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 3bg0_1_F DATA FIRST_RESID 130 DATA SEQUENCE DEIDNAKLIM KERRFTASYT FAKFSTGSML LTKDIVGKSG VSIKRLPTEL DATA SEQUENCE QRKFLFDDVY LDKEIEKVTI EARKSNPYPQ ISESSLLFKD ALDYMEKTSS DATA SEQUENCE DYNLWKLSSI LFDPVSYPYK TDNDQVKMAL LKKERHCRLT SWIVSQIGPE DATA SEQUENCE IEEKIRNSSN EIEQIFLYLL LNDVVRASKL AIESKNGHLS VLISYLGSND DATA SEQUENCE PRIRDLAELQ LQKWSTGGCS IDKNISKIYK LLSGSPFEGL FSLKELESEF DATA SEQUENCE SWLCLLNLTL CYGQIDEYSL ESLVQSHLDK FSLPYDDPIG VIFQLYAANE DATA SEQUENCE NTEKLYKEVR QRTNALDVQF CWYLIQTLRF NGTRVFSKET SDEATFAFAA DATA SEQUENCE QLEFAQLHGH SLFVSCFLND DKAAEDTIKR LVMREITLLR ASTNDHILNR DATA SEQUENCE LKIPSQLIFN AQALKDRYEG NYL 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 130 D HA 0.000 nan 4.640 nan 0.000 0.175 130 D C 0.000 176.303 176.300 0.005 0.000 2.045 130 D CA 0.000 54.002 54.000 0.004 0.000 0.868 130 D CB 0.000 40.802 40.800 0.003 0.000 0.688 131 E N 1.119 121.322 120.200 0.005 0.000 3.935 131 E HA 0.395 4.745 4.350 -0.000 0.000 0.226 131 E C -0.801 175.803 176.600 0.007 0.000 1.220 131 E CA -0.043 56.360 56.400 0.006 0.000 1.226 131 E CB 0.013 29.716 29.700 0.005 0.000 1.237 131 E HN 0.214 nan 8.360 nan 0.000 0.417 132 I N 1.787 122.362 120.570 0.008 0.000 2.979 132 I HA 0.210 4.380 4.170 -0.000 0.000 0.337 132 I C 0.276 176.400 176.117 0.013 0.000 1.453 132 I CA -0.178 61.127 61.300 0.010 0.000 0.891 132 I CB 0.749 38.754 38.000 0.008 0.000 1.887 132 I HN 0.211 nan 8.210 nan 0.000 0.546 133 D N 1.071 121.478 120.400 0.013 0.000 2.240 133 D HA -0.004 4.636 4.640 -0.000 0.000 0.206 133 D C 1.477 177.789 176.300 0.019 0.000 0.963 133 D CA 0.810 54.818 54.000 0.015 0.000 0.863 133 D CB 0.333 41.141 40.800 0.012 0.000 0.973 133 D HN 0.362 nan 8.370 nan 0.000 0.501 134 N N 1.080 119.791 118.700 0.019 0.000 2.457 134 N HA -0.039 4.701 4.740 -0.000 0.000 0.180 134 N C 1.342 176.871 175.510 0.030 0.000 1.050 134 N CA 0.180 53.244 53.050 0.024 0.000 0.906 134 N CB 0.255 38.755 38.487 0.021 0.000 0.968 134 N HN 0.031 nan 8.380 nan 0.000 0.445 135 A N 0.150 122.986 122.820 0.026 0.000 2.276 135 A HA 0.093 4.413 4.320 -0.000 0.000 0.212 135 A C 1.610 179.217 177.584 0.037 0.000 1.230 135 A CA 0.483 52.538 52.037 0.030 0.000 0.844 135 A CB 0.166 19.178 19.000 0.019 0.000 0.860 135 A HN -0.025 nan 8.150 nan 0.000 0.486 136 K N -1.734 118.688 120.400 0.037 0.000 2.538 136 K HA 0.226 4.546 4.320 -0.000 0.000 0.215 136 K C 1.101 177.726 176.600 0.041 0.000 1.345 136 K CA 0.195 56.505 56.287 0.038 0.000 0.985 136 K CB 0.266 32.783 32.500 0.028 0.000 1.116 136 K HN 0.434 nan 8.250 nan 0.000 0.582 137 L N 0.511 121.758 121.223 0.040 0.000 2.362 137 L HA 0.271 4.611 4.340 -0.000 0.000 0.204 137 L C 1.761 178.661 176.870 0.049 0.000 1.060 137 L CA 0.917 55.779 54.840 0.037 0.000 0.827 137 L CB 0.156 42.232 42.059 0.028 0.000 1.027 137 L HN -0.065 nan 8.230 nan 0.000 0.474 138 I N -0.847 119.760 120.570 0.061 0.000 2.406 138 I HA -0.180 3.990 4.170 -0.000 0.000 0.249 138 I C 2.390 178.593 176.117 0.144 0.000 1.122 138 I CA 1.135 62.487 61.300 0.086 0.000 1.431 138 I CB -0.141 37.907 38.000 0.080 0.000 1.087 138 I HN 0.306 nan 8.210 nan 0.000 0.424 139 M N 0.211 119.891 119.600 0.133 0.000 2.254 139 M HA -0.142 4.338 4.480 -0.000 0.000 0.265 139 M C 2.141 178.539 176.300 0.163 0.000 1.066 139 M CA 1.523 56.935 55.300 0.187 0.000 1.123 139 M CB 0.029 32.701 32.600 0.120 0.000 1.388 139 M HN 0.033 nan 8.290 nan 0.000 0.425 140 K N -0.055 120.402 120.400 0.095 0.000 2.314 140 K HA -0.111 4.209 4.320 -0.000 0.000 0.198 140 K C 1.585 178.205 176.600 0.034 0.000 1.045 140 K CA 0.988 57.311 56.287 0.060 0.000 0.988 140 K CB 0.173 32.699 32.500 0.042 0.000 0.783 140 K HN 0.472 nan 8.250 nan 0.000 0.484 141 E N 0.053 120.274 120.200 0.036 0.000 2.285 141 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 141 E C 1.785 178.364 176.600 -0.035 0.000 0.997 141 E CA 0.797 57.200 56.400 0.005 0.000 0.845 141 E CB 0.183 29.891 29.700 0.013 0.000 0.782 141 E HN -0.144 nan 8.360 nan 0.000 0.491 142 R N 0.379 120.856 120.500 -0.038 0.000 2.280 142 R HA 0.215 4.555 4.340 -0.000 0.000 0.195 142 R C 0.248 176.351 176.300 -0.327 0.000 0.935 142 R CA 0.378 56.343 56.100 -0.224 0.000 1.033 142 R CB -0.064 30.053 30.300 -0.305 0.000 0.964 142 R HN 0.157 nan 8.270 nan 0.000 0.489 143 R N -1.699 118.723 120.500 -0.130 0.000 3.804 143 R HA -0.172 4.168 4.340 -0.000 0.000 0.459 143 R C -0.590 175.693 176.300 -0.029 0.000 1.009 143 R CA 0.549 56.594 56.100 -0.090 0.000 1.210 143 R CB -2.948 27.267 30.300 -0.140 0.000 1.860 143 R HN 0.232 nan 8.270 nan 0.000 0.526 144 F N 2.564 122.502 119.950 -0.020 0.000 2.504 144 F HA 0.009 4.536 4.527 -0.000 0.000 0.365 144 F C 1.488 177.309 175.800 0.035 0.000 1.140 144 F CA 0.422 58.415 58.000 -0.012 0.000 1.077 144 F CB 0.435 39.428 39.000 -0.011 0.000 1.106 144 F HN -0.158 nan 8.300 nan 0.000 0.578 145 T N 2.742 117.449 114.554 0.254 0.000 2.816 145 T HA 0.211 4.561 4.350 -0.000 0.000 0.282 145 T C 1.396 176.196 174.700 0.167 0.000 0.993 145 T CA -0.078 62.122 62.100 0.167 0.000 0.994 145 T CB 1.597 70.538 68.868 0.123 0.000 1.025 145 T HN 0.669 nan 8.240 nan 0.000 0.529 146 A N 1.507 124.394 122.820 0.112 0.000 1.917 146 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 146 A C 1.782 179.422 177.584 0.092 0.000 1.182 146 A CA 1.825 53.914 52.037 0.086 0.000 0.633 146 A CB -0.914 18.120 19.000 0.056 0.000 0.819 146 A HN 0.841 nan 8.150 nan 0.000 0.448 147 S N -0.600 115.163 115.700 0.105 0.000 4.120 147 S HA 0.353 4.823 4.470 -0.000 0.000 0.196 147 S C -0.406 174.304 174.600 0.183 0.000 1.447 147 S CA -0.588 57.673 58.200 0.102 0.000 0.939 147 S CB -0.625 62.621 63.200 0.077 0.000 1.496 147 S HN 0.446 nan 8.310 nan 0.000 0.460 148 Y N 2.060 122.396 120.300 0.059 0.000 2.385 148 Y HA 0.611 5.161 4.550 -0.000 0.000 0.341 148 Y C -0.520 175.432 175.900 0.085 0.000 0.965 148 Y CA -1.029 57.124 58.100 0.088 0.000 1.180 148 Y CB 0.733 39.227 38.460 0.057 0.000 1.139 148 Y HN 0.366 nan 8.280 nan 0.000 0.502 149 T N 7.749 122.416 114.554 0.188 0.000 2.930 149 T HA 0.707 5.057 4.350 -0.000 0.000 0.290 149 T C -1.388 173.417 174.700 0.175 0.000 1.052 149 T CA -0.400 61.660 62.100 -0.068 0.000 1.017 149 T CB 1.349 70.177 68.868 -0.065 0.000 1.137 149 T HN 0.488 nan 8.240 nan 0.000 0.511 150 F N -0.695 119.231 119.950 -0.039 0.000 2.613 150 F HA 0.921 5.448 4.527 -0.000 0.000 0.310 150 F C -1.184 174.638 175.800 0.036 0.000 1.085 150 F CA -1.535 56.521 58.000 0.093 0.000 0.945 150 F CB 1.125 40.208 39.000 0.137 0.000 1.298 150 F HN 0.757 nan 8.300 nan 0.000 0.455 151 A N 2.663 125.604 122.820 0.201 0.000 2.488 151 A HA 0.788 5.108 4.320 -0.000 0.000 0.295 151 A C -1.561 176.149 177.584 0.211 0.000 1.045 151 A CA -0.913 51.169 52.037 0.075 0.000 0.703 151 A CB 1.677 20.671 19.000 -0.009 0.000 1.271 151 A HN 0.798 nan 8.150 nan 0.000 0.400 152 K N 1.629 122.138 120.400 0.182 0.000 2.535 152 K HA 0.491 4.811 4.320 -0.000 0.000 0.251 152 K C -1.512 175.204 176.600 0.193 0.000 0.942 152 K CA -0.463 55.966 56.287 0.236 0.000 0.798 152 K CB 1.898 34.534 32.500 0.226 0.000 1.267 152 K HN 0.522 nan 8.250 nan 0.000 0.434 153 F N 0.836 120.821 119.950 0.058 0.000 2.440 153 F HA 0.268 4.795 4.527 -0.000 0.000 0.323 153 F C 1.167 176.995 175.800 0.046 0.000 1.192 153 F CA 0.281 58.308 58.000 0.045 0.000 1.252 153 F CB 1.335 40.364 39.000 0.048 0.000 1.214 153 F HN 0.309 nan 8.300 nan 0.000 0.578 154 S N -0.595 115.231 115.700 0.209 0.000 2.599 154 S HA 0.309 4.779 4.470 -0.000 0.000 0.287 154 S C 0.735 175.412 174.600 0.128 0.000 1.105 154 S CA -0.473 57.805 58.200 0.131 0.000 0.899 154 S CB 1.489 64.732 63.200 0.072 0.000 1.100 154 S HN 0.682 nan 8.310 nan 0.000 0.482 155 T N 2.911 117.513 114.554 0.080 0.000 2.701 155 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 155 T C 1.678 176.418 174.700 0.067 0.000 1.032 155 T CA 2.126 64.258 62.100 0.054 0.000 1.158 155 T CB -0.927 67.945 68.868 0.007 0.000 0.854 155 T HN 0.878 nan 8.240 nan 0.000 0.463 156 G N 0.158 108.998 108.800 0.067 0.000 2.708 156 G HA2 0.107 4.067 3.960 -0.000 0.000 0.210 156 G HA3 0.107 4.067 3.960 -0.000 0.000 0.210 156 G C 0.585 175.567 174.900 0.137 0.000 1.141 156 G CA 0.642 45.790 45.100 0.080 0.000 0.788 156 G HN 0.473 nan 8.290 nan 0.000 0.531 157 S N -1.143 114.668 115.700 0.186 0.000 3.749 157 S HA -0.179 4.291 4.470 -0.000 0.000 0.348 157 S C 0.214 174.932 174.600 0.196 0.000 1.045 157 S CA 1.276 59.666 58.200 0.316 0.000 1.051 157 S CB -1.962 61.517 63.200 0.465 0.000 0.898 157 S HN 0.907 nan 8.310 nan 0.000 0.472 158 M N -0.755 118.887 119.600 0.070 0.000 2.267 158 M HA 0.737 5.217 4.480 -0.000 0.000 0.289 158 M C -0.513 175.629 176.300 -0.263 0.000 1.043 158 M CA -1.067 54.165 55.300 -0.114 0.000 0.928 158 M CB 1.433 33.994 32.600 -0.066 0.000 1.613 158 M HN 0.079 nan 8.290 nan 0.000 0.450 159 L N 4.249 125.129 121.223 -0.572 0.000 2.472 159 L HA 0.585 4.925 4.340 -0.000 0.000 0.260 159 L C -1.267 175.427 176.870 -0.294 0.000 1.209 159 L CA 0.061 54.517 54.840 -0.640 0.000 0.817 159 L CB 0.761 42.255 42.059 -0.942 0.000 1.106 159 L HN 0.830 nan 8.230 nan 0.000 0.479 160 L N 3.273 124.375 121.223 -0.201 0.000 2.471 160 L HA 0.377 4.717 4.340 -0.000 0.000 0.263 160 L C -0.709 176.048 176.870 -0.188 0.000 0.985 160 L CA -0.462 54.305 54.840 -0.121 0.000 0.868 160 L CB 1.220 43.283 42.059 0.006 0.000 1.203 160 L HN 0.559 nan 8.230 nan 0.000 0.429 161 T N 1.134 115.535 114.554 -0.254 0.000 2.859 161 T HA 0.250 4.600 4.350 -0.000 0.000 0.281 161 T C 0.120 174.557 174.700 -0.439 0.000 1.005 161 T CA -0.648 61.225 62.100 -0.378 0.000 1.025 161 T CB 1.772 70.481 68.868 -0.264 0.000 0.977 161 T HN 0.533 nan 8.240 nan 0.000 0.458 162 K N 2.158 122.131 120.400 -0.711 0.000 2.237 162 K HA 0.305 4.625 4.320 -0.000 0.000 0.283 162 K C -0.807 175.631 176.600 -0.270 0.000 1.080 162 K CA -0.211 55.764 56.287 -0.521 0.000 0.965 162 K CB 0.086 32.153 32.500 -0.721 0.000 1.098 162 K HN 0.295 nan 8.250 nan 0.000 0.434 163 D N 3.117 123.411 120.400 -0.177 0.000 2.340 163 D HA 0.223 4.863 4.640 -0.000 0.000 0.240 163 D C 0.512 176.763 176.300 -0.083 0.000 1.001 163 D CA -0.801 53.127 54.000 -0.120 0.000 0.888 163 D CB 1.234 41.971 40.800 -0.106 0.000 1.310 163 D HN 0.557 nan 8.370 nan 0.000 0.474 164 I N 2.300 122.831 120.570 -0.066 0.000 3.369 164 I HA -0.098 4.072 4.170 -0.000 0.000 0.288 164 I C 0.923 177.017 176.117 -0.040 0.000 1.321 164 I CA 0.326 61.598 61.300 -0.047 0.000 1.358 164 I CB 0.217 38.193 38.000 -0.040 0.000 1.038 164 I HN 0.265 nan 8.210 nan 0.000 0.516 165 V N 0.545 120.431 119.914 -0.046 0.000 3.630 165 V HA 0.135 4.255 4.120 -0.000 0.000 0.273 165 V C 1.004 177.078 176.094 -0.034 0.000 1.248 165 V CA 0.371 62.647 62.300 -0.040 0.000 1.170 165 V CB -0.802 30.993 31.823 -0.048 0.000 0.899 165 V HN 0.446 nan 8.190 nan 0.000 0.457 166 G N -1.239 107.543 108.800 -0.029 0.000 2.533 166 G HA2 0.426 4.386 3.960 -0.000 0.000 0.304 166 G HA3 0.426 4.386 3.960 -0.000 0.000 0.304 166 G C 0.453 175.347 174.900 -0.011 0.000 1.263 166 G CA -0.393 44.695 45.100 -0.019 0.000 0.964 166 G HN -0.178 nan 8.290 nan 0.000 0.479 167 K N 0.318 120.715 120.400 -0.005 0.000 2.074 167 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 167 K C 2.201 178.801 176.600 0.001 0.000 1.048 167 K CA 1.999 58.285 56.287 -0.002 0.000 0.926 167 K CB -0.237 32.264 32.500 0.003 0.000 0.713 167 K HN 0.380 nan 8.250 nan 0.000 0.444 168 S N -2.187 113.516 115.700 0.006 0.000 2.499 168 S HA 0.201 4.671 4.470 -0.000 0.000 0.225 168 S C 0.407 175.015 174.600 0.013 0.000 1.050 168 S CA 0.798 59.005 58.200 0.012 0.000 0.928 168 S CB 0.507 63.720 63.200 0.022 0.000 0.803 168 S HN 0.534 nan 8.310 nan 0.000 0.506 169 G N 0.841 109.646 108.800 0.008 0.000 2.610 169 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.136 169 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.136 169 G C -0.363 174.539 174.900 0.003 0.000 1.070 169 G CA -0.201 44.895 45.100 -0.005 0.000 0.812 169 G HN 0.733 nan 8.290 nan 0.000 0.495 170 V N 0.020 119.935 119.914 0.001 0.000 2.454 170 V HA 0.514 4.634 4.120 -0.000 0.000 0.255 170 V C 1.022 177.089 176.094 -0.044 0.000 1.009 170 V CA -0.351 61.952 62.300 0.006 0.000 1.149 170 V CB 0.272 32.134 31.823 0.064 0.000 1.418 170 V HN 1.225 nan 8.190 nan 0.000 0.567 171 S N 1.426 117.074 115.700 -0.087 0.000 2.752 171 S HA 0.186 4.656 4.470 -0.000 0.000 0.329 171 S C 0.304 174.844 174.600 -0.100 0.000 1.204 171 S CA -0.019 58.127 58.200 -0.090 0.000 1.252 171 S CB -0.495 62.642 63.200 -0.105 0.000 1.053 171 S HN 0.599 nan 8.310 nan 0.000 0.533 172 I N 3.107 123.632 120.570 -0.075 0.000 2.528 172 I HA 0.045 4.215 4.170 -0.000 0.000 0.276 172 I C 0.707 176.765 176.117 -0.098 0.000 1.056 172 I CA -0.297 60.956 61.300 -0.079 0.000 1.858 172 I CB -0.376 37.596 38.000 -0.048 0.000 1.448 172 I HN 0.453 nan 8.210 nan 0.000 0.776 173 K N 3.250 123.574 120.400 -0.127 0.000 2.485 173 K HA 0.075 4.395 4.320 -0.000 0.000 0.277 173 K C 0.315 176.821 176.600 -0.157 0.000 0.990 173 K CA 0.217 56.424 56.287 -0.134 0.000 0.994 173 K CB 0.809 33.217 32.500 -0.153 0.000 0.906 173 K HN 0.432 nan 8.250 nan 0.000 0.488 174 R N 1.664 122.086 120.500 -0.131 0.000 2.674 174 R HA 0.291 4.631 4.340 -0.000 0.000 0.266 174 R C -0.590 175.604 176.300 -0.176 0.000 1.016 174 R CA -0.859 55.161 56.100 -0.134 0.000 1.062 174 R CB 0.675 30.928 30.300 -0.079 0.000 1.142 174 R HN 0.316 nan 8.270 nan 0.000 0.517 175 L N 4.771 125.860 121.223 -0.224 0.000 2.281 175 L HA 0.341 4.681 4.340 -0.000 0.000 0.285 175 L C -1.966 174.736 176.870 -0.281 0.000 1.074 175 L CA -1.778 52.874 54.840 -0.313 0.000 0.817 175 L CB 1.037 42.792 42.059 -0.507 0.000 1.168 175 L HN 0.564 nan 8.230 nan 0.000 0.434 176 P HA 0.030 nan 4.420 nan 0.000 0.263 176 P C -0.272 176.994 177.300 -0.057 0.000 1.195 176 P CA -0.122 62.924 63.100 -0.090 0.000 0.762 176 P CB 0.310 31.977 31.700 -0.055 0.000 0.799 177 T N 2.729 117.299 114.554 0.026 0.000 2.802 177 T HA 0.055 4.405 4.350 -0.000 0.000 0.305 177 T C 0.837 175.596 174.700 0.098 0.000 1.053 177 T CA 0.060 62.230 62.100 0.116 0.000 1.058 177 T CB 0.277 69.224 68.868 0.132 0.000 0.988 177 T HN 0.423 nan 8.240 nan 0.000 0.539 178 E N 0.998 121.276 120.200 0.131 0.000 3.385 178 E HA 0.274 4.624 4.350 -0.000 0.000 0.206 178 E C -1.030 175.645 176.600 0.124 0.000 0.997 178 E CA -0.345 56.122 56.400 0.112 0.000 1.278 178 E CB 0.496 30.269 29.700 0.121 0.000 1.165 178 E HN 0.111 nan 8.360 nan 0.000 0.452 179 L N 0.870 122.165 121.223 0.120 0.000 2.376 179 L HA 0.462 4.802 4.340 -0.000 0.000 0.275 179 L C -1.336 175.598 176.870 0.106 0.000 0.987 179 L CA -0.583 54.328 54.840 0.118 0.000 0.828 179 L CB 1.821 43.944 42.059 0.107 0.000 1.249 179 L HN -0.091 nan 8.230 nan 0.000 0.409 180 Q N 4.594 124.449 119.800 0.091 0.000 2.558 180 Q HA 0.594 4.934 4.340 -0.000 0.000 0.252 180 Q C -1.244 174.782 176.000 0.043 0.000 1.015 180 Q CA -0.036 55.815 55.803 0.079 0.000 0.720 180 Q CB 0.714 29.492 28.738 0.067 0.000 1.215 180 Q HN 0.674 nan 8.270 nan 0.000 0.500 181 R N 2.503 123.006 120.500 0.005 0.000 2.867 181 R HA 0.118 4.458 4.340 -0.000 0.000 0.288 181 R C 0.427 176.616 176.300 -0.185 0.000 1.360 181 R CA -0.101 55.922 56.100 -0.128 0.000 1.042 181 R CB 0.518 30.651 30.300 -0.279 0.000 1.287 181 R HN 0.549 nan 8.270 nan 0.000 0.404 182 K N 2.582 122.971 120.400 -0.017 0.000 2.144 182 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 182 K C 1.178 177.841 176.600 0.104 0.000 1.047 182 K CA 2.338 58.674 56.287 0.081 0.000 0.927 182 K CB -0.554 31.965 32.500 0.032 0.000 0.716 182 K HN 0.529 nan 8.250 nan 0.000 0.454 183 F N 1.177 121.126 119.950 -0.002 0.000 2.494 183 F HA 0.112 4.639 4.527 -0.000 0.000 0.298 183 F C 1.431 177.098 175.800 -0.221 0.000 1.106 183 F CA 0.418 58.355 58.000 -0.105 0.000 1.452 183 F CB -0.506 38.337 39.000 -0.262 0.000 1.085 183 F HN -0.136 nan 8.300 nan 0.000 0.569 184 L N -0.865 119.922 121.223 -0.727 0.000 2.362 184 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 184 L C 1.283 177.733 176.870 -0.700 0.000 1.134 184 L CA 0.799 55.166 54.840 -0.788 0.000 0.807 184 L CB -0.693 40.760 42.059 -1.010 0.000 0.927 184 L HN 0.167 nan 8.230 nan 0.000 0.447 185 F N -1.317 118.493 119.950 -0.233 0.000 2.765 185 F HA 0.129 4.656 4.527 -0.000 0.000 0.302 185 F C 0.886 176.642 175.800 -0.074 0.000 1.111 185 F CA -0.310 57.598 58.000 -0.153 0.000 1.359 185 F CB -0.080 38.845 39.000 -0.124 0.000 1.097 185 F HN -0.058 nan 8.300 nan 0.000 0.577 186 D N 0.191 120.661 120.400 0.117 0.000 2.217 186 D HA 0.084 4.724 4.640 -0.000 0.000 0.243 186 D C 0.652 177.027 176.300 0.125 0.000 1.054 186 D CA -0.208 53.873 54.000 0.136 0.000 0.838 186 D CB 1.391 42.304 40.800 0.189 0.000 1.162 186 D HN -0.077 nan 8.370 nan 0.000 0.472 187 D N 2.628 123.090 120.400 0.103 0.000 2.149 187 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 187 D C 2.110 178.489 176.300 0.132 0.000 0.990 187 D CA 0.836 54.895 54.000 0.100 0.000 0.839 187 D CB 0.044 40.899 40.800 0.093 0.000 0.948 187 D HN 0.237 nan 8.370 nan 0.000 0.460 188 V N 0.860 120.874 119.914 0.166 0.000 2.370 188 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 188 V C 2.159 178.401 176.094 0.246 0.000 1.068 188 V CA 1.578 63.996 62.300 0.197 0.000 1.061 188 V CB -0.668 31.286 31.823 0.218 0.000 0.656 188 V HN 0.180 nan 8.190 nan 0.000 0.455 189 Y N 0.425 120.805 120.300 0.132 0.000 2.109 189 Y HA -0.172 4.378 4.550 -0.000 0.000 0.281 189 Y C 2.280 178.162 175.900 -0.031 0.000 1.113 189 Y CA 1.749 59.830 58.100 -0.032 0.000 1.098 189 Y CB -0.702 37.683 38.460 -0.125 0.000 0.996 189 Y HN 0.165 nan 8.280 nan 0.000 0.485 190 L N 1.164 122.387 121.223 -0.001 0.000 2.051 190 L HA -0.258 4.082 4.340 -0.000 0.000 0.214 190 L C 2.029 178.795 176.870 -0.174 0.000 1.076 190 L CA 2.520 57.292 54.840 -0.114 0.000 0.758 190 L CB -1.365 40.743 42.059 0.082 0.000 0.890 190 L HN 0.497 nan 8.230 nan 0.000 0.433 191 D N -0.539 119.840 120.400 -0.035 0.000 2.077 191 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 191 D C 2.120 178.409 176.300 -0.018 0.000 0.983 191 D CA 1.464 55.469 54.000 0.008 0.000 0.841 191 D CB -0.002 40.849 40.800 0.086 0.000 0.992 191 D HN 0.335 nan 8.370 nan 0.000 0.450 192 K N 0.272 120.675 120.400 0.006 0.000 2.059 192 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 192 K C 2.111 178.682 176.600 -0.049 0.000 1.050 192 K CA 1.362 57.660 56.287 0.017 0.000 0.927 192 K CB -0.237 32.321 32.500 0.097 0.000 0.714 192 K HN 0.219 nan 8.250 nan 0.000 0.447 193 E N 0.389 120.461 120.200 -0.213 0.000 2.463 193 E HA -0.126 4.224 4.350 -0.000 0.000 0.201 193 E C 1.622 178.196 176.600 -0.042 0.000 1.045 193 E CA 0.333 56.578 56.400 -0.258 0.000 0.872 193 E CB 0.080 29.366 29.700 -0.690 0.000 0.797 193 E HN 0.315 nan 8.360 nan 0.000 0.538 194 I N 0.151 120.737 120.570 0.027 0.000 2.429 194 I HA -0.152 4.018 4.170 -0.000 0.000 0.247 194 I C 1.909 178.102 176.117 0.128 0.000 1.099 194 I CA 0.614 62.053 61.300 0.232 0.000 1.422 194 I CB -0.082 38.017 38.000 0.165 0.000 1.112 194 I HN 0.068 nan 8.210 nan 0.000 0.430 195 E N 1.001 121.239 120.200 0.064 0.000 2.273 195 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 195 E C 1.718 178.347 176.600 0.048 0.000 1.002 195 E CA 0.830 57.258 56.400 0.048 0.000 0.828 195 E CB 0.038 29.762 29.700 0.041 0.000 0.747 195 E HN 0.252 nan 8.360 nan 0.000 0.491 196 K N 0.356 120.791 120.400 0.058 0.000 2.439 196 K HA 0.011 4.331 4.320 -0.000 0.000 0.197 196 K C 0.500 177.122 176.600 0.037 0.000 1.041 196 K CA 0.373 56.689 56.287 0.048 0.000 0.970 196 K CB 0.259 32.791 32.500 0.052 0.000 0.773 196 K HN -0.011 nan 8.250 nan 0.000 0.479 197 V N 0.038 119.982 119.914 0.050 0.000 3.096 197 V HA 0.319 4.439 4.120 -0.000 0.000 0.319 197 V C 0.056 176.145 176.094 -0.008 0.000 1.103 197 V CA -0.874 61.427 62.300 0.001 0.000 1.016 197 V CB 2.058 33.869 31.823 -0.019 0.000 1.090 197 V HN -0.113 nan 8.190 nan 0.000 0.449 198 T N 2.788 117.324 114.554 -0.029 0.000 2.809 198 T HA 0.643 4.993 4.350 -0.000 0.000 0.284 198 T C -0.542 174.131 174.700 -0.045 0.000 0.992 198 T CA -0.044 62.043 62.100 -0.022 0.000 0.957 198 T CB 0.632 69.497 68.868 -0.006 0.000 0.942 198 T HN 0.379 nan 8.240 nan 0.000 0.439 199 I N 3.015 123.558 120.570 -0.045 0.000 2.460 199 I HA 0.547 4.717 4.170 -0.000 0.000 0.298 199 I C 0.119 176.214 176.117 -0.037 0.000 0.989 199 I CA -0.670 60.596 61.300 -0.056 0.000 1.173 199 I CB 1.724 39.687 38.000 -0.062 0.000 1.338 199 I HN 0.572 nan 8.210 nan 0.000 0.456 200 E N 5.238 125.417 120.200 -0.035 0.000 2.321 200 E HA 0.596 4.946 4.350 -0.000 0.000 0.278 200 E C -1.463 175.129 176.600 -0.013 0.000 0.902 200 E CA -0.849 55.538 56.400 -0.023 0.000 0.758 200 E CB 2.067 31.752 29.700 -0.024 0.000 1.213 200 E HN 0.691 nan 8.360 nan 0.000 0.426 201 A N 3.919 126.737 122.820 -0.004 0.000 2.498 201 A HA 0.296 4.616 4.320 -0.000 0.000 0.239 201 A C 0.263 177.857 177.584 0.018 0.000 1.068 201 A CA -0.288 51.758 52.037 0.015 0.000 0.766 201 A CB 0.340 19.349 19.000 0.016 0.000 1.003 201 A HN 0.568 nan 8.150 nan 0.000 0.497 202 R N 0.893 121.415 120.500 0.037 0.000 2.649 202 R HA 0.171 4.511 4.340 -0.000 0.000 0.270 202 R C 0.369 176.681 176.300 0.019 0.000 1.105 202 R CA -0.230 55.884 56.100 0.023 0.000 1.193 202 R CB 0.190 30.507 30.300 0.028 0.000 1.120 202 R HN 0.725 nan 8.270 nan 0.000 0.561 203 K N 0.746 121.150 120.400 0.006 0.000 2.790 203 K HA 0.020 4.340 4.320 -0.000 0.000 0.229 203 K C 0.410 177.013 176.600 0.006 0.000 1.040 203 K CA 0.442 56.731 56.287 0.003 0.000 1.211 203 K CB 0.097 32.593 32.500 -0.007 0.000 1.002 203 K HN 0.564 nan 8.250 nan 0.000 0.479 204 S N -0.783 114.926 115.700 0.014 0.000 2.927 204 S HA 0.043 4.513 4.470 -0.000 0.000 0.246 204 S C -0.474 174.141 174.600 0.024 0.000 0.907 204 S CA -0.539 57.667 58.200 0.011 0.000 1.326 204 S CB -0.342 62.856 63.200 -0.002 0.000 1.216 204 S HN 0.458 nan 8.310 nan 0.000 0.652 205 N N 0.099 118.831 118.700 0.053 0.000 3.576 205 N HA 0.312 5.052 4.740 -0.000 0.000 0.264 205 N C -3.132 172.460 175.510 0.137 0.000 1.356 205 N CA -0.453 52.660 53.050 0.106 0.000 0.797 205 N CB -0.186 38.377 38.487 0.126 0.000 1.568 205 N HN -0.079 nan 8.380 nan 0.000 0.405 206 P HA 0.171 nan 4.420 nan 0.000 0.257 206 P C -0.538 176.811 177.300 0.083 0.000 1.241 206 P CA 0.398 63.554 63.100 0.094 0.000 0.816 206 P CB 0.015 31.731 31.700 0.027 0.000 1.150 207 Y N 4.028 124.328 120.300 0.001 0.000 2.729 207 Y HA 0.071 4.621 4.550 -0.000 0.000 0.331 207 Y C -1.317 174.580 175.900 -0.005 0.000 1.208 207 Y CA -2.345 55.755 58.100 0.001 0.000 1.521 207 Y CB -0.792 37.671 38.460 0.004 0.000 1.233 207 Y HN 0.105 nan 8.280 nan 0.000 0.539 208 P HA 0.003 nan 4.420 nan 0.000 0.268 208 P C -0.965 176.356 177.300 0.035 0.000 1.205 208 P CA -0.051 63.066 63.100 0.028 0.000 0.771 208 P CB 1.018 32.710 31.700 -0.013 0.000 0.858 209 Q N 1.296 121.095 119.800 -0.002 0.000 2.377 209 Q HA 0.447 4.787 4.340 -0.000 0.000 0.279 209 Q C -0.808 175.144 176.000 -0.080 0.000 1.049 209 Q CA -0.883 54.905 55.803 -0.026 0.000 0.825 209 Q CB 1.599 30.335 28.738 -0.002 0.000 1.401 209 Q HN 0.293 nan 8.270 nan 0.000 0.404 210 I N 1.144 121.617 120.570 -0.161 0.000 2.587 210 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 210 I C 0.990 177.082 176.117 -0.042 0.000 1.134 210 I CA 0.869 62.049 61.300 -0.200 0.000 1.410 210 I CB 0.997 38.647 38.000 -0.584 0.000 1.392 210 I HN 0.648 nan 8.210 nan 0.000 0.545 211 S N 4.136 119.826 115.700 -0.016 0.000 2.384 211 S HA 0.195 4.665 4.470 -0.000 0.000 0.217 211 S C 0.560 175.203 174.600 0.070 0.000 1.041 211 S CA 0.641 58.835 58.200 -0.010 0.000 0.948 211 S CB 0.225 63.410 63.200 -0.025 0.000 0.872 211 S HN 0.616 nan 8.310 nan 0.000 0.512 212 E N 0.963 121.238 120.200 0.125 0.000 2.263 212 E HA 0.449 4.799 4.350 -0.000 0.000 0.268 212 E C -1.693 174.981 176.600 0.123 0.000 0.884 212 E CA -0.172 56.346 56.400 0.196 0.000 0.766 212 E CB 1.847 31.590 29.700 0.071 0.000 1.196 212 E HN 0.188 nan 8.360 nan 0.000 0.416 213 S N 1.354 117.141 115.700 0.145 0.000 2.647 213 S HA 0.358 4.828 4.470 -0.000 0.000 0.300 213 S C -0.734 173.820 174.600 -0.077 0.000 1.129 213 S CA -0.642 57.453 58.200 -0.176 0.000 1.029 213 S CB 0.541 63.315 63.200 -0.710 0.000 1.007 213 S HN 0.323 nan 8.310 nan 0.000 0.484 214 S N 6.005 121.684 115.700 -0.035 0.000 3.170 214 S HA 0.469 4.939 4.470 -0.000 0.000 0.257 214 S C -0.460 174.119 174.600 -0.034 0.000 1.284 214 S CA -0.790 57.403 58.200 -0.013 0.000 0.973 214 S CB -0.072 63.135 63.200 0.012 0.000 1.330 214 S HN 0.631 nan 8.310 nan 0.000 0.493 215 L N 4.130 125.290 121.223 -0.104 0.000 2.298 215 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 215 L C -0.591 176.177 176.870 -0.170 0.000 1.013 215 L CA -0.439 54.321 54.840 -0.133 0.000 0.824 215 L CB 1.233 43.120 42.059 -0.286 0.000 1.221 215 L HN 0.665 nan 8.230 nan 0.000 0.418 216 L N 2.490 123.712 121.223 -0.001 0.000 2.333 216 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 216 L C 0.870 177.910 176.870 0.282 0.000 1.010 216 L CA -0.786 54.099 54.840 0.074 0.000 0.818 216 L CB 1.437 43.575 42.059 0.131 0.000 1.306 216 L HN 0.316 nan 8.230 nan 0.000 0.430 217 F N 0.451 120.588 119.950 0.311 0.000 2.161 217 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 217 F C 2.305 178.354 175.800 0.415 0.000 1.089 217 F CA 1.359 59.682 58.000 0.539 0.000 1.282 217 F CB -0.416 38.767 39.000 0.305 0.000 1.010 217 F HN 0.515 nan 8.300 nan 0.000 0.485 218 K N 0.290 120.945 120.400 0.426 0.000 2.097 218 K HA -0.280 4.040 4.320 -0.000 0.000 0.214 218 K C 1.693 178.430 176.600 0.227 0.000 1.052 218 K CA 2.009 58.447 56.287 0.253 0.000 0.932 218 K CB -0.649 31.952 32.500 0.168 0.000 0.716 218 K HN 0.289 nan 8.250 nan 0.000 0.455 219 D N 0.429 120.973 120.400 0.239 0.000 2.192 219 D HA -0.250 4.390 4.640 -0.000 0.000 0.189 219 D C 1.875 178.285 176.300 0.183 0.000 1.007 219 D CA 1.868 55.996 54.000 0.214 0.000 0.859 219 D CB -0.259 40.677 40.800 0.227 0.000 0.936 219 D HN 0.336 nan 8.370 nan 0.000 0.447 220 A N 1.024 123.890 122.820 0.076 0.000 1.933 220 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 220 A C 2.507 179.992 177.584 -0.165 0.000 1.175 220 A CA 0.916 52.779 52.037 -0.290 0.000 0.628 220 A CB -0.813 17.716 19.000 -0.785 0.000 0.814 220 A HN 0.233 nan 8.150 nan 0.000 0.444 221 L N -0.172 121.063 121.223 0.019 0.000 2.030 221 L HA -0.356 3.984 4.340 -0.000 0.000 0.222 221 L C 2.251 179.207 176.870 0.143 0.000 1.082 221 L CA 2.038 56.929 54.840 0.085 0.000 0.785 221 L CB -1.021 41.099 42.059 0.102 0.000 0.895 221 L HN 0.419 nan 8.230 nan 0.000 0.439 222 D N -0.628 119.825 120.400 0.089 0.000 2.133 222 D HA -0.219 4.421 4.640 -0.000 0.000 0.195 222 D C 1.858 178.049 176.300 -0.182 0.000 0.997 222 D CA 1.663 55.627 54.000 -0.060 0.000 0.840 222 D CB -0.368 40.309 40.800 -0.204 0.000 0.947 222 D HN 0.439 nan 8.370 nan 0.000 0.452 223 Y N 0.085 120.255 120.300 -0.217 0.000 2.619 223 Y HA 0.126 4.676 4.550 -0.000 0.000 0.308 223 Y C 1.253 177.043 175.900 -0.182 0.000 1.192 223 Y CA 0.203 58.145 58.100 -0.263 0.000 1.319 223 Y CB -0.619 37.485 38.460 -0.593 0.000 1.030 223 Y HN -0.083 nan 8.280 nan 0.000 0.517 224 M N -0.755 118.847 119.600 0.002 0.000 2.796 224 M HA 0.370 4.850 4.480 -0.000 0.000 0.303 224 M C -0.495 175.820 176.300 0.025 0.000 1.240 224 M CA -0.834 54.495 55.300 0.049 0.000 0.831 224 M CB 2.066 34.710 32.600 0.073 0.000 1.750 224 M HN -0.088 nan 8.290 nan 0.000 0.484 225 E N 0.552 120.757 120.200 0.008 0.000 2.191 225 E HA 0.245 4.595 4.350 -0.000 0.000 0.278 225 E C -0.354 176.121 176.600 -0.208 0.000 0.972 225 E CA -0.498 55.848 56.400 -0.090 0.000 0.804 225 E CB 1.569 31.242 29.700 -0.045 0.000 1.110 225 E HN 0.487 nan 8.360 nan 0.000 0.394 226 K N 0.840 120.965 120.400 -0.457 0.000 2.589 226 K HA -0.090 4.230 4.320 -0.000 0.000 0.195 226 K C 1.107 177.564 176.600 -0.239 0.000 1.040 226 K CA 0.882 56.725 56.287 -0.741 0.000 0.950 226 K CB -0.076 32.037 32.500 -0.646 0.000 0.781 226 K HN 0.390 nan 8.250 nan 0.000 0.486 227 T N 0.459 114.960 114.554 -0.088 0.000 2.983 227 T HA -0.049 4.301 4.350 -0.000 0.000 0.250 227 T C 0.964 175.711 174.700 0.079 0.000 1.037 227 T CA 0.320 62.423 62.100 0.005 0.000 1.142 227 T CB 0.109 68.974 68.868 -0.005 0.000 0.876 227 T HN 0.348 nan 8.240 nan 0.000 0.455 228 S N 2.323 118.082 115.700 0.098 0.000 2.568 228 S HA 0.073 4.543 4.470 -0.000 0.000 0.282 228 S C 1.668 176.385 174.600 0.194 0.000 1.338 228 S CA -0.020 58.259 58.200 0.132 0.000 1.045 228 S CB 0.895 64.171 63.200 0.127 0.000 0.873 228 S HN 0.429 nan 8.310 nan 0.000 0.516 229 S N 1.001 116.802 115.700 0.169 0.000 2.440 229 S HA -0.211 4.259 4.470 -0.000 0.000 0.238 229 S C 0.935 175.673 174.600 0.230 0.000 1.010 229 S CA 1.430 59.745 58.200 0.191 0.000 0.972 229 S CB -0.814 62.472 63.200 0.143 0.000 0.774 229 S HN 0.816 nan 8.310 nan 0.000 0.501 230 D N 0.798 121.342 120.400 0.239 0.000 2.095 230 D HA -0.142 4.498 4.640 -0.000 0.000 0.192 230 D C 1.605 178.147 176.300 0.404 0.000 0.990 230 D CA 1.651 55.843 54.000 0.321 0.000 0.836 230 D CB -0.453 40.492 40.800 0.242 0.000 0.979 230 D HN 0.427 nan 8.370 nan 0.000 0.447 231 Y N 1.519 121.939 120.300 0.201 0.000 2.173 231 Y HA -0.331 4.219 4.550 -0.000 0.000 0.282 231 Y C 1.800 177.858 175.900 0.264 0.000 1.192 231 Y CA 1.585 59.805 58.100 0.200 0.000 1.176 231 Y CB -0.266 38.279 38.460 0.141 0.000 0.969 231 Y HN 0.007 nan 8.280 nan 0.000 0.519 232 N N 0.168 119.084 118.700 0.359 0.000 2.048 232 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 232 N C 1.925 177.515 175.510 0.134 0.000 1.061 232 N CA 1.449 54.697 53.050 0.330 0.000 0.849 232 N CB -1.193 37.555 38.487 0.436 0.000 1.044 232 N HN 0.405 nan 8.380 nan 0.000 0.429 233 L N 0.012 121.309 121.223 0.123 0.000 2.085 233 L HA -0.217 4.123 4.340 -0.000 0.000 0.218 233 L C 1.950 178.709 176.870 -0.186 0.000 1.080 233 L CA 1.783 56.566 54.840 -0.096 0.000 0.776 233 L CB -0.466 41.456 42.059 -0.229 0.000 0.891 233 L HN 0.287 nan 8.230 nan 0.000 0.437 234 W N -0.467 120.786 121.300 -0.078 0.000 2.452 234 W HA -0.091 4.569 4.660 -0.000 0.000 0.313 234 W C 2.729 179.140 176.519 -0.179 0.000 1.176 234 W CA 1.309 58.658 57.345 0.007 0.000 1.350 234 W CB -0.670 28.835 29.460 0.075 0.000 1.148 234 W HN -0.039 nan 8.180 nan 0.000 0.498 235 K N 0.680 121.013 120.400 -0.112 0.000 2.281 235 K HA -0.192 4.128 4.320 -0.000 0.000 0.203 235 K C 1.833 178.167 176.600 -0.443 0.000 1.046 235 K CA 1.264 57.360 56.287 -0.318 0.000 0.938 235 K CB -0.633 31.565 32.500 -0.504 0.000 0.737 235 K HN 0.117 nan 8.250 nan 0.000 0.458 236 L N -0.047 120.854 121.223 -0.537 0.000 2.023 236 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 236 L C 1.780 178.297 176.870 -0.590 0.000 1.073 236 L CA 1.921 56.287 54.840 -0.790 0.000 0.745 236 L CB -0.789 40.841 42.059 -0.715 0.000 0.900 236 L HN 0.164 nan 8.230 nan 0.000 0.435 237 S N -0.937 114.462 115.700 -0.503 0.000 2.383 237 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 237 S C 2.039 176.392 174.600 -0.411 0.000 1.026 237 S CA 1.294 59.172 58.200 -0.535 0.000 0.981 237 S CB -0.742 61.635 63.200 -1.372 0.000 0.818 237 S HN 0.658 nan 8.310 nan 0.000 0.472 238 S N 0.727 116.249 115.700 -0.297 0.000 2.488 238 S HA -0.022 4.448 4.470 -0.000 0.000 0.246 238 S C 1.416 175.950 174.600 -0.110 0.000 0.992 238 S CA 0.773 58.950 58.200 -0.038 0.000 0.963 238 S CB -0.455 62.758 63.200 0.021 0.000 0.754 238 S HN 0.521 nan 8.310 nan 0.000 0.519 239 I N -0.392 120.020 120.570 -0.265 0.000 3.136 239 I HA 0.090 4.260 4.170 -0.000 0.000 0.262 239 I C 2.057 177.939 176.117 -0.391 0.000 1.132 239 I CA 0.224 61.345 61.300 -0.299 0.000 1.450 239 I CB -0.253 37.510 38.000 -0.396 0.000 1.315 239 I HN 0.207 nan 8.210 nan 0.000 0.460 240 L N 0.200 121.058 121.223 -0.608 0.000 2.083 240 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 240 L C 2.129 178.493 176.870 -0.843 0.000 1.083 240 L CA 1.933 56.165 54.840 -1.014 0.000 0.752 240 L CB -0.360 40.867 42.059 -1.388 0.000 0.899 240 L HN 0.236 nan 8.230 nan 0.000 0.433 241 F N -2.120 117.715 119.950 -0.193 0.000 2.577 241 F HA 0.152 4.679 4.527 -0.000 0.000 0.276 241 F C 0.839 176.661 175.800 0.036 0.000 1.032 241 F CA -0.921 57.070 58.000 -0.015 0.000 1.297 241 F CB -0.183 38.837 39.000 0.035 0.000 1.061 241 F HN -0.184 nan 8.300 nan 0.000 0.680 242 D N 4.152 124.693 120.400 0.234 0.000 2.533 242 D HA 0.035 4.675 4.640 -0.000 0.000 0.236 242 D C -2.173 174.182 176.300 0.092 0.000 1.137 242 D CA -0.886 53.226 54.000 0.187 0.000 0.867 242 D CB 0.222 41.126 40.800 0.174 0.000 1.170 242 D HN 0.009 nan 8.370 nan 0.000 0.474 243 P HA 0.001 nan 4.420 nan 0.000 0.268 243 P C -0.347 176.971 177.300 0.029 0.000 1.204 243 P CA -0.232 62.900 63.100 0.053 0.000 0.768 243 P CB 0.794 32.526 31.700 0.054 0.000 0.842 244 V N 3.016 122.945 119.914 0.025 0.000 2.837 244 V HA 0.576 4.696 4.120 -0.000 0.000 0.310 244 V C 0.545 176.654 176.094 0.024 0.000 1.059 244 V CA -0.063 62.248 62.300 0.018 0.000 1.004 244 V CB 1.464 33.301 31.823 0.024 0.000 1.045 244 V HN 0.878 nan 8.190 nan 0.000 0.465 245 S N 1.405 117.106 115.700 0.001 0.000 2.542 245 S HA 0.524 4.994 4.470 -0.000 0.000 0.276 245 S C -1.017 173.535 174.600 -0.080 0.000 1.148 245 S CA -1.000 57.179 58.200 -0.034 0.000 0.886 245 S CB 0.754 63.853 63.200 -0.169 0.000 1.109 245 S HN 0.859 nan 8.310 nan 0.000 0.458 246 Y N 1.068 121.385 120.300 0.028 0.000 2.597 246 Y HA 0.535 5.085 4.550 -0.000 0.000 0.336 246 Y C -1.585 174.325 175.900 0.017 0.000 1.216 246 Y CA -1.209 56.918 58.100 0.046 0.000 1.463 246 Y CB -0.243 38.253 38.460 0.060 0.000 1.303 246 Y HN 0.498 nan 8.280 nan 0.000 0.576 247 P HA 0.065 nan 4.420 nan 0.000 0.236 247 P C -0.360 176.811 177.300 -0.216 0.000 1.174 247 P CA 0.626 63.566 63.100 -0.267 0.000 0.840 247 P CB 0.438 31.947 31.700 -0.318 0.000 0.947 248 Y N 1.589 121.985 120.300 0.160 0.000 2.421 248 Y HA 0.241 4.791 4.550 -0.000 0.000 0.366 248 Y C 1.856 177.949 175.900 0.321 0.000 1.360 248 Y CA -0.301 57.902 58.100 0.173 0.000 1.663 248 Y CB 0.318 38.846 38.460 0.114 0.000 1.677 248 Y HN -0.251 nan 8.280 nan 0.000 0.584 249 K N -0.339 120.283 120.400 0.369 0.000 2.861 249 K HA 0.280 4.600 4.320 -0.000 0.000 0.210 249 K C -0.846 175.785 176.600 0.052 0.000 1.112 249 K CA -0.170 56.267 56.287 0.249 0.000 1.076 249 K CB -0.060 32.557 32.500 0.195 0.000 0.853 249 K HN 0.409 nan 8.250 nan 0.000 0.463 250 T N 1.677 116.248 114.554 0.029 0.000 2.930 250 T HA 0.043 4.393 4.350 -0.000 0.000 0.306 250 T C -0.249 174.349 174.700 -0.172 0.000 1.045 250 T CA 0.167 62.238 62.100 -0.049 0.000 1.134 250 T CB 0.685 69.541 68.868 -0.019 0.000 0.961 250 T HN 0.264 nan 8.240 nan 0.000 0.545 251 D N 2.701 123.027 120.400 -0.124 0.000 2.980 251 D HA 0.140 4.780 4.640 -0.000 0.000 0.333 251 D C -0.376 175.865 176.300 -0.097 0.000 1.356 251 D CA -0.397 53.518 54.000 -0.143 0.000 0.847 251 D CB 0.135 40.874 40.800 -0.103 0.000 1.122 251 D HN 0.308 nan 8.370 nan 0.000 0.475 252 N N 1.496 120.144 118.700 -0.086 0.000 2.609 252 N HA 0.064 4.804 4.740 -0.000 0.000 0.234 252 N C 0.655 176.132 175.510 -0.055 0.000 1.001 252 N CA -0.311 52.705 53.050 -0.056 0.000 0.926 252 N CB 1.746 40.209 38.487 -0.040 0.000 1.130 252 N HN -0.063 nan 8.380 nan 0.000 0.510 253 D N 0.829 121.198 120.400 -0.052 0.000 2.203 253 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 253 D C 1.367 177.652 176.300 -0.024 0.000 0.997 253 D CA 1.341 55.317 54.000 -0.041 0.000 0.863 253 D CB 0.270 41.052 40.800 -0.031 0.000 0.928 253 D HN 0.583 nan 8.370 nan 0.000 0.458 254 Q N 0.030 119.819 119.800 -0.020 0.000 2.364 254 Q HA -0.066 4.274 4.340 -0.000 0.000 0.207 254 Q C 1.747 177.742 176.000 -0.008 0.000 0.970 254 Q CA 0.547 56.343 55.803 -0.010 0.000 0.888 254 Q CB 0.393 29.125 28.738 -0.010 0.000 0.951 254 Q HN 0.130 nan 8.270 nan 0.000 0.469 255 V N -0.079 119.827 119.914 -0.014 0.000 2.490 255 V HA -0.112 4.008 4.120 -0.000 0.000 0.238 255 V C 2.072 178.165 176.094 -0.003 0.000 1.056 255 V CA 1.271 63.566 62.300 -0.008 0.000 1.075 255 V CB -0.269 31.546 31.823 -0.014 0.000 0.746 255 V HN 0.234 nan 8.190 nan 0.000 0.479 256 K N -0.397 119.989 120.400 -0.023 0.000 2.218 256 K HA -0.220 4.100 4.320 -0.000 0.000 0.205 256 K C 2.086 178.698 176.600 0.020 0.000 1.046 256 K CA 1.600 57.877 56.287 -0.016 0.000 0.933 256 K CB -0.078 32.358 32.500 -0.107 0.000 0.728 256 K HN 0.226 nan 8.250 nan 0.000 0.454 257 M N -0.349 119.256 119.600 0.009 0.000 2.349 257 M HA -0.004 4.476 4.480 -0.000 0.000 0.266 257 M C 2.023 178.341 176.300 0.031 0.000 1.076 257 M CA 0.987 56.301 55.300 0.023 0.000 1.126 257 M CB -0.281 32.327 32.600 0.012 0.000 1.392 257 M HN 0.248 nan 8.290 nan 0.000 0.440 258 A N -0.777 122.058 122.820 0.025 0.000 2.132 258 A HA 0.114 4.434 4.320 -0.000 0.000 0.213 258 A C 2.143 179.748 177.584 0.035 0.000 1.154 258 A CA 0.349 52.402 52.037 0.028 0.000 0.753 258 A CB -0.302 18.709 19.000 0.017 0.000 0.826 258 A HN 0.396 nan 8.150 nan 0.000 0.469 259 L N -0.556 120.692 121.223 0.042 0.000 2.102 259 L HA -0.030 4.310 4.340 -0.000 0.000 0.202 259 L C 2.310 179.220 176.870 0.066 0.000 1.076 259 L CA 0.818 55.691 54.840 0.054 0.000 0.761 259 L CB -0.377 41.723 42.059 0.070 0.000 0.921 259 L HN 0.370 nan 8.230 nan 0.000 0.444 260 L N 0.013 121.281 121.223 0.075 0.000 2.141 260 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 260 L C 2.568 179.477 176.870 0.065 0.000 1.094 260 L CA 1.021 55.906 54.840 0.075 0.000 0.763 260 L CB -0.716 41.393 42.059 0.085 0.000 0.908 260 L HN 0.260 nan 8.230 nan 0.000 0.437 261 K N 1.499 121.937 120.400 0.063 0.000 2.152 261 K HA -0.241 4.079 4.320 -0.000 0.000 0.206 261 K C 2.047 178.703 176.600 0.094 0.000 1.048 261 K CA 1.831 58.161 56.287 0.071 0.000 0.933 261 K CB -0.100 32.438 32.500 0.063 0.000 0.721 261 K HN 0.166 nan 8.250 nan 0.000 0.447 262 K N 0.091 120.537 120.400 0.078 0.000 2.276 262 K HA 0.026 4.346 4.320 -0.000 0.000 0.198 262 K C 1.992 178.647 176.600 0.092 0.000 1.052 262 K CA 0.597 56.935 56.287 0.085 0.000 0.984 262 K CB 0.049 32.561 32.500 0.020 0.000 0.836 262 K HN 0.303 nan 8.250 nan 0.000 0.490 263 E N 0.713 120.954 120.200 0.068 0.000 2.160 263 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 263 E C 1.976 178.605 176.600 0.049 0.000 0.991 263 E CA 1.007 57.441 56.400 0.058 0.000 0.810 263 E CB 0.137 29.869 29.700 0.053 0.000 0.742 263 E HN 0.184 nan 8.360 nan 0.000 0.466 264 R N -0.579 119.949 120.500 0.047 0.000 2.093 264 R HA -0.126 4.214 4.340 -0.000 0.000 0.224 264 R C 2.609 178.917 176.300 0.013 0.000 1.101 264 R CA 1.073 57.173 56.100 0.000 0.000 0.979 264 R CB -0.250 30.040 30.300 -0.018 0.000 0.877 264 R HN 0.292 nan 8.270 nan 0.000 0.441 265 H N 0.353 119.411 119.070 -0.021 0.000 2.290 265 H HA -0.162 4.394 4.556 -0.000 0.000 0.298 265 H C 1.913 177.229 175.328 -0.020 0.000 1.087 265 H CA 2.159 58.195 56.048 -0.019 0.000 1.291 265 H CB -0.347 29.414 29.762 -0.002 0.000 1.369 265 H HN 0.299 nan 8.280 nan 0.000 0.492 266 C N 1.392 120.827 119.300 0.224 0.000 2.418 266 C HA -0.094 4.366 4.460 -0.000 0.000 0.280 266 C C 2.948 177.988 174.990 0.084 0.000 1.223 266 C CA 0.601 59.707 59.018 0.147 0.000 1.736 266 C CB -0.855 26.937 27.740 0.086 0.000 2.056 266 C HN 0.573 nan 8.230 nan 0.000 0.459 267 R N 0.361 120.891 120.500 0.050 0.000 2.178 267 R HA -0.223 4.117 4.340 -0.000 0.000 0.257 267 R C 1.984 178.302 176.300 0.030 0.000 1.163 267 R CA 1.649 57.765 56.100 0.027 0.000 0.981 267 R CB -1.096 29.194 30.300 -0.017 0.000 0.878 267 R HN 0.618 nan 8.270 nan 0.000 0.454 268 L N 0.249 121.461 121.223 -0.019 0.000 2.044 268 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 268 L C 2.163 179.105 176.870 0.120 0.000 1.075 268 L CA 1.860 56.692 54.840 -0.014 0.000 0.747 268 L CB -0.406 41.555 42.059 -0.164 0.000 0.903 268 L HN 0.154 nan 8.230 nan 0.000 0.435 269 T N -2.107 112.476 114.554 0.047 0.000 2.737 269 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 269 T C 1.923 176.662 174.700 0.066 0.000 1.038 269 T CA 1.378 63.502 62.100 0.039 0.000 1.144 269 T CB -0.669 68.212 68.868 0.021 0.000 0.866 269 T HN 0.304 nan 8.240 nan 0.000 0.434 270 S N 0.415 116.164 115.700 0.082 0.000 2.441 270 S HA -0.140 4.330 4.470 -0.000 0.000 0.242 270 S C 1.427 176.103 174.600 0.125 0.000 1.018 270 S CA 1.302 59.549 58.200 0.079 0.000 0.988 270 S CB -0.427 62.821 63.200 0.081 0.000 0.778 270 S HN 0.727 nan 8.310 nan 0.000 0.498 271 W N 1.821 123.107 121.300 -0.024 0.000 2.539 271 W HA 0.175 4.835 4.660 0.000 0.000 0.299 271 W C 1.573 178.083 176.519 -0.015 0.000 1.165 271 W CA 0.407 57.746 57.345 -0.010 0.000 1.400 271 W CB -0.474 28.978 29.460 -0.013 0.000 1.123 271 W HN 0.135 nan 8.180 nan 0.000 0.533 272 I N 0.984 121.521 120.570 -0.055 0.000 2.423 272 I HA -0.301 3.869 4.170 -0.000 0.000 0.254 272 I C 1.950 177.877 176.117 -0.317 0.000 1.151 272 I CA 1.169 62.251 61.300 -0.364 0.000 1.421 272 I CB -1.014 36.897 38.000 -0.149 0.000 1.079 272 I HN -0.139 nan 8.210 nan 0.000 0.431 273 V N 0.037 119.842 119.914 -0.182 0.000 2.594 273 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 273 V C 2.173 178.159 176.094 -0.179 0.000 1.069 273 V CA 1.839 64.046 62.300 -0.155 0.000 1.082 273 V CB -0.487 31.280 31.823 -0.092 0.000 0.680 273 V HN 0.370 nan 8.190 nan 0.000 0.469 274 S N -0.995 114.577 115.700 -0.214 0.000 2.593 274 S HA 0.025 4.495 4.470 -0.000 0.000 0.217 274 S C 1.738 176.171 174.600 -0.279 0.000 0.966 274 S CA 0.276 58.358 58.200 -0.197 0.000 0.914 274 S CB 0.052 63.179 63.200 -0.122 0.000 0.776 274 S HN 0.551 nan 8.310 nan 0.000 0.523 275 Q N 0.269 119.830 119.800 -0.398 0.000 2.471 275 Q HA 0.331 4.671 4.340 -0.000 0.000 0.241 275 Q C 1.555 177.404 176.000 -0.252 0.000 0.886 275 Q CA 0.501 56.072 55.803 -0.388 0.000 0.953 275 Q CB 0.066 28.416 28.738 -0.648 0.000 1.108 275 Q HN 0.504 nan 8.270 nan 0.000 0.575 276 I N 0.882 121.305 120.570 -0.245 0.000 3.684 276 I HA 0.007 4.177 4.170 -0.000 0.000 0.304 276 I C 1.890 177.926 176.117 -0.136 0.000 1.278 276 I CA 0.310 61.509 61.300 -0.169 0.000 1.272 276 I CB -0.342 37.558 38.000 -0.166 0.000 1.029 276 I HN 0.104 nan 8.210 nan 0.000 0.458 277 G N 3.420 112.132 108.800 -0.145 0.000 2.777 277 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 277 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 277 G C -0.197 174.645 174.900 -0.097 0.000 1.295 277 G CA 1.180 46.207 45.100 -0.121 0.000 0.800 277 G HN 0.270 nan 8.290 nan 0.000 0.637 278 P HA -0.127 nan 4.420 nan 0.000 0.215 278 P C 1.515 178.779 177.300 -0.061 0.000 1.153 278 P CA 1.804 64.867 63.100 -0.062 0.000 0.853 278 P CB -0.160 31.509 31.700 -0.051 0.000 0.788 279 E N -0.404 119.757 120.200 -0.066 0.000 2.114 279 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 279 E C 1.933 178.498 176.600 -0.058 0.000 1.008 279 E CA 1.327 57.690 56.400 -0.062 0.000 0.810 279 E CB -0.189 29.474 29.700 -0.062 0.000 0.739 279 E HN 0.258 nan 8.360 nan 0.000 0.456 280 I N -0.870 119.667 120.570 -0.056 0.000 3.194 280 I HA -0.057 4.113 4.170 -0.000 0.000 0.271 280 I C 2.260 178.346 176.117 -0.051 0.000 1.150 280 I CA 0.082 61.359 61.300 -0.038 0.000 1.440 280 I CB -0.281 37.700 38.000 -0.031 0.000 1.276 280 I HN 0.059 nan 8.210 nan 0.000 0.457 281 E N 1.230 121.379 120.200 -0.086 0.000 2.169 281 E HA -0.319 4.031 4.350 -0.000 0.000 0.202 281 E C 2.044 178.621 176.600 -0.038 0.000 1.016 281 E CA 1.859 58.204 56.400 -0.092 0.000 0.817 281 E CB 0.055 29.698 29.700 -0.094 0.000 0.736 281 E HN 0.348 nan 8.360 nan 0.000 0.462 282 E N 0.890 121.071 120.200 -0.033 0.000 2.170 282 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 282 E C 1.769 178.364 176.600 -0.007 0.000 0.981 282 E CA 0.777 57.167 56.400 -0.017 0.000 0.830 282 E CB -0.024 29.661 29.700 -0.025 0.000 0.775 282 E HN 0.076 nan 8.360 nan 0.000 0.470 283 K N 0.519 120.911 120.400 -0.014 0.000 2.515 283 K HA -0.011 4.309 4.320 -0.000 0.000 0.196 283 K C 1.874 178.495 176.600 0.035 0.000 1.038 283 K CA 0.461 56.743 56.287 -0.008 0.000 0.967 283 K CB 0.003 32.483 32.500 -0.033 0.000 0.780 283 K HN 0.191 nan 8.250 nan 0.000 0.483 284 I N 0.165 120.765 120.570 0.051 0.000 3.228 284 I HA -0.074 4.096 4.170 -0.000 0.000 0.279 284 I C 1.535 177.700 176.117 0.080 0.000 1.221 284 I CA 0.208 61.566 61.300 0.098 0.000 1.458 284 I CB 0.094 38.191 38.000 0.161 0.000 1.105 284 I HN 0.059 nan 8.210 nan 0.000 0.445 285 R N 0.763 121.294 120.500 0.052 0.000 2.328 285 R HA -0.064 4.276 4.340 -0.000 0.000 0.207 285 R C 1.158 177.479 176.300 0.034 0.000 1.056 285 R CA 0.694 56.818 56.100 0.041 0.000 1.016 285 R CB -0.438 29.877 30.300 0.025 0.000 0.872 285 R HN 0.297 nan 8.270 nan 0.000 0.471 286 N N -0.234 118.487 118.700 0.035 0.000 2.412 286 N HA 0.033 4.773 4.740 -0.000 0.000 0.184 286 N C -0.636 174.897 175.510 0.038 0.000 1.101 286 N CA 0.447 53.515 53.050 0.030 0.000 0.881 286 N CB 0.783 39.283 38.487 0.021 0.000 0.969 286 N HN -0.072 nan 8.380 nan 0.000 0.459 287 S N -0.860 114.869 115.700 0.048 0.000 2.707 287 S HA 0.190 4.660 4.470 -0.000 0.000 0.312 287 S C 0.308 174.931 174.600 0.039 0.000 1.116 287 S CA -0.635 57.594 58.200 0.048 0.000 1.078 287 S CB 1.690 64.930 63.200 0.067 0.000 0.997 287 S HN -0.034 nan 8.310 nan 0.000 0.477 288 S N 2.858 118.578 115.700 0.033 0.000 2.906 288 S HA 0.105 4.575 4.470 -0.000 0.000 0.234 288 S C 0.288 174.905 174.600 0.029 0.000 0.973 288 S CA -0.132 58.084 58.200 0.026 0.000 1.036 288 S CB -0.632 62.582 63.200 0.022 0.000 0.798 288 S HN 0.602 nan 8.310 nan 0.000 0.498 289 N N 1.366 120.088 118.700 0.036 0.000 2.682 289 N HA 0.203 4.943 4.740 -0.000 0.000 0.252 289 N C 0.468 176.001 175.510 0.039 0.000 1.081 289 N CA -0.331 52.743 53.050 0.040 0.000 0.844 289 N CB 0.995 39.512 38.487 0.050 0.000 1.167 289 N HN 0.231 nan 8.380 nan 0.000 0.523 290 E N 2.027 122.241 120.200 0.024 0.000 2.110 290 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 290 E C 1.307 177.915 176.600 0.013 0.000 0.988 290 E CA 1.106 57.511 56.400 0.007 0.000 0.804 290 E CB 0.292 29.987 29.700 -0.007 0.000 0.745 290 E HN 0.638 nan 8.360 nan 0.000 0.458 291 I N 1.188 121.775 120.570 0.028 0.000 2.286 291 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 291 I C 2.615 178.770 176.117 0.063 0.000 1.115 291 I CA 1.165 62.484 61.300 0.033 0.000 1.392 291 I CB -0.207 37.816 38.000 0.039 0.000 1.065 291 I HN 0.136 nan 8.210 nan 0.000 0.418 292 E N 0.689 120.939 120.200 0.083 0.000 2.107 292 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 292 E C 2.198 178.907 176.600 0.181 0.000 0.982 292 E CA 0.870 57.358 56.400 0.148 0.000 0.809 292 E CB 0.089 29.869 29.700 0.135 0.000 0.756 292 E HN 0.519 nan 8.360 nan 0.000 0.459 293 Q N 0.356 120.224 119.800 0.113 0.000 2.096 293 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 293 Q C 2.351 178.419 176.000 0.112 0.000 0.982 293 Q CA 1.572 57.440 55.803 0.108 0.000 0.850 293 Q CB -0.126 28.623 28.738 0.018 0.000 0.901 293 Q HN 0.416 nan 8.270 nan 0.000 0.422 294 I N 0.184 120.781 120.570 0.045 0.000 2.069 294 I HA -0.310 3.860 4.170 -0.000 0.000 0.237 294 I C 2.270 178.472 176.117 0.142 0.000 1.053 294 I CA 1.371 62.691 61.300 0.034 0.000 1.311 294 I CB -0.537 37.459 38.000 -0.005 0.000 1.030 294 I HN 0.197 nan 8.210 nan 0.000 0.398 295 F N 1.738 121.687 119.950 -0.002 0.000 2.184 295 F HA -0.244 4.283 4.527 -0.000 0.000 0.301 295 F C 2.157 177.984 175.800 0.045 0.000 1.076 295 F CA 1.610 59.601 58.000 -0.015 0.000 1.295 295 F CB -0.354 38.621 39.000 -0.041 0.000 1.026 295 F HN -0.038 nan 8.300 nan 0.000 0.494 296 L N -1.682 119.538 121.223 -0.005 0.000 2.240 296 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 296 L C 1.991 178.863 176.870 0.003 0.000 1.106 296 L CA 0.755 55.560 54.840 -0.059 0.000 0.793 296 L CB -0.763 41.371 42.059 0.125 0.000 0.927 296 L HN 0.113 nan 8.230 nan 0.000 0.446 297 Y N -0.078 120.175 120.300 -0.078 0.000 2.395 297 Y HA -0.075 4.475 4.550 -0.000 0.000 0.293 297 Y C 2.292 178.156 175.900 -0.060 0.000 1.123 297 Y CA 0.771 58.839 58.100 -0.053 0.000 1.227 297 Y CB -0.045 38.398 38.460 -0.028 0.000 1.012 297 Y HN 0.049 nan 8.280 nan 0.000 0.552 298 L N -1.200 120.053 121.223 0.050 0.000 2.072 298 L HA -0.212 4.128 4.340 -0.000 0.000 0.205 298 L C 2.222 179.107 176.870 0.026 0.000 1.079 298 L CA 0.908 55.767 54.840 0.031 0.000 0.752 298 L CB -0.557 41.480 42.059 -0.037 0.000 0.906 298 L HN 0.211 nan 8.230 nan 0.000 0.436 299 L N -0.183 120.947 121.223 -0.155 0.000 2.129 299 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 299 L C 1.805 178.607 176.870 -0.112 0.000 1.087 299 L CA 1.067 55.802 54.840 -0.175 0.000 0.757 299 L CB -0.095 41.773 42.059 -0.318 0.000 0.896 299 L HN 0.302 nan 8.230 nan 0.000 0.434 300 L N -0.250 120.903 121.223 -0.115 0.000 2.672 300 L HA 0.058 4.398 4.340 -0.000 0.000 0.236 300 L C 0.835 177.656 176.870 -0.081 0.000 1.186 300 L CA -0.140 54.623 54.840 -0.129 0.000 0.977 300 L CB -0.718 41.220 42.059 -0.201 0.000 1.203 300 L HN 0.381 nan 8.230 nan 0.000 0.448 301 N N 1.437 120.120 118.700 -0.028 0.000 2.681 301 N HA -0.255 4.485 4.740 -0.000 0.000 0.250 301 N C 0.199 175.724 175.510 0.026 0.000 1.133 301 N CA 0.803 53.859 53.050 0.011 0.000 0.732 301 N CB -0.969 37.488 38.487 -0.050 0.000 1.107 301 N HN 0.418 nan 8.380 nan 0.000 0.559 302 D N 0.399 120.810 120.400 0.018 0.000 2.524 302 D HA 0.216 4.856 4.640 -0.000 0.000 0.222 302 D C 1.205 177.561 176.300 0.093 0.000 1.142 302 D CA -0.318 53.702 54.000 0.034 0.000 0.973 302 D CB 0.372 41.158 40.800 -0.022 0.000 1.025 302 D HN 0.053 nan 8.370 nan 0.000 0.519 303 V N 2.959 122.916 119.914 0.072 0.000 2.427 303 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 303 V C 2.380 178.500 176.094 0.042 0.000 1.051 303 V CA 1.021 63.354 62.300 0.055 0.000 1.048 303 V CB 0.176 32.023 31.823 0.039 0.000 0.666 303 V HN 0.421 nan 8.190 nan 0.000 0.456 304 V N -0.155 119.787 119.914 0.047 0.000 2.307 304 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 304 V C 2.408 178.534 176.094 0.053 0.000 1.045 304 V CA 1.994 64.315 62.300 0.036 0.000 1.024 304 V CB -0.739 31.103 31.823 0.033 0.000 0.651 304 V HN 0.446 nan 8.190 nan 0.000 0.449 305 R N -0.207 120.366 120.500 0.122 0.000 2.275 305 R HA 0.140 4.480 4.340 -0.000 0.000 0.199 305 R C 2.121 178.448 176.300 0.046 0.000 0.989 305 R CA 0.888 57.079 56.100 0.153 0.000 1.016 305 R CB -0.236 30.296 30.300 0.386 0.000 0.918 305 R HN 0.526 nan 8.270 nan 0.000 0.473 306 A N -0.316 122.569 122.820 0.109 0.000 2.123 306 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 306 A C 1.992 179.541 177.584 -0.058 0.000 1.152 306 A CA 0.866 52.910 52.037 0.012 0.000 0.728 306 A CB 0.085 19.146 19.000 0.102 0.000 0.814 306 A HN 0.159 nan 8.150 nan 0.000 0.464 307 S N -0.807 114.868 115.700 -0.041 0.000 2.427 307 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 307 S C 1.925 176.488 174.600 -0.062 0.000 1.047 307 S CA 0.780 58.945 58.200 -0.058 0.000 0.953 307 S CB -0.183 62.988 63.200 -0.048 0.000 0.824 307 S HN 0.530 nan 8.310 nan 0.000 0.502 308 K N 0.473 120.841 120.400 -0.053 0.000 2.173 308 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 308 K C 1.848 178.402 176.600 -0.075 0.000 1.046 308 K CA 1.318 57.574 56.287 -0.052 0.000 0.929 308 K CB -0.215 32.261 32.500 -0.039 0.000 0.720 308 K HN 0.260 nan 8.250 nan 0.000 0.453 309 L N 0.082 121.234 121.223 -0.119 0.000 2.127 309 L HA -0.001 4.339 4.340 -0.000 0.000 0.203 309 L C 2.113 178.927 176.870 -0.094 0.000 1.080 309 L CA 1.379 56.137 54.840 -0.137 0.000 0.768 309 L CB -0.451 41.463 42.059 -0.241 0.000 0.924 309 L HN 0.077 nan 8.230 nan 0.000 0.444 310 A N -0.142 122.624 122.820 -0.090 0.000 1.917 310 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 310 A C 2.233 179.794 177.584 -0.039 0.000 1.182 310 A CA 2.355 54.349 52.037 -0.071 0.000 0.633 310 A CB -0.877 18.067 19.000 -0.092 0.000 0.819 310 A HN 0.495 nan 8.150 nan 0.000 0.448 311 I N -1.346 119.202 120.570 -0.038 0.000 2.406 311 I HA -0.124 4.046 4.170 -0.000 0.000 0.249 311 I C 2.307 178.415 176.117 -0.014 0.000 1.122 311 I CA 1.390 62.679 61.300 -0.018 0.000 1.431 311 I CB -0.259 37.729 38.000 -0.021 0.000 1.087 311 I HN 0.318 nan 8.210 nan 0.000 0.424 312 E N 1.048 121.232 120.200 -0.027 0.000 2.472 312 E HA -0.145 4.205 4.350 -0.000 0.000 0.200 312 E C 1.794 178.383 176.600 -0.017 0.000 1.046 312 E CA 1.029 57.415 56.400 -0.023 0.000 0.871 312 E CB 0.024 29.703 29.700 -0.035 0.000 0.806 312 E HN 0.455 nan 8.360 nan 0.000 0.533 313 S N -0.954 114.739 115.700 -0.013 0.000 2.559 313 S HA 0.200 4.670 4.470 -0.000 0.000 0.226 313 S C 0.546 175.156 174.600 0.016 0.000 1.000 313 S CA 0.076 58.275 58.200 -0.002 0.000 0.948 313 S CB 0.156 63.353 63.200 -0.005 0.000 0.870 313 S HN 0.143 nan 8.310 nan 0.000 0.497 314 K N 1.280 121.694 120.400 0.022 0.000 3.235 314 K HA -0.098 4.222 4.320 -0.000 0.000 0.273 314 K C -1.045 175.597 176.600 0.071 0.000 1.183 314 K CA 0.721 57.030 56.287 0.037 0.000 0.807 314 K CB -2.295 30.221 32.500 0.026 0.000 1.297 314 K HN 0.468 nan 8.250 nan 0.000 0.508 315 N N -0.640 118.112 118.700 0.087 0.000 2.571 315 N HA 0.162 4.902 4.740 -0.000 0.000 0.298 315 N C 1.100 176.706 175.510 0.159 0.000 1.671 315 N CA 0.467 53.618 53.050 0.168 0.000 0.900 315 N CB 0.971 39.516 38.487 0.096 0.000 1.365 315 N HN 0.377 nan 8.380 nan 0.000 0.493 316 G N 1.341 110.239 108.800 0.163 0.000 2.513 316 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 316 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 316 G C 1.331 176.303 174.900 0.119 0.000 1.160 316 G CA 1.321 46.487 45.100 0.110 0.000 0.767 316 G HN 0.571 nan 8.290 nan 0.000 0.571 317 H N 0.733 119.815 119.070 0.019 0.000 2.496 317 H HA -0.032 4.524 4.556 -0.000 0.000 0.296 317 H C 2.296 177.623 175.328 -0.001 0.000 1.107 317 H CA 1.264 57.332 56.048 0.034 0.000 1.263 317 H CB -0.836 28.976 29.762 0.082 0.000 1.369 317 H HN 0.380 nan 8.280 nan 0.000 0.541 318 L N 0.219 121.147 121.223 -0.492 0.000 2.023 318 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 318 L C 2.874 179.605 176.870 -0.231 0.000 1.073 318 L CA 1.273 55.852 54.840 -0.434 0.000 0.745 318 L CB -0.697 41.129 42.059 -0.388 0.000 0.900 318 L HN 0.281 nan 8.230 nan 0.000 0.435 319 S N -0.390 115.217 115.700 -0.154 0.000 2.413 319 S HA -0.200 4.270 4.470 -0.000 0.000 0.237 319 S C 1.903 176.429 174.600 -0.124 0.000 1.044 319 S CA 1.428 59.560 58.200 -0.114 0.000 1.024 319 S CB -0.188 62.967 63.200 -0.074 0.000 0.829 319 S HN 0.196 nan 8.310 nan 0.000 0.475 320 V N 1.991 121.840 119.914 -0.108 0.000 2.244 320 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 320 V C 2.324 178.327 176.094 -0.153 0.000 1.042 320 V CA 1.996 64.225 62.300 -0.118 0.000 1.006 320 V CB -0.676 31.140 31.823 -0.012 0.000 0.641 320 V HN 0.495 nan 8.190 nan 0.000 0.446 321 L N -0.520 120.651 121.223 -0.086 0.000 1.989 321 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 321 L C 2.459 179.266 176.870 -0.104 0.000 1.071 321 L CA 1.880 56.693 54.840 -0.045 0.000 0.749 321 L CB -0.863 41.086 42.059 -0.184 0.000 0.890 321 L HN 0.238 nan 8.230 nan 0.000 0.431 322 I N 0.219 120.692 120.570 -0.162 0.000 2.367 322 I HA -0.384 3.786 4.170 -0.000 0.000 0.256 322 I C 2.903 178.949 176.117 -0.119 0.000 1.132 322 I CA 1.664 62.878 61.300 -0.143 0.000 1.397 322 I CB -0.173 37.747 38.000 -0.132 0.000 1.074 322 I HN 0.398 nan 8.210 nan 0.000 0.435 323 S N 0.170 115.766 115.700 -0.174 0.000 2.357 323 S HA -0.198 4.272 4.470 -0.000 0.000 0.221 323 S C 2.066 176.545 174.600 -0.201 0.000 1.031 323 S CA 1.085 59.148 58.200 -0.229 0.000 0.982 323 S CB -0.459 62.511 63.200 -0.385 0.000 0.853 323 S HN 0.500 nan 8.310 nan 0.000 0.458 324 Y N 0.820 121.097 120.300 -0.039 0.000 2.421 324 Y HA 0.024 4.574 4.550 -0.000 0.000 0.292 324 Y C 2.227 178.108 175.900 -0.031 0.000 1.136 324 Y CA 0.409 58.491 58.100 -0.030 0.000 1.255 324 Y CB -0.188 38.254 38.460 -0.029 0.000 0.991 324 Y HN 0.288 nan 8.280 nan 0.000 0.552 325 L N 0.340 121.604 121.223 0.069 0.000 2.089 325 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 325 L C 2.368 179.292 176.870 0.090 0.000 1.079 325 L CA 2.236 57.086 54.840 0.017 0.000 0.758 325 L CB -1.012 40.994 42.059 -0.089 0.000 0.891 325 L HN 0.208 nan 8.230 nan 0.000 0.433 326 G N -1.934 106.915 108.800 0.082 0.000 2.509 326 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.218 326 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.218 326 G C 0.533 175.469 174.900 0.061 0.000 1.124 326 G CA 0.711 45.860 45.100 0.082 0.000 0.776 326 G HN 0.569 nan 8.290 nan 0.000 0.547 327 S N -1.053 114.693 115.700 0.075 0.000 2.671 327 S HA 0.538 5.008 4.470 -0.000 0.000 0.299 327 S C -1.004 173.628 174.600 0.053 0.000 1.116 327 S CA -1.022 57.212 58.200 0.057 0.000 0.912 327 S CB 2.071 65.311 63.200 0.067 0.000 1.130 327 S HN -0.023 nan 8.310 nan 0.000 0.501 328 N N 1.626 120.340 118.700 0.023 0.000 2.457 328 N HA 0.346 5.086 4.740 -0.000 0.000 0.250 328 N C -1.901 173.600 175.510 -0.014 0.000 0.982 328 N CA 0.044 53.096 53.050 0.003 0.000 0.941 328 N CB 0.880 39.360 38.487 -0.012 0.000 1.120 328 N HN 0.731 nan 8.380 nan 0.000 0.505 329 D N 4.353 124.731 120.400 -0.037 0.000 2.696 329 D HA 0.303 4.943 4.640 -0.000 0.000 0.251 329 D C -1.736 174.515 176.300 -0.082 0.000 1.188 329 D CA -1.678 52.274 54.000 -0.080 0.000 0.876 329 D CB 2.491 43.190 40.800 -0.168 0.000 1.334 329 D HN 0.279 nan 8.370 nan 0.000 0.540 330 P HA -0.123 nan 4.420 nan 0.000 0.218 330 P C 1.090 178.354 177.300 -0.061 0.000 1.149 330 P CA 0.684 63.753 63.100 -0.052 0.000 0.817 330 P CB 0.820 32.496 31.700 -0.040 0.000 0.785 331 R N -0.207 120.240 120.500 -0.088 0.000 2.097 331 R HA -0.113 4.227 4.340 -0.000 0.000 0.236 331 R C 2.532 178.777 176.300 -0.092 0.000 1.135 331 R CA 1.461 57.506 56.100 -0.092 0.000 0.934 331 R CB -1.051 29.169 30.300 -0.133 0.000 0.846 331 R HN 0.148 nan 8.270 nan 0.000 0.431 332 I N 1.004 121.483 120.570 -0.152 0.000 2.163 332 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 332 I C 2.530 178.629 176.117 -0.030 0.000 1.085 332 I CA 1.451 62.685 61.300 -0.109 0.000 1.347 332 I CB -1.097 36.805 38.000 -0.163 0.000 1.044 332 I HN 0.235 nan 8.210 nan 0.000 0.408 333 R N 0.905 121.382 120.500 -0.038 0.000 2.115 333 R HA -0.226 4.114 4.340 -0.000 0.000 0.239 333 R C 2.049 178.347 176.300 -0.003 0.000 1.133 333 R CA 2.294 58.385 56.100 -0.015 0.000 0.935 333 R CB -0.190 30.097 30.300 -0.022 0.000 0.853 333 R HN 0.357 nan 8.270 nan 0.000 0.433 334 D N 0.172 120.566 120.400 -0.010 0.000 2.178 334 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 334 D C 1.832 178.138 176.300 0.011 0.000 0.974 334 D CA 0.811 54.810 54.000 -0.002 0.000 0.841 334 D CB -0.100 40.696 40.800 -0.007 0.000 0.953 334 D HN 0.172 nan 8.370 nan 0.000 0.478 335 L N 0.738 121.971 121.223 0.017 0.000 2.191 335 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 335 L C 1.929 178.840 176.870 0.068 0.000 1.103 335 L CA 1.388 56.255 54.840 0.046 0.000 0.769 335 L CB -0.461 41.632 42.059 0.056 0.000 0.908 335 L HN -0.090 nan 8.230 nan 0.000 0.438 336 A N -1.206 121.661 122.820 0.078 0.000 1.887 336 A HA -0.062 4.258 4.320 -0.000 0.000 0.212 336 A C 2.279 179.846 177.584 -0.029 0.000 1.198 336 A CA 0.935 53.031 52.037 0.097 0.000 0.628 336 A CB -0.480 18.633 19.000 0.188 0.000 0.847 336 A HN 0.475 nan 8.150 nan 0.000 0.449 337 E N -0.314 119.883 120.200 -0.006 0.000 2.028 337 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 337 E C 1.779 178.372 176.600 -0.013 0.000 0.988 337 E CA 0.781 57.171 56.400 -0.017 0.000 0.799 337 E CB -0.100 29.599 29.700 -0.002 0.000 0.755 337 E HN 0.333 nan 8.360 nan 0.000 0.447 338 L N 1.268 122.493 121.223 0.004 0.000 2.261 338 L HA -0.208 4.132 4.340 -0.000 0.000 0.216 338 L C 2.287 179.181 176.870 0.040 0.000 1.114 338 L CA 1.580 56.431 54.840 0.018 0.000 0.777 338 L CB -0.892 41.178 42.059 0.019 0.000 0.910 338 L HN 0.330 nan 8.230 nan 0.000 0.440 339 Q N -1.342 118.475 119.800 0.027 0.000 2.033 339 Q HA -0.128 4.212 4.340 -0.000 0.000 0.196 339 Q C 2.175 178.259 176.000 0.140 0.000 0.970 339 Q CA 0.652 56.516 55.803 0.101 0.000 0.828 339 Q CB 0.069 28.807 28.738 0.001 0.000 0.895 339 Q HN 0.302 nan 8.270 nan 0.000 0.440 340 L N 1.585 122.707 121.223 -0.168 0.000 2.021 340 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 340 L C 2.347 179.240 176.870 0.040 0.000 1.074 340 L CA 1.852 56.568 54.840 -0.206 0.000 0.760 340 L CB -1.306 40.674 42.059 -0.132 0.000 0.889 340 L HN 0.354 nan 8.230 nan 0.000 0.433 341 Q N -0.806 119.013 119.800 0.032 0.000 2.112 341 Q HA -0.287 4.053 4.340 -0.000 0.000 0.206 341 Q C 2.206 178.242 176.000 0.061 0.000 0.987 341 Q CA 1.896 57.712 55.803 0.022 0.000 0.858 341 Q CB -0.198 28.548 28.738 0.013 0.000 0.905 341 Q HN 0.437 nan 8.270 nan 0.000 0.420 342 K N -0.267 120.209 120.400 0.128 0.000 2.288 342 K HA -0.138 4.182 4.320 -0.000 0.000 0.201 342 K C 1.168 177.848 176.600 0.132 0.000 1.048 342 K CA 0.619 56.969 56.287 0.105 0.000 0.956 342 K CB 0.071 32.622 32.500 0.086 0.000 0.746 342 K HN 0.216 nan 8.250 nan 0.000 0.461 343 W N 0.719 121.978 121.300 -0.068 0.000 2.825 343 W HA -0.024 4.636 4.660 -0.000 0.000 0.243 343 W C 1.555 178.032 176.519 -0.070 0.000 1.293 343 W CA 0.689 58.006 57.345 -0.047 0.000 1.403 343 W CB 0.077 29.538 29.460 0.003 0.000 1.134 343 W HN 0.106 nan 8.180 nan 0.000 0.666 344 S N -3.020 112.722 115.700 0.071 0.000 2.568 344 S HA 0.143 4.613 4.470 -0.000 0.000 0.232 344 S C 1.213 175.795 174.600 -0.030 0.000 0.975 344 S CA 0.129 58.306 58.200 -0.039 0.000 0.949 344 S CB -0.228 62.868 63.200 -0.173 0.000 0.829 344 S HN -0.046 nan 8.310 nan 0.000 0.479 345 T N 2.329 116.874 114.554 -0.015 0.000 2.645 345 T HA 0.255 4.605 4.350 -0.000 0.000 0.233 345 T C 1.216 175.901 174.700 -0.025 0.000 1.158 345 T CA 1.258 63.344 62.100 -0.025 0.000 1.610 345 T CB -0.762 68.088 68.868 -0.031 0.000 1.059 345 T HN 0.593 nan 8.240 nan 0.000 0.395 346 G N 0.224 109.003 108.800 -0.034 0.000 4.849 346 G HA2 0.510 4.470 3.960 -0.000 0.000 0.247 346 G HA3 0.510 4.470 3.960 -0.000 0.000 0.247 346 G C -0.146 174.726 174.900 -0.047 0.000 1.128 346 G CA -0.141 44.940 45.100 -0.032 0.000 0.864 346 G HN 0.710 nan 8.290 nan 0.000 0.567 347 G N -0.063 108.706 108.800 -0.052 0.000 2.954 347 G HA2 0.481 4.441 3.960 -0.000 0.000 0.290 347 G HA3 0.481 4.441 3.960 -0.000 0.000 0.290 347 G C -0.405 174.469 174.900 -0.044 0.000 1.574 347 G CA -0.269 44.779 45.100 -0.087 0.000 1.088 347 G HN 0.382 nan 8.290 nan 0.000 0.557 348 C N -0.070 119.219 119.300 -0.018 0.000 2.924 348 C HA 0.833 5.293 4.460 -0.000 0.000 0.399 348 C C 1.523 176.526 174.990 0.022 0.000 1.795 348 C CA 0.055 59.091 59.018 0.030 0.000 1.685 348 C CB 1.289 29.052 27.740 0.038 0.000 2.218 348 C HN 0.962 nan 8.230 nan 0.000 0.474 349 S N -0.288 115.442 115.700 0.050 0.000 3.018 349 S HA -0.130 4.340 4.470 -0.000 0.000 0.274 349 S C -0.262 174.379 174.600 0.068 0.000 1.300 349 S CA 0.273 58.501 58.200 0.045 0.000 1.179 349 S CB -1.157 62.053 63.200 0.017 0.000 1.427 349 S HN 0.548 nan 8.310 nan 0.000 0.668 350 I N 2.682 123.321 120.570 0.114 0.000 2.472 350 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 350 I C 0.936 177.166 176.117 0.188 0.000 1.016 350 I CA -0.455 60.964 61.300 0.198 0.000 1.348 350 I CB 0.419 38.654 38.000 0.393 0.000 1.417 350 I HN 0.116 nan 8.210 nan 0.000 0.521 351 D N 5.386 125.887 120.400 0.169 0.000 2.414 351 D HA 0.025 4.665 4.640 -0.000 0.000 0.242 351 D C 1.042 177.365 176.300 0.038 0.000 1.129 351 D CA 0.035 54.091 54.000 0.093 0.000 0.885 351 D CB 1.250 42.092 40.800 0.071 0.000 1.198 351 D HN 0.395 nan 8.370 nan 0.000 0.437 352 K N 1.704 122.093 120.400 -0.018 0.000 2.360 352 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 352 K C 1.203 177.655 176.600 -0.248 0.000 1.046 352 K CA 0.702 56.910 56.287 -0.130 0.000 0.945 352 K CB 0.239 32.681 32.500 -0.098 0.000 0.750 352 K HN 0.328 nan 8.250 nan 0.000 0.464 353 N N 0.876 119.474 118.700 -0.170 0.000 2.290 353 N HA -0.006 4.734 4.740 -0.000 0.000 0.179 353 N C 1.824 177.200 175.510 -0.223 0.000 1.016 353 N CA 0.827 53.728 53.050 -0.249 0.000 0.871 353 N CB 0.025 38.454 38.487 -0.097 0.000 0.987 353 N HN 0.154 nan 8.380 nan 0.000 0.431 354 I N 1.521 122.045 120.570 -0.076 0.000 2.315 354 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 354 I C 2.369 178.444 176.117 -0.070 0.000 1.117 354 I CA 0.954 62.254 61.300 -0.001 0.000 1.404 354 I CB -0.271 37.857 38.000 0.214 0.000 1.071 354 I HN 0.141 nan 8.210 nan 0.000 0.419 355 S N 1.043 116.620 115.700 -0.205 0.000 2.345 355 S HA -0.180 4.290 4.470 -0.000 0.000 0.220 355 S C 1.942 176.297 174.600 -0.408 0.000 1.031 355 S CA 0.757 58.726 58.200 -0.384 0.000 0.996 355 S CB -0.554 62.330 63.200 -0.528 0.000 0.882 355 S HN 0.325 nan 8.310 nan 0.000 0.445 356 K N 1.076 121.151 120.400 -0.541 0.000 2.144 356 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 356 K C 2.058 178.372 176.600 -0.478 0.000 1.047 356 K CA 1.924 57.819 56.287 -0.653 0.000 0.927 356 K CB -0.586 31.205 32.500 -1.181 0.000 0.716 356 K HN 0.490 nan 8.250 nan 0.000 0.454 357 I N -0.756 119.582 120.570 -0.386 0.000 2.286 357 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 357 I C 1.911 177.857 176.117 -0.285 0.000 1.104 357 I CA 1.176 62.319 61.300 -0.261 0.000 1.397 357 I CB -0.320 37.532 38.000 -0.247 0.000 1.072 357 I HN 0.123 nan 8.210 nan 0.000 0.417 358 Y N 1.362 121.495 120.300 -0.279 0.000 2.224 358 Y HA -0.280 4.270 4.550 -0.000 0.000 0.289 358 Y C 2.609 178.374 175.900 -0.225 0.000 1.146 358 Y CA 1.563 59.512 58.100 -0.252 0.000 1.182 358 Y CB -0.197 38.053 38.460 -0.350 0.000 0.983 358 Y HN 0.034 nan 8.280 nan 0.000 0.524 359 K N 1.093 121.433 120.400 -0.101 0.000 2.103 359 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 359 K C 1.542 178.068 176.600 -0.123 0.000 1.048 359 K CA 1.530 57.747 56.287 -0.117 0.000 0.930 359 K CB -0.766 31.625 32.500 -0.180 0.000 0.716 359 K HN 0.375 nan 8.250 nan 0.000 0.444 360 L N 0.248 121.371 121.223 -0.167 0.000 2.353 360 L HA -0.095 4.245 4.340 -0.000 0.000 0.220 360 L C 1.958 178.718 176.870 -0.183 0.000 1.133 360 L CA 0.668 55.380 54.840 -0.215 0.000 0.798 360 L CB -0.302 41.521 42.059 -0.394 0.000 0.922 360 L HN 0.168 nan 8.230 nan 0.000 0.445 361 L N -1.139 120.006 121.223 -0.130 0.000 2.354 361 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 361 L C 2.757 179.611 176.870 -0.026 0.000 1.091 361 L CA 0.673 55.470 54.840 -0.072 0.000 0.828 361 L CB -0.298 41.731 42.059 -0.049 0.000 0.973 361 L HN 0.292 nan 8.230 nan 0.000 0.461 362 S N -0.119 115.567 115.700 -0.024 0.000 2.407 362 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 362 S C 1.602 176.198 174.600 -0.007 0.000 1.036 362 S CA 1.474 59.668 58.200 -0.010 0.000 1.013 362 S CB -0.236 62.957 63.200 -0.012 0.000 0.820 362 S HN 0.594 nan 8.310 nan 0.000 0.476 363 G N 0.707 109.503 108.800 -0.006 0.000 2.981 363 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.198 363 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.198 363 G C 0.106 175.013 174.900 0.011 0.000 1.806 363 G CA -0.014 45.090 45.100 0.007 0.000 1.374 363 G HN 1.563 nan 8.290 nan 0.000 0.555 364 S N 2.248 117.951 115.700 0.006 0.000 2.498 364 S HA 0.688 5.158 4.470 -0.000 0.000 0.324 364 S C -1.276 173.304 174.600 -0.034 0.000 1.071 364 S CA -0.507 57.700 58.200 0.011 0.000 1.113 364 S CB 2.885 66.115 63.200 0.050 0.000 0.976 364 S HN 0.496 nan 8.310 nan 0.000 0.462 365 P HA 0.155 nan 4.420 nan 0.000 0.240 365 P C 0.427 177.542 177.300 -0.310 0.000 1.190 365 P CA 0.289 63.207 63.100 -0.304 0.000 0.781 365 P CB -0.024 31.366 31.700 -0.515 0.000 0.931 366 F N 1.241 121.259 119.950 0.113 0.000 2.553 366 F HA 0.133 4.660 4.527 -0.000 0.000 0.282 366 F C 2.082 177.950 175.800 0.113 0.000 1.089 366 F CA -0.041 58.041 58.000 0.136 0.000 1.411 366 F CB -0.027 39.053 39.000 0.133 0.000 1.125 366 F HN -0.106 nan 8.300 nan 0.000 0.610 367 E N 1.010 121.356 120.200 0.244 0.000 2.368 367 E HA 0.230 4.580 4.350 -0.000 0.000 0.188 367 E C 0.958 177.630 176.600 0.121 0.000 1.061 367 E CA -0.168 56.331 56.400 0.164 0.000 0.933 367 E CB -0.077 29.698 29.700 0.126 0.000 1.091 367 E HN 0.204 nan 8.360 nan 0.000 0.458 368 G N 0.892 109.765 108.800 0.121 0.000 2.634 368 G HA2 0.161 4.121 3.960 -0.000 0.000 0.255 368 G HA3 0.161 4.121 3.960 -0.000 0.000 0.255 368 G C 0.638 175.601 174.900 0.106 0.000 1.205 368 G CA -0.704 44.451 45.100 0.092 0.000 0.884 368 G HN 0.248 nan 8.290 nan 0.000 0.549 369 L N -0.815 120.461 121.223 0.088 0.000 2.610 369 L HA 0.269 4.609 4.340 -0.000 0.000 0.232 369 L C 1.006 177.939 176.870 0.105 0.000 1.149 369 L CA 0.696 55.573 54.840 0.062 0.000 0.872 369 L CB -0.154 41.918 42.059 0.021 0.000 0.992 369 L HN 0.501 nan 8.230 nan 0.000 0.447 370 F N -0.345 119.601 119.950 -0.006 0.000 2.548 370 F HA 0.166 4.693 4.527 -0.000 0.000 0.379 370 F C 1.016 176.816 175.800 0.000 0.000 1.380 370 F CA -0.722 57.270 58.000 -0.014 0.000 1.095 370 F CB 0.694 39.658 39.000 -0.060 0.000 1.270 370 F HN -0.099 nan 8.300 nan 0.000 0.509 371 S N 0.962 116.809 115.700 0.246 0.000 2.549 371 S HA -0.155 4.315 4.470 -0.000 0.000 0.299 371 S C 0.779 175.474 174.600 0.158 0.000 1.280 371 S CA 0.498 58.815 58.200 0.195 0.000 1.029 371 S CB 0.461 63.797 63.200 0.227 0.000 0.729 371 S HN 0.567 nan 8.310 nan 0.000 0.466 372 L N 3.153 124.522 121.223 0.243 0.000 2.808 372 L HA 0.233 4.573 4.340 -0.000 0.000 0.246 372 L C 1.870 179.010 176.870 0.449 0.000 1.153 372 L CA -0.076 54.923 54.840 0.266 0.000 0.956 372 L CB -0.107 42.053 42.059 0.169 0.000 1.270 372 L HN 0.672 nan 8.230 nan 0.000 0.528 373 K N 0.880 121.539 120.400 0.432 0.000 2.360 373 K HA -0.209 4.111 4.320 -0.000 0.000 0.201 373 K C 1.621 178.259 176.600 0.063 0.000 1.046 373 K CA 1.513 57.931 56.287 0.219 0.000 0.940 373 K CB 0.004 32.623 32.500 0.198 0.000 0.748 373 K HN 0.526 nan 8.250 nan 0.000 0.465 374 E N 1.023 121.291 120.200 0.114 0.000 2.347 374 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 374 E C 1.659 178.321 176.600 0.104 0.000 1.008 374 E CA 0.545 56.996 56.400 0.085 0.000 0.852 374 E CB -0.317 29.437 29.700 0.091 0.000 0.783 374 E HN 0.273 nan 8.360 nan 0.000 0.505 375 L N 1.092 122.391 121.223 0.127 0.000 2.191 375 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 375 L C 2.440 179.471 176.870 0.269 0.000 1.103 375 L CA 1.091 56.049 54.840 0.197 0.000 0.769 375 L CB -0.522 41.548 42.059 0.018 0.000 0.908 375 L HN 0.200 nan 8.230 nan 0.000 0.438 376 E N 0.442 120.674 120.200 0.054 0.000 2.169 376 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 376 E C 2.231 178.868 176.600 0.060 0.000 1.016 376 E CA 1.927 58.309 56.400 -0.030 0.000 0.817 376 E CB 0.015 29.582 29.700 -0.220 0.000 0.736 376 E HN 0.622 nan 8.360 nan 0.000 0.462 377 S N 0.163 115.912 115.700 0.081 0.000 2.383 377 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 377 S C 1.548 176.175 174.600 0.044 0.000 1.030 377 S CA 1.380 59.616 58.200 0.059 0.000 1.002 377 S CB -0.117 63.116 63.200 0.056 0.000 0.829 377 S HN 0.312 nan 8.310 nan 0.000 0.467 378 E N -0.637 119.601 120.200 0.063 0.000 2.514 378 E HA 0.290 4.640 4.350 -0.000 0.000 0.215 378 E C -0.910 175.499 176.600 -0.318 0.000 0.946 378 E CA -0.257 56.048 56.400 -0.158 0.000 1.038 378 E CB 0.444 29.948 29.700 -0.326 0.000 1.069 378 E HN 0.455 nan 8.360 nan 0.000 0.503 379 F N 1.446 121.413 119.950 0.029 0.000 2.415 379 F HA 0.253 4.780 4.527 -0.000 0.000 0.348 379 F C 0.714 176.533 175.800 0.031 0.000 1.119 379 F CA -1.069 56.945 58.000 0.024 0.000 1.069 379 F CB 1.571 40.593 39.000 0.037 0.000 1.124 379 F HN -0.251 nan 8.300 nan 0.000 0.472 380 S N 5.265 121.055 115.700 0.150 0.000 2.552 380 S HA -0.090 4.380 4.470 -0.000 0.000 0.289 380 S C 1.498 176.199 174.600 0.168 0.000 1.304 380 S CA -0.548 57.755 58.200 0.173 0.000 1.063 380 S CB 0.244 63.527 63.200 0.138 0.000 0.848 380 S HN 0.812 nan 8.310 nan 0.000 0.499 381 W N 5.707 127.043 121.300 0.060 0.000 2.276 381 W HA -0.237 4.423 4.660 -0.000 0.000 0.307 381 W C 1.035 177.630 176.519 0.126 0.000 1.240 381 W CA 1.295 58.705 57.345 0.108 0.000 1.249 381 W CB -1.305 28.203 29.460 0.079 0.000 1.140 381 W HN 0.668 nan 8.180 nan 0.000 0.519 382 L N 1.454 121.745 121.223 -1.552 0.000 2.551 382 L HA -0.024 4.316 4.340 -0.000 0.000 0.228 382 L C 2.499 178.956 176.870 -0.689 0.000 1.153 382 L CA 1.835 55.725 54.840 -1.584 0.000 0.851 382 L CB -1.057 40.364 42.059 -1.063 0.000 0.959 382 L HN 0.256 nan 8.230 nan 0.000 0.451 383 C N -1.422 117.666 119.300 -0.354 0.000 2.519 383 C HA 0.047 4.507 4.460 -0.000 0.000 0.281 383 C C 2.586 177.516 174.990 -0.099 0.000 1.331 383 C CA 0.224 59.144 59.018 -0.163 0.000 1.725 383 C CB -0.789 26.962 27.740 0.017 0.000 2.079 383 C HN 0.594 nan 8.230 nan 0.000 0.496 384 L N 0.859 122.100 121.223 0.029 0.000 2.012 384 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 384 L C 2.515 179.477 176.870 0.153 0.000 1.073 384 L CA 1.391 56.411 54.840 0.300 0.000 0.748 384 L CB -0.914 41.471 42.059 0.543 0.000 0.891 384 L HN 0.377 nan 8.230 nan 0.000 0.431 385 L N 0.577 121.594 121.223 -0.343 0.000 2.043 385 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 385 L C 2.107 178.717 176.870 -0.434 0.000 1.075 385 L CA 2.137 56.399 54.840 -0.963 0.000 0.752 385 L CB -0.930 40.497 42.059 -1.052 0.000 0.891 385 L HN 0.279 nan 8.230 nan 0.000 0.432 386 N N -1.052 117.461 118.700 -0.311 0.000 2.272 386 N HA -0.205 4.535 4.740 -0.000 0.000 0.185 386 N C 1.741 177.129 175.510 -0.203 0.000 1.014 386 N CA 1.505 54.419 53.050 -0.226 0.000 0.870 386 N CB -0.211 38.154 38.487 -0.202 0.000 0.975 386 N HN 0.511 nan 8.380 nan 0.000 0.433 387 L N -1.019 120.143 121.223 -0.102 0.000 2.095 387 L HA -0.065 4.275 4.340 -0.000 0.000 0.204 387 L C 1.877 178.730 176.870 -0.029 0.000 1.080 387 L CA 1.151 55.962 54.840 -0.048 0.000 0.759 387 L CB -0.705 41.439 42.059 0.142 0.000 0.914 387 L HN 0.227 nan 8.230 nan 0.000 0.439 388 T N 0.326 114.937 114.554 0.095 0.000 2.962 388 T HA -0.089 4.261 4.350 -0.000 0.000 0.270 388 T C 1.898 176.621 174.700 0.039 0.000 1.088 388 T CA 1.002 63.189 62.100 0.145 0.000 1.127 388 T CB -0.065 68.973 68.868 0.284 0.000 0.883 388 T HN 0.175 nan 8.240 nan 0.000 0.493 389 L N -0.360 120.826 121.223 -0.061 0.000 2.307 389 L HA 0.084 4.424 4.340 -0.000 0.000 0.211 389 L C 2.365 179.245 176.870 0.017 0.000 1.099 389 L CA 0.482 55.291 54.840 -0.052 0.000 0.816 389 L CB -0.145 41.815 42.059 -0.164 0.000 0.952 389 L HN 0.342 nan 8.230 nan 0.000 0.455 390 C N -1.748 117.431 119.300 -0.202 0.000 2.541 390 C HA 0.006 4.466 4.460 -0.000 0.000 0.284 390 C C 2.255 177.000 174.990 -0.408 0.000 1.341 390 C CA 0.105 58.878 59.018 -0.408 0.000 1.732 390 C CB -0.502 26.679 27.740 -0.932 0.000 2.126 390 C HN 0.468 nan 8.230 nan 0.000 0.505 391 Y N 0.090 120.402 120.300 0.021 0.000 2.444 391 Y HA 0.255 4.805 4.550 -0.000 0.000 0.252 391 Y C 2.468 178.364 175.900 -0.008 0.000 1.091 391 Y CA 0.373 58.468 58.100 -0.009 0.000 1.276 391 Y CB -0.365 38.070 38.460 -0.041 0.000 1.170 391 Y HN 0.279 nan 8.280 nan 0.000 0.517 392 G N 0.233 109.091 108.800 0.097 0.000 2.776 392 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.209 392 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.209 392 G C 0.577 175.530 174.900 0.088 0.000 1.145 392 G CA -0.117 45.038 45.100 0.093 0.000 0.791 392 G HN 0.176 nan 8.290 nan 0.000 0.530 393 Q N 0.272 120.116 119.800 0.074 0.000 2.317 393 Q HA 0.062 4.402 4.340 -0.000 0.000 0.286 393 Q C 1.062 177.053 176.000 -0.015 0.000 1.198 393 Q CA 0.378 56.199 55.803 0.031 0.000 0.973 393 Q CB 0.379 29.124 28.738 0.012 0.000 1.207 393 Q HN 0.471 nan 8.270 nan 0.000 0.416 394 I N 0.388 120.937 120.570 -0.036 0.000 3.462 394 I HA 0.029 4.199 4.170 -0.000 0.000 0.290 394 I C 0.295 176.305 176.117 -0.177 0.000 1.236 394 I CA 0.624 61.897 61.300 -0.045 0.000 1.418 394 I CB 0.443 38.471 38.000 0.047 0.000 1.102 394 I HN 0.362 nan 8.210 nan 0.000 0.441 395 D N 0.271 120.415 120.400 -0.427 0.000 2.654 395 D HA 0.146 4.786 4.640 -0.000 0.000 0.231 395 D C -0.725 175.137 176.300 -0.730 0.000 1.239 395 D CA -0.407 53.199 54.000 -0.657 0.000 0.790 395 D CB 2.030 42.251 40.800 -0.965 0.000 1.480 395 D HN -0.126 nan 8.370 nan 0.000 0.442 396 E N 1.623 121.575 120.200 -0.414 0.000 1.979 396 E HA 0.157 4.507 4.350 -0.000 0.000 0.285 396 E C -0.725 175.824 176.600 -0.085 0.000 1.188 396 E CA -0.098 56.182 56.400 -0.200 0.000 1.214 396 E CB -0.163 29.481 29.700 -0.093 0.000 1.210 396 E HN 0.285 nan 8.360 nan 0.000 0.477 397 Y N -2.199 118.117 120.300 0.026 0.000 2.805 397 Y HA 0.432 4.982 4.550 -0.000 0.000 0.323 397 Y C 0.305 176.219 175.900 0.023 0.000 1.279 397 Y CA -2.580 55.531 58.100 0.019 0.000 1.103 397 Y CB -0.500 37.968 38.460 0.012 0.000 1.324 397 Y HN -0.015 nan 8.280 nan 0.000 0.498 398 S N 0.724 116.562 115.700 0.230 0.000 2.573 398 S HA -0.028 4.442 4.470 -0.000 0.000 0.297 398 S C 0.966 175.606 174.600 0.068 0.000 1.280 398 S CA -0.129 58.118 58.200 0.078 0.000 1.061 398 S CB 0.331 63.507 63.200 -0.039 0.000 0.812 398 S HN 0.860 nan 8.310 nan 0.000 0.500 399 L N 2.379 123.654 121.223 0.087 0.000 2.042 399 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 399 L C 2.329 179.229 176.870 0.050 0.000 1.076 399 L CA 2.030 56.933 54.840 0.106 0.000 0.749 399 L CB -0.855 41.278 42.059 0.122 0.000 0.893 399 L HN 0.870 nan 8.230 nan 0.000 0.432 400 E N -0.095 120.041 120.200 -0.107 0.000 2.026 400 E HA -0.274 4.076 4.350 -0.000 0.000 0.206 400 E C 2.308 178.787 176.600 -0.202 0.000 1.028 400 E CA 2.241 58.415 56.400 -0.377 0.000 0.845 400 E CB -0.576 28.776 29.700 -0.581 0.000 0.772 400 E HN 0.692 nan 8.360 nan 0.000 0.462 401 S N 0.464 116.024 115.700 -0.232 0.000 2.440 401 S HA -0.160 4.310 4.470 -0.000 0.000 0.238 401 S C 1.939 176.422 174.600 -0.195 0.000 1.010 401 S CA 1.003 59.055 58.200 -0.246 0.000 0.972 401 S CB -0.330 62.643 63.200 -0.379 0.000 0.774 401 S HN 0.206 nan 8.310 nan 0.000 0.501 402 L N 2.010 123.162 121.223 -0.118 0.000 2.017 402 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 402 L C 2.437 179.374 176.870 0.112 0.000 1.073 402 L CA 1.479 56.366 54.840 0.078 0.000 0.745 402 L CB -0.881 41.301 42.059 0.206 0.000 0.894 402 L HN 0.216 nan 8.230 nan 0.000 0.432 403 V N -0.450 119.536 119.914 0.120 0.000 2.343 403 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 403 V C 2.678 178.885 176.094 0.187 0.000 1.051 403 V CA 1.676 64.093 62.300 0.196 0.000 1.036 403 V CB -0.770 31.223 31.823 0.283 0.000 0.654 403 V HN 0.528 nan 8.190 nan 0.000 0.451 404 Q N 0.349 120.210 119.800 0.101 0.000 2.234 404 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 404 Q C 2.583 178.617 176.000 0.056 0.000 0.980 404 Q CA 1.986 57.829 55.803 0.066 0.000 0.869 404 Q CB -0.424 28.307 28.738 -0.010 0.000 0.912 404 Q HN 0.861 nan 8.270 nan 0.000 0.436 405 S N -1.405 114.334 115.700 0.065 0.000 2.371 405 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 405 S C 1.861 176.480 174.600 0.032 0.000 1.029 405 S CA 1.283 59.520 58.200 0.060 0.000 0.978 405 S CB -0.557 62.711 63.200 0.113 0.000 0.833 405 S HN 0.516 nan 8.310 nan 0.000 0.466 406 H N 1.494 120.545 119.070 -0.031 0.000 2.353 406 H HA 0.073 4.629 4.556 -0.000 0.000 0.300 406 H C 1.686 176.886 175.328 -0.214 0.000 1.090 406 H CA 1.800 57.746 56.048 -0.170 0.000 1.327 406 H CB -0.460 29.258 29.762 -0.072 0.000 1.383 406 H HN 0.306 nan 8.280 nan 0.000 0.508 407 L N 0.532 121.774 121.223 0.032 0.000 2.083 407 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 407 L C 2.080 178.919 176.870 -0.051 0.000 1.083 407 L CA 1.638 56.493 54.840 0.024 0.000 0.752 407 L CB -0.574 41.548 42.059 0.105 0.000 0.899 407 L HN 0.371 nan 8.230 nan 0.000 0.433 408 D N 0.118 120.484 120.400 -0.056 0.000 2.149 408 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 408 D C 1.959 178.224 176.300 -0.057 0.000 0.990 408 D CA 1.148 55.124 54.000 -0.040 0.000 0.839 408 D CB 0.048 40.836 40.800 -0.021 0.000 0.948 408 D HN 0.482 nan 8.370 nan 0.000 0.460 409 K N -0.465 119.829 120.400 -0.177 0.000 2.262 409 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 409 K C 0.955 177.682 176.600 0.212 0.000 1.049 409 K CA 0.416 56.633 56.287 -0.117 0.000 0.979 409 K CB 0.502 32.785 32.500 -0.362 0.000 0.773 409 K HN 0.167 nan 8.250 nan 0.000 0.474 410 F N 1.204 121.025 119.950 -0.215 0.000 2.579 410 F HA 0.205 4.732 4.527 -0.000 0.000 0.324 410 F C 1.023 176.758 175.800 -0.108 0.000 1.058 410 F CA -1.597 56.299 58.000 -0.174 0.000 0.944 410 F CB 1.729 40.589 39.000 -0.233 0.000 1.245 410 F HN -0.089 nan 8.300 nan 0.000 0.477 411 S N 1.388 117.150 115.700 0.104 0.000 2.546 411 S HA 0.793 5.263 4.470 -0.000 0.000 0.265 411 S C -0.800 173.718 174.600 -0.138 0.000 1.190 411 S CA -0.547 57.626 58.200 -0.046 0.000 1.014 411 S CB 1.086 64.242 63.200 -0.072 0.000 1.087 411 S HN 0.440 nan 8.310 nan 0.000 0.525 412 L N -3.314 117.695 121.223 -0.356 0.000 2.622 412 L HA 0.632 4.972 4.340 -0.000 0.000 0.258 412 L C -3.077 173.394 176.870 -0.666 0.000 0.996 412 L CA -2.089 52.392 54.840 -0.598 0.000 0.858 412 L CB -0.322 41.350 42.059 -0.645 0.000 1.449 412 L HN 0.444 nan 8.230 nan 0.000 0.411 413 P HA 0.071 nan 4.420 nan 0.000 0.263 413 P C -1.113 175.995 177.300 -0.320 0.000 1.195 413 P CA 0.377 63.251 63.100 -0.377 0.000 0.762 413 P CB -0.002 31.511 31.700 -0.313 0.000 0.799 414 Y N 1.860 122.095 120.300 -0.109 0.000 2.377 414 Y HA 0.055 4.605 4.550 -0.000 0.000 0.330 414 Y C 1.447 177.320 175.900 -0.045 0.000 1.108 414 Y CA 0.758 58.817 58.100 -0.067 0.000 1.308 414 Y CB 0.216 38.650 38.460 -0.043 0.000 1.216 414 Y HN 0.498 nan 8.280 nan 0.000 0.518 415 D N -0.112 120.348 120.400 0.099 0.000 3.099 415 D HA -0.202 4.438 4.640 -0.000 0.000 0.213 415 D C -0.861 175.460 176.300 0.036 0.000 1.121 415 D CA 0.785 54.827 54.000 0.069 0.000 0.951 415 D CB -1.104 39.743 40.800 0.079 0.000 1.102 415 D HN 0.551 nan 8.370 nan 0.000 0.423 416 D N 0.455 120.852 120.400 -0.006 0.000 2.317 416 D HA 0.179 4.819 4.640 -0.000 0.000 0.234 416 D C -1.029 175.275 176.300 0.005 0.000 1.112 416 D CA -1.829 52.166 54.000 -0.008 0.000 0.840 416 D CB 1.765 42.527 40.800 -0.063 0.000 1.078 416 D HN -0.025 nan 8.370 nan 0.000 0.486 417 P HA -0.125 nan 4.420 nan 0.000 0.215 417 P C 1.808 179.143 177.300 0.057 0.000 1.157 417 P CA 0.932 64.039 63.100 0.011 0.000 0.859 417 P CB 0.123 31.797 31.700 -0.043 0.000 0.786 418 I N -2.138 118.504 120.570 0.120 0.000 2.423 418 I HA -0.089 4.081 4.170 -0.000 0.000 0.254 418 I C 2.450 178.773 176.117 0.344 0.000 1.151 418 I CA 1.765 63.222 61.300 0.261 0.000 1.421 418 I CB -1.835 36.398 38.000 0.389 0.000 1.079 418 I HN -0.105 nan 8.210 nan 0.000 0.431 419 G N 1.595 110.485 108.800 0.150 0.000 2.424 419 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.214 419 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.214 419 G C 1.661 176.637 174.900 0.126 0.000 1.202 419 G CA 0.948 46.047 45.100 -0.002 0.000 0.793 419 G HN 0.254 nan 8.290 nan 0.000 0.534 420 V N 1.681 121.646 119.914 0.086 0.000 2.250 420 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 420 V C 2.831 179.060 176.094 0.225 0.000 1.060 420 V CA 1.540 63.916 62.300 0.128 0.000 1.030 420 V CB -0.405 31.482 31.823 0.106 0.000 0.643 420 V HN 0.302 nan 8.190 nan 0.000 0.445 421 I N -0.967 119.746 120.570 0.238 0.000 2.300 421 I HA -0.288 3.882 4.170 -0.000 0.000 0.252 421 I C 2.305 178.608 176.117 0.309 0.000 1.119 421 I CA 2.078 63.533 61.300 0.260 0.000 1.384 421 I CB -1.087 37.016 38.000 0.172 0.000 1.062 421 I HN 0.273 nan 8.210 nan 0.000 0.426 422 F N 1.100 121.152 119.950 0.170 0.000 2.084 422 F HA -0.195 4.332 4.527 -0.000 0.000 0.296 422 F C 2.753 178.685 175.800 0.220 0.000 1.111 422 F CA 1.328 59.447 58.000 0.198 0.000 1.224 422 F CB -0.790 38.360 39.000 0.250 0.000 0.991 422 F HN 0.099 nan 8.300 nan 0.000 0.471 423 Q N 0.043 120.054 119.800 0.353 0.000 2.152 423 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 423 Q C 2.264 178.392 176.000 0.213 0.000 0.985 423 Q CA 1.657 57.597 55.803 0.228 0.000 0.863 423 Q CB -0.432 28.399 28.738 0.154 0.000 0.904 423 Q HN 0.443 nan 8.270 nan 0.000 0.422 424 L N -1.022 120.357 121.223 0.259 0.000 2.141 424 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 424 L C 2.215 179.299 176.870 0.356 0.000 1.094 424 L CA 1.066 56.072 54.840 0.276 0.000 0.763 424 L CB -0.348 41.885 42.059 0.290 0.000 0.908 424 L HN 0.321 nan 8.230 nan 0.000 0.437 425 Y N 0.343 120.765 120.300 0.202 0.000 2.365 425 Y HA -0.021 4.529 4.550 -0.000 0.000 0.293 425 Y C 2.433 178.311 175.900 -0.038 0.000 1.119 425 Y CA 0.793 58.893 58.100 0.001 0.000 1.203 425 Y CB -0.057 38.183 38.460 -0.368 0.000 1.026 425 Y HN 0.048 nan 8.280 nan 0.000 0.549 426 A N 1.264 124.147 122.820 0.105 0.000 1.858 426 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 426 A C 1.699 179.242 177.584 -0.068 0.000 1.190 426 A CA 1.089 53.134 52.037 0.013 0.000 0.617 426 A CB -1.457 17.625 19.000 0.138 0.000 0.827 426 A HN 0.486 nan 8.150 nan 0.000 0.443 427 A N 0.825 123.641 122.820 -0.008 0.000 2.915 427 A HA 0.312 4.632 4.320 -0.000 0.000 0.292 427 A C 1.122 178.667 177.584 -0.066 0.000 1.632 427 A CA 0.208 52.225 52.037 -0.032 0.000 1.337 427 A CB -0.693 18.310 19.000 0.005 0.000 1.111 427 A HN 0.574 nan 8.150 nan 0.000 0.569 428 N N 2.236 120.858 118.700 -0.130 0.000 2.084 428 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 428 N C 1.116 176.558 175.510 -0.114 0.000 1.030 428 N CA 2.360 55.322 53.050 -0.148 0.000 0.849 428 N CB -0.084 38.268 38.487 -0.225 0.000 1.012 428 N HN 0.715 nan 8.380 nan 0.000 0.423 429 E N -0.539 119.598 120.200 -0.105 0.000 2.170 429 E HA 0.094 4.444 4.350 -0.000 0.000 0.191 429 E C 0.685 177.221 176.600 -0.106 0.000 0.981 429 E CA 0.556 56.897 56.400 -0.100 0.000 0.830 429 E CB -0.044 29.607 29.700 -0.083 0.000 0.775 429 E HN 0.382 nan 8.360 nan 0.000 0.470 430 N N 0.747 119.394 118.700 -0.088 0.000 2.313 430 N HA 0.039 4.779 4.740 -0.000 0.000 0.207 430 N C 0.716 176.173 175.510 -0.088 0.000 1.141 430 N CA 0.291 53.294 53.050 -0.079 0.000 0.830 430 N CB 0.320 38.779 38.487 -0.047 0.000 1.008 430 N HN 0.070 nan 8.380 nan 0.000 0.481 431 T N 1.515 115.990 114.554 -0.132 0.000 2.531 431 T HA -0.282 4.068 4.350 -0.000 0.000 0.261 431 T C 1.729 176.330 174.700 -0.165 0.000 1.141 431 T CA 1.690 63.698 62.100 -0.153 0.000 1.176 431 T CB -0.258 68.435 68.868 -0.291 0.000 0.863 431 T HN 0.429 nan 8.240 nan 0.000 0.424 432 E N 0.532 120.503 120.200 -0.381 0.000 2.130 432 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 432 E C 2.246 178.853 176.600 0.011 0.000 0.998 432 E CA 1.375 57.658 56.400 -0.196 0.000 0.806 432 E CB -0.089 29.452 29.700 -0.265 0.000 0.738 432 E HN 0.410 nan 8.360 nan 0.000 0.459 433 K N -0.146 120.232 120.400 -0.037 0.000 2.097 433 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 433 K C 2.144 178.752 176.600 0.013 0.000 1.050 433 K CA 0.875 57.154 56.287 -0.013 0.000 0.938 433 K CB -0.025 32.458 32.500 -0.028 0.000 0.718 433 K HN 0.122 nan 8.250 nan 0.000 0.442 434 L N 0.328 121.572 121.223 0.035 0.000 2.049 434 L HA -0.109 4.231 4.340 -0.000 0.000 0.203 434 L C 2.111 179.055 176.870 0.123 0.000 1.074 434 L CA 1.526 56.405 54.840 0.066 0.000 0.749 434 L CB -0.935 41.168 42.059 0.073 0.000 0.907 434 L HN 0.219 nan 8.230 nan 0.000 0.439 435 Y N 0.989 121.321 120.300 0.052 0.000 2.040 435 Y HA -0.347 4.203 4.550 -0.000 0.000 0.275 435 Y C 2.450 178.406 175.900 0.094 0.000 1.171 435 Y CA 2.369 60.535 58.100 0.109 0.000 1.123 435 Y CB -0.586 37.994 38.460 0.201 0.000 0.963 435 Y HN 0.186 nan 8.280 nan 0.000 0.493 436 K N -0.030 120.240 120.400 -0.217 0.000 2.044 436 K HA -0.276 4.044 4.320 -0.000 0.000 0.210 436 K C 2.229 178.734 176.600 -0.157 0.000 1.049 436 K CA 1.984 58.092 56.287 -0.298 0.000 0.927 436 K CB -0.354 32.075 32.500 -0.118 0.000 0.713 436 K HN 0.512 nan 8.250 nan 0.000 0.443 437 E N 0.486 120.650 120.200 -0.060 0.000 2.153 437 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 437 E C 1.757 178.350 176.600 -0.012 0.000 0.988 437 E CA 0.850 57.235 56.400 -0.024 0.000 0.811 437 E CB 0.266 29.967 29.700 0.001 0.000 0.746 437 E HN 0.050 nan 8.360 nan 0.000 0.466 438 V N 0.286 120.202 119.914 0.002 0.000 2.649 438 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 438 V C 2.221 178.323 176.094 0.014 0.000 1.054 438 V CA 1.258 63.581 62.300 0.039 0.000 1.073 438 V CB -0.335 31.556 31.823 0.113 0.000 0.699 438 V HN 0.111 nan 8.190 nan 0.000 0.463 439 R N 0.583 121.038 120.500 -0.076 0.000 2.303 439 R HA -0.136 4.204 4.340 -0.000 0.000 0.225 439 R C 2.053 178.334 176.300 -0.033 0.000 1.114 439 R CA 1.170 57.215 56.100 -0.092 0.000 1.007 439 R CB -0.401 29.719 30.300 -0.299 0.000 0.861 439 R HN 0.615 nan 8.270 nan 0.000 0.471 440 Q N -0.778 119.010 119.800 -0.022 0.000 2.451 440 Q HA 0.032 4.372 4.340 -0.000 0.000 0.206 440 Q C 0.526 176.540 176.000 0.023 0.000 0.947 440 Q CA 0.755 56.558 55.803 0.000 0.000 0.937 440 Q CB 0.445 29.182 28.738 -0.002 0.000 1.025 440 Q HN 0.268 nan 8.270 nan 0.000 0.511 441 R N -0.854 119.666 120.500 0.034 0.000 2.616 441 R HA 0.159 4.499 4.340 -0.000 0.000 0.427 441 R C 0.243 176.579 176.300 0.060 0.000 1.030 441 R CA -0.037 56.092 56.100 0.048 0.000 1.133 441 R CB 0.660 30.992 30.300 0.053 0.000 1.444 441 R HN -0.118 nan 8.270 nan 0.000 0.578 442 T N 1.810 116.402 114.554 0.063 0.000 3.722 442 T HA 0.031 4.381 4.350 -0.000 0.000 0.247 442 T C 0.967 175.724 174.700 0.094 0.000 1.004 442 T CA 0.414 62.566 62.100 0.087 0.000 0.947 442 T CB -0.484 68.444 68.868 0.100 0.000 1.114 442 T HN 0.177 nan 8.240 nan 0.000 0.633 443 N N 0.834 119.582 118.700 0.081 0.000 2.461 443 N HA 0.125 4.865 4.740 -0.000 0.000 0.188 443 N C 1.649 177.209 175.510 0.084 0.000 1.134 443 N CA 0.140 53.240 53.050 0.082 0.000 0.878 443 N CB 0.297 38.825 38.487 0.070 0.000 0.972 443 N HN 0.498 nan 8.380 nan 0.000 0.456 444 A N -0.089 122.781 122.820 0.083 0.000 1.956 444 A HA 0.201 4.521 4.320 -0.000 0.000 0.212 444 A C 0.968 178.596 177.584 0.073 0.000 1.188 444 A CA 0.119 52.199 52.037 0.071 0.000 0.675 444 A CB 0.094 19.128 19.000 0.058 0.000 0.845 444 A HN 0.155 nan 8.150 nan 0.000 0.455 445 L N 2.093 123.382 121.223 0.109 0.000 2.312 445 L HA 0.162 4.502 4.340 -0.000 0.000 0.287 445 L C -0.545 176.447 176.870 0.203 0.000 1.091 445 L CA -0.671 54.261 54.840 0.152 0.000 0.846 445 L CB 0.530 42.730 42.059 0.235 0.000 1.219 445 L HN 0.274 nan 8.230 nan 0.000 0.439 446 D N 2.512 123.032 120.400 0.200 0.000 2.581 446 D HA -0.075 4.564 4.640 -0.000 0.000 0.238 446 D C 1.197 177.655 176.300 0.264 0.000 1.145 446 D CA 0.104 54.243 54.000 0.231 0.000 0.866 446 D CB 1.268 42.224 40.800 0.260 0.000 1.151 446 D HN 0.236 nan 8.370 nan 0.000 0.500 447 V N 3.702 123.751 119.914 0.225 0.000 2.363 447 V HA -0.316 3.804 4.120 -0.000 0.000 0.254 447 V C 2.333 178.518 176.094 0.151 0.000 1.074 447 V CA 2.463 64.894 62.300 0.218 0.000 1.069 447 V CB -0.693 31.274 31.823 0.238 0.000 0.659 447 V HN 0.767 nan 8.190 nan 0.000 0.455 448 Q N -1.278 118.589 119.800 0.110 0.000 2.123 448 Q HA -0.210 4.130 4.340 -0.000 0.000 0.199 448 Q C 2.151 178.189 176.000 0.062 0.000 0.966 448 Q CA 1.805 57.486 55.803 -0.204 0.000 0.845 448 Q CB -0.133 28.589 28.738 -0.028 0.000 0.907 448 Q HN 0.637 nan 8.270 nan 0.000 0.439 449 F N 0.476 120.488 119.950 0.104 0.000 2.113 449 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 449 F C 2.253 178.044 175.800 -0.015 0.000 1.103 449 F CA 1.121 59.162 58.000 0.068 0.000 1.248 449 F CB -0.650 38.367 39.000 0.027 0.000 0.999 449 F HN 0.182 nan 8.300 nan 0.000 0.475 450 C N -0.045 119.309 119.300 0.090 0.000 2.359 450 C HA -0.298 4.162 4.460 -0.000 0.000 0.279 450 C C 2.574 177.417 174.990 -0.245 0.000 1.191 450 C CA 1.530 60.508 59.018 -0.066 0.000 1.764 450 C CB -1.831 26.006 27.740 0.162 0.000 2.026 450 C HN 0.828 nan 8.230 nan 0.000 0.442 451 W N -0.178 120.955 121.300 -0.279 0.000 2.290 451 W HA -0.304 4.356 4.660 -0.000 0.000 0.328 451 W C 2.546 178.811 176.519 -0.423 0.000 1.272 451 W CA 2.193 59.337 57.345 -0.336 0.000 1.262 451 W CB -1.101 28.134 29.460 -0.375 0.000 1.151 451 W HN 0.509 nan 8.180 nan 0.000 0.473 452 Y N 0.332 120.392 120.300 -0.400 0.000 2.193 452 Y HA -0.297 4.253 4.550 -0.000 0.000 0.285 452 Y C 2.523 177.823 175.900 -1.000 0.000 1.166 452 Y CA 2.388 60.084 58.100 -0.675 0.000 1.181 452 Y CB -0.892 37.369 38.460 -0.332 0.000 0.976 452 Y HN 0.131 nan 8.280 nan 0.000 0.520 453 L N -0.515 120.159 121.223 -0.914 0.000 1.988 453 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 453 L C 2.269 178.617 176.870 -0.871 0.000 1.071 453 L CA 1.773 56.083 54.840 -0.883 0.000 0.744 453 L CB -0.530 41.040 42.059 -0.815 0.000 0.893 453 L HN 0.201 nan 8.230 nan 0.000 0.433 454 I N -0.361 119.602 120.570 -1.012 0.000 2.300 454 I HA -0.364 3.806 4.170 -0.000 0.000 0.252 454 I C 2.372 177.977 176.117 -0.854 0.000 1.119 454 I CA 1.259 61.803 61.300 -1.261 0.000 1.384 454 I CB -0.277 36.973 38.000 -1.250 0.000 1.062 454 I HN 0.454 nan 8.210 nan 0.000 0.426 455 Q N -0.184 119.081 119.800 -0.892 0.000 2.212 455 Q HA -0.055 4.285 4.340 -0.000 0.000 0.199 455 Q C 2.159 177.811 176.000 -0.580 0.000 0.950 455 Q CA 1.266 56.648 55.803 -0.701 0.000 0.863 455 Q CB -0.022 28.095 28.738 -1.035 0.000 0.944 455 Q HN 0.339 nan 8.270 nan 0.000 0.465 456 T N 0.278 114.359 114.554 -0.788 0.000 2.985 456 T HA 0.052 4.402 4.350 -0.000 0.000 0.266 456 T C 1.492 176.031 174.700 -0.268 0.000 1.076 456 T CA 0.520 62.263 62.100 -0.595 0.000 1.135 456 T CB 0.037 68.390 68.868 -0.858 0.000 0.890 456 T HN 0.165 nan 8.240 nan 0.000 0.480 457 L N 0.150 121.214 121.223 -0.265 0.000 2.068 457 L HA 0.085 4.425 4.340 -0.000 0.000 0.204 457 L C 2.870 179.735 176.870 -0.009 0.000 1.076 457 L CA 1.069 55.871 54.840 -0.062 0.000 0.753 457 L CB -0.381 41.684 42.059 0.009 0.000 0.910 457 L HN 0.092 nan 8.230 nan 0.000 0.439 458 R N -0.320 120.150 120.500 -0.051 0.000 2.081 458 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 458 R C 1.817 178.094 176.300 -0.039 0.000 1.131 458 R CA 1.597 57.685 56.100 -0.020 0.000 0.960 458 R CB -0.089 30.187 30.300 -0.039 0.000 0.856 458 R HN 0.154 nan 8.270 nan 0.000 0.436 459 F N -0.012 119.826 119.950 -0.187 0.000 2.773 459 F HA 0.125 4.652 4.527 -0.000 0.000 0.304 459 F C 1.190 176.923 175.800 -0.112 0.000 1.129 459 F CA 0.349 58.253 58.000 -0.160 0.000 1.378 459 F CB 0.318 39.201 39.000 -0.195 0.000 1.095 459 F HN 0.018 nan 8.300 nan 0.000 0.565 460 N N -0.939 117.793 118.700 0.052 0.000 2.166 460 N HA 0.128 4.868 4.740 -0.000 0.000 0.213 460 N C 1.648 177.170 175.510 0.019 0.000 1.222 460 N CA 0.893 53.965 53.050 0.037 0.000 0.900 460 N CB 1.081 39.595 38.487 0.045 0.000 1.055 460 N HN 0.216 nan 8.380 nan 0.000 0.515 461 G N 0.914 109.713 108.800 -0.002 0.000 2.184 461 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 461 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 461 G C 1.114 176.025 174.900 0.019 0.000 0.975 461 G CA 1.227 46.322 45.100 -0.009 0.000 0.642 461 G HN 0.321 nan 8.290 nan 0.000 0.536 462 T N 0.138 114.724 114.554 0.053 0.000 2.684 462 T HA 0.063 4.413 4.350 -0.000 0.000 0.267 462 T C 1.367 176.120 174.700 0.088 0.000 1.036 462 T CA 1.647 63.804 62.100 0.095 0.000 1.148 462 T CB 0.028 69.002 68.868 0.177 0.000 0.863 462 T HN 0.525 nan 8.240 nan 0.000 0.436 463 R N -0.168 120.383 120.500 0.085 0.000 2.795 463 R HA 0.514 4.854 4.340 -0.000 0.000 0.268 463 R C -1.331 174.965 176.300 -0.007 0.000 1.041 463 R CA -0.859 55.262 56.100 0.035 0.000 0.927 463 R CB 1.021 31.349 30.300 0.047 0.000 1.235 463 R HN 0.031 nan 8.270 nan 0.000 0.463 464 V N 0.700 120.533 119.914 -0.134 0.000 2.372 464 V HA 0.485 4.605 4.120 -0.000 0.000 0.261 464 V C -0.275 175.613 176.094 -0.344 0.000 1.055 464 V CA -0.316 61.883 62.300 -0.170 0.000 0.930 464 V CB -0.491 31.233 31.823 -0.165 0.000 1.031 464 V HN 0.428 nan 8.190 nan 0.000 0.479 465 F N 1.742 121.654 119.950 -0.063 0.000 2.540 465 F HA 0.547 5.074 4.527 -0.000 0.000 0.317 465 F C 0.854 176.623 175.800 -0.051 0.000 1.104 465 F CA -0.253 57.711 58.000 -0.060 0.000 0.913 465 F CB 2.365 41.305 39.000 -0.100 0.000 1.170 465 F HN 0.454 nan 8.300 nan 0.000 0.450 466 S N 2.572 118.383 115.700 0.186 0.000 2.593 466 S HA 0.145 4.615 4.470 -0.000 0.000 0.269 466 S C 1.215 175.866 174.600 0.085 0.000 1.334 466 S CA -0.568 57.692 58.200 0.099 0.000 1.015 466 S CB 1.188 64.439 63.200 0.084 0.000 0.912 466 S HN 0.629 nan 8.310 nan 0.000 0.541 467 K N 1.386 121.806 120.400 0.034 0.000 2.062 467 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 467 K C 2.050 178.654 176.600 0.008 0.000 1.051 467 K CA 1.024 57.317 56.287 0.010 0.000 0.941 467 K CB -0.071 32.425 32.500 -0.005 0.000 0.719 467 K HN 0.661 nan 8.250 nan 0.000 0.440 468 E N 0.594 120.806 120.200 0.021 0.000 2.077 468 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 468 E C 1.763 178.378 176.600 0.025 0.000 0.989 468 E CA 1.325 57.734 56.400 0.015 0.000 0.800 468 E CB -0.729 28.988 29.700 0.028 0.000 0.746 468 E HN 0.078 nan 8.360 nan 0.000 0.452 469 T N 1.283 115.888 114.554 0.084 0.000 2.812 469 T HA -0.131 4.219 4.350 -0.000 0.000 0.264 469 T C 2.002 176.754 174.700 0.086 0.000 1.042 469 T CA 1.553 63.739 62.100 0.144 0.000 1.140 469 T CB -0.223 68.828 68.868 0.305 0.000 0.870 469 T HN 0.325 nan 8.240 nan 0.000 0.445 470 S N 1.450 117.170 115.700 0.034 0.000 2.354 470 S HA -0.195 4.275 4.470 -0.000 0.000 0.219 470 S C 1.769 176.329 174.600 -0.067 0.000 1.035 470 S CA 1.880 60.044 58.200 -0.060 0.000 1.037 470 S CB -0.665 62.501 63.200 -0.056 0.000 0.956 470 S HN 0.371 nan 8.310 nan 0.000 0.428 471 D N 0.989 121.315 120.400 -0.124 0.000 2.149 471 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 471 D C 1.966 177.921 176.300 -0.575 0.000 0.990 471 D CA 1.280 55.075 54.000 -0.342 0.000 0.839 471 D CB -0.607 39.965 40.800 -0.379 0.000 0.948 471 D HN 0.741 nan 8.370 nan 0.000 0.460 472 E N 0.443 120.466 120.200 -0.296 0.000 2.070 472 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 472 E C 1.573 178.146 176.600 -0.045 0.000 1.004 472 E CA 1.426 57.731 56.400 -0.157 0.000 0.805 472 E CB -0.057 29.644 29.700 0.002 0.000 0.744 472 E HN 0.209 nan 8.360 nan 0.000 0.451 473 A N -0.339 122.502 122.820 0.035 0.000 2.251 473 A HA 0.057 4.377 4.320 -0.000 0.000 0.209 473 A C 1.867 179.597 177.584 0.242 0.000 1.187 473 A CA 0.771 52.901 52.037 0.155 0.000 0.823 473 A CB 0.027 19.137 19.000 0.183 0.000 0.846 473 A HN 0.262 nan 8.150 nan 0.000 0.486 474 T N -1.351 113.292 114.554 0.147 0.000 3.044 474 T HA 0.144 4.494 4.350 -0.000 0.000 0.255 474 T C 1.364 176.180 174.700 0.194 0.000 1.073 474 T CA 0.437 62.700 62.100 0.272 0.000 1.125 474 T CB -0.306 68.725 68.868 0.272 0.000 0.908 474 T HN 0.544 nan 8.240 nan 0.000 0.480 475 F N 1.687 121.705 119.950 0.113 0.000 2.163 475 F HA 0.022 4.549 4.527 -0.000 0.000 0.297 475 F C 2.840 178.651 175.800 0.018 0.000 1.094 475 F CA 0.287 58.306 58.000 0.031 0.000 1.290 475 F CB -0.346 38.669 39.000 0.025 0.000 1.017 475 F HN 0.128 nan 8.300 nan 0.000 0.483 476 A N 1.116 124.096 122.820 0.268 0.000 1.863 476 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 476 A C 1.960 179.656 177.584 0.188 0.000 1.233 476 A CA 2.245 54.406 52.037 0.207 0.000 0.655 476 A CB -1.492 17.640 19.000 0.219 0.000 0.839 476 A HN 0.408 nan 8.150 nan 0.000 0.454 477 F N 0.691 120.633 119.950 -0.014 0.000 2.060 477 F HA 0.021 4.548 4.527 -0.000 0.000 0.295 477 F C 2.622 178.311 175.800 -0.186 0.000 1.120 477 F CA 1.190 59.109 58.000 -0.135 0.000 1.205 477 F CB -0.934 37.863 39.000 -0.339 0.000 0.986 477 F HN 0.258 nan 8.300 nan 0.000 0.470 478 A N 0.001 122.675 122.820 -0.242 0.000 2.139 478 A HA -0.090 4.230 4.320 -0.000 0.000 0.221 478 A C 2.269 179.689 177.584 -0.274 0.000 1.159 478 A CA 1.850 53.696 52.037 -0.319 0.000 0.662 478 A CB -1.434 17.503 19.000 -0.105 0.000 0.796 478 A HN 0.532 nan 8.150 nan 0.000 0.463 479 A N -1.800 120.883 122.820 -0.228 0.000 1.943 479 A HA 0.024 4.344 4.320 -0.000 0.000 0.213 479 A C 2.067 179.387 177.584 -0.441 0.000 1.181 479 A CA 1.014 52.829 52.037 -0.371 0.000 0.653 479 A CB -0.252 18.554 19.000 -0.323 0.000 0.833 479 A HN 0.407 nan 8.150 nan 0.000 0.451 480 Q N 0.351 120.027 119.800 -0.207 0.000 2.084 480 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 480 Q C 2.028 177.964 176.000 -0.107 0.000 0.978 480 Q CA 1.223 57.007 55.803 -0.032 0.000 0.844 480 Q CB -0.573 28.197 28.738 0.054 0.000 0.898 480 Q HN 0.715 nan 8.270 nan 0.000 0.426 481 L N 0.382 121.423 121.223 -0.303 0.000 2.353 481 L HA -0.139 4.201 4.340 -0.000 0.000 0.220 481 L C 2.264 179.058 176.870 -0.126 0.000 1.133 481 L CA 0.825 55.490 54.840 -0.292 0.000 0.798 481 L CB -0.328 41.463 42.059 -0.446 0.000 0.922 481 L HN 0.264 nan 8.230 nan 0.000 0.445 482 E N 0.480 120.599 120.200 -0.134 0.000 2.051 482 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 482 E C 2.136 178.831 176.600 0.160 0.000 0.979 482 E CA 0.865 57.251 56.400 -0.024 0.000 0.803 482 E CB -0.045 29.518 29.700 -0.228 0.000 0.761 482 E HN 0.463 nan 8.360 nan 0.000 0.451 483 F N -0.119 119.842 119.950 0.018 0.000 2.494 483 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 483 F C 1.564 177.371 175.800 0.013 0.000 1.106 483 F CA -0.072 57.947 58.000 0.031 0.000 1.452 483 F CB 0.262 39.283 39.000 0.035 0.000 1.085 483 F HN 0.060 nan 8.300 nan 0.000 0.569 484 A N -0.092 122.821 122.820 0.155 0.000 2.708 484 A HA 0.168 4.488 4.320 -0.000 0.000 0.293 484 A C 0.995 178.570 177.584 -0.014 0.000 1.303 484 A CA -0.285 51.785 52.037 0.054 0.000 0.949 484 A CB -0.264 18.701 19.000 -0.058 0.000 1.121 484 A HN 0.266 nan 8.150 nan 0.000 0.542 485 Q N -0.804 119.003 119.800 0.012 0.000 2.374 485 Q HA -0.198 4.142 4.340 -0.000 0.000 0.281 485 Q C -0.589 175.173 176.000 -0.398 0.000 1.154 485 Q CA 1.056 56.766 55.803 -0.155 0.000 0.926 485 Q CB -1.952 26.729 28.738 -0.096 0.000 1.308 485 Q HN 0.664 nan 8.270 nan 0.000 0.520 486 L N 1.030 122.100 121.223 -0.255 0.000 2.701 486 L HA 0.214 4.554 4.340 -0.000 0.000 0.237 486 L C 0.414 177.238 176.870 -0.077 0.000 1.204 486 L CA -0.772 53.926 54.840 -0.237 0.000 1.109 486 L CB 0.173 42.063 42.059 -0.282 0.000 1.409 486 L HN 0.221 nan 8.230 nan 0.000 0.428 487 H N 0.550 119.597 119.070 -0.039 0.000 2.567 487 H HA 0.011 4.567 4.556 -0.000 0.000 0.281 487 H C 1.629 176.960 175.328 0.005 0.000 1.055 487 H CA 0.535 56.569 56.048 -0.023 0.000 1.185 487 H CB -0.225 29.532 29.762 -0.009 0.000 1.325 487 H HN 0.575 nan 8.280 nan 0.000 0.622 488 G N -0.445 108.417 108.800 0.103 0.000 2.497 488 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.210 488 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.210 488 G C 1.393 176.375 174.900 0.136 0.000 1.177 488 G CA -0.017 45.151 45.100 0.113 0.000 0.822 488 G HN 0.366 nan 8.290 nan 0.000 0.550 489 H N 0.549 119.557 119.070 -0.105 0.000 2.353 489 H HA 0.044 4.600 4.556 -0.000 0.000 0.300 489 H C 2.905 178.128 175.328 -0.176 0.000 1.090 489 H CA 1.344 57.273 56.048 -0.199 0.000 1.327 489 H CB -0.226 29.332 29.762 -0.340 0.000 1.383 489 H HN 0.310 nan 8.280 nan 0.000 0.508 490 S N -0.500 115.171 115.700 -0.049 0.000 2.426 490 S HA -0.164 4.306 4.470 -0.000 0.000 0.220 490 S C 2.187 176.769 174.600 -0.030 0.000 1.040 490 S CA 1.383 59.524 58.200 -0.098 0.000 1.094 490 S CB -0.564 62.615 63.200 -0.034 0.000 1.072 490 S HN 0.227 nan 8.310 nan 0.000 0.415 491 L N 0.851 122.092 121.223 0.030 0.000 2.054 491 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 491 L C 2.136 179.061 176.870 0.091 0.000 1.081 491 L CA 2.220 57.094 54.840 0.056 0.000 0.780 491 L CB -1.154 40.946 42.059 0.068 0.000 0.893 491 L HN 0.514 nan 8.230 nan 0.000 0.438 492 F N -0.639 119.274 119.950 -0.062 0.000 2.026 492 F HA -0.263 4.264 4.527 -0.000 0.000 0.296 492 F C 2.348 178.117 175.800 -0.052 0.000 1.133 492 F CA 2.091 60.054 58.000 -0.061 0.000 1.188 492 F CB -0.782 38.124 39.000 -0.157 0.000 0.968 492 F HN -0.125 nan 8.300 nan 0.000 0.476 493 V N 0.122 120.142 119.914 0.178 0.000 2.252 493 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 493 V C 2.530 178.666 176.094 0.070 0.000 1.056 493 V CA 2.261 64.494 62.300 -0.111 0.000 1.022 493 V CB -1.279 30.258 31.823 -0.478 0.000 0.641 493 V HN 0.464 nan 8.190 nan 0.000 0.445 494 S N -1.266 114.471 115.700 0.060 0.000 2.423 494 S HA -0.282 4.188 4.470 -0.000 0.000 0.238 494 S C 1.790 176.507 174.600 0.194 0.000 1.028 494 S CA 1.785 60.068 58.200 0.138 0.000 1.000 494 S CB -0.684 62.568 63.200 0.087 0.000 0.797 494 S HN 0.691 nan 8.310 nan 0.000 0.487 495 C N 0.577 119.981 119.300 0.173 0.000 2.466 495 C HA 0.095 4.555 4.460 -0.000 0.000 0.283 495 C C 1.687 176.799 174.990 0.202 0.000 1.472 495 C CA -0.118 58.982 59.018 0.138 0.000 1.765 495 C CB -1.879 25.866 27.740 0.009 0.000 1.724 495 C HN 0.499 nan 8.230 nan 0.000 0.560 496 F N -0.034 119.949 119.950 0.054 0.000 2.797 496 F HA 0.223 4.750 4.527 -0.000 0.000 0.302 496 F C 1.054 176.919 175.800 0.109 0.000 1.130 496 F CA -0.024 58.046 58.000 0.116 0.000 1.387 496 F CB -0.467 38.703 39.000 0.282 0.000 1.107 496 F HN 0.002 nan 8.300 nan 0.000 0.577 497 L N 0.850 122.220 121.223 0.246 0.000 2.456 497 L HA 0.023 4.363 4.340 -0.000 0.000 0.272 497 L C 1.371 178.293 176.870 0.086 0.000 1.189 497 L CA 0.343 55.278 54.840 0.158 0.000 0.846 497 L CB 0.144 42.325 42.059 0.204 0.000 1.111 497 L HN 0.050 nan 8.230 nan 0.000 0.475 498 N N 0.742 119.470 118.700 0.047 0.000 2.402 498 N HA -0.059 4.681 4.740 -0.000 0.000 0.174 498 N C 0.114 175.637 175.510 0.022 0.000 1.027 498 N CA 0.409 53.469 53.050 0.015 0.000 0.891 498 N CB 0.190 38.673 38.487 -0.007 0.000 1.016 498 N HN 0.589 nan 8.380 nan 0.000 0.439 499 D N 2.626 123.053 120.400 0.046 0.000 2.441 499 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 499 D C 0.147 176.468 176.300 0.036 0.000 1.257 499 D CA -0.051 53.979 54.000 0.049 0.000 1.027 499 D CB 0.357 41.211 40.800 0.090 0.000 1.084 499 D HN 0.089 nan 8.370 nan 0.000 0.514 500 D N 2.629 123.036 120.400 0.010 0.000 2.254 500 D HA -0.240 4.400 4.640 -0.000 0.000 0.201 500 D C 1.623 177.892 176.300 -0.052 0.000 0.998 500 D CA 1.091 55.084 54.000 -0.013 0.000 0.885 500 D CB 0.383 41.173 40.800 -0.016 0.000 0.915 500 D HN 0.329 nan 8.370 nan 0.000 0.460 501 K N 1.111 121.489 120.400 -0.036 0.000 1.991 501 K HA 0.020 4.340 4.320 -0.000 0.000 0.207 501 K C 1.979 178.538 176.600 -0.067 0.000 1.045 501 K CA 1.502 57.752 56.287 -0.062 0.000 0.937 501 K CB -0.706 31.775 32.500 -0.032 0.000 0.720 501 K HN 0.007 nan 8.250 nan 0.000 0.438 502 A N 0.569 123.388 122.820 -0.002 0.000 1.933 502 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 502 A C 2.327 179.920 177.584 0.015 0.000 1.175 502 A CA 2.139 54.186 52.037 0.018 0.000 0.628 502 A CB -1.055 18.036 19.000 0.152 0.000 0.814 502 A HN 0.411 nan 8.150 nan 0.000 0.444 503 A N -0.238 122.605 122.820 0.039 0.000 1.851 503 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 503 A C 2.092 179.658 177.584 -0.029 0.000 1.195 503 A CA 1.882 53.951 52.037 0.053 0.000 0.622 503 A CB -0.695 18.347 19.000 0.070 0.000 0.831 503 A HN 0.649 nan 8.150 nan 0.000 0.444 504 E N -0.354 119.708 120.200 -0.231 0.000 2.038 504 E HA -0.302 4.048 4.350 -0.000 0.000 0.195 504 E C 1.732 178.107 176.600 -0.375 0.000 1.000 504 E CA 1.751 57.700 56.400 -0.751 0.000 0.803 504 E CB -0.303 28.812 29.700 -0.975 0.000 0.750 504 E HN 0.553 nan 8.360 nan 0.000 0.448 505 D N -0.645 119.617 120.400 -0.229 0.000 2.127 505 D HA -0.173 4.467 4.640 -0.000 0.000 0.190 505 D C 1.869 178.117 176.300 -0.086 0.000 1.000 505 D CA 2.399 56.317 54.000 -0.137 0.000 0.839 505 D CB -0.236 40.496 40.800 -0.114 0.000 0.955 505 D HN 0.158 nan 8.370 nan 0.000 0.446 506 T N -0.043 114.469 114.554 -0.069 0.000 2.614 506 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 506 T C 2.138 176.834 174.700 -0.006 0.000 1.055 506 T CA 1.262 63.328 62.100 -0.056 0.000 1.162 506 T CB -0.461 68.382 68.868 -0.042 0.000 0.863 506 T HN 0.161 nan 8.240 nan 0.000 0.414 507 I N 1.260 121.868 120.570 0.064 0.000 2.145 507 I HA -0.308 3.862 4.170 -0.000 0.000 0.244 507 I C 2.599 178.797 176.117 0.136 0.000 1.075 507 I CA 1.715 63.091 61.300 0.126 0.000 1.332 507 I CB -0.433 37.724 38.000 0.262 0.000 1.033 507 I HN 0.269 nan 8.210 nan 0.000 0.410 508 K N 1.226 121.744 120.400 0.197 0.000 2.032 508 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 508 K C 2.368 178.992 176.600 0.039 0.000 1.048 508 K CA 1.635 58.014 56.287 0.154 0.000 0.927 508 K CB -0.170 32.407 32.500 0.128 0.000 0.712 508 K HN 0.164 nan 8.250 nan 0.000 0.441 509 R N 0.288 120.786 120.500 -0.004 0.000 2.075 509 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 509 R C 2.361 178.620 176.300 -0.069 0.000 1.140 509 R CA 1.652 57.725 56.100 -0.045 0.000 0.928 509 R CB -0.599 29.661 30.300 -0.068 0.000 0.834 509 R HN 0.237 nan 8.270 nan 0.000 0.429 510 L N 0.665 121.837 121.223 -0.085 0.000 2.021 510 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 510 L C 2.348 179.135 176.870 -0.138 0.000 1.074 510 L CA 1.607 56.360 54.840 -0.145 0.000 0.760 510 L CB -0.504 41.478 42.059 -0.127 0.000 0.889 510 L HN 0.120 nan 8.230 nan 0.000 0.433 511 V N -1.404 118.473 119.914 -0.062 0.000 2.283 511 V HA -0.294 3.826 4.120 -0.000 0.000 0.243 511 V C 2.528 178.597 176.094 -0.043 0.000 1.039 511 V CA 1.609 63.885 62.300 -0.040 0.000 1.016 511 V CB -0.437 31.381 31.823 -0.008 0.000 0.650 511 V HN 0.373 nan 8.190 nan 0.000 0.449 512 M N -0.310 119.269 119.600 -0.035 0.000 2.146 512 M HA -0.269 4.211 4.480 -0.000 0.000 0.256 512 M C 2.263 178.525 176.300 -0.064 0.000 1.075 512 M CA 2.019 57.293 55.300 -0.042 0.000 1.082 512 M CB -1.194 31.384 32.600 -0.037 0.000 1.355 512 M HN 0.372 nan 8.290 nan 0.000 0.402 513 R N 0.030 120.482 120.500 -0.079 0.000 2.112 513 R HA -0.034 4.306 4.340 -0.000 0.000 0.216 513 R C 0.378 176.637 176.300 -0.068 0.000 1.080 513 R CA 0.789 56.836 56.100 -0.088 0.000 0.996 513 R CB 0.433 30.674 30.300 -0.099 0.000 0.902 513 R HN 0.208 nan 8.270 nan 0.000 0.449 514 E N 0.967 121.123 120.200 -0.073 0.000 2.939 514 E HA 0.098 4.448 4.350 -0.000 0.000 0.215 514 E C 0.977 177.604 176.600 0.044 0.000 1.025 514 E CA -0.145 56.258 56.400 0.004 0.000 1.259 514 E CB 0.671 30.372 29.700 0.002 0.000 1.228 514 E HN 0.385 nan 8.360 nan 0.000 0.443 515 I N 0.425 121.005 120.570 0.017 0.000 2.142 515 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 515 I C 2.135 178.280 176.117 0.047 0.000 1.078 515 I CA 1.474 62.791 61.300 0.029 0.000 1.343 515 I CB -0.518 37.489 38.000 0.013 0.000 1.046 515 I HN 0.088 nan 8.210 nan 0.000 0.405 516 T N 1.356 115.935 114.554 0.043 0.000 2.699 516 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 516 T C 1.840 176.573 174.700 0.054 0.000 1.036 516 T CA 1.181 63.309 62.100 0.046 0.000 1.147 516 T CB -0.405 68.488 68.868 0.042 0.000 0.862 516 T HN 0.098 nan 8.240 nan 0.000 0.446 517 L N 0.465 121.731 121.223 0.072 0.000 2.275 517 L HA 0.177 4.517 4.340 -0.000 0.000 0.215 517 L C 1.636 178.556 176.870 0.083 0.000 1.119 517 L CA 1.326 56.214 54.840 0.079 0.000 0.790 517 L CB -0.788 41.349 42.059 0.130 0.000 0.919 517 L HN 0.329 nan 8.230 nan 0.000 0.443 518 L N -1.711 119.567 121.223 0.093 0.000 2.700 518 L HA 0.146 4.486 4.340 -0.000 0.000 0.234 518 L C 1.536 178.453 176.870 0.079 0.000 1.156 518 L CA -0.359 54.536 54.840 0.092 0.000 0.946 518 L CB -0.198 41.918 42.059 0.095 0.000 1.216 518 L HN 0.068 nan 8.230 nan 0.000 0.493 519 R N 0.530 121.069 120.500 0.064 0.000 2.120 519 R HA 0.401 4.741 4.340 -0.000 0.000 0.117 519 R C 1.933 178.261 176.300 0.047 0.000 1.688 519 R CA 0.502 56.637 56.100 0.058 0.000 1.540 519 R CB -0.949 29.381 30.300 0.050 0.000 1.245 519 R HN -0.031 nan 8.270 nan 0.000 0.482 520 A N 0.673 123.514 122.820 0.035 0.000 2.131 520 A HA -0.254 4.065 4.320 -0.000 0.000 0.224 520 A C 1.954 179.544 177.584 0.009 0.000 1.172 520 A CA 2.970 55.019 52.037 0.021 0.000 0.672 520 A CB -0.497 18.515 19.000 0.020 0.000 0.815 520 A HN 0.577 nan 8.150 nan 0.000 0.477 521 S N -3.793 111.917 115.700 0.016 0.000 2.651 521 S HA 0.051 4.521 4.470 -0.000 0.000 0.259 521 S C 0.921 175.531 174.600 0.016 0.000 1.073 521 S CA 0.814 59.019 58.200 0.008 0.000 1.090 521 S CB -0.163 63.042 63.200 0.009 0.000 1.042 521 S HN 0.330 nan 8.310 nan 0.000 0.581 522 T N 3.337 117.914 114.554 0.038 0.000 3.829 522 T HA 0.218 4.568 4.350 -0.000 0.000 0.251 522 T C 0.291 175.047 174.700 0.093 0.000 1.030 522 T CA 0.683 62.818 62.100 0.059 0.000 0.954 522 T CB -1.174 67.736 68.868 0.070 0.000 1.120 522 T HN 0.641 nan 8.240 nan 0.000 0.633 523 N N 1.186 119.902 118.700 0.027 0.000 3.002 523 N HA -0.165 4.575 4.740 -0.000 0.000 0.229 523 N C -0.396 174.898 175.510 -0.359 0.000 0.927 523 N CA 0.852 53.860 53.050 -0.070 0.000 0.980 523 N CB -1.119 37.427 38.487 0.098 0.000 1.077 523 N HN 0.502 nan 8.380 nan 0.000 0.572 524 D N -0.725 119.598 120.400 -0.129 0.000 3.082 524 D HA -0.268 4.372 4.640 -0.000 0.000 0.234 524 D C 0.218 176.480 176.300 -0.064 0.000 1.159 524 D CA 2.076 56.015 54.000 -0.101 0.000 0.875 524 D CB -0.910 39.817 40.800 -0.122 0.000 0.946 524 D HN 0.858 nan 8.370 nan 0.000 0.411 525 H N -0.791 118.299 119.070 0.034 0.000 1.797 525 H HA -0.080 4.476 4.556 -0.000 0.000 0.115 525 H C 2.021 177.373 175.328 0.039 0.000 0.908 525 H CA 0.401 56.470 56.048 0.034 0.000 0.413 525 H CB -1.424 28.358 29.762 0.033 0.000 0.314 525 H HN 0.235 nan 8.280 nan 0.000 0.208 526 I N 2.284 122.952 120.570 0.164 0.000 2.267 526 I HA -0.423 3.747 4.170 -0.000 0.000 0.239 526 I C 2.469 178.581 176.117 -0.009 0.000 0.984 526 I CA 2.745 64.016 61.300 -0.050 0.000 1.272 526 I CB -0.612 37.431 38.000 0.072 0.000 0.976 526 I HN 0.174 nan 8.210 nan 0.000 0.407 527 L N 0.167 121.417 121.223 0.045 0.000 2.013 527 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 527 L C 2.347 179.221 176.870 0.006 0.000 1.073 527 L CA 1.668 56.524 54.840 0.026 0.000 0.753 527 L CB -0.837 41.244 42.059 0.036 0.000 0.890 527 L HN 0.419 nan 8.230 nan 0.000 0.432 528 N N -0.146 118.566 118.700 0.020 0.000 2.270 528 N HA -0.101 4.639 4.740 -0.000 0.000 0.181 528 N C 1.893 177.396 175.510 -0.011 0.000 1.016 528 N CA 0.793 53.850 53.050 0.011 0.000 0.870 528 N CB -0.191 38.319 38.487 0.038 0.000 0.979 528 N HN 0.323 nan 8.380 nan 0.000 0.431 529 R N 0.614 121.089 120.500 -0.042 0.000 2.152 529 R HA 0.064 4.404 4.340 -0.000 0.000 0.232 529 R C 1.279 177.551 176.300 -0.046 0.000 1.117 529 R CA 0.647 56.697 56.100 -0.082 0.000 0.981 529 R CB -0.057 30.107 30.300 -0.227 0.000 0.870 529 R HN 0.229 nan 8.270 nan 0.000 0.451 530 L N 0.330 121.533 121.223 -0.032 0.000 2.653 530 L HA 0.128 4.468 4.340 -0.000 0.000 0.231 530 L C 0.406 177.255 176.870 -0.035 0.000 1.153 530 L CA -0.182 54.641 54.840 -0.027 0.000 0.933 530 L CB 0.068 42.122 42.059 -0.007 0.000 1.175 530 L HN -0.003 nan 8.230 nan 0.000 0.473 531 K N 1.290 121.670 120.400 -0.033 0.000 3.077 531 K HA -0.204 4.116 4.320 -0.000 0.000 0.264 531 K C 0.073 176.637 176.600 -0.060 0.000 1.008 531 K CA 0.309 56.573 56.287 -0.038 0.000 0.740 531 K CB -1.435 31.045 32.500 -0.033 0.000 1.273 531 K HN 0.321 nan 8.250 nan 0.000 0.477 532 I N 0.977 121.507 120.570 -0.068 0.000 3.060 532 I HA 0.110 4.280 4.170 -0.000 0.000 0.285 532 I C -1.501 174.524 176.117 -0.153 0.000 1.190 532 I CA -1.878 59.349 61.300 -0.122 0.000 1.363 532 I CB 0.263 38.209 38.000 -0.089 0.000 1.396 532 I HN 0.152 nan 8.210 nan 0.000 0.607 533 P HA 0.184 nan 4.420 nan 0.000 0.286 533 P C 0.031 177.266 177.300 -0.108 0.000 1.269 533 P CA -0.289 62.685 63.100 -0.210 0.000 0.787 533 P CB 1.065 32.555 31.700 -0.349 0.000 0.920 534 S N 2.002 117.667 115.700 -0.058 0.000 2.374 534 S HA -0.258 4.212 4.470 -0.000 0.000 0.227 534 S C 1.787 176.402 174.600 0.024 0.000 1.037 534 S CA 1.545 59.736 58.200 -0.016 0.000 1.024 534 S CB -0.591 62.596 63.200 -0.022 0.000 0.861 534 S HN 0.536 nan 8.310 nan 0.000 0.456 535 Q N 0.927 120.737 119.800 0.016 0.000 2.124 535 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 535 Q C 2.013 178.065 176.000 0.087 0.000 0.977 535 Q CA 1.063 56.910 55.803 0.074 0.000 0.850 535 Q CB -0.562 28.209 28.738 0.056 0.000 0.901 535 Q HN 0.463 nan 8.270 nan 0.000 0.429 536 L N -0.324 120.905 121.223 0.009 0.000 2.093 536 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 536 L C 1.904 178.787 176.870 0.020 0.000 1.085 536 L CA 1.454 56.294 54.840 -0.000 0.000 0.755 536 L CB -0.390 41.617 42.059 -0.086 0.000 0.904 536 L HN 0.335 nan 8.230 nan 0.000 0.435 537 I N -1.566 119.023 120.570 0.031 0.000 2.113 537 I HA -0.332 3.838 4.170 -0.000 0.000 0.238 537 I C 2.329 178.508 176.117 0.103 0.000 1.070 537 I CA 1.740 63.072 61.300 0.054 0.000 1.332 537 I CB -0.569 37.467 38.000 0.060 0.000 1.044 537 I HN 0.257 nan 8.210 nan 0.000 0.402 538 F N 2.310 122.255 119.950 -0.008 0.000 2.046 538 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 538 F C 2.439 178.243 175.800 0.006 0.000 1.123 538 F CA 2.141 60.142 58.000 0.001 0.000 1.199 538 F CB -0.716 38.284 39.000 0.001 0.000 0.972 538 F HN 0.095 nan 8.300 nan 0.000 0.474 539 N N 0.799 119.511 118.700 0.021 0.000 2.036 539 N HA -0.256 4.484 4.740 -0.000 0.000 0.199 539 N C 1.831 177.265 175.510 -0.126 0.000 1.036 539 N CA 2.471 55.474 53.050 -0.077 0.000 0.870 539 N CB -0.905 37.602 38.487 0.033 0.000 1.055 539 N HN 0.417 nan 8.380 nan 0.000 0.436 540 A N -0.183 122.599 122.820 -0.065 0.000 1.929 540 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 540 A C 2.198 179.735 177.584 -0.079 0.000 1.176 540 A CA 1.817 53.818 52.037 -0.060 0.000 0.628 540 A CB -0.849 18.134 19.000 -0.029 0.000 0.816 540 A HN 0.552 nan 8.150 nan 0.000 0.444 541 Q N 0.366 120.115 119.800 -0.084 0.000 1.975 541 Q HA -0.119 4.221 4.340 -0.000 0.000 0.205 541 Q C 2.058 177.985 176.000 -0.121 0.000 0.990 541 Q CA 2.786 58.544 55.803 -0.075 0.000 0.845 541 Q CB -0.771 27.941 28.738 -0.044 0.000 0.913 541 Q HN 0.509 nan 8.270 nan 0.000 0.420 542 A N 0.656 123.319 122.820 -0.262 0.000 1.884 542 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 542 A C 2.108 179.609 177.584 -0.138 0.000 1.197 542 A CA 1.886 53.757 52.037 -0.277 0.000 0.637 542 A CB -1.349 17.339 19.000 -0.520 0.000 0.827 542 A HN 0.575 nan 8.150 nan 0.000 0.450 543 L N -0.070 121.076 121.223 -0.128 0.000 2.064 543 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 543 L C 2.247 179.116 176.870 -0.002 0.000 1.077 543 L CA 2.900 57.705 54.840 -0.059 0.000 0.766 543 L CB -0.708 41.313 42.059 -0.062 0.000 0.890 543 L HN 0.561 nan 8.230 nan 0.000 0.435 544 K N -1.148 119.250 120.400 -0.002 0.000 2.044 544 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 544 K C 1.776 178.449 176.600 0.123 0.000 1.049 544 K CA 1.246 57.577 56.287 0.073 0.000 0.945 544 K CB -0.150 32.378 32.500 0.046 0.000 0.724 544 K HN 0.389 nan 8.250 nan 0.000 0.440 545 D N 0.693 121.123 120.400 0.050 0.000 2.158 545 D HA -0.226 4.414 4.640 -0.000 0.000 0.197 545 D C 1.983 178.314 176.300 0.051 0.000 0.995 545 D CA 1.182 55.208 54.000 0.044 0.000 0.846 545 D CB -0.138 40.667 40.800 0.009 0.000 0.941 545 D HN 0.224 nan 8.370 nan 0.000 0.456 546 R N 0.054 120.581 120.500 0.045 0.000 2.083 546 R HA -0.230 4.110 4.340 -0.000 0.000 0.237 546 R C 2.397 178.756 176.300 0.099 0.000 1.137 546 R CA 1.263 57.393 56.100 0.049 0.000 0.951 546 R CB -0.872 29.447 30.300 0.031 0.000 0.851 546 R HN 0.231 nan 8.270 nan 0.000 0.434 547 Y N 1.535 121.835 120.300 0.002 0.000 2.089 547 Y HA -0.167 4.383 4.550 -0.000 0.000 0.282 547 Y C 1.716 177.646 175.900 0.051 0.000 1.139 547 Y CA 2.264 60.377 58.100 0.020 0.000 1.123 547 Y CB -0.390 38.074 38.460 0.007 0.000 0.980 547 Y HN 0.246 nan 8.280 nan 0.000 0.493 548 E N -0.209 119.979 120.200 -0.021 0.000 2.219 548 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 548 E C 2.353 178.921 176.600 -0.053 0.000 0.998 548 E CA 0.746 57.088 56.400 -0.096 0.000 0.818 548 E CB -0.551 29.172 29.700 0.038 0.000 0.741 548 E HN 0.711 nan 8.360 nan 0.000 0.477 549 G N 2.430 111.215 108.800 -0.025 0.000 2.469 549 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 549 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 549 G C 1.304 176.177 174.900 -0.044 0.000 1.150 549 G CA 1.170 46.259 45.100 -0.019 0.000 0.763 549 G HN 0.273 nan 8.290 nan 0.000 0.561 550 N N -0.918 117.739 118.700 -0.071 0.000 2.236 550 N HA 0.068 4.808 4.740 -0.000 0.000 0.196 550 N C 1.196 176.631 175.510 -0.124 0.000 1.114 550 N CA -0.015 52.985 53.050 -0.083 0.000 0.859 550 N CB -0.096 38.358 38.487 -0.056 0.000 0.982 550 N HN 0.525 nan 8.380 nan 0.000 0.493 551 Y N 0.824 120.987 120.300 -0.230 0.000 2.503 551 Y HA 0.319 4.869 4.550 -0.000 0.000 0.278 551 Y C 0.755 176.577 175.900 -0.130 0.000 1.111 551 Y CA -0.381 57.588 58.100 -0.219 0.000 1.270 551 Y CB 0.254 38.510 38.460 -0.340 0.000 1.063 551 Y HN -0.012 nan 8.280 nan 0.000 0.548 552 L N 0.000 121.153 121.223 -0.117 0.000 2.949 552 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 552 L CA 0.000 54.783 54.840 -0.095 0.000 0.813 552 L CB 0.000 42.067 42.059 0.014 0.000 0.961 552 L HN 0.000 nan 8.230 nan 0.000 0.502