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 1zn7_1_A DATA FIRST_RESID 3 DATA SEQUENCE DSELQLVEQR IRSFPDFPTP GVVFRDISPV LKDPASFRAA IGLLARHLKA DATA SEQUENCE THGGRIDYIA GLDSRGFLFG PSLAQELGLG CVLIRKRGKL PGPTLWASYS DATA SEQUENCE LEYGKAELEI QKDALEPGQR VVVVDDLLAT GGTMNAACEL LGRLQAEVLE DATA SEQUENCE CVSLVELTSL KGREKLAPVP FFSLLQYE 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.301 176.300 0.001 0.000 2.045 3 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 3 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 4 S N 3.077 118.780 115.700 0.005 0.000 2.359 4 S HA -0.198 4.273 4.470 0.002 0.000 0.224 4 S C 1.502 176.110 174.600 0.013 0.000 1.035 4 S CA 2.075 60.280 58.200 0.009 0.000 1.018 4 S CB -0.060 63.146 63.200 0.010 0.000 0.876 4 S HN 0.565 nan 8.310 nan 0.000 0.448 5 E N -0.201 120.007 120.200 0.013 0.000 2.051 5 E HA -0.148 4.203 4.350 0.002 0.000 0.192 5 E C 2.129 178.737 176.600 0.014 0.000 0.991 5 E CA 1.351 57.761 56.400 0.016 0.000 0.799 5 E CB -0.269 29.441 29.700 0.016 0.000 0.748 5 E HN 0.477 nan 8.360 nan 0.000 0.449 6 L N 1.420 122.647 121.223 0.007 0.000 2.042 6 L HA -0.242 4.099 4.340 0.002 0.000 0.210 6 L C 2.171 179.041 176.870 0.000 0.000 1.076 6 L CA 1.803 56.642 54.840 -0.003 0.000 0.749 6 L CB -0.393 41.657 42.059 -0.015 0.000 0.893 6 L HN 0.142 nan 8.230 nan 0.000 0.432 7 Q N -1.331 118.471 119.800 0.004 0.000 2.170 7 Q HA -0.206 4.135 4.340 0.002 0.000 0.203 7 Q C 2.140 178.154 176.000 0.023 0.000 0.976 7 Q CA 1.208 57.016 55.803 0.009 0.000 0.858 7 Q CB -0.213 28.530 28.738 0.008 0.000 0.907 7 Q HN 0.365 nan 8.270 nan 0.000 0.433 8 L N -0.343 120.897 121.223 0.028 0.000 2.127 8 L HA -0.188 4.153 4.340 0.002 0.000 0.211 8 L C 2.066 178.969 176.870 0.054 0.000 1.089 8 L CA 1.405 56.270 54.840 0.041 0.000 0.757 8 L CB -0.573 41.512 42.059 0.043 0.000 0.899 8 L HN 0.073 nan 8.230 nan 0.000 0.434 9 V N -1.426 118.516 119.914 0.046 0.000 2.331 9 V HA -0.174 3.947 4.120 0.002 0.000 0.242 9 V C 2.375 178.507 176.094 0.063 0.000 1.034 9 V CA 1.340 63.674 62.300 0.057 0.000 1.027 9 V CB -0.513 31.327 31.823 0.029 0.000 0.667 9 V HN 0.446 nan 8.190 nan 0.000 0.457 10 E N 0.267 120.494 120.200 0.045 0.000 2.097 10 E HA -0.316 4.036 4.350 0.002 0.000 0.196 10 E C 2.214 178.857 176.600 0.073 0.000 1.000 10 E CA 1.726 58.162 56.400 0.059 0.000 0.804 10 E CB -0.079 29.632 29.700 0.019 0.000 0.740 10 E HN 0.657 nan 8.360 nan 0.000 0.454 11 Q N -0.711 119.122 119.800 0.055 0.000 2.364 11 Q HA -0.048 4.293 4.340 0.002 0.000 0.207 11 Q C 1.283 177.319 176.000 0.059 0.000 0.970 11 Q CA 0.596 56.430 55.803 0.050 0.000 0.888 11 Q CB 0.266 29.029 28.738 0.041 0.000 0.951 11 Q HN 0.046 nan 8.270 nan 0.000 0.469 12 R N 0.085 120.631 120.500 0.075 0.000 2.468 12 R HA 0.199 4.541 4.340 0.002 0.000 0.280 12 R C -0.248 176.114 176.300 0.103 0.000 0.963 12 R CA -0.026 56.127 56.100 0.089 0.000 1.083 12 R CB 0.730 31.094 30.300 0.106 0.000 1.200 12 R HN 0.120 nan 8.270 nan 0.000 0.541 13 I N 1.636 122.264 120.570 0.097 0.000 2.342 13 I HA 0.257 4.428 4.170 0.002 0.000 0.291 13 I C 0.584 176.728 176.117 0.045 0.000 1.010 13 I CA -0.363 60.989 61.300 0.086 0.000 1.308 13 I CB 0.898 38.958 38.000 0.100 0.000 1.400 13 I HN -0.245 nan 8.210 nan 0.000 0.488 14 R N 3.809 124.343 120.500 0.055 0.000 2.338 14 R HA 0.466 4.807 4.340 0.002 0.000 0.317 14 R C -0.664 175.604 176.300 -0.054 0.000 0.968 14 R CA -0.359 55.727 56.100 -0.022 0.000 0.849 14 R CB 1.638 31.970 30.300 0.054 0.000 1.128 14 R HN 0.596 nan 8.270 nan 0.000 0.448 15 S N 3.534 119.111 115.700 -0.205 0.000 2.462 15 S HA 0.473 4.945 4.470 0.002 0.000 0.294 15 S C -0.998 173.428 174.600 -0.290 0.000 1.144 15 S CA -0.385 57.732 58.200 -0.139 0.000 1.088 15 S CB 0.709 63.829 63.200 -0.134 0.000 1.009 15 S HN 0.354 nan 8.310 nan 0.000 0.484 16 F N 3.505 123.526 119.950 0.118 0.000 2.513 16 F HA 0.376 4.905 4.527 0.002 0.000 0.358 16 F C -2.434 173.458 175.800 0.153 0.000 1.118 16 F CA -2.228 55.838 58.000 0.111 0.000 1.037 16 F CB 1.363 40.411 39.000 0.081 0.000 1.276 16 F HN 0.304 nan 8.300 nan 0.000 0.446 17 P HA 0.087 nan 4.420 nan 0.000 0.268 17 P C -0.267 177.162 177.300 0.216 0.000 1.205 17 P CA 0.422 63.626 63.100 0.175 0.000 0.771 17 P CB 0.495 32.256 31.700 0.102 0.000 0.858 18 D N -0.760 119.749 120.400 0.182 0.000 2.981 18 D HA -0.224 4.418 4.640 0.002 0.000 0.223 18 D C -0.596 175.821 176.300 0.195 0.000 1.151 18 D CA 1.050 55.138 54.000 0.148 0.000 0.827 18 D CB -1.807 39.062 40.800 0.114 0.000 1.101 18 D HN 0.323 nan 8.370 nan 0.000 0.426 19 F N 0.621 120.627 119.950 0.094 0.000 2.507 19 F HA 0.453 4.981 4.527 0.002 0.000 0.325 19 F C -1.945 173.917 175.800 0.104 0.000 1.116 19 F CA -2.162 55.856 58.000 0.029 0.000 0.930 19 F CB 1.841 40.783 39.000 -0.097 0.000 1.146 19 F HN -0.334 nan 8.300 nan 0.000 0.447 20 P HA 0.066 nan 4.420 nan 0.000 0.249 20 P C -0.395 176.691 177.300 -0.356 0.000 1.229 20 P CA 0.533 62.991 63.100 -1.070 0.000 0.788 20 P CB 0.154 31.295 31.700 -0.932 0.000 1.072 21 T N -4.114 110.349 114.554 -0.153 0.000 2.906 21 T HA 0.559 4.910 4.350 0.002 0.000 0.295 21 T C -3.307 171.400 174.700 0.011 0.000 1.061 21 T CA -2.882 59.192 62.100 -0.042 0.000 1.000 21 T CB 1.622 70.485 68.868 -0.008 0.000 1.103 21 T HN -0.313 nan 8.240 nan 0.000 0.486 22 P HA 0.294 nan 4.420 nan 0.000 0.265 22 P C 1.222 178.546 177.300 0.041 0.000 1.187 22 P CA 1.441 64.567 63.100 0.042 0.000 0.766 22 P CB 0.146 31.869 31.700 0.038 0.000 0.820 23 G N 0.956 109.784 108.800 0.047 0.000 2.234 23 G HA2 -0.181 3.780 3.960 0.002 0.000 0.235 23 G HA3 -0.181 3.780 3.960 0.002 0.000 0.235 23 G C -0.016 174.910 174.900 0.043 0.000 0.997 23 G CA 0.139 45.263 45.100 0.040 0.000 0.623 23 G HN 0.776 nan 8.290 nan 0.000 0.514 24 V N -0.987 118.959 119.914 0.053 0.000 2.495 24 V HA 0.871 4.992 4.120 0.002 0.000 0.298 24 V C 0.167 176.324 176.094 0.105 0.000 1.031 24 V CA -1.142 61.193 62.300 0.058 0.000 0.871 24 V CB 2.119 33.966 31.823 0.040 0.000 0.988 24 V HN 0.602 nan 8.190 nan 0.000 0.432 25 V N 6.088 126.055 119.914 0.089 0.000 2.364 25 V HA 0.353 4.474 4.120 0.002 0.000 0.272 25 V C -0.101 176.082 176.094 0.148 0.000 1.036 25 V CA -0.246 62.125 62.300 0.118 0.000 0.880 25 V CB 0.967 32.813 31.823 0.040 0.000 0.991 25 V HN 0.858 nan 8.190 nan 0.000 0.460 26 F N 6.629 126.667 119.950 0.147 0.000 2.467 26 F HA 0.430 4.957 4.527 0.001 0.000 0.362 26 F C 0.799 176.675 175.800 0.126 0.000 1.090 26 F CA -0.322 57.788 58.000 0.182 0.000 1.202 26 F CB 0.418 39.635 39.000 0.362 0.000 1.113 26 F HN 0.362 nan 8.300 nan 0.000 0.541 27 R N 4.558 124.835 120.500 -0.372 0.000 2.215 27 R HA 0.169 4.510 4.340 0.002 0.000 0.337 27 R C -1.153 175.002 176.300 -0.242 0.000 1.010 27 R CA -0.671 55.261 56.100 -0.281 0.000 0.871 27 R CB 0.575 30.627 30.300 -0.414 0.000 1.134 27 R HN 0.572 nan 8.270 nan 0.000 0.477 28 D N 3.264 123.768 120.400 0.174 0.000 2.317 28 D HA 0.099 4.740 4.640 0.002 0.000 0.234 28 D C 1.049 177.482 176.300 0.221 0.000 1.112 28 D CA -0.701 53.521 54.000 0.371 0.000 0.840 28 D CB 0.983 42.151 40.800 0.615 0.000 1.078 28 D HN 0.396 nan 8.370 nan 0.000 0.486 29 I N 1.781 122.475 120.570 0.208 0.000 3.428 29 I HA 0.033 4.204 4.170 0.002 0.000 0.286 29 I C 1.898 178.159 176.117 0.239 0.000 1.287 29 I CA 0.310 61.748 61.300 0.230 0.000 1.396 29 I CB -1.357 36.836 38.000 0.321 0.000 1.062 29 I HN 0.309 nan 8.210 nan 0.000 0.471 30 S N 2.204 118.031 115.700 0.211 0.000 2.380 30 S HA -0.079 4.393 4.470 0.002 0.000 0.229 30 S C -0.160 174.524 174.600 0.139 0.000 1.043 30 S CA 1.473 59.767 58.200 0.156 0.000 1.038 30 S CB -2.225 61.050 63.200 0.125 0.000 0.872 30 S HN 0.389 nan 8.310 nan 0.000 0.456 31 P HA 0.104 nan 4.420 nan 0.000 0.223 31 P C 1.612 178.996 177.300 0.140 0.000 1.151 31 P CA 0.485 63.658 63.100 0.121 0.000 0.787 31 P CB -0.241 31.524 31.700 0.109 0.000 0.788 32 V N 0.074 120.100 119.914 0.187 0.000 2.295 32 V HA -0.211 3.910 4.120 0.002 0.000 0.246 32 V C 2.424 178.690 176.094 0.287 0.000 1.049 32 V CA 1.540 63.988 62.300 0.247 0.000 1.024 32 V CB -1.158 30.856 31.823 0.318 0.000 0.648 32 V HN 0.089 nan 8.190 nan 0.000 0.447 33 L N -0.091 121.270 121.223 0.230 0.000 2.141 33 L HA -0.127 4.214 4.340 0.002 0.000 0.209 33 L C 2.380 179.246 176.870 -0.007 0.000 1.094 33 L CA 1.870 56.750 54.840 0.066 0.000 0.763 33 L CB -1.037 40.998 42.059 -0.040 0.000 0.908 33 L HN 0.417 nan 8.230 nan 0.000 0.437 34 K N -0.396 120.030 120.400 0.044 0.000 2.296 34 K HA -0.109 4.212 4.320 0.002 0.000 0.200 34 K C 0.324 176.948 176.600 0.040 0.000 1.048 34 K CA 0.412 56.714 56.287 0.024 0.000 0.966 34 K CB 0.255 32.777 32.500 0.037 0.000 0.754 34 K HN 0.044 nan 8.250 nan 0.000 0.466 35 D N 0.611 121.058 120.400 0.079 0.000 2.427 35 D HA 0.111 4.752 4.640 0.002 0.000 0.226 35 D C -1.847 174.525 176.300 0.120 0.000 1.076 35 D CA -2.689 51.362 54.000 0.086 0.000 0.849 35 D CB 1.751 42.605 40.800 0.091 0.000 1.052 35 D HN -0.054 nan 8.370 nan 0.000 0.515 36 P HA -0.123 nan 4.420 nan 0.000 0.218 36 P C 1.041 178.436 177.300 0.157 0.000 1.149 36 P CA 0.829 64.003 63.100 0.124 0.000 0.817 36 P CB 0.258 32.001 31.700 0.071 0.000 0.785 37 A N -0.170 122.718 122.820 0.113 0.000 1.930 37 A HA -0.121 4.201 4.320 0.002 0.000 0.217 37 A C 2.630 180.281 177.584 0.113 0.000 1.175 37 A CA 1.927 54.024 52.037 0.099 0.000 0.627 37 A CB -1.487 17.555 19.000 0.070 0.000 0.815 37 A HN 0.247 nan 8.150 nan 0.000 0.443 38 S N -1.523 114.257 115.700 0.133 0.000 2.355 38 S HA -0.133 4.339 4.470 0.002 0.000 0.222 38 S C 1.751 176.459 174.600 0.180 0.000 1.031 38 S CA 1.486 59.769 58.200 0.139 0.000 0.993 38 S CB -0.499 62.789 63.200 0.147 0.000 0.859 38 S HN 0.559 nan 8.310 nan 0.000 0.453 39 F N 2.802 122.813 119.950 0.102 0.000 2.095 39 F HA -0.036 4.492 4.527 0.001 0.000 0.298 39 F C 2.479 178.352 175.800 0.121 0.000 1.104 39 F CA 2.091 60.170 58.000 0.132 0.000 1.232 39 F CB -0.525 38.528 39.000 0.090 0.000 0.987 39 F HN 0.139 nan 8.300 nan 0.000 0.475 40 R N 0.408 121.010 120.500 0.169 0.000 2.091 40 R HA -0.185 4.157 4.340 0.002 0.000 0.238 40 R C 2.278 178.573 176.300 -0.009 0.000 1.136 40 R CA 1.431 57.571 56.100 0.067 0.000 0.959 40 R CB -0.680 29.692 30.300 0.119 0.000 0.856 40 R HN 0.388 nan 8.270 nan 0.000 0.437 41 A N 0.699 123.530 122.820 0.018 0.000 1.902 41 A HA -0.085 4.236 4.320 0.002 0.000 0.217 41 A C 2.372 179.942 177.584 -0.024 0.000 1.181 41 A CA 1.647 53.688 52.037 0.008 0.000 0.623 41 A CB -0.757 18.260 19.000 0.029 0.000 0.818 41 A HN 0.559 nan 8.150 nan 0.000 0.443 42 A N 0.061 122.849 122.820 -0.054 0.000 1.877 42 A HA -0.048 4.273 4.320 0.002 0.000 0.216 42 A C 2.007 179.523 177.584 -0.113 0.000 1.186 42 A CA 1.624 53.612 52.037 -0.081 0.000 0.620 42 A CB -0.509 18.448 19.000 -0.072 0.000 0.822 42 A HN 0.395 nan 8.150 nan 0.000 0.443 43 I N 0.186 120.633 120.570 -0.206 0.000 2.163 43 I HA -0.201 3.970 4.170 0.002 0.000 0.243 43 I C 2.702 178.785 176.117 -0.057 0.000 1.085 43 I CA 1.580 62.789 61.300 -0.151 0.000 1.347 43 I CB -2.069 35.791 38.000 -0.233 0.000 1.044 43 I HN 0.352 nan 8.210 nan 0.000 0.408 44 G N 1.012 109.785 108.800 -0.044 0.000 2.418 44 G HA2 -0.195 3.766 3.960 0.002 0.000 0.217 44 G HA3 -0.195 3.766 3.960 0.002 0.000 0.217 44 G C 1.863 176.762 174.900 -0.002 0.000 1.158 44 G CA 0.474 45.565 45.100 -0.014 0.000 0.771 44 G HN 0.329 nan 8.290 nan 0.000 0.545 45 L N -0.192 121.036 121.223 0.007 0.000 2.046 45 L HA -0.007 4.335 4.340 0.002 0.000 0.208 45 L C 2.905 179.811 176.870 0.061 0.000 1.077 45 L CA 0.539 55.403 54.840 0.041 0.000 0.747 45 L CB -0.364 41.728 42.059 0.055 0.000 0.896 45 L HN 0.184 nan 8.230 nan 0.000 0.432 46 L N -0.612 120.642 121.223 0.052 0.000 2.027 46 L HA -0.169 4.173 4.340 0.002 0.000 0.206 46 L C 2.859 179.741 176.870 0.021 0.000 1.074 46 L CA 1.195 56.073 54.840 0.064 0.000 0.745 46 L CB -0.690 41.396 42.059 0.045 0.000 0.898 46 L HN 0.223 nan 8.230 nan 0.000 0.433 47 A N -0.221 122.602 122.820 0.006 0.000 1.898 47 A HA -0.216 4.105 4.320 0.002 0.000 0.216 47 A C 2.420 179.984 177.584 -0.032 0.000 1.181 47 A CA 1.512 53.544 52.037 -0.008 0.000 0.620 47 A CB -0.535 18.462 19.000 -0.004 0.000 0.819 47 A HN 0.285 nan 8.150 nan 0.000 0.442 48 R N -1.243 119.240 120.500 -0.029 0.000 2.080 48 R HA -0.250 4.091 4.340 0.002 0.000 0.236 48 R C 2.236 178.477 176.300 -0.099 0.000 1.137 48 R CA 2.173 58.244 56.100 -0.049 0.000 0.943 48 R CB -0.532 29.754 30.300 -0.025 0.000 0.846 48 R HN 0.790 nan 8.270 nan 0.000 0.431 49 H N 0.215 119.143 119.070 -0.237 0.000 2.319 49 H HA -0.120 4.437 4.556 0.002 0.000 0.299 49 H C 1.969 177.097 175.328 -0.334 0.000 1.092 49 H CA 2.209 58.005 56.048 -0.421 0.000 1.302 49 H CB -0.276 28.916 29.762 -0.950 0.000 1.373 49 H HN 0.178 nan 8.280 nan 0.000 0.497 50 L N 0.113 121.161 121.223 -0.290 0.000 2.017 50 L HA -0.162 4.179 4.340 0.002 0.000 0.208 50 L C 2.619 179.397 176.870 -0.153 0.000 1.073 50 L CA 1.673 56.402 54.840 -0.185 0.000 0.745 50 L CB -0.351 41.707 42.059 -0.003 0.000 0.894 50 L HN 0.299 nan 8.230 nan 0.000 0.432 51 K N -0.025 120.297 120.400 -0.130 0.000 2.057 51 K HA -0.127 4.194 4.320 0.002 0.000 0.207 51 K C 2.179 178.684 176.600 -0.158 0.000 1.049 51 K CA 1.313 57.537 56.287 -0.105 0.000 0.931 51 K CB -0.254 32.201 32.500 -0.076 0.000 0.714 51 K HN 0.277 nan 8.250 nan 0.000 0.440 52 A N 0.704 123.393 122.820 -0.218 0.000 2.019 52 A HA -0.114 4.207 4.320 0.002 0.000 0.219 52 A C 1.952 179.342 177.584 -0.322 0.000 1.164 52 A CA 1.774 53.671 52.037 -0.233 0.000 0.644 52 A CB -0.429 18.436 19.000 -0.225 0.000 0.805 52 A HN 0.243 nan 8.150 nan 0.000 0.449 53 T N -1.998 112.260 114.554 -0.493 0.000 3.023 53 T HA 0.103 4.455 4.350 0.002 0.000 0.249 53 T C 1.218 175.466 174.700 -0.753 0.000 1.050 53 T CA 0.838 62.531 62.100 -0.678 0.000 1.088 53 T CB -0.072 68.194 68.868 -1.003 0.000 0.946 53 T HN 0.647 nan 8.240 nan 0.000 0.480 54 H N -0.406 118.558 119.070 -0.178 0.000 3.233 54 H HA 0.380 4.938 4.556 0.003 0.000 0.263 54 H C 1.793 177.064 175.328 -0.094 0.000 1.168 54 H CA 0.279 56.257 56.048 -0.117 0.000 1.159 54 H CB 0.394 30.093 29.762 -0.105 0.000 1.593 54 H HN 0.417 nan 8.280 nan 0.000 0.580 55 G N 1.260 110.039 108.800 -0.035 0.000 2.685 55 G HA2 -0.405 3.556 3.960 0.002 0.000 0.329 55 G HA3 -0.405 3.556 3.960 0.002 0.000 0.329 55 G C 1.328 176.219 174.900 -0.015 0.000 1.271 55 G CA 0.595 45.674 45.100 -0.034 0.000 1.003 55 G HN 0.533 nan 8.290 nan 0.000 0.549 56 G N -0.302 108.487 108.800 -0.018 0.000 3.233 56 G HA2 0.352 4.313 3.960 0.002 0.000 0.227 56 G HA3 0.352 4.313 3.960 0.002 0.000 0.227 56 G C 1.376 176.259 174.900 -0.028 0.000 1.175 56 G CA 0.842 45.926 45.100 -0.026 0.000 0.781 56 G HN 0.578 nan 8.290 nan 0.000 0.542 57 R N -0.191 120.305 120.500 -0.008 0.000 2.299 57 R HA 0.158 4.499 4.340 0.002 0.000 0.197 57 R C 0.239 176.507 176.300 -0.054 0.000 0.971 57 R CA 0.041 56.131 56.100 -0.018 0.000 1.030 57 R CB 0.118 30.426 30.300 0.013 0.000 0.932 57 R HN 0.359 nan 8.270 nan 0.000 0.477 58 I N 1.852 122.380 120.570 -0.069 0.000 2.396 58 I HA -0.037 4.135 4.170 0.002 0.000 0.289 58 I C 0.838 176.874 176.117 -0.134 0.000 1.056 58 I CA -0.000 61.237 61.300 -0.104 0.000 1.365 58 I CB 0.963 38.902 38.000 -0.102 0.000 1.407 58 I HN -0.084 nan 8.210 nan 0.000 0.509 59 D N 5.130 125.440 120.400 -0.150 0.000 2.162 59 D HA -0.013 4.628 4.640 0.002 0.000 0.205 59 D C -0.275 175.640 176.300 -0.641 0.000 0.964 59 D CA 1.660 55.454 54.000 -0.343 0.000 0.847 59 D CB 0.245 40.907 40.800 -0.231 0.000 0.988 59 D HN 0.391 nan 8.370 nan 0.000 0.480 60 Y N -0.422 119.869 120.300 -0.016 0.000 2.534 60 Y HA 0.299 4.850 4.550 0.002 0.000 0.345 60 Y C -0.095 175.804 175.900 -0.002 0.000 1.031 60 Y CA -1.156 56.941 58.100 -0.004 0.000 1.022 60 Y CB 1.889 40.349 38.460 0.002 0.000 1.292 60 Y HN -0.287 nan 8.280 nan 0.000 0.459 61 I N 2.350 123.030 120.570 0.184 0.000 2.472 61 I HA 0.487 4.658 4.170 0.002 0.000 0.290 61 I C 0.173 176.380 176.117 0.149 0.000 1.016 61 I CA -0.536 60.846 61.300 0.136 0.000 1.348 61 I CB 0.980 39.049 38.000 0.116 0.000 1.417 61 I HN 0.716 nan 8.210 nan 0.000 0.521 62 A N 4.916 127.810 122.820 0.124 0.000 2.287 62 A HA 0.714 5.035 4.320 0.002 0.000 0.317 62 A C 0.247 177.924 177.584 0.154 0.000 1.220 62 A CA -0.478 51.630 52.037 0.117 0.000 0.835 62 A CB 0.853 19.908 19.000 0.093 0.000 1.180 62 A HN 0.855 nan 8.150 nan 0.000 0.500 63 G N 1.788 110.706 108.800 0.197 0.000 2.332 63 G HA2 0.536 4.497 3.960 0.002 0.000 0.310 63 G HA3 0.536 4.497 3.960 0.002 0.000 0.310 63 G C -0.393 174.738 174.900 0.386 0.000 1.123 63 G CA -0.541 44.743 45.100 0.306 0.000 0.873 63 G HN 0.694 nan 8.290 nan 0.000 0.460 64 L N 2.460 123.840 121.223 0.261 0.000 2.265 64 L HA 0.206 4.547 4.340 0.002 0.000 0.288 64 L C 0.087 176.828 176.870 -0.215 0.000 1.058 64 L CA -1.021 53.877 54.840 0.097 0.000 0.809 64 L CB 1.303 43.385 42.059 0.037 0.000 1.179 64 L HN 0.423 nan 8.230 nan 0.000 0.429 65 D N 1.768 121.851 120.400 -0.528 0.000 2.487 65 D HA -0.014 4.628 4.640 0.002 0.000 0.243 65 D C 0.662 176.692 176.300 -0.449 0.000 1.154 65 D CA 0.378 53.746 54.000 -1.053 0.000 0.876 65 D CB 1.187 41.645 40.800 -0.570 0.000 1.161 65 D HN 0.515 nan 8.370 nan 0.000 0.478 66 S N 3.848 119.324 115.700 -0.374 0.000 2.506 66 S HA 0.063 4.534 4.470 0.002 0.000 0.230 66 S C 1.779 176.222 174.600 -0.260 0.000 1.066 66 S CA -0.127 57.768 58.200 -0.508 0.000 0.940 66 S CB 0.192 63.272 63.200 -0.199 0.000 0.818 66 S HN 0.481 nan 8.310 nan 0.000 0.518 67 R N 1.248 121.719 120.500 -0.048 0.000 2.152 67 R HA -0.001 4.340 4.340 0.002 0.000 0.232 67 R C 2.423 178.871 176.300 0.248 0.000 1.117 67 R CA 1.055 57.225 56.100 0.117 0.000 0.981 67 R CB -0.594 29.809 30.300 0.172 0.000 0.870 67 R HN 0.474 nan 8.270 nan 0.000 0.451 68 G N 0.530 109.447 108.800 0.195 0.000 2.462 68 G HA2 -0.232 3.729 3.960 0.002 0.000 0.220 68 G HA3 -0.232 3.729 3.960 0.002 0.000 0.220 68 G C 1.006 176.167 174.900 0.435 0.000 1.121 68 G CA 0.350 45.644 45.100 0.324 0.000 0.758 68 G HN 0.170 nan 8.290 nan 0.000 0.559 69 F N 0.830 120.862 119.950 0.136 0.000 2.269 69 F HA 0.079 4.610 4.527 0.007 0.000 0.301 69 F C 2.517 178.337 175.800 0.033 0.000 1.082 69 F CA -0.007 58.043 58.000 0.083 0.000 1.360 69 F CB -0.659 38.372 39.000 0.053 0.000 1.041 69 F HN 0.096 nan 8.300 nan 0.000 0.512 70 L N -2.189 119.131 121.223 0.163 0.000 2.291 70 L HA -0.171 4.171 4.340 0.002 0.000 0.214 70 L C 1.891 178.579 176.870 -0.304 0.000 1.120 70 L CA 1.023 55.763 54.840 -0.167 0.000 0.799 70 L CB -0.509 41.315 42.059 -0.392 0.000 0.925 70 L HN 0.013 nan 8.230 nan 0.000 0.446 71 F N -1.571 118.550 119.950 0.285 0.000 2.553 71 F HA 0.231 4.759 4.527 0.002 0.000 0.282 71 F C 2.437 178.343 175.800 0.176 0.000 1.089 71 F CA 0.418 58.559 58.000 0.234 0.000 1.411 71 F CB -0.992 38.096 39.000 0.147 0.000 1.125 71 F HN -0.103 nan 8.300 nan 0.000 0.610 72 G N 2.029 111.025 108.800 0.326 0.000 2.586 72 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 72 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 72 G C -0.742 174.253 174.900 0.159 0.000 1.216 72 G CA 1.238 46.473 45.100 0.225 0.000 0.786 72 G HN 0.200 nan 8.290 nan 0.000 0.583 73 P HA -0.029 nan 4.420 nan 0.000 0.215 73 P C 2.311 179.678 177.300 0.112 0.000 1.157 73 P CA 1.810 64.962 63.100 0.087 0.000 0.868 73 P CB -0.131 31.595 31.700 0.042 0.000 0.788 74 S N -0.630 115.169 115.700 0.165 0.000 2.368 74 S HA -0.133 4.338 4.470 0.002 0.000 0.225 74 S C 1.773 176.446 174.600 0.122 0.000 1.030 74 S CA 0.955 59.266 58.200 0.185 0.000 0.999 74 S CB -1.147 62.265 63.200 0.354 0.000 0.844 74 S HN 0.044 nan 8.310 nan 0.000 0.459 75 L N 1.973 123.271 121.223 0.125 0.000 2.017 75 L HA 0.014 4.356 4.340 0.002 0.000 0.208 75 L C 2.362 179.275 176.870 0.071 0.000 1.073 75 L CA 1.914 56.807 54.840 0.088 0.000 0.745 75 L CB -1.195 40.930 42.059 0.110 0.000 0.894 75 L HN 0.237 nan 8.230 nan 0.000 0.432 76 A N -1.144 121.725 122.820 0.083 0.000 1.865 76 A HA -0.255 4.067 4.320 0.002 0.000 0.217 76 A C 2.177 179.789 177.584 0.047 0.000 1.191 76 A CA 1.785 53.861 52.037 0.065 0.000 0.623 76 A CB -0.669 18.381 19.000 0.083 0.000 0.826 76 A HN 0.601 nan 8.150 nan 0.000 0.444 77 Q N -0.808 119.025 119.800 0.056 0.000 2.077 77 Q HA -0.243 4.098 4.340 0.002 0.000 0.206 77 Q C 2.029 178.050 176.000 0.036 0.000 0.989 77 Q CA 2.008 57.838 55.803 0.046 0.000 0.853 77 Q CB -0.437 28.335 28.738 0.057 0.000 0.907 77 Q HN 0.789 nan 8.270 nan 0.000 0.418 78 E N 0.658 120.882 120.200 0.040 0.000 2.160 78 E HA -0.112 4.239 4.350 0.002 0.000 0.195 78 E C 1.699 178.306 176.600 0.012 0.000 0.991 78 E CA 0.876 57.292 56.400 0.026 0.000 0.810 78 E CB -0.179 29.536 29.700 0.025 0.000 0.742 78 E HN 0.315 nan 8.360 nan 0.000 0.466 79 L N -1.244 119.986 121.223 0.010 0.000 2.592 79 L HA 0.248 4.589 4.340 0.002 0.000 0.227 79 L C 1.283 178.144 176.870 -0.016 0.000 1.127 79 L CA 0.304 55.141 54.840 -0.005 0.000 0.884 79 L CB -0.036 42.020 42.059 -0.005 0.000 1.065 79 L HN 0.392 nan 8.230 nan 0.000 0.457 80 G N 0.909 109.705 108.800 -0.008 0.000 2.176 80 G HA2 -0.263 3.699 3.960 0.002 0.000 0.252 80 G HA3 -0.263 3.699 3.960 0.002 0.000 0.252 80 G C -0.048 174.834 174.900 -0.031 0.000 1.024 80 G CA 0.105 45.196 45.100 -0.016 0.000 0.755 80 G HN 0.251 nan 8.290 nan 0.000 0.507 81 L N -0.511 120.698 121.223 -0.024 0.000 2.319 81 L HA 0.796 5.137 4.340 0.002 0.000 0.267 81 L C 1.205 178.090 176.870 0.025 0.000 1.011 81 L CA -0.831 53.979 54.840 -0.050 0.000 0.818 81 L CB 1.724 43.742 42.059 -0.069 0.000 1.316 81 L HN 0.186 nan 8.230 nan 0.000 0.432 82 G N -0.485 108.359 108.800 0.073 0.000 2.572 82 G HA2 0.331 4.293 3.960 0.002 0.000 0.261 82 G HA3 0.331 4.293 3.960 0.002 0.000 0.261 82 G C -1.025 174.044 174.900 0.281 0.000 1.197 82 G CA -0.204 45.029 45.100 0.221 0.000 0.870 82 G HN 0.621 nan 8.290 nan 0.000 0.548 83 C N 1.782 121.190 119.300 0.179 0.000 2.340 83 C HA 0.677 5.138 4.460 0.002 0.000 0.323 83 C C 0.328 175.342 174.990 0.041 0.000 1.260 83 C CA -0.610 58.480 59.018 0.121 0.000 1.464 83 C CB -0.238 27.545 27.740 0.071 0.000 2.156 83 C HN 0.805 nan 8.230 nan 0.000 0.476 84 V N 5.508 125.433 119.914 0.018 0.000 2.837 84 V HA 0.678 4.799 4.120 0.002 0.000 0.310 84 V C -0.442 175.653 176.094 0.001 0.000 1.059 84 V CA -0.666 61.599 62.300 -0.057 0.000 1.004 84 V CB 1.467 33.203 31.823 -0.145 0.000 1.045 84 V HN 0.790 nan 8.190 nan 0.000 0.465 85 L N 3.448 124.667 121.223 -0.006 0.000 2.296 85 L HA 0.595 4.937 4.340 0.002 0.000 0.286 85 L C -0.530 176.426 176.870 0.144 0.000 1.023 85 L CA -0.379 54.507 54.840 0.076 0.000 0.812 85 L CB 1.525 43.578 42.059 -0.012 0.000 1.223 85 L HN 0.550 nan 8.230 nan 0.000 0.421 86 I N 3.895 124.607 120.570 0.237 0.000 2.355 86 I HA 0.420 4.591 4.170 0.002 0.000 0.288 86 I C -0.029 176.221 176.117 0.221 0.000 0.999 86 I CA -0.462 60.947 61.300 0.183 0.000 1.163 86 I CB 1.236 39.308 38.000 0.120 0.000 1.316 86 I HN 0.585 nan 8.210 nan 0.000 0.454 87 R N 4.866 125.479 120.500 0.189 0.000 2.828 87 R HA 0.523 4.864 4.340 0.002 0.000 0.264 87 R C -0.542 175.825 176.300 0.112 0.000 1.022 87 R CA -1.196 55.006 56.100 0.171 0.000 1.021 87 R CB 1.891 32.314 30.300 0.205 0.000 1.163 87 R HN 0.463 nan 8.270 nan 0.000 0.494 88 K N 1.880 122.324 120.400 0.072 0.000 2.448 88 K HA 0.019 4.341 4.320 0.002 0.000 0.278 88 K C 0.414 177.052 176.600 0.064 0.000 1.009 88 K CA 0.079 56.411 56.287 0.075 0.000 0.995 88 K CB 0.611 33.136 32.500 0.041 0.000 0.917 88 K HN 0.347 nan 8.250 nan 0.000 0.481 89 R N 0.821 121.351 120.500 0.050 0.000 2.585 89 R HA -0.050 4.291 4.340 0.002 0.000 0.275 89 R C 0.709 176.984 176.300 -0.043 0.000 1.018 89 R CA 1.513 57.609 56.100 -0.007 0.000 1.072 89 R CB -0.017 30.224 30.300 -0.098 0.000 0.953 89 R HN 0.919 nan 8.270 nan 0.000 0.419 90 G N 3.087 111.859 108.800 -0.047 0.000 2.184 90 G HA2 -0.190 3.771 3.960 0.002 0.000 0.206 90 G HA3 -0.190 3.771 3.960 0.002 0.000 0.206 90 G C 0.537 175.432 174.900 -0.008 0.000 0.995 90 G CA 0.163 45.232 45.100 -0.052 0.000 0.651 90 G HN 0.617 nan 8.290 nan 0.000 0.511 91 K N -0.538 119.876 120.400 0.023 0.000 2.370 91 K HA 0.356 4.678 4.320 0.002 0.000 0.194 91 K C 0.993 177.624 176.600 0.051 0.000 1.070 91 K CA -0.036 56.277 56.287 0.043 0.000 0.998 91 K CB 0.713 33.256 32.500 0.071 0.000 0.911 91 K HN 0.375 nan 8.250 nan 0.000 0.533 92 L N 4.500 125.757 121.223 0.057 0.000 2.292 92 L HA 0.232 4.573 4.340 0.002 0.000 0.284 92 L C -1.860 175.038 176.870 0.046 0.000 1.065 92 L CA -1.773 53.102 54.840 0.058 0.000 0.806 92 L CB 0.897 43.002 42.059 0.076 0.000 1.175 92 L HN -0.005 nan 8.230 nan 0.000 0.431 93 P HA 0.411 nan 4.420 nan 0.000 0.277 93 P C -0.047 177.275 177.300 0.037 0.000 1.271 93 P CA 0.059 63.178 63.100 0.031 0.000 0.795 93 P CB 1.182 32.895 31.700 0.022 0.000 1.101 94 G N 0.178 109.000 108.800 0.036 0.000 2.795 94 G HA2 -0.093 3.868 3.960 0.002 0.000 0.664 94 G HA3 -0.093 3.868 3.960 0.002 0.000 0.664 94 G C -2.968 171.964 174.900 0.055 0.000 1.381 94 G CA -0.926 44.196 45.100 0.037 0.000 0.853 94 G HN 0.546 nan 8.290 nan 0.000 0.545 95 P HA 0.446 nan 4.420 nan 0.000 0.271 95 P C 0.361 177.708 177.300 0.078 0.000 1.216 95 P CA 0.720 63.860 63.100 0.065 0.000 0.771 95 P CB 1.041 32.765 31.700 0.040 0.000 0.864 96 T N 0.213 114.842 114.554 0.125 0.000 2.883 96 T HA 0.792 5.143 4.350 0.002 0.000 0.296 96 T C -0.566 174.209 174.700 0.124 0.000 1.117 96 T CA -0.958 61.234 62.100 0.153 0.000 1.006 96 T CB 0.892 69.904 68.868 0.240 0.000 1.191 96 T HN 0.323 nan 8.240 nan 0.000 0.508 97 L N -1.057 120.217 121.223 0.085 0.000 2.333 97 L HA 1.087 5.428 4.340 0.002 0.000 0.263 97 L C -1.424 175.522 176.870 0.127 0.000 1.014 97 L CA -1.314 53.477 54.840 -0.081 0.000 0.820 97 L CB 1.812 43.786 42.059 -0.141 0.000 1.352 97 L HN 1.023 nan 8.230 nan 0.000 0.421 98 W N 0.666 121.987 121.300 0.035 0.000 3.083 98 W HA 0.933 5.592 4.660 -0.001 0.000 0.333 98 W C -1.636 174.916 176.519 0.055 0.000 1.217 98 W CA -1.096 56.278 57.345 0.048 0.000 1.170 98 W CB 1.415 30.904 29.460 0.048 0.000 1.437 98 W HN 0.760 nan 8.180 nan 0.000 0.557 99 A N 2.094 125.114 122.820 0.334 0.000 2.437 99 A HA 0.705 5.026 4.320 0.002 0.000 0.293 99 A C -0.542 177.237 177.584 0.326 0.000 1.038 99 A CA -0.536 51.641 52.037 0.232 0.000 0.708 99 A CB 0.976 20.058 19.000 0.137 0.000 1.251 99 A HN 1.103 nan 8.150 nan 0.000 0.409 100 S N 1.244 117.108 115.700 0.272 0.000 2.610 100 S HA 0.877 5.348 4.470 0.002 0.000 0.273 100 S C -0.363 174.404 174.600 0.279 0.000 1.274 100 S CA -0.214 58.118 58.200 0.221 0.000 1.023 100 S CB 0.740 64.013 63.200 0.121 0.000 0.962 100 S HN 1.717 nan 8.310 nan 0.000 0.523 101 Y N -1.615 118.711 120.300 0.043 0.000 2.689 101 Y HA 0.736 5.287 4.550 0.001 0.000 0.333 101 Y C -0.638 175.269 175.900 0.011 0.000 1.208 101 Y CA -1.233 56.880 58.100 0.022 0.000 1.055 101 Y CB 0.892 39.362 38.460 0.017 0.000 1.304 101 Y HN 0.694 nan 8.280 nan 0.000 0.455 102 S N 3.067 118.785 115.700 0.030 0.000 2.452 102 S HA 0.615 5.086 4.470 0.002 0.000 0.284 102 S C -1.350 173.225 174.600 -0.042 0.000 1.171 102 S CA -0.519 57.649 58.200 -0.053 0.000 1.064 102 S CB 0.267 63.464 63.200 -0.005 0.000 0.967 102 S HN 0.748 nan 8.310 nan 0.000 0.484 103 L N 4.182 125.318 121.223 -0.145 0.000 2.406 103 L HA 0.647 4.989 4.340 0.002 0.000 0.272 103 L C 0.669 177.483 176.870 -0.093 0.000 0.980 103 L CA 1.415 56.207 54.840 -0.080 0.000 0.831 103 L CB 0.234 42.222 42.059 -0.117 0.000 1.253 103 L HN 1.172 nan 8.230 nan 0.000 0.406 104 E N 4.187 124.320 120.200 -0.112 0.000 3.229 104 E HA -0.384 3.968 4.350 0.002 0.000 0.354 104 E C 0.116 176.553 176.600 -0.271 0.000 1.487 104 E CA 2.228 58.507 56.400 -0.202 0.000 1.617 104 E CB -1.785 27.873 29.700 -0.069 0.000 1.768 104 E HN 0.745 nan 8.360 nan 0.000 0.497 105 Y N 1.518 121.793 120.300 -0.043 0.000 2.482 105 Y HA 0.482 5.033 4.550 0.002 0.000 0.270 105 Y C 1.818 177.692 175.900 -0.043 0.000 1.152 105 Y CA 1.170 59.248 58.100 -0.038 0.000 1.292 105 Y CB 0.808 39.246 38.460 -0.036 0.000 1.070 105 Y HN 0.870 nan 8.280 nan 0.000 0.528 106 G N -0.589 108.244 108.800 0.055 0.000 3.166 106 G HA2 0.577 4.538 3.960 0.002 0.000 0.267 106 G HA3 0.577 4.538 3.960 0.002 0.000 0.267 106 G C -1.326 173.532 174.900 -0.070 0.000 1.256 106 G CA -0.495 44.606 45.100 0.001 0.000 0.859 106 G HN -0.044 nan 8.290 nan 0.000 0.590 107 K N -1.085 119.259 120.400 -0.094 0.000 2.182 107 K HA 0.911 5.232 4.320 0.002 0.000 0.262 107 K C -0.228 176.229 176.600 -0.239 0.000 0.957 107 K CA -0.177 56.013 56.287 -0.161 0.000 0.842 107 K CB 1.440 33.883 32.500 -0.095 0.000 1.099 107 K HN 1.781 nan 8.250 nan 0.000 0.438 108 A N 1.318 123.859 122.820 -0.466 0.000 2.386 108 A HA 0.850 5.172 4.320 0.002 0.000 0.308 108 A C -0.887 176.418 177.584 -0.466 0.000 1.128 108 A CA -0.580 51.156 52.037 -0.501 0.000 0.789 108 A CB 1.170 19.784 19.000 -0.644 0.000 1.325 108 A HN 0.748 nan 8.150 nan 0.000 0.437 109 E N 0.364 120.509 120.200 -0.093 0.000 2.275 109 E HA 0.506 4.857 4.350 0.002 0.000 0.270 109 E C -1.343 175.440 176.600 0.306 0.000 0.882 109 E CA -0.415 56.087 56.400 0.171 0.000 0.758 109 E CB 2.101 31.855 29.700 0.089 0.000 1.195 109 E HN 0.568 nan 8.360 nan 0.000 0.419 110 L N 1.834 123.294 121.223 0.395 0.000 2.375 110 L HA 0.563 4.904 4.340 0.002 0.000 0.268 110 L C 0.040 177.055 176.870 0.241 0.000 1.058 110 L CA -0.439 54.550 54.840 0.248 0.000 0.803 110 L CB 1.292 43.430 42.059 0.132 0.000 1.212 110 L HN 0.591 nan 8.230 nan 0.000 0.451 111 E N 1.437 121.754 120.200 0.194 0.000 2.366 111 E HA 0.593 4.944 4.350 0.002 0.000 0.278 111 E C -1.854 174.839 176.600 0.154 0.000 0.923 111 E CA -0.647 55.883 56.400 0.217 0.000 0.761 111 E CB 3.224 33.057 29.700 0.222 0.000 1.231 111 E HN 0.533 nan 8.360 nan 0.000 0.443 112 I N 2.225 122.877 120.570 0.136 0.000 2.722 112 I HA 0.244 4.416 4.170 0.002 0.000 0.295 112 I C -0.947 175.218 176.117 0.079 0.000 1.161 112 I CA -0.588 60.766 61.300 0.090 0.000 1.032 112 I CB 2.026 40.062 38.000 0.061 0.000 1.244 112 I HN 0.609 nan 8.210 nan 0.000 0.421 113 Q N 5.619 125.451 119.800 0.054 0.000 2.300 113 Q HA 0.092 4.433 4.340 0.002 0.000 0.280 113 Q C 0.671 176.682 176.000 0.018 0.000 1.033 113 Q CA 0.087 55.913 55.803 0.038 0.000 0.903 113 Q CB 0.991 29.740 28.738 0.019 0.000 1.195 113 Q HN 0.511 nan 8.270 nan 0.000 0.386 114 K N 1.697 122.109 120.400 0.020 0.000 2.173 114 K HA -0.205 4.117 4.320 0.002 0.000 0.207 114 K C 0.855 177.450 176.600 -0.008 0.000 1.046 114 K CA 1.659 57.948 56.287 0.002 0.000 0.929 114 K CB 0.042 32.543 32.500 0.002 0.000 0.720 114 K HN 0.682 nan 8.250 nan 0.000 0.453 115 D N -0.335 120.059 120.400 -0.010 0.000 2.336 115 D HA 0.062 4.704 4.640 0.002 0.000 0.228 115 D C 1.235 177.506 176.300 -0.047 0.000 1.120 115 D CA 0.221 54.208 54.000 -0.022 0.000 0.839 115 D CB 0.194 40.985 40.800 -0.015 0.000 0.932 115 D HN 0.051 nan 8.370 nan 0.000 0.509 116 A N 0.204 122.992 122.820 -0.054 0.000 1.933 116 A HA 0.131 4.452 4.320 0.002 0.000 0.218 116 A C 1.020 178.507 177.584 -0.161 0.000 1.175 116 A CA 0.763 52.740 52.037 -0.100 0.000 0.628 116 A CB -0.166 18.792 19.000 -0.071 0.000 0.814 116 A HN 0.363 nan 8.150 nan 0.000 0.444 117 L N -1.114 120.050 121.223 -0.100 0.000 2.393 117 L HA 0.430 4.771 4.340 0.002 0.000 0.260 117 L C -0.940 175.915 176.870 -0.025 0.000 1.002 117 L CA -1.013 53.779 54.840 -0.079 0.000 0.818 117 L CB 1.961 43.994 42.059 -0.043 0.000 1.369 117 L HN 0.016 nan 8.230 nan 0.000 0.412 118 E N 1.302 121.506 120.200 0.008 0.000 2.248 118 E HA 0.384 4.736 4.350 0.002 0.000 0.272 118 E C -2.408 174.206 176.600 0.023 0.000 1.008 118 E CA -2.101 54.309 56.400 0.018 0.000 0.856 118 E CB 0.972 30.691 29.700 0.032 0.000 1.120 118 E HN 0.189 nan 8.360 nan 0.000 0.397 119 P HA 0.010 nan 4.420 nan 0.000 0.262 119 P C 0.678 177.991 177.300 0.022 0.000 1.182 119 P CA 1.182 64.291 63.100 0.015 0.000 0.761 119 P CB 0.352 32.057 31.700 0.009 0.000 0.795 120 G N 1.633 110.446 108.800 0.022 0.000 2.225 120 G HA2 -0.263 3.698 3.960 0.002 0.000 0.254 120 G HA3 -0.263 3.698 3.960 0.002 0.000 0.254 120 G C 0.179 175.098 174.900 0.032 0.000 0.988 120 G CA -0.327 44.786 45.100 0.022 0.000 0.625 120 G HN 0.580 nan 8.290 nan 0.000 0.527 121 Q N 0.638 120.469 119.800 0.052 0.000 2.361 121 Q HA 0.398 4.739 4.340 0.002 0.000 0.276 121 Q C 0.470 176.512 176.000 0.070 0.000 1.022 121 Q CA 0.276 56.129 55.803 0.083 0.000 0.898 121 Q CB 0.463 29.296 28.738 0.158 0.000 1.246 121 Q HN 0.467 nan 8.270 nan 0.000 0.410 122 R N 1.355 121.887 120.500 0.054 0.000 2.338 122 R HA 0.538 4.879 4.340 0.002 0.000 0.317 122 R C -0.982 175.332 176.300 0.023 0.000 0.968 122 R CA -0.542 55.566 56.100 0.014 0.000 0.849 122 R CB 1.231 31.516 30.300 -0.025 0.000 1.128 122 R HN 0.293 nan 8.270 nan 0.000 0.448 123 V N 3.038 122.959 119.914 0.011 0.000 2.789 123 V HA 0.381 4.502 4.120 0.002 0.000 0.311 123 V C -0.375 175.709 176.094 -0.017 0.000 1.073 123 V CA -0.932 61.391 62.300 0.038 0.000 0.921 123 V CB 2.521 34.388 31.823 0.074 0.000 1.009 123 V HN 0.438 nan 8.190 nan 0.000 0.426 124 V N 4.209 124.120 119.914 -0.005 0.000 2.417 124 V HA 0.456 4.578 4.120 0.002 0.000 0.291 124 V C -0.191 175.936 176.094 0.055 0.000 1.024 124 V CA -0.601 61.696 62.300 -0.006 0.000 0.861 124 V CB 1.972 33.772 31.823 -0.039 0.000 0.985 124 V HN 0.631 nan 8.190 nan 0.000 0.436 125 V N 5.746 125.702 119.914 0.070 0.000 2.465 125 V HA 0.464 4.585 4.120 0.002 0.000 0.279 125 V C 0.003 176.164 176.094 0.111 0.000 1.045 125 V CA -0.389 61.967 62.300 0.094 0.000 0.938 125 V CB 1.678 33.553 31.823 0.087 0.000 0.986 125 V HN 0.601 nan 8.190 nan 0.000 0.467 126 V N 4.283 124.273 119.914 0.128 0.000 2.604 126 V HA 0.728 4.849 4.120 0.002 0.000 0.305 126 V C -1.078 175.109 176.094 0.154 0.000 1.043 126 V CA -0.125 62.257 62.300 0.136 0.000 0.888 126 V CB 2.010 33.923 31.823 0.151 0.000 0.995 126 V HN 1.018 nan 8.190 nan 0.000 0.429 127 D N 2.477 122.951 120.400 0.123 0.000 2.559 127 D HA 0.330 4.971 4.640 0.002 0.000 0.250 127 D C 0.335 176.666 176.300 0.051 0.000 1.135 127 D CA 0.049 54.121 54.000 0.121 0.000 0.955 127 D CB 2.389 43.238 40.800 0.082 0.000 1.442 127 D HN 0.668 nan 8.370 nan 0.000 0.471 128 D N 0.420 120.870 120.400 0.082 0.000 2.149 128 D HA -0.071 4.570 4.640 0.002 0.000 0.201 128 D C 0.556 176.820 176.300 -0.060 0.000 0.972 128 D CA 0.623 54.605 54.000 -0.030 0.000 0.835 128 D CB 0.695 41.609 40.800 0.191 0.000 0.966 128 D HN 0.159 nan 8.370 nan 0.000 0.476 129 L N 0.163 121.384 121.223 -0.005 0.000 2.493 129 L HA 0.427 4.768 4.340 0.002 0.000 0.265 129 L C -2.047 174.819 176.870 -0.007 0.000 0.954 129 L CA -0.886 53.944 54.840 -0.017 0.000 0.844 129 L CB 2.102 44.120 42.059 -0.068 0.000 1.302 129 L HN 0.005 nan 8.230 nan 0.000 0.405 130 L N 4.799 126.019 121.223 -0.004 0.000 2.272 130 L HA 0.746 5.087 4.340 0.002 0.000 0.289 130 L C 0.202 177.003 176.870 -0.114 0.000 1.032 130 L CA 0.404 55.183 54.840 -0.102 0.000 0.810 130 L CB 1.370 43.256 42.059 -0.289 0.000 1.205 130 L HN 0.863 nan 8.230 nan 0.000 0.422 131 A N 2.473 125.229 122.820 -0.107 0.000 2.523 131 A HA 0.243 4.564 4.320 0.002 0.000 0.212 131 A C 1.495 179.021 177.584 -0.096 0.000 2.213 131 A CA 0.684 52.670 52.037 -0.085 0.000 1.683 131 A CB -0.496 18.468 19.000 -0.061 0.000 1.169 131 A HN 0.708 nan 8.150 nan 0.000 0.397 132 T N -2.845 111.666 114.554 -0.072 0.000 2.962 132 T HA 0.301 4.652 4.350 0.002 0.000 0.270 132 T C 1.499 176.145 174.700 -0.090 0.000 1.088 132 T CA 1.622 63.681 62.100 -0.068 0.000 1.127 132 T CB -0.360 68.485 68.868 -0.038 0.000 0.883 132 T HN 2.272 nan 8.240 nan 0.000 0.493 133 G N 0.114 108.847 108.800 -0.113 0.000 2.159 133 G HA2 -0.194 3.768 3.960 0.002 0.000 0.256 133 G HA3 -0.194 3.768 3.960 0.002 0.000 0.256 133 G C 1.086 175.927 174.900 -0.097 0.000 0.977 133 G CA 0.160 45.179 45.100 -0.135 0.000 0.652 133 G HN 0.952 nan 8.290 nan 0.000 0.531 134 G N -0.278 108.490 108.800 -0.054 0.000 2.418 134 G HA2 -0.002 3.959 3.960 0.002 0.000 0.217 134 G HA3 -0.002 3.959 3.960 0.002 0.000 0.217 134 G C 1.642 176.405 174.900 -0.227 0.000 1.158 134 G CA 2.367 47.457 45.100 -0.016 0.000 0.771 134 G HN 0.625 nan 8.290 nan 0.000 0.545 135 T N 0.820 115.182 114.554 -0.319 0.000 2.701 135 T HA -0.098 4.253 4.350 0.002 0.000 0.263 135 T C 2.336 176.831 174.700 -0.341 0.000 1.040 135 T CA 1.477 63.231 62.100 -0.576 0.000 1.147 135 T CB -0.200 68.483 68.868 -0.308 0.000 0.865 135 T HN 0.179 nan 8.240 nan 0.000 0.426 136 M N 1.835 121.327 119.600 -0.181 0.000 2.159 136 M HA -0.019 4.462 4.480 0.002 0.000 0.263 136 M C 1.991 178.241 176.300 -0.083 0.000 1.063 136 M CA 1.312 56.555 55.300 -0.096 0.000 1.110 136 M CB -0.548 32.021 32.600 -0.050 0.000 1.374 136 M HN 0.188 nan 8.290 nan 0.000 0.411 137 N N -0.378 118.264 118.700 -0.098 0.000 2.142 137 N HA -0.134 4.607 4.740 0.002 0.000 0.186 137 N C 1.612 177.087 175.510 -0.058 0.000 1.023 137 N CA 1.372 54.387 53.050 -0.059 0.000 0.852 137 N CB 0.008 38.467 38.487 -0.046 0.000 0.998 137 N HN 0.451 nan 8.380 nan 0.000 0.424 138 A N 1.016 123.766 122.820 -0.116 0.000 1.902 138 A HA -0.011 4.311 4.320 0.002 0.000 0.217 138 A C 2.370 179.923 177.584 -0.052 0.000 1.181 138 A CA 1.729 53.717 52.037 -0.083 0.000 0.623 138 A CB -0.834 18.047 19.000 -0.199 0.000 0.818 138 A HN 0.467 nan 8.150 nan 0.000 0.443 139 A N -0.902 121.871 122.820 -0.079 0.000 1.902 139 A HA -0.174 4.147 4.320 0.002 0.000 0.217 139 A C 2.312 179.896 177.584 0.001 0.000 1.181 139 A CA 1.695 53.717 52.037 -0.024 0.000 0.623 139 A CB -1.298 17.690 19.000 -0.019 0.000 0.818 139 A HN 0.609 nan 8.150 nan 0.000 0.443 140 C N -0.756 118.543 119.300 -0.002 0.000 2.429 140 C HA -0.098 4.363 4.460 0.002 0.000 0.277 140 C C 2.666 177.661 174.990 0.008 0.000 1.262 140 C CA 1.161 60.185 59.018 0.010 0.000 1.733 140 C CB -1.185 26.563 27.740 0.014 0.000 2.010 140 C HN 0.784 nan 8.230 nan 0.000 0.483 141 E N 0.724 120.925 120.200 0.003 0.000 2.058 141 E HA -0.217 4.134 4.350 0.002 0.000 0.194 141 E C 2.035 178.636 176.600 0.002 0.000 0.997 141 E CA 1.269 57.672 56.400 0.004 0.000 0.801 141 E CB -0.199 29.507 29.700 0.009 0.000 0.746 141 E HN 0.630 nan 8.360 nan 0.000 0.450 142 L N 0.517 121.746 121.223 0.009 0.000 2.017 142 L HA -0.225 4.116 4.340 0.002 0.000 0.208 142 L C 2.707 179.580 176.870 0.005 0.000 1.073 142 L CA 1.008 55.854 54.840 0.010 0.000 0.745 142 L CB -0.418 41.660 42.059 0.031 0.000 0.894 142 L HN 0.242 nan 8.230 nan 0.000 0.432 143 L N -0.554 120.675 121.223 0.011 0.000 2.046 143 L HA -0.136 4.205 4.340 0.002 0.000 0.208 143 L C 2.662 179.536 176.870 0.007 0.000 1.077 143 L CA 1.401 56.248 54.840 0.011 0.000 0.747 143 L CB -1.145 40.925 42.059 0.020 0.000 0.896 143 L HN 0.326 nan 8.230 nan 0.000 0.432 144 G N -0.428 108.375 108.800 0.005 0.000 2.432 144 G HA2 -0.218 3.743 3.960 0.002 0.000 0.219 144 G HA3 -0.218 3.743 3.960 0.002 0.000 0.219 144 G C 1.758 176.655 174.900 -0.005 0.000 1.135 144 G CA 0.319 45.420 45.100 0.002 0.000 0.767 144 G HN 0.284 nan 8.290 nan 0.000 0.550 145 R N -0.474 120.019 120.500 -0.012 0.000 2.236 145 R HA 0.240 4.581 4.340 0.002 0.000 0.208 145 R C 1.980 178.267 176.300 -0.022 0.000 1.036 145 R CA 0.131 56.217 56.100 -0.023 0.000 1.001 145 R CB -0.133 30.144 30.300 -0.039 0.000 0.896 145 R HN 0.323 nan 8.270 nan 0.000 0.464 146 L N 0.579 121.794 121.223 -0.014 0.000 2.599 146 L HA 0.030 4.371 4.340 0.002 0.000 0.230 146 L C 0.273 177.140 176.870 -0.004 0.000 1.141 146 L CA 0.405 55.239 54.840 -0.010 0.000 0.877 146 L CB -0.178 41.876 42.059 -0.009 0.000 1.009 146 L HN 0.268 nan 8.230 nan 0.000 0.447 147 Q N -1.386 118.413 119.800 -0.002 0.000 2.489 147 Q HA -0.194 4.147 4.340 0.002 0.000 0.259 147 Q C 0.375 176.381 176.000 0.010 0.000 0.934 147 Q CA 0.440 56.244 55.803 0.003 0.000 1.131 147 Q CB -1.621 27.118 28.738 0.002 0.000 1.472 147 Q HN 0.569 nan 8.270 nan 0.000 0.560 148 A N 1.141 123.968 122.820 0.012 0.000 2.322 148 A HA 0.417 4.738 4.320 0.002 0.000 0.269 148 A C 0.071 177.666 177.584 0.018 0.000 1.094 148 A CA -0.147 51.903 52.037 0.021 0.000 0.807 148 A CB 0.689 19.705 19.000 0.025 0.000 1.047 148 A HN 0.293 nan 8.150 nan 0.000 0.487 149 E N 1.523 121.735 120.200 0.020 0.000 2.109 149 E HA 0.447 4.798 4.350 0.002 0.000 0.278 149 E C -1.363 175.241 176.600 0.007 0.000 0.954 149 E CA -0.528 55.879 56.400 0.012 0.000 0.779 149 E CB 0.963 30.669 29.700 0.009 0.000 1.093 149 E HN 0.356 nan 8.360 nan 0.000 0.401 150 V N 7.462 127.382 119.914 0.010 0.000 2.372 150 V HA 0.034 4.155 4.120 0.002 0.000 0.261 150 V C 1.360 177.451 176.094 -0.005 0.000 1.055 150 V CA 0.025 62.330 62.300 0.008 0.000 0.930 150 V CB 0.597 32.435 31.823 0.026 0.000 1.031 150 V HN 0.865 nan 8.190 nan 0.000 0.479 151 L N 2.893 124.077 121.223 -0.065 0.000 2.109 151 L HA 0.179 4.520 4.340 0.002 0.000 0.207 151 L C 1.032 177.883 176.870 -0.033 0.000 1.086 151 L CA 1.239 56.006 54.840 -0.122 0.000 0.760 151 L CB 0.082 41.882 42.059 -0.431 0.000 0.910 151 L HN 0.720 nan 8.230 nan 0.000 0.437 152 E N -2.178 118.011 120.200 -0.018 0.000 2.389 152 E HA 0.259 4.610 4.350 0.002 0.000 0.281 152 E C -1.885 174.775 176.600 0.100 0.000 1.072 152 E CA -0.717 55.740 56.400 0.095 0.000 0.845 152 E CB 1.765 31.580 29.700 0.192 0.000 1.239 152 E HN -0.078 nan 8.360 nan 0.000 0.434 153 C N 2.309 121.713 119.300 0.173 0.000 2.411 153 C HA 0.852 5.313 4.460 0.002 0.000 0.330 153 C C -0.392 174.682 174.990 0.139 0.000 1.224 153 C CA -0.540 58.604 59.018 0.210 0.000 1.770 153 C CB 0.530 28.458 27.740 0.312 0.000 2.297 153 C HN 0.475 nan 8.230 nan 0.000 0.507 154 V N 1.150 121.118 119.914 0.089 0.000 3.078 154 V HA 1.029 5.151 4.120 0.002 0.000 0.311 154 V C -0.497 175.610 176.094 0.022 0.000 1.138 154 V CA -0.281 61.975 62.300 -0.073 0.000 1.007 154 V CB 1.830 33.674 31.823 0.036 0.000 1.045 154 V HN 1.062 nan 8.190 nan 0.000 0.432 155 S N 2.094 117.743 115.700 -0.085 0.000 2.579 155 S HA 0.664 5.135 4.470 0.002 0.000 0.272 155 S C 0.028 174.525 174.600 -0.172 0.000 1.141 155 S CA -0.638 57.538 58.200 -0.039 0.000 0.843 155 S CB 1.724 65.024 63.200 0.167 0.000 1.122 155 S HN 0.820 nan 8.310 nan 0.000 0.468 156 L N 1.141 122.216 121.223 -0.246 0.000 2.072 156 L HA 0.271 4.613 4.340 0.002 0.000 0.205 156 L C 0.443 177.238 176.870 -0.124 0.000 1.079 156 L CA 1.275 55.969 54.840 -0.244 0.000 0.752 156 L CB -0.283 41.573 42.059 -0.340 0.000 0.906 156 L HN 0.649 nan 8.230 nan 0.000 0.436 157 V N -1.111 118.772 119.914 -0.052 0.000 2.735 157 V HA 0.423 4.544 4.120 0.002 0.000 0.310 157 V C -0.545 175.593 176.094 0.073 0.000 1.061 157 V CA -0.940 61.385 62.300 0.042 0.000 0.913 157 V CB 2.164 34.026 31.823 0.064 0.000 1.005 157 V HN 0.125 nan 8.190 nan 0.000 0.428 158 E N 2.974 123.232 120.200 0.097 0.000 2.256 158 E HA 0.502 4.854 4.350 0.002 0.000 0.268 158 E C -2.015 174.627 176.600 0.070 0.000 0.877 158 E CA -0.816 55.631 56.400 0.080 0.000 0.757 158 E CB 1.893 31.677 29.700 0.139 0.000 1.183 158 E HN 0.440 nan 8.360 nan 0.000 0.418 159 L N 4.845 126.079 121.223 0.018 0.000 2.287 159 L HA 0.205 4.546 4.340 0.002 0.000 0.280 159 L C 1.441 178.306 176.870 -0.009 0.000 1.055 159 L CA 0.055 54.911 54.840 0.027 0.000 0.863 159 L CB 0.527 42.584 42.059 -0.003 0.000 1.245 159 L HN 0.790 nan 8.230 nan 0.000 0.432 160 T N -2.551 112.005 114.554 0.003 0.000 2.915 160 T HA -0.142 4.209 4.350 0.002 0.000 0.269 160 T C 1.781 176.467 174.700 -0.023 0.000 1.071 160 T CA 1.194 63.283 62.100 -0.019 0.000 1.132 160 T CB -0.106 68.753 68.868 -0.015 0.000 0.878 160 T HN 0.516 nan 8.240 nan 0.000 0.479 161 S N 1.258 116.951 115.700 -0.011 0.000 2.469 161 S HA 0.042 4.513 4.470 0.002 0.000 0.238 161 S C 1.661 176.247 174.600 -0.024 0.000 0.998 161 S CA 0.267 58.459 58.200 -0.013 0.000 0.957 161 S CB -0.612 62.587 63.200 -0.003 0.000 0.764 161 S HN 0.299 nan 8.310 nan 0.000 0.514 162 L N 0.976 122.178 121.223 -0.035 0.000 2.591 162 L HA 0.372 4.713 4.340 0.002 0.000 0.228 162 L C 0.985 177.819 176.870 -0.060 0.000 1.133 162 L CA 0.513 55.326 54.840 -0.046 0.000 0.880 162 L CB -1.181 40.847 42.059 -0.052 0.000 1.033 162 L HN 0.324 nan 8.230 nan 0.000 0.450 163 K N -0.974 119.388 120.400 -0.064 0.000 3.069 163 K HA -0.237 4.085 4.320 0.002 0.000 0.267 163 K C 1.429 177.968 176.600 -0.102 0.000 1.082 163 K CA 0.353 56.599 56.287 -0.068 0.000 0.782 163 K CB -2.070 30.403 32.500 -0.045 0.000 1.230 163 K HN 0.452 nan 8.250 nan 0.000 0.488 164 G N 1.041 109.749 108.800 -0.154 0.000 2.422 164 G HA2 -0.310 3.651 3.960 0.002 0.000 0.218 164 G HA3 -0.310 3.651 3.960 0.002 0.000 0.218 164 G C 1.281 176.016 174.900 -0.274 0.000 1.146 164 G CA 1.101 46.065 45.100 -0.226 0.000 0.769 164 G HN 0.458 nan 8.290 nan 0.000 0.547 165 R N 0.535 120.862 120.500 -0.288 0.000 2.094 165 R HA -0.134 4.208 4.340 0.002 0.000 0.239 165 R C 2.513 178.770 176.300 -0.071 0.000 1.137 165 R CA 2.015 58.003 56.100 -0.187 0.000 0.943 165 R CB -0.328 29.935 30.300 -0.062 0.000 0.850 165 R HN 0.486 nan 8.270 nan 0.000 0.433 166 E N 0.045 120.212 120.200 -0.056 0.000 2.077 166 E HA -0.246 4.105 4.350 0.002 0.000 0.193 166 E C 1.996 178.578 176.600 -0.032 0.000 0.989 166 E CA 1.494 57.877 56.400 -0.028 0.000 0.800 166 E CB -0.050 29.635 29.700 -0.025 0.000 0.746 166 E HN 0.279 nan 8.360 nan 0.000 0.452 167 K N 1.024 121.391 120.400 -0.054 0.000 2.063 167 K HA -0.167 4.154 4.320 0.002 0.000 0.208 167 K C 1.976 178.555 176.600 -0.035 0.000 1.048 167 K CA 1.168 57.428 56.287 -0.046 0.000 0.928 167 K CB -0.053 32.410 32.500 -0.062 0.000 0.713 167 K HN 0.080 nan 8.250 nan 0.000 0.442 168 L N 0.820 122.015 121.223 -0.047 0.000 2.156 168 L HA 0.041 4.382 4.340 0.002 0.000 0.208 168 L C 0.994 177.876 176.870 0.021 0.000 1.095 168 L CA 0.068 54.901 54.840 -0.012 0.000 0.770 168 L CB -0.563 41.493 42.059 -0.005 0.000 0.914 168 L HN 0.184 nan 8.230 nan 0.000 0.439 169 A N 1.324 124.158 122.820 0.022 0.000 2.567 169 A HA 0.072 4.393 4.320 0.002 0.000 0.240 169 A C -1.163 176.437 177.584 0.027 0.000 1.053 169 A CA -0.590 51.468 52.037 0.036 0.000 0.755 169 A CB -0.329 18.689 19.000 0.029 0.000 0.978 169 A HN 0.148 nan 8.150 nan 0.000 0.507 170 P HA 0.094 nan 4.420 nan 0.000 0.255 170 P C -0.139 177.198 177.300 0.061 0.000 1.248 170 P CA -0.005 63.122 63.100 0.044 0.000 0.807 170 P CB -0.142 31.579 31.700 0.035 0.000 1.150 171 V N 3.243 123.196 119.914 0.065 0.000 2.493 171 V HA 0.047 4.168 4.120 0.002 0.000 0.292 171 V C -1.929 174.243 176.094 0.130 0.000 1.016 171 V CA -0.892 61.461 62.300 0.088 0.000 1.097 171 V CB -0.515 31.357 31.823 0.081 0.000 0.947 171 V HN 0.097 nan 8.190 nan 0.000 0.479 172 P HA 0.215 nan 4.420 nan 0.000 0.269 172 P C -0.918 176.538 177.300 0.260 0.000 1.215 172 P CA 0.038 63.249 63.100 0.185 0.000 0.780 172 P CB 0.358 32.163 31.700 0.176 0.000 0.898 173 F N 3.070 123.093 119.950 0.122 0.000 2.578 173 F HA 0.675 5.202 4.527 0.001 0.000 0.311 173 F C -1.844 174.053 175.800 0.162 0.000 1.094 173 F CA -0.961 57.109 58.000 0.116 0.000 0.923 173 F CB 1.252 40.282 39.000 0.050 0.000 1.230 173 F HN 0.176 nan 8.300 nan 0.000 0.450 174 F N 4.702 123.877 119.950 -1.292 0.000 2.574 174 F HA 0.659 5.187 4.527 0.002 0.000 0.313 174 F C -1.365 173.716 175.800 -1.198 0.000 1.130 174 F CA -0.350 57.060 58.000 -0.985 0.000 0.936 174 F CB 1.827 40.368 39.000 -0.765 0.000 1.219 174 F HN 0.532 nan 8.300 nan 0.000 0.445 175 S N 5.841 120.714 115.700 -1.378 0.000 2.536 175 S HA 0.539 5.010 4.470 0.002 0.000 0.298 175 S C 0.466 174.406 174.600 -1.099 0.000 1.083 175 S CA -0.886 56.773 58.200 -0.902 0.000 0.995 175 S CB 1.829 64.874 63.200 -0.258 0.000 1.058 175 S HN 0.802 nan 8.310 nan 0.000 0.488 176 L N 0.504 121.344 121.223 -0.638 0.000 2.027 176 L HA 0.183 4.525 4.340 0.002 0.000 0.206 176 L C 0.107 176.784 176.870 -0.323 0.000 1.074 176 L CA 1.124 55.709 54.840 -0.425 0.000 0.745 176 L CB -0.391 41.545 42.059 -0.204 0.000 0.898 176 L HN 0.535 nan 8.230 nan 0.000 0.433 177 L N -0.591 120.482 121.223 -0.251 0.000 2.381 177 L HA 0.418 4.759 4.340 0.002 0.000 0.268 177 L C -1.202 175.532 176.870 -0.227 0.000 0.997 177 L CA -0.696 54.008 54.840 -0.228 0.000 0.818 177 L CB 2.063 44.048 42.059 -0.123 0.000 1.310 177 L HN -0.056 nan 8.230 nan 0.000 0.416 178 Q N 2.051 121.640 119.800 -0.352 0.000 2.340 178 Q HA 0.620 4.961 4.340 0.002 0.000 0.268 178 Q C -1.666 174.038 176.000 -0.493 0.000 1.031 178 Q CA -0.384 55.259 55.803 -0.267 0.000 0.804 178 Q CB 2.234 30.869 28.738 -0.171 0.000 1.286 178 Q HN 0.296 nan 8.270 nan 0.000 0.448 179 Y N -0.768 119.507 120.300 -0.043 0.000 2.562 179 Y HA 0.370 4.921 4.550 0.002 0.000 0.343 179 Y C 0.701 176.583 175.900 -0.031 0.000 1.025 179 Y CA -1.307 56.773 58.100 -0.034 0.000 1.082 179 Y CB 1.407 39.848 38.460 -0.031 0.000 1.264 179 Y HN 0.626 nan 8.280 nan 0.000 0.478 180 E N 0.000 120.279 120.200 0.131 0.000 2.725 180 E HA 0.000 4.351 4.350 0.002 0.000 0.291 180 E CA 0.000 56.439 56.400 0.065 0.000 0.976 180 E CB 0.000 29.730 29.700 0.050 0.000 0.812 180 E HN 0.000 nan 8.360 nan 0.000 0.440