914 54.840 0.216 0.000 0.759 247 L CB -0.566 41.613 42.059 0.199 0.000 0.903 247 L HN 0.446 nan 8.230 nan 0.000 0.435 248 D N -0.370 120.087 120.400 0.095 0.000 2.310 248 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 248 D C 1.623 177.967 176.300 0.073 0.000 0.965 248 D CA 1.224 55.264 54.000 0.067 0.000 0.879 248 D CB -0.110 40.717 40.800 0.045 0.000 0.921 248 D HN 0.301 nan 8.370 nan 0.000 0.510 249 G N 0.050 108.899 108.800 0.082 0.000 3.393 249 G HA2 0.041 4.001 3.960 -0.000 0.000 0.255 249 G HA3 0.041 4.001 3.960 -0.000 0.000 0.255 249 G C -0.502 174.445 174.900 0.079 0.000 1.097 249 G CA -0.326 44.815 45.100 0.068 0.000 0.780 249 G HN 0.112 nan 8.290 nan 0.000 0.540 250 D N 0.338 120.814 120.400 0.127 0.000 2.440 250 D HA 0.558 5.198 4.640 -0.000 0.000 0.239 250 D C 0.937 177.346 176.300 0.182 0.000 1.084 250 D CA -0.507 53.571 54.000 0.130 0.000 0.843 250 D CB 1.522 42.422 40.800 0.167 0.000 1.097 250 D HN -0.050 nan 8.370 nan 0.000 0.531 251 A N 4.012 126.887 122.820 0.091 0.000 2.238 251 A HA 0.148 4.468 4.320 -0.000 0.000 0.210 251 A C 1.755 179.371 177.584 0.053 0.000 1.179 251 A CA 0.405 52.501 52.037 0.098 0.000 0.827 251 A CB 0.170 19.203 19.000 0.055 0.000 0.856 251 A HN 0.517 nan 8.150 nan 0.000 0.488 252 R N -1.957 118.504 120.500 -0.065 0.000 2.076 252 R HA 0.384 4.723 4.340 -0.000 0.000 0.203 252 R C 1.501 177.559 176.300 -0.404 0.000 1.229 252 R CA 0.909 56.914 56.100 -0.158 0.000 1.094 252 R CB -0.092 30.120 30.300 -0.146 0.000 0.991 252 R HN 0.607 nan 8.270 nan 0.000 0.471 253 G N -0.659 107.711 108.800 -0.717 0.000 2.176 253 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.232 253 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.232 253 G C 0.938 175.442 174.900 -0.661 0.000 0.986 253 G CA 0.297 44.525 45.100 -1.454 0.000 0.643 253 G HN 0.510 nan 8.290 nan 0.000 0.522 254 G N 0.935 109.514 108.800 -0.369 0.000 2.459 254 G HA2 0.146 4.106 3.960 -0.000 0.000 0.217 254 G HA3 0.146 4.106 3.960 -0.000 0.000 0.217 254 G C 2.055 176.858 174.900 -0.161 0.000 1.183 254 G CA 2.934 47.904 45.100 -0.217 0.000 0.776 254 G HN 1.623 nan 8.290 nan 0.000 0.552 255 A N 1.278 124.009 122.820 -0.150 0.000 1.865 255 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 255 A C 2.871 180.399 177.584 -0.094 0.000 1.191 255 A CA 2.668 54.645 52.037 -0.100 0.000 0.623 255 A CB -1.019 17.931 19.000 -0.085 0.000 0.826 255 A HN 0.965 nan 8.150 nan 0.000 0.444 256 A N -1.014 121.731 122.820 -0.125 0.000 1.940 256 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 256 A C 2.110 179.686 177.584 -0.013 0.000 1.176 256 A CA 1.891 53.895 52.037 -0.054 0.000 0.631 256 A CB -0.508 18.510 19.000 0.030 0.000 0.814 256 A HN 0.632 nan 8.150 nan 0.000 0.446 257 L N -0.656 120.539 121.223 -0.047 0.000 2.270 257 L HA 0.082 4.422 4.340 -0.000 0.000 0.210 257 L C 2.265 179.150 176.870 0.024 0.000 1.104 257 L CA 2.081 56.935 54.840 0.023 0.000 0.804 257 L CB -0.336 41.708 42.059 -0.026 0.000 0.937 257 L HN 0.259 nan 8.230 nan 0.000 0.450 258 S N -0.644 115.051 115.700 -0.008 0.000 2.478 258 S HA 0.107 4.577 4.470 -0.000 0.000 0.222 258 S C 2.088 176.707 174.600 0.031 0.000 1.008 258 S CA 0.594 58.809 58.200 0.025 0.000 0.928 258 S CB -0.133 63.071 63.200 0.005 0.000 0.781 258 S HN 0.547 nan 8.310 nan 0.000 0.518 259 A N 2.462 125.272 122.820 -0.016 0.000 1.917 259 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 259 A C 2.087 179.641 177.584 -0.051 0.000 1.182 259 A CA 1.968 53.975 52.037 -0.050 0.000 0.633 259 A CB -0.539 18.405 19.000 -0.094 0.000 0.819 259 A HN 0.350 nan 8.150 nan 0.000 0.448 260 R N -0.479 120.003 120.500 -0.031 0.000 2.081 260 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 260 R C 2.070 178.378 176.300 0.012 0.000 1.131 260 R CA 2.434 58.518 56.100 -0.027 0.000 0.960 260 R CB -0.893 29.409 30.300 0.004 0.000 0.856 260 R HN 0.803 nan 8.270 nan 0.000 0.436 261 H N -1.129 117.925 119.070 -0.026 0.000 2.448 261 H HA 0.121 4.677 4.556 -0.000 0.000 0.292 261 H C 1.526 176.840 175.328 -0.023 0.000 1.035 261 H CA 1.306 57.343 56.048 -0.018 0.000 1.349 261 H CB 0.145 29.907 29.762 -0.000 0.000 1.425 261 H HN 0.042 nan 8.280 nan 0.000 0.539 262 V N 0.563 120.388 119.914 -0.148 0.000 2.453 262 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 262 V C 2.564 178.546 176.094 -0.186 0.000 1.048 262 V CA 2.100 64.279 62.300 -0.200 0.000 1.049 262 V CB -0.514 31.286 31.823 -0.038 0.000 0.672 262 V HN 0.834 nan 8.190 nan 0.000 0.457 263 T N -3.058 111.417 114.554 -0.133 0.000 3.051 263 T HA 0.221 4.570 4.350 -0.000 0.000 0.255 263 T C 1.686 176.313 174.700 -0.122 0.000 1.085 263 T CA 1.003 63.035 62.100 -0.113 0.000 1.109 263 T CB 0.449 69.256 68.868 -0.102 0.000 0.921 263 T HN 0.918 nan 8.240 nan 0.000 0.488 264 G N 1.778 110.499 108.800 -0.132 0.000 2.175 264 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.265 264 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.265 264 G C -0.026 174.812 174.900 -0.104 0.000 0.979 264 G CA 0.407 45.443 45.100 -0.108 0.000 0.663 264 G HN 0.654 nan 8.290 nan 0.000 0.533 265 K N 0.647 120.970 120.400 -0.129 0.000 2.203 265 K HA 0.539 4.859 4.320 -0.000 0.000 0.251 265 K C -2.526 173.949 176.600 -0.208 0.000 0.944 265 K CA -2.198 53.984 56.287 -0.176 0.000 0.829 265 K CB 2.354 34.727 32.500 -0.212 0.000 1.125 265 K HN 0.103 nan 8.250 nan 0.000 0.430 266 P HA 0.239 nan 4.420 nan 0.000 0.275 266 P C -0.242 176.830 177.300 -0.381 0.000 1.227 266 P CA -0.254 62.703 63.100 -0.238 0.000 0.781 266 P CB 0.535 32.136 31.700 -0.165 0.000 0.906 267 I N 3.613 123.997 120.570 -0.310 0.000 2.379 267 I HA 0.104 4.274 4.170 -0.000 0.000 0.290 267 I C 1.483 177.480 176.117 -0.201 0.000 1.063 267 I CA -0.211 60.829 61.300 -0.434 0.000 1.351 267 I CB 0.115 37.570 38.000 -0.908 0.000 1.410 267 I HN 0.445 nan 8.210 nan 0.000 0.505 268 Y N 4.810 124.952 120.300 -0.265 0.000 2.262 268 Y HA 0.145 4.695 4.550 -0.000 0.000 0.295 268 Y C 0.472 175.989 175.900 -0.638 0.000 1.121 268 Y CA 0.040 57.878 58.100 -0.437 0.000 1.144 268 Y CB 0.483 38.717 38.460 -0.377 0.000 1.043 268 Y HN 0.348 nan 8.280 nan 0.000 0.528 269 F N -1.156 118.897 119.950 0.173 0.000 2.626 269 F HA 0.650 5.177 4.527 -0.000 0.000 0.311 269 F C -0.422 175.437 175.800 0.099 0.000 1.088 269 F CA -1.415 56.664 58.000 0.132 0.000 0.949 269 F CB 1.433 40.475 39.000 0.069 0.000 1.322 269 F HN -0.325 nan 8.300 nan 0.000 0.461 270 A N 0.606 123.646 122.820 0.366 0.000 2.342 270 A HA 0.776 5.096 4.320 -0.000 0.000 0.323 270 A C -0.341 177.350 177.584 0.178 0.000 1.125 270 A CA -0.574 51.618 52.037 0.258 0.000 0.785 270 A CB 0.981 20.190 19.000 0.349 0.000 1.221 270 A HN 0.980 nan 8.150 nan 0.000 0.463 271 G N 0.163 109.037 108.800 0.124 0.000 2.322 271 G HA2 0.507 4.466 3.960 -0.000 0.000 0.309 271 G HA3 0.507 4.466 3.960 -0.000 0.000 0.309 271 G C 0.327 175.275 174.900 0.079 0.000 1.121 271 G CA 0.245 45.393 45.100 0.080 0.000 0.886 271 G HN 1.641 nan 8.290 nan 0.000 0.447 272 V N -0.232 119.719 119.914 0.062 0.000 3.346 272 V HA 0.571 4.691 4.120 -0.000 0.000 0.309 272 V C 0.497 176.614 176.094 0.039 0.000 1.457 272 V CA 0.483 62.816 62.300 0.054 0.000 1.069 272 V CB -0.801 31.051 31.823 0.049 0.000 0.944 272 V HN 1.085 nan 8.190 nan 0.000 0.449 273 S N -0.444 115.276 115.700 0.035 0.000 2.615 273 S HA 0.304 4.774 4.470 -0.000 0.000 0.268 273 S C 0.495 175.109 174.600 0.024 0.000 1.146 273 S CA 0.102 58.318 58.200 0.028 0.000 0.818 273 S CB 1.302 64.516 63.200 0.023 0.000 1.111 273 S HN 0.382 nan 8.310 nan 0.000 0.465 274 E N 0.380 120.592 120.200 0.020 0.000 2.268 274 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 274 E C -0.172 176.436 176.600 0.013 0.000 0.995 274 E CA 0.496 56.906 56.400 0.016 0.000 0.836 274 E CB -0.202 29.507 29.700 0.015 0.000 0.763 274 E HN 0.402 nan 8.360 nan 0.000 0.491 275 K N 1.446 121.855 120.400 0.014 0.000 2.154 275 K HA 0.198 4.518 4.320 -0.000 0.000 0.264 275 K C -1.803 174.804 176.600 0.011 0.000 1.008 275 K CA -2.803 53.491 56.287 0.012 0.000 0.937 275 K CB 0.372 32.880 32.500 0.013 0.000 1.002 275 K HN -0.190 nan 8.250 nan 0.000 0.469 276 P HA -0.111 nan 4.420 nan 0.000 0.221 276 P C 0.126 177.434 177.300 0.013 0.000 1.145 276 P CA 1.155 64.260 63.100 0.009 0.000 0.795 276 P CB 0.322 32.028 31.700 0.009 0.000 0.775 277 E N -1.017 119.194 120.200 0.018 0.000 2.481 277 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 277 E C 1.585 178.201 176.600 0.027 0.000 1.047 277 E CA 0.314 56.731 56.400 0.028 0.000 0.867 277 E CB -0.827 28.889 29.700 0.026 0.000 0.858 277 E HN 0.137 nan 8.360 nan 0.000 0.513 278 G N 1.166 109.978 108.800 0.019 0.000 3.455 278 G HA2 0.300 4.260 3.960 -0.000 0.000 0.250 278 G HA3 0.300 4.260 3.960 -0.000 0.000 0.250 278 G C -0.611 174.299 174.900 0.017 0.000 1.071 278 G CA -0.214 44.899 45.100 0.022 0.000 1.812 278 G HN 0.076 nan 8.290 nan 0.000 0.643 279 L N -0.592 120.634 121.223 0.005 0.000 2.381 279 L HA 0.635 4.975 4.340 -0.000 0.000 0.274 279 L C -0.776 176.091 176.870 -0.004 0.000 0.988 279 L CA -0.785 54.037 54.840 -0.030 0.000 0.824 279 L CB 2.353 44.320 42.059 -0.152 0.000 1.263 279 L HN 0.146 nan 8.230 nan 0.000 0.410 280 E N 6.504 126.755 120.200 0.085 0.000 2.210 280 E HA 0.522 4.871 4.350 -0.000 0.000 0.266 280 E C -2.599 174.153 176.600 0.253 0.000 0.883 280 E CA -2.485 53.996 56.400 0.135 0.000 0.761 280 E CB 1.897 31.679 29.700 0.137 0.000 1.156 280 E HN 0.355 nan 8.360 nan 0.000 0.412 281 P HA -0.004 nan 4.420 nan 0.000 0.271 281 P C -0.804 176.598 177.300 0.170 0.000 1.216 281 P CA 0.001 63.186 63.100 0.141 0.000 0.771 281 P CB 0.271 32.080 31.700 0.182 0.000 0.864 282 F N 4.230 124.095 119.950 -0.142 0.000 2.421 282 F HA 0.292 4.819 4.527 -0.000 0.000 0.358 282 F C -0.592 175.116 175.800 -0.152 0.000 1.115 282 F CA -0.157 57.808 58.000 -0.058 0.000 1.160 282 F CB 0.117 39.073 39.000 -0.073 0.000 1.123 282 F HN 0.213 nan 8.300 nan 0.000 0.508 283 Y N 8.013 127.934 120.300 -0.631 0.000 2.345 283 Y HA 0.290 4.840 4.550 -0.000 0.000 0.331 283 Y C -1.677 173.798 175.900 -0.708 0.000 0.959 283 Y CA -1.955 55.878 58.100 -0.445 0.000 1.204 283 Y CB 1.257 39.578 38.460 -0.231 0.000 1.135 283 Y HN 0.496 nan 8.280 nan 0.000 0.477 284 P HA -0.296 nan 4.420 nan 0.000 0.218 284 P C 1.423 178.625 177.300 -0.163 0.000 1.154 284 P CA 2.060 65.034 63.100 -0.211 0.000 0.872 284 P CB 0.347 32.047 31.700 -0.001 0.000 0.790 285 E N 0.262 120.412 120.200 -0.083 0.000 2.153 285 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 285 E C 1.907 178.506 176.600 -0.001 0.000 0.988 285 E CA 1.244 57.620 56.400 -0.040 0.000 0.811 285 E CB -0.757 28.991 29.700 0.079 0.000 0.746 285 E HN 0.282 nan 8.360 nan 0.000 0.466 286 R N 0.069 120.537 120.500 -0.053 0.000 2.073 286 R HA -0.022 4.318 4.340 -0.000 0.000 0.229 286 R C 2.561 178.815 176.300 -0.076 0.000 1.120 286 R CA 1.163 57.225 56.100 -0.064 0.000 0.967 286 R CB -0.378 29.857 30.300 -0.108 0.000 0.862 286 R HN 0.153 nan 8.270 nan 0.000 0.436 287 L N 0.811 121.944 121.223 -0.150 0.000 2.109 287 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 287 L C 2.172 179.019 176.870 -0.038 0.000 1.086 287 L CA 1.619 56.391 54.840 -0.112 0.000 0.760 287 L CB -0.652 41.350 42.059 -0.094 0.000 0.910 287 L HN 0.105 nan 8.230 nan 0.000 0.437 288 A N -0.320 122.473 122.820 -0.045 0.000 1.883 288 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 288 A C 2.344 179.991 177.584 0.104 0.000 1.186 288 A CA 1.681 53.688 52.037 -0.050 0.000 0.624 288 A CB -1.593 17.195 19.000 -0.353 0.000 0.822 288 A HN 0.510 nan 8.150 nan 0.000 0.444 289 G N -0.902 108.028 108.800 0.217 0.000 2.418 289 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 289 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 289 G C 1.741 176.704 174.900 0.104 0.000 1.158 289 G CA 1.039 46.296 45.100 0.261 0.000 0.771 289 G HN 0.562 nan 8.290 nan 0.000 0.545 290 R N -0.069 120.451 120.500 0.034 0.000 2.092 290 R HA 0.079 4.419 4.340 -0.000 0.000 0.231 290 R C 2.489 178.778 176.300 -0.018 0.000 1.119 290 R CA 0.930 57.019 56.100 -0.019 0.000 0.970 290 R CB -0.300 29.951 30.300 -0.081 0.000 0.864 290 R HN 0.417 nan 8.270 nan 0.000 0.440 291 I N 0.632 121.204 120.570 0.003 0.000 2.361 291 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 291 I C 1.437 177.603 176.117 0.081 0.000 1.133 291 I CA 1.077 62.406 61.300 0.049 0.000 1.413 291 I CB 0.042 38.120 38.000 0.130 0.000 1.073 291 I HN 0.200 nan 8.210 nan 0.000 0.424 292 L N 0.144 121.427 121.223 0.100 0.000 2.627 292 L HA 0.244 4.584 4.340 -0.000 0.000 0.232 292 L C 1.401 178.309 176.870 0.063 0.000 1.150 292 L CA 0.517 55.417 54.840 0.100 0.000 0.917 292 L CB -0.168 41.978 42.059 0.145 0.000 1.104 292 L HN 0.470 nan 8.230 nan 0.000 0.445 293 G N -0.363 108.462 108.800 0.043 0.000 2.184 293 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.206 293 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.206 293 G C 0.283 175.189 174.900 0.010 0.000 0.995 293 G CA -0.365 44.748 45.100 0.023 0.000 0.651 293 G HN 0.207 nan 8.290 nan 0.000 0.511 294 M N 1.607 121.215 119.600 0.013 0.000 2.307 294 M HA 0.455 4.935 4.480 -0.000 0.000 0.346 294 M C 1.037 177.331 176.300 -0.009 0.000 1.552 294 M CA 1.943 57.243 55.300 0.000 0.000 1.116 294 M CB 0.047 32.649 32.600 0.004 0.000 1.889 294 M HN 1.683 nan 8.290 nan 0.000 0.460 295 G N 0.000 108.792 108.800 -0.013 0.000 5.446 295 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 295 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 295 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 295 G HN 0.000 nan 8.290 nan 0.000 0.925