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 3cwg_1_A DATA FIRST_RESID 136 DATA SEQUENCE VVTEKQQMLE QHLQDVRKRV QDLEQKMKVV ENLQDDFDFN YKTLKXXXXX DATA SEQUENCE XXXXXXXXXX XXXXMQQLEQ MLTALDQMRR SIVSELAGLL SAMEYVQKTL DATA SEQUENCE TDEELADWKR RQQIACIGGP PNICLDRLEN WITSLAESQL QTRQQIKKLE DATA SEQUENCE ELQQKVSYKG DPIVQHRPML EERIVELFRN LMKSAFVVER QPCMPMHPDR DATA SEQUENCE PLVIKTGVQF TTKVRLLVKF PELNYQLKIK VCIDKXXXXX XXXRGSRKFN DATA SEQUENCE ILGTNTKVMN MEEXXNGSLS AEFKHLTLRE QRCXXXXXXX XXXXXIVTEE DATA SEQUENCE LHLITFETEV YHQGLKIDLE THSLPVVVIS NICQMPNAWA SILWYNMLTN DATA SEQUENCE NPKNVNFFTK PPIGTWDQVA EVLSWQFSST TKRGLSIEQL TTLAEKLLGP DATA SEQUENCE GVNYSGCQIT WAKFCKENMA GKGFSFWVWL DNIIDLVKKY ILALWNEGYI DATA SEQUENCE MGFISKERER AIXSTKPPGT FLLRFSESSK EGGVTFTWXX XXXXXKTQIQ DATA SEQUENCE SVEPYTKQQL NXXXFAEIIM GYKIMDATNI LVSPLVYLYP DIPKEEAFGK DATA SEQUENCE YCR 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 136 V HA 0.000 nan 4.120 nan 0.000 0.244 136 V C 0.000 176.121 176.094 0.046 0.000 1.182 136 V CA 0.000 62.316 62.300 0.026 0.000 1.235 136 V CB 0.000 31.837 31.823 0.023 0.000 1.184 137 V N 2.549 122.495 119.914 0.052 0.000 2.448 137 V HA 0.655 4.775 4.120 0.000 0.000 0.295 137 V C 0.551 176.679 176.094 0.057 0.000 1.025 137 V CA 0.172 62.519 62.300 0.078 0.000 0.859 137 V CB 1.390 33.265 31.823 0.086 0.000 0.988 137 V HN 1.159 nan 8.190 nan 0.000 0.431 138 T N 0.471 115.062 114.554 0.061 0.000 2.732 138 T HA 0.209 4.559 4.350 0.000 0.000 0.287 138 T C 0.772 175.478 174.700 0.010 0.000 0.993 138 T CA 0.099 62.218 62.100 0.032 0.000 0.966 138 T CB 1.149 70.035 68.868 0.030 0.000 1.047 138 T HN 0.782 nan 8.240 nan 0.000 0.527 139 E N -0.872 119.324 120.200 -0.006 0.000 2.474 139 E HA 0.098 4.448 4.350 0.000 0.000 0.194 139 E C 1.886 178.453 176.600 -0.054 0.000 1.041 139 E CA 0.009 56.394 56.400 -0.025 0.000 0.874 139 E CB 0.045 29.735 29.700 -0.016 0.000 0.914 139 E HN 0.693 nan 8.360 nan 0.000 0.498 140 K N 0.154 120.522 120.400 -0.054 0.000 2.243 140 K HA -0.051 4.269 4.320 0.000 0.000 0.201 140 K C 1.809 178.309 176.600 -0.166 0.000 1.051 140 K CA 0.623 56.858 56.287 -0.086 0.000 0.970 140 K CB 0.272 32.741 32.500 -0.053 0.000 0.755 140 K HN 0.068 nan 8.250 nan 0.000 0.465 141 Q N -0.243 119.477 119.800 -0.133 0.000 2.311 141 Q HA -0.080 4.260 4.340 0.000 0.000 0.203 141 Q C 1.900 177.774 176.000 -0.211 0.000 0.954 141 Q CA 0.716 56.395 55.803 -0.206 0.000 0.885 141 Q CB 0.340 29.097 28.738 0.031 0.000 0.963 141 Q HN 0.258 nan 8.270 nan 0.000 0.471 142 Q N 0.072 119.792 119.800 -0.134 0.000 1.990 142 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 142 Q C 2.056 177.925 176.000 -0.218 0.000 0.980 142 Q CA 1.072 56.806 55.803 -0.116 0.000 0.832 142 Q CB -0.265 28.429 28.738 -0.072 0.000 0.897 142 Q HN 0.394 nan 8.270 nan 0.000 0.427 143 M N 0.244 119.678 119.600 -0.277 0.000 2.195 143 M HA -0.144 4.336 4.480 0.000 0.000 0.260 143 M C 2.193 177.985 176.300 -0.846 0.000 1.066 143 M CA 1.052 56.057 55.300 -0.491 0.000 1.089 143 M CB -1.181 31.170 32.600 -0.416 0.000 1.377 143 M HN 0.144 nan 8.290 nan 0.000 0.411 144 L N 0.380 121.229 121.223 -0.623 0.000 1.993 144 L HA -0.102 4.239 4.340 0.000 0.000 0.206 144 L C 2.375 178.944 176.870 -0.503 0.000 1.074 144 L CA 1.815 56.291 54.840 -0.608 0.000 0.746 144 L CB -0.843 40.761 42.059 -0.758 0.000 0.896 144 L HN 0.211 nan 8.230 nan 0.000 0.435 145 E N -0.820 119.072 120.200 -0.513 0.000 2.396 145 E HA -0.254 4.096 4.350 0.000 0.000 0.200 145 E C 1.833 178.369 176.600 -0.108 0.000 1.023 145 E CA 1.034 57.296 56.400 -0.229 0.000 0.857 145 E CB -0.052 29.674 29.700 0.043 0.000 0.775 145 E HN 0.552 nan 8.360 nan 0.000 0.525 146 Q N -0.456 119.243 119.800 -0.168 0.000 1.911 146 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 146 Q C 1.671 177.671 176.000 0.001 0.000 0.976 146 Q CA 2.116 57.866 55.803 -0.090 0.000 0.845 146 Q CB -0.779 27.872 28.738 -0.146 0.000 0.903 146 Q HN 0.613 nan 8.270 nan 0.000 0.437 147 H N -0.474 118.563 119.070 -0.055 0.000 2.312 147 H HA -0.259 4.297 4.556 0.000 0.000 0.285 147 H C 1.836 177.150 175.328 -0.024 0.000 1.120 147 H CA 1.306 57.334 56.048 -0.034 0.000 1.179 147 H CB -0.188 29.566 29.762 -0.013 0.000 1.349 147 H HN 0.175 nan 8.280 nan 0.000 0.473 148 L N 0.736 122.016 121.223 0.094 0.000 2.079 148 L HA -0.213 4.127 4.340 0.000 0.000 0.210 148 L C 2.386 179.294 176.870 0.062 0.000 1.081 148 L CA 1.693 56.570 54.840 0.062 0.000 0.752 148 L CB -0.460 41.619 42.059 0.034 0.000 0.896 148 L HN 0.342 nan 8.230 nan 0.000 0.433 149 Q N -1.250 118.580 119.800 0.050 0.000 2.331 149 Q HA -0.118 4.223 4.340 0.000 0.000 0.203 149 Q C 1.436 177.458 176.000 0.038 0.000 0.944 149 Q CA 0.806 56.637 55.803 0.045 0.000 0.892 149 Q CB 0.065 28.826 28.738 0.038 0.000 0.983 149 Q HN 0.518 nan 8.270 nan 0.000 0.482 150 D N -0.051 120.374 120.400 0.041 0.000 2.183 150 D HA -0.090 4.550 4.640 0.000 0.000 0.203 150 D C 1.836 178.150 176.300 0.023 0.000 0.969 150 D CA 0.849 54.866 54.000 0.029 0.000 0.842 150 D CB 0.255 41.073 40.800 0.031 0.000 0.957 150 D HN 0.070 nan 8.370 nan 0.000 0.484 151 V N 0.877 120.811 119.914 0.034 0.000 2.446 151 V HA -0.128 3.992 4.120 0.000 0.000 0.244 151 V C 2.473 178.587 176.094 0.033 0.000 1.039 151 V CA 0.937 63.255 62.300 0.031 0.000 1.045 151 V CB -0.325 31.524 31.823 0.043 0.000 0.681 151 V HN 0.012 nan 8.190 nan 0.000 0.459 152 R N 1.031 121.557 120.500 0.042 0.000 2.127 152 R HA -0.220 4.120 4.340 0.000 0.000 0.238 152 R C 2.102 178.419 176.300 0.029 0.000 1.134 152 R CA 1.800 57.925 56.100 0.042 0.000 0.975 152 R CB -0.270 30.059 30.300 0.049 0.000 0.865 152 R HN 0.353 nan 8.270 nan 0.000 0.447 153 K N 0.196 120.611 120.400 0.024 0.000 2.186 153 K HA 0.065 4.385 4.320 0.000 0.000 0.202 153 K C 1.748 178.353 176.600 0.009 0.000 1.052 153 K CA 1.221 57.517 56.287 0.015 0.000 0.965 153 K CB 0.114 32.621 32.500 0.013 0.000 0.746 153 K HN 0.163 nan 8.250 nan 0.000 0.457 154 R N -0.238 120.266 120.500 0.008 0.000 2.189 154 R HA 0.026 4.366 4.340 0.000 0.000 0.218 154 R C 1.489 177.790 176.300 0.002 0.000 1.074 154 R CA 1.025 57.126 56.100 0.001 0.000 0.991 154 R CB 0.008 30.307 30.300 -0.002 0.000 0.883 154 R HN 0.013 nan 8.270 nan 0.000 0.457 155 V N 1.021 120.939 119.914 0.008 0.000 3.573 155 V HA -0.065 4.055 4.120 0.000 0.000 0.270 155 V C 1.870 177.966 176.094 0.003 0.000 1.221 155 V CA 0.991 63.295 62.300 0.006 0.000 1.163 155 V CB -0.122 31.709 31.823 0.013 0.000 0.847 155 V HN 0.231 nan 8.190 nan 0.000 0.468 156 Q N -0.193 119.610 119.800 0.004 0.000 2.226 156 Q HA -0.037 4.303 4.340 0.000 0.000 0.199 156 Q C 1.682 177.681 176.000 -0.001 0.000 0.945 156 Q CA 1.032 56.837 55.803 0.002 0.000 0.861 156 Q CB -0.067 28.674 28.738 0.005 0.000 0.953 156 Q HN 0.567 nan 8.270 nan 0.000 0.490 157 D N 1.208 121.607 120.400 -0.002 0.000 2.091 157 D HA -0.074 4.566 4.640 0.000 0.000 0.199 157 D C 2.102 178.398 176.300 -0.007 0.000 0.980 157 D CA 0.624 54.621 54.000 -0.004 0.000 0.831 157 D CB -0.250 40.547 40.800 -0.005 0.000 0.987 157 D HN 0.064 nan 8.370 nan 0.000 0.460 158 L N 0.559 121.778 121.223 -0.007 0.000 2.083 158 L HA -0.201 4.139 4.340 0.000 0.000 0.209 158 L C 2.353 179.217 176.870 -0.010 0.000 1.083 158 L CA 1.113 55.947 54.840 -0.010 0.000 0.752 158 L CB -0.105 41.948 42.059 -0.010 0.000 0.899 158 L HN -0.038 nan 8.230 nan 0.000 0.433 159 E N -0.579 119.616 120.200 -0.008 0.000 2.086 159 E HA -0.288 4.062 4.350 0.000 0.000 0.200 159 E C 2.211 178.806 176.600 -0.008 0.000 1.012 159 E CA 1.597 57.992 56.400 -0.008 0.000 0.812 159 E CB 0.071 29.767 29.700 -0.006 0.000 0.743 159 E HN 0.322 nan 8.360 nan 0.000 0.453 160 Q N 0.350 120.146 119.800 -0.007 0.000 1.990 160 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 160 Q C 2.208 178.204 176.000 -0.006 0.000 0.980 160 Q CA 1.306 57.106 55.803 -0.006 0.000 0.832 160 Q CB -0.443 28.292 28.738 -0.005 0.000 0.897 160 Q HN 0.240 nan 8.270 nan 0.000 0.427 161 K N -0.132 120.263 120.400 -0.007 0.000 2.052 161 K HA -0.194 4.126 4.320 0.000 0.000 0.215 161 K C 2.091 178.685 176.600 -0.009 0.000 1.053 161 K CA 1.546 57.828 56.287 -0.008 0.000 0.934 161 K CB -0.163 32.331 32.500 -0.011 0.000 0.717 161 K HN 0.164 nan 8.250 nan 0.000 0.450 162 M N 1.153 120.747 119.600 -0.011 0.000 2.082 162 M HA -0.226 4.255 4.480 0.000 0.000 0.258 162 M C 1.894 178.189 176.300 -0.009 0.000 1.069 162 M CA 1.782 57.075 55.300 -0.012 0.000 1.102 162 M CB -0.786 31.805 32.600 -0.014 0.000 1.336 162 M HN 0.119 nan 8.290 nan 0.000 0.404 163 K N -0.652 119.743 120.400 -0.008 0.000 2.026 163 K HA -0.123 4.197 4.320 0.000 0.000 0.208 163 K C 1.957 178.556 176.600 -0.003 0.000 1.048 163 K CA 1.459 57.743 56.287 -0.006 0.000 0.929 163 K CB -0.390 32.106 32.500 -0.006 0.000 0.713 163 K HN 0.168 nan 8.250 nan 0.000 0.439 164 V N 0.967 120.880 119.914 -0.002 0.000 2.287 164 V HA -0.225 3.895 4.120 0.000 0.000 0.248 164 V C 2.180 178.276 176.094 0.004 0.000 1.053 164 V CA 1.714 64.015 62.300 0.001 0.000 1.027 164 V CB -0.450 31.373 31.823 0.000 0.000 0.646 164 V HN 0.206 nan 8.190 nan 0.000 0.447 165 V N -0.146 119.768 119.914 -0.000 0.000 2.490 165 V HA -0.242 3.878 4.120 0.000 0.000 0.250 165 V C 2.455 178.548 176.094 -0.001 0.000 1.061 165 V CA 2.205 64.504 62.300 -0.002 0.000 1.064 165 V CB -0.328 31.490 31.823 -0.008 0.000 0.670 165 V HN 0.667 nan 8.190 nan 0.000 0.461 166 E N 0.046 120.246 120.200 -0.001 0.000 2.077 166 E HA -0.221 4.129 4.350 0.000 0.000 0.193 166 E C 1.973 178.583 176.600 0.016 0.000 0.989 166 E CA 1.733 58.135 56.400 0.003 0.000 0.800 166 E CB -0.239 29.461 29.700 0.000 0.000 0.746 166 E HN 0.764 nan 8.360 nan 0.000 0.452 167 N N 0.517 119.227 118.700 0.016 0.000 2.080 167 N HA -0.137 4.604 4.740 0.000 0.000 0.189 167 N C 1.682 177.218 175.510 0.043 0.000 1.036 167 N CA 0.450 53.514 53.050 0.024 0.000 0.846 167 N CB -0.063 38.431 38.487 0.013 0.000 1.015 167 N HN -0.013 nan 8.380 nan 0.000 0.423 168 L N 1.633 122.880 121.223 0.040 0.000 2.349 168 L HA -0.136 4.204 4.340 0.000 0.000 0.220 168 L C 2.191 179.118 176.870 0.095 0.000 1.130 168 L CA 1.439 56.316 54.840 0.062 0.000 0.791 168 L CB -0.568 41.517 42.059 0.043 0.000 0.918 168 L HN 0.259 nan 8.230 nan 0.000 0.444 169 Q N -1.646 118.194 119.800 0.067 0.000 2.402 169 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 169 Q C 1.093 177.186 176.000 0.155 0.000 0.919 169 Q CA 0.473 56.314 55.803 0.064 0.000 0.923 169 Q CB 0.379 29.104 28.738 -0.022 0.000 1.048 169 Q HN 0.446 nan 8.270 nan 0.000 0.515 170 D N 0.696 121.176 120.400 0.134 0.000 2.240 170 D HA -0.096 4.545 4.640 0.000 0.000 0.206 170 D C 1.011 177.435 176.300 0.206 0.000 0.963 170 D CA 0.601 54.692 54.000 0.152 0.000 0.863 170 D CB 0.176 41.030 40.800 0.090 0.000 0.973 170 D HN 0.292 nan 8.370 nan 0.000 0.501 171 D N 0.615 121.124 120.400 0.180 0.000 2.097 171 D HA -0.145 4.495 4.640 0.000 0.000 0.197 171 D C 1.892 178.364 176.300 0.287 0.000 0.984 171 D CA 0.448 54.559 54.000 0.186 0.000 0.826 171 D CB -0.596 40.280 40.800 0.127 0.000 0.973 171 D HN 0.210 nan 8.370 nan 0.000 0.460 172 F N 1.878 121.904 119.950 0.125 0.000 2.095 172 F HA -0.227 4.300 4.527 0.000 0.000 0.298 172 F C 2.026 177.916 175.800 0.151 0.000 1.104 172 F CA 1.601 59.676 58.000 0.124 0.000 1.232 172 F CB 0.085 39.129 39.000 0.073 0.000 0.987 172 F HN -0.172 nan 8.300 nan 0.000 0.475 173 D N -0.212 120.471 120.400 0.472 0.000 2.117 173 D HA -0.257 4.383 4.640 0.000 0.000 0.197 173 D C 2.188 178.622 176.300 0.224 0.000 0.987 173 D CA 1.480 55.677 54.000 0.329 0.000 0.829 173 D CB -0.431 40.523 40.800 0.258 0.000 0.961 173 D HN 0.390 nan 8.370 nan 0.000 0.460 174 F N 1.847 121.857 119.950 0.100 0.000 2.113 174 F HA -0.154 4.373 4.527 0.000 0.000 0.297 174 F C 1.991 177.806 175.800 0.026 0.000 1.103 174 F CA 1.321 59.356 58.000 0.058 0.000 1.248 174 F CB -0.470 38.557 39.000 0.046 0.000 0.999 174 F HN -0.106 nan 8.300 nan 0.000 0.475 175 N N -0.493 118.312 118.700 0.174 0.000 2.205 175 N HA -0.248 4.492 4.740 0.000 0.000 0.186 175 N C 1.663 177.085 175.510 -0.147 0.000 1.015 175 N CA 1.590 54.645 53.050 0.009 0.000 0.862 175 N CB -0.898 37.611 38.487 0.037 0.000 0.986 175 N HN 0.498 nan 8.380 nan 0.000 0.429 176 Y N 0.818 120.947 120.300 -0.284 0.000 2.475 176 Y HA 0.074 4.625 4.550 0.000 0.000 0.289 176 Y C 2.076 177.856 175.900 -0.200 0.000 1.121 176 Y CA 0.945 58.877 58.100 -0.281 0.000 1.257 176 Y CB 0.219 38.465 38.460 -0.357 0.000 1.026 176 Y HN -0.104 nan 8.280 nan 0.000 0.555 177 K N -1.402 118.964 120.400 -0.056 0.000 2.393 177 K HA 0.011 4.331 4.320 0.000 0.000 0.193 177 K C 1.736 178.167 176.600 -0.281 0.000 1.026 177 K CA 0.880 57.100 56.287 -0.112 0.000 1.064 177 K CB 0.188 32.654 32.500 -0.058 0.000 0.833 177 K HN 0.116 nan 8.250 nan 0.000 0.521 178 T N -0.020 114.286 114.554 -0.412 0.000 3.033 178 T HA 0.059 4.409 4.350 0.000 0.000 0.248 178 T C 1.050 175.588 174.700 -0.271 0.000 1.040 178 T CA 0.291 62.126 62.100 -0.443 0.000 1.133 178 T CB 0.130 68.614 68.868 -0.640 0.000 0.895 178 T HN 0.147 nan 8.240 nan 0.000 0.465 179 L N 1.138 122.198 121.223 -0.272 0.000 2.591 179 L HA 0.438 4.778 4.340 0.000 0.000 0.228 179 L C 0.781 177.489 176.870 -0.271 0.000 1.133 179 L CA 0.587 55.279 54.840 -0.247 0.000 0.880 179 L CB -0.303 41.592 42.059 -0.273 0.000 1.033 179 L HN 0.019 nan 8.230 nan 0.000 0.450 201 Q N 0.834 120.621 119.800 -0.022 0.000 2.165 201 Q HA 0.040 4.380 4.340 0.000 0.000 0.197 201 Q C 0.901 176.908 176.000 0.012 0.000 0.952 201 Q CA 1.207 57.009 55.803 -0.001 0.000 0.848 201 Q CB -0.282 28.457 28.738 0.002 0.000 0.931 201 Q HN 0.723 nan 8.270 nan 0.000 0.470 202 Q N 0.498 120.302 119.800 0.007 0.000 2.185 202 Q HA -0.011 4.329 4.340 0.000 0.000 0.179 202 Q C 0.097 176.105 176.000 0.014 0.000 0.810 202 Q CA -0.021 55.797 55.803 0.025 0.000 1.021 202 Q CB 0.116 28.869 28.738 0.025 0.000 1.244 202 Q HN 0.286 nan 8.270 nan 0.000 0.404 203 L N -1.676 119.559 121.223 0.020 0.000 2.463 203 L HA 0.079 4.419 4.340 0.000 0.000 0.208 203 L C 1.427 178.406 176.870 0.182 0.000 1.082 203 L CA 0.776 55.606 54.840 -0.018 0.000 0.997 203 L CB -0.023 41.956 42.059 -0.133 0.000 1.953 203 L HN 0.223 nan 8.230 nan 0.000 0.499 204 E N -0.229 120.033 120.200 0.104 0.000 2.171 204 E HA -0.252 4.098 4.350 0.000 0.000 0.197 204 E C 1.663 178.313 176.600 0.085 0.000 0.997 204 E CA 1.559 58.014 56.400 0.093 0.000 0.810 204 E CB -0.089 29.640 29.700 0.049 0.000 0.738 204 E HN 0.566 nan 8.360 nan 0.000 0.467 205 Q N 0.120 119.973 119.800 0.088 0.000 2.159 205 Q HA 0.095 4.436 4.340 0.000 0.000 0.194 205 Q C 2.305 178.370 176.000 0.108 0.000 0.968 205 Q CA 0.466 56.312 55.803 0.071 0.000 0.837 205 Q CB -0.050 28.720 28.738 0.054 0.000 0.920 205 Q HN 0.250 nan 8.270 nan 0.000 0.485 206 M N 0.657 120.362 119.600 0.176 0.000 2.252 206 M HA -0.249 4.231 4.480 0.000 0.000 0.255 206 M C 2.124 178.549 176.300 0.209 0.000 1.085 206 M CA 1.269 56.722 55.300 0.256 0.000 1.059 206 M CB -0.245 32.638 32.600 0.472 0.000 1.375 206 M HN 0.205 nan 8.290 nan 0.000 0.409 207 L N -0.555 120.796 121.223 0.213 0.000 2.127 207 L HA -0.053 4.287 4.340 0.000 0.000 0.203 207 L C 2.219 179.027 176.870 -0.103 0.000 1.080 207 L CA 1.642 56.470 54.840 -0.020 0.000 0.768 207 L CB -0.575 41.507 42.059 0.039 0.000 0.924 207 L HN 0.103 nan 8.230 nan 0.000 0.444 208 T N 0.021 114.547 114.554 -0.047 0.000 2.849 208 T HA -0.153 4.197 4.350 0.000 0.000 0.270 208 T C 1.788 176.462 174.700 -0.042 0.000 1.066 208 T CA 1.228 63.290 62.100 -0.063 0.000 1.130 208 T CB -0.386 68.467 68.868 -0.025 0.000 0.864 208 T HN 0.525 nan 8.240 nan 0.000 0.481 209 A N 1.128 123.938 122.820 -0.015 0.000 1.878 209 A HA 0.207 4.527 4.320 0.000 0.000 0.213 209 A C 2.268 179.843 177.584 -0.016 0.000 1.192 209 A CA 0.574 52.609 52.037 -0.003 0.000 0.619 209 A CB -0.643 18.371 19.000 0.022 0.000 0.837 209 A HN 0.410 nan 8.150 nan 0.000 0.446 210 L N -0.101 121.099 121.223 -0.039 0.000 2.079 210 L HA -0.237 4.103 4.340 0.000 0.000 0.210 210 L C 2.350 179.217 176.870 -0.005 0.000 1.081 210 L CA 2.175 56.986 54.840 -0.049 0.000 0.752 210 L CB -0.747 41.227 42.059 -0.142 0.000 0.896 210 L HN 0.564 nan 8.230 nan 0.000 0.433 211 D N -0.421 119.969 120.400 -0.018 0.000 2.144 211 D HA -0.254 4.387 4.640 0.000 0.000 0.199 211 D C 2.166 178.489 176.300 0.038 0.000 0.984 211 D CA 0.959 54.990 54.000 0.050 0.000 0.834 211 D CB 0.172 40.940 40.800 -0.052 0.000 0.955 211 D HN 0.054 nan 8.370 nan 0.000 0.465 212 Q N -0.876 118.927 119.800 0.005 0.000 2.369 212 Q HA 0.014 4.354 4.340 0.000 0.000 0.206 212 Q C 1.676 177.678 176.000 0.003 0.000 0.963 212 Q CA 0.795 56.601 55.803 0.004 0.000 0.894 212 Q CB 0.019 28.756 28.738 -0.002 0.000 0.965 212 Q HN 0.377 nan 8.270 nan 0.000 0.475 213 M N -0.558 119.044 119.600 0.003 0.000 2.073 213 M HA -0.062 4.418 4.480 0.000 0.000 0.259 213 M C 1.913 178.211 176.300 -0.002 0.000 1.079 213 M CA 1.512 56.811 55.300 -0.002 0.000 1.131 213 M CB -0.970 31.628 32.600 -0.004 0.000 1.316 213 M HN 0.166 nan 8.290 nan 0.000 0.415 214 R N 0.248 120.754 120.500 0.010 0.000 2.133 214 R HA -0.202 4.138 4.340 0.000 0.000 0.245 214 R C 2.317 178.615 176.300 -0.002 0.000 1.137 214 R CA 1.786 57.893 56.100 0.011 0.000 0.947 214 R CB -0.689 29.638 30.300 0.045 0.000 0.865 214 R HN 0.464 nan 8.270 nan 0.000 0.437 215 R N 0.004 120.509 120.500 0.008 0.000 2.096 215 R HA -0.140 4.200 4.340 0.000 0.000 0.240 215 R C 2.626 178.901 176.300 -0.043 0.000 1.139 215 R CA 1.810 57.901 56.100 -0.015 0.000 0.952 215 R CB -0.528 29.773 30.300 0.002 0.000 0.854 215 R HN 0.174 nan 8.270 nan 0.000 0.436 216 S N 0.630 116.313 115.700 -0.028 0.000 2.345 216 S HA -0.075 4.395 4.470 0.000 0.000 0.220 216 S C 2.006 176.583 174.600 -0.039 0.000 1.031 216 S CA 0.937 59.118 58.200 -0.032 0.000 0.996 216 S CB -0.138 63.049 63.200 -0.021 0.000 0.882 216 S HN 0.186 nan 8.310 nan 0.000 0.445 217 I N 0.695 121.246 120.570 -0.033 0.000 2.151 217 I HA -0.156 4.014 4.170 0.000 0.000 0.243 217 I C 2.350 178.439 176.117 -0.047 0.000 1.080 217 I CA 1.125 62.406 61.300 -0.033 0.000 1.339 217 I CB -0.365 37.620 38.000 -0.025 0.000 1.039 217 I HN 0.209 nan 8.210 nan 0.000 0.409 218 V N 0.593 120.469 119.914 -0.064 0.000 2.343 218 V HA -0.258 3.862 4.120 0.000 0.000 0.247 218 V C 2.558 178.572 176.094 -0.133 0.000 1.051 218 V CA 2.393 64.634 62.300 -0.100 0.000 1.036 218 V CB -0.256 31.483 31.823 -0.139 0.000 0.654 218 V HN 0.645 nan 8.190 nan 0.000 0.451 219 S N -1.460 114.161 115.700 -0.132 0.000 2.489 219 S HA -0.147 4.323 4.470 0.000 0.000 0.228 219 S C 1.824 176.381 174.600 -0.072 0.000 0.995 219 S CA 1.302 59.432 58.200 -0.117 0.000 0.934 219 S CB -0.254 62.886 63.200 -0.100 0.000 0.771 219 S HN 0.755 nan 8.310 nan 0.000 0.522 220 E N 1.094 121.260 120.200 -0.058 0.000 2.072 220 E HA 0.018 4.368 4.350 0.000 0.000 0.190 220 E C 1.896 178.475 176.600 -0.035 0.000 0.982 220 E CA 0.758 57.133 56.400 -0.041 0.000 0.803 220 E CB -0.150 29.530 29.700 -0.033 0.000 0.755 220 E HN 0.539 nan 8.360 nan 0.000 0.453 221 L N 0.372 121.573 121.223 -0.037 0.000 2.027 221 L HA -0.124 4.216 4.340 0.000 0.000 0.206 221 L C 2.629 179.485 176.870 -0.023 0.000 1.074 221 L CA 1.036 55.860 54.840 -0.026 0.000 0.745 221 L CB -0.438 41.606 42.059 -0.024 0.000 0.898 221 L HN 0.177 nan 8.230 nan 0.000 0.433 222 A N 0.400 123.198 122.820 -0.037 0.000 1.884 222 A HA -0.233 4.087 4.320 0.000 0.000 0.219 222 A C 2.383 179.955 177.584 -0.021 0.000 1.197 222 A CA 2.164 54.184 52.037 -0.028 0.000 0.637 222 A CB -1.531 17.440 19.000 -0.049 0.000 0.827 222 A HN 0.465 nan 8.150 nan 0.000 0.450 223 G N -0.544 108.239 108.800 -0.030 0.000 2.422 223 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 223 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 223 G C 1.489 176.375 174.900 -0.024 0.000 1.146 223 G CA 1.226 46.308 45.100 -0.029 0.000 0.769 223 G HN 0.588 nan 8.290 nan 0.000 0.547 224 L N -0.118 121.094 121.223 -0.018 0.000 2.083 224 L HA 0.118 4.458 4.340 0.000 0.000 0.209 224 L C 2.530 179.402 176.870 0.002 0.000 1.083 224 L CA 1.402 56.236 54.840 -0.010 0.000 0.752 224 L CB -0.373 41.682 42.059 -0.006 0.000 0.899 224 L HN 0.151 nan 8.230 nan 0.000 0.433 225 L N -0.953 120.274 121.223 0.006 0.000 2.072 225 L HA -0.119 4.221 4.340 0.000 0.000 0.205 225 L C 2.534 179.418 176.870 0.023 0.000 1.079 225 L CA 1.650 56.502 54.840 0.020 0.000 0.752 225 L CB -0.737 41.335 42.059 0.021 0.000 0.906 225 L HN 0.189 nan 8.230 nan 0.000 0.436 226 S N -0.448 115.260 115.700 0.013 0.000 2.420 226 S HA -0.234 4.236 4.470 0.000 0.000 0.237 226 S C 2.101 176.716 174.600 0.024 0.000 1.023 226 S CA 1.158 59.369 58.200 0.017 0.000 0.991 226 S CB -0.427 62.773 63.200 -0.000 0.000 0.792 226 S HN 0.525 nan 8.310 nan 0.000 0.488 227 A N 1.346 124.168 122.820 0.003 0.000 1.929 227 A HA 0.076 4.396 4.320 0.000 0.000 0.216 227 A C 2.097 179.705 177.584 0.041 0.000 1.176 227 A CA 1.048 53.078 52.037 -0.011 0.000 0.628 227 A CB -0.470 18.507 19.000 -0.039 0.000 0.816 227 A HN 0.487 nan 8.150 nan 0.000 0.444 228 M N -1.103 118.524 119.600 0.045 0.000 2.254 228 M HA -0.100 4.381 4.480 0.000 0.000 0.265 228 M C 1.946 178.285 176.300 0.066 0.000 1.066 228 M CA 1.426 56.762 55.300 0.059 0.000 1.123 228 M CB -0.410 32.226 32.600 0.060 0.000 1.388 228 M HN 0.412 nan 8.290 nan 0.000 0.425 229 E N 0.065 120.304 120.200 0.065 0.000 2.085 229 E HA -0.227 4.123 4.350 0.000 0.000 0.194 229 E C 1.739 178.370 176.600 0.052 0.000 0.994 229 E CA 1.638 58.070 56.400 0.053 0.000 0.801 229 E CB -0.198 29.534 29.700 0.053 0.000 0.743 229 E HN 0.459 nan 8.360 nan 0.000 0.453 230 Y N 0.510 120.781 120.300 -0.048 0.000 2.070 230 Y HA -0.286 4.264 4.550 0.000 0.000 0.279 230 Y C 2.139 177.997 175.900 -0.069 0.000 1.134 230 Y CA 1.742 59.797 58.100 -0.075 0.000 1.113 230 Y CB -0.450 37.930 38.460 -0.133 0.000 0.981 230 Y HN -0.139 nan 8.280 nan 0.000 0.487 231 V N 0.852 120.842 119.914 0.126 0.000 2.392 231 V HA -0.364 3.756 4.120 0.000 0.000 0.249 231 V C 2.326 178.420 176.094 -0.001 0.000 1.059 231 V CA 2.271 64.619 62.300 0.079 0.000 1.051 231 V CB -0.991 30.904 31.823 0.121 0.000 0.658 231 V HN 0.521 nan 8.190 nan 0.000 0.455 232 Q N 0.167 119.967 119.800 -0.000 0.000 2.084 232 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 232 Q C 2.348 178.320 176.000 -0.046 0.000 0.978 232 Q CA 1.667 57.465 55.803 -0.007 0.000 0.844 232 Q CB -0.046 28.697 28.738 0.008 0.000 0.898 232 Q HN 0.617 nan 8.270 nan 0.000 0.426 233 K N -0.734 119.609 120.400 -0.094 0.000 2.147 233 K HA -0.080 4.240 4.320 0.000 0.000 0.205 233 K C 1.949 178.463 176.600 -0.142 0.000 1.049 233 K CA 1.573 57.784 56.287 -0.126 0.000 0.936 233 K CB 0.032 32.423 32.500 -0.181 0.000 0.722 233 K HN 0.203 nan 8.250 nan 0.000 0.446 234 T N 1.726 116.173 114.554 -0.178 0.000 3.023 234 T HA -0.003 4.347 4.350 0.000 0.000 0.266 234 T C 1.704 176.359 174.700 -0.074 0.000 1.093 234 T CA 0.500 62.519 62.100 -0.136 0.000 1.129 234 T CB 0.108 68.915 68.868 -0.102 0.000 0.899 234 T HN 0.123 nan 8.240 nan 0.000 0.491 235 L N 0.998 122.189 121.223 -0.052 0.000 2.062 235 L HA -0.062 4.278 4.340 0.000 0.000 0.202 235 L C 3.074 179.952 176.870 0.014 0.000 1.079 235 L CA 1.768 56.602 54.840 -0.010 0.000 0.755 235 L CB -0.762 41.306 42.059 0.017 0.000 0.913 235 L HN 0.399 nan 8.230 nan 0.000 0.445 236 T N -3.033 111.520 114.554 -0.002 0.000 2.588 236 T HA -0.208 4.142 4.350 0.000 0.000 0.261 236 T C 1.447 176.150 174.700 0.004 0.000 1.069 236 T CA 1.459 63.560 62.100 0.001 0.000 1.172 236 T CB -0.657 68.203 68.868 -0.014 0.000 0.863 236 T HN 0.264 nan 8.240 nan 0.000 0.408 237 D N 1.188 121.577 120.400 -0.018 0.000 2.350 237 D HA 0.015 4.655 4.640 0.000 0.000 0.216 237 D C 1.910 178.201 176.300 -0.015 0.000 0.968 237 D CA 0.881 54.869 54.000 -0.019 0.000 0.894 237 D CB 0.128 40.904 40.800 -0.040 0.000 0.909 237 D HN 0.716 nan 8.370 nan 0.000 0.520 238 E N -0.014 120.177 120.200 -0.014 0.000 2.538 238 E HA 0.033 4.383 4.350 0.000 0.000 0.188 238 E C 1.386 178.003 176.600 0.028 0.000 1.014 238 E CA -0.192 56.203 56.400 -0.007 0.000 1.140 238 E CB 0.329 30.009 29.700 -0.034 0.000 1.262 238 E HN -0.079 nan 8.360 nan 0.000 0.488 239 E N 0.882 121.105 120.200 0.039 0.000 2.511 239 E HA -0.045 4.305 4.350 0.000 0.000 0.196 239 E C 1.568 178.263 176.600 0.159 0.000 1.066 239 E CA 0.295 56.757 56.400 0.103 0.000 0.871 239 E CB 0.475 30.242 29.700 0.112 0.000 0.863 239 E HN 0.112 nan 8.360 nan 0.000 0.520 240 L N -0.191 121.108 121.223 0.127 0.000 2.349 240 L HA 0.268 4.609 4.340 0.000 0.000 0.200 240 L C 2.052 179.045 176.870 0.205 0.000 1.064 240 L CA 1.245 56.188 54.840 0.171 0.000 0.821 240 L CB -0.611 41.505 42.059 0.096 0.000 1.027 240 L HN -0.043 nan 8.230 nan 0.000 0.476 241 A N -0.244 122.640 122.820 0.107 0.000 1.917 241 A HA -0.282 4.038 4.320 0.000 0.000 0.219 241 A C 1.933 179.550 177.584 0.054 0.000 1.182 241 A CA 2.226 54.300 52.037 0.062 0.000 0.633 241 A CB -1.044 17.970 19.000 0.023 0.000 0.819 241 A HN 0.529 nan 8.150 nan 0.000 0.448 242 D N -1.718 118.728 120.400 0.076 0.000 2.133 242 D HA -0.202 4.438 4.640 0.000 0.000 0.195 242 D C 1.496 177.840 176.300 0.074 0.000 0.997 242 D CA 1.663 55.700 54.000 0.063 0.000 0.840 242 D CB -0.301 40.553 40.800 0.089 0.000 0.947 242 D HN 0.772 nan 8.370 nan 0.000 0.452 243 W N 1.580 122.864 121.300 -0.027 0.000 2.407 243 W HA -0.050 4.610 4.660 0.000 0.000 0.305 243 W C 1.949 178.428 176.519 -0.066 0.000 1.196 243 W CA 1.117 58.436 57.345 -0.044 0.000 1.311 243 W CB -0.114 29.321 29.460 -0.041 0.000 1.135 243 W HN -0.189 nan 8.180 nan 0.000 0.514 244 K N -0.004 120.261 120.400 -0.224 0.000 2.103 244 K HA -0.258 4.062 4.320 0.000 0.000 0.207 244 K C 2.118 178.432 176.600 -0.476 0.000 1.048 244 K CA 1.830 57.794 56.287 -0.539 0.000 0.930 244 K CB -0.322 32.102 32.500 -0.128 0.000 0.716 244 K HN -0.037 nan 8.250 nan 0.000 0.444 245 R N 1.620 121.952 120.500 -0.279 0.000 2.115 245 R HA -0.053 4.287 4.340 0.000 0.000 0.226 245 R C 1.923 178.065 176.300 -0.264 0.000 1.100 245 R CA 1.374 57.341 56.100 -0.221 0.000 0.980 245 R CB -0.194 30.029 30.300 -0.129 0.000 0.875 245 R HN 0.045 nan 8.270 nan 0.000 0.445 246 R N -0.154 120.162 120.500 -0.307 0.000 2.235 246 R HA -0.028 4.312 4.340 0.000 0.000 0.213 246 R C 2.025 178.082 176.300 -0.404 0.000 1.059 246 R CA 1.226 57.150 56.100 -0.294 0.000 0.997 246 R CB -0.074 30.102 30.300 -0.206 0.000 0.884 246 R HN 0.439 nan 8.270 nan 0.000 0.462 247 Q N 0.198 119.633 119.800 -0.608 0.000 2.036 247 Q HA -0.181 4.159 4.340 0.000 0.000 0.195 247 Q C 1.913 177.681 176.000 -0.387 0.000 0.971 247 Q CA 1.169 56.609 55.803 -0.605 0.000 0.826 247 Q CB -0.043 28.127 28.738 -0.948 0.000 0.896 247 Q HN 0.421 nan 8.270 nan 0.000 0.449 248 Q N 0.311 119.895 119.800 -0.361 0.000 2.065 248 Q HA -0.244 4.096 4.340 0.000 0.000 0.213 248 Q C 2.093 177.963 176.000 -0.217 0.000 1.012 248 Q CA 2.451 58.103 55.803 -0.251 0.000 0.876 248 Q CB -0.292 28.321 28.738 -0.208 0.000 0.954 248 Q HN 0.522 nan 8.270 nan 0.000 0.413 249 I N -0.152 120.282 120.570 -0.228 0.000 2.361 249 I HA -0.237 3.933 4.170 0.000 0.000 0.251 249 I C 2.071 177.981 176.117 -0.344 0.000 1.133 249 I CA 0.895 62.048 61.300 -0.245 0.000 1.413 249 I CB -0.252 37.603 38.000 -0.242 0.000 1.073 249 I HN 0.221 nan 8.210 nan 0.000 0.424 250 A N -0.852 121.784 122.820 -0.307 0.000 2.208 250 A HA -0.072 4.248 4.320 0.000 0.000 0.209 250 A C 2.272 179.749 177.584 -0.179 0.000 1.161 250 A CA 0.509 52.377 52.037 -0.282 0.000 0.782 250 A CB -0.738 18.121 19.000 -0.236 0.000 0.816 250 A HN 0.490 nan 8.150 nan 0.000 0.477 251 C N -0.362 118.851 119.300 -0.146 0.000 2.500 251 C HA 0.031 4.491 4.460 0.000 0.000 0.279 251 C C 1.850 176.887 174.990 0.078 0.000 1.288 251 C CA 0.811 59.803 59.018 -0.042 0.000 1.710 251 C CB -0.968 26.727 27.740 -0.076 0.000 2.052 251 C HN 0.751 nan 8.230 nan 0.000 0.488 252 I N -0.240 120.330 120.570 0.000 0.000 3.731 252 I HA 0.395 4.565 4.170 0.000 0.000 0.316 252 I C 1.172 177.382 176.117 0.154 0.000 1.395 252 I CA 0.604 61.951 61.300 0.078 0.000 1.294 252 I CB -1.155 36.795 38.000 -0.083 0.000 1.238 252 I HN 0.365 nan 8.210 nan 0.000 0.437 253 G N 1.146 109.985 108.800 0.064 0.000 2.168 253 G HA2 -0.240 3.720 3.960 0.000 0.000 0.257 253 G HA3 -0.240 3.720 3.960 0.000 0.000 0.257 253 G C 0.562 175.204 174.900 -0.430 0.000 0.997 253 G CA 0.016 45.105 45.100 -0.018 0.000 0.708 253 G HN 0.906 nan 8.290 nan 0.000 0.520 254 G N -0.018 108.261 108.800 -0.869 0.000 2.616 254 G HA2 0.619 4.579 3.960 0.000 0.000 0.268 254 G HA3 0.619 4.579 3.960 0.000 0.000 0.268 254 G C -1.535 172.768 174.900 -0.996 0.000 1.213 254 G CA -0.555 43.420 45.100 -1.875 0.000 0.926 254 G HN 0.239 nan 8.290 nan 0.000 0.523 255 P HA 0.060 nan 4.420 nan 0.000 0.254 255 P C -1.767 175.366 177.300 -0.278 0.000 1.186 255 P CA -0.665 62.217 63.100 -0.363 0.000 0.868 255 P CB 0.315 31.897 31.700 -0.197 0.000 0.856 256 P HA -0.166 nan 4.420 nan 0.000 0.316 256 P C 0.143 177.382 177.300 -0.101 0.000 1.413 256 P CA 0.259 63.265 63.100 -0.157 0.000 0.828 256 P CB 0.087 31.718 31.700 -0.115 0.000 1.787 257 N N -0.825 117.842 118.700 -0.056 0.000 2.413 257 N HA -0.155 4.585 4.740 0.000 0.000 0.282 257 N C -0.633 174.894 175.510 0.028 0.000 1.368 257 N CA 0.683 53.725 53.050 -0.013 0.000 0.627 257 N CB -1.270 37.209 38.487 -0.014 0.000 0.899 257 N HN 0.414 nan 8.380 nan 0.000 0.517 258 I N 0.355 120.981 120.570 0.094 0.000 2.944 258 I HA 0.286 4.456 4.170 0.000 0.000 0.330 258 I C 0.445 176.784 176.117 0.371 0.000 1.482 258 I CA -0.912 60.570 61.300 0.304 0.000 0.880 258 I CB 0.163 38.237 38.000 0.123 0.000 1.728 258 I HN 0.392 nan 8.210 nan 0.000 0.561 259 C N 2.934 122.308 119.300 0.123 0.000 2.610 259 C HA 0.236 4.697 4.460 0.000 0.000 0.382 259 C C 1.828 176.731 174.990 -0.145 0.000 1.287 259 C CA -0.375 58.638 59.018 -0.008 0.000 1.640 259 C CB -0.581 27.131 27.740 -0.045 0.000 2.335 259 C HN 0.665 nan 8.230 nan 0.000 0.577 260 L N 5.141 126.218 121.223 -0.243 0.000 2.642 260 L HA -0.016 4.325 4.340 0.000 0.000 0.236 260 L C 1.962 178.612 176.870 -0.368 0.000 1.169 260 L CA 1.307 55.880 54.840 -0.446 0.000 0.851 260 L CB -1.164 40.609 42.059 -0.477 0.000 0.968 260 L HN 0.759 nan 8.230 nan 0.000 0.453 261 D N 0.427 120.652 120.400 -0.290 0.000 2.077 261 D HA -0.179 4.461 4.640 0.000 0.000 0.193 261 D C 2.147 178.187 176.300 -0.434 0.000 0.989 261 D CA 1.112 54.935 54.000 -0.294 0.000 0.831 261 D CB -0.020 40.647 40.800 -0.223 0.000 0.979 261 D HN 0.330 nan 8.370 nan 0.000 0.449 262 R N 0.483 120.659 120.500 -0.540 0.000 2.113 262 R HA -0.119 4.221 4.340 0.000 0.000 0.244 262 R C 2.641 178.159 176.300 -1.304 0.000 1.142 262 R CA 0.822 56.317 56.100 -1.008 0.000 0.953 262 R CB -0.684 29.026 30.300 -0.984 0.000 0.860 262 R HN 0.248 nan 8.270 nan 0.000 0.438 263 L N 0.545 121.334 121.223 -0.724 0.000 2.201 263 L HA -0.137 4.204 4.340 0.000 0.000 0.212 263 L C 2.589 179.302 176.870 -0.261 0.000 1.105 263 L CA 1.126 55.762 54.840 -0.339 0.000 0.775 263 L CB -0.294 41.598 42.059 -0.278 0.000 0.913 263 L HN 0.312 nan 8.230 nan 0.000 0.440 264 E N 0.110 120.111 120.200 -0.331 0.000 2.107 264 E HA -0.180 4.171 4.350 0.000 0.000 0.191 264 E C 1.811 178.309 176.600 -0.169 0.000 0.982 264 E CA 0.953 57.213 56.400 -0.233 0.000 0.809 264 E CB 0.246 29.808 29.700 -0.230 0.000 0.756 264 E HN 0.475 nan 8.360 nan 0.000 0.459 265 N N 0.101 118.654 118.700 -0.245 0.000 2.216 265 N HA -0.131 4.609 4.740 0.000 0.000 0.183 265 N C 1.432 176.963 175.510 0.035 0.000 1.017 265 N CA 0.879 53.845 53.050 -0.140 0.000 0.861 265 N CB -0.352 38.002 38.487 -0.222 0.000 0.986 265 N HN 0.344 nan 8.380 nan 0.000 0.428 266 W N 1.841 123.117 121.300 -0.039 0.000 2.381 266 W HA 0.122 4.782 4.660 0.000 0.000 0.301 266 W C 2.103 178.609 176.519 -0.021 0.000 1.205 266 W CA 0.058 57.389 57.345 -0.022 0.000 1.285 266 W CB -0.763 28.679 29.460 -0.030 0.000 1.133 266 W HN -0.013 nan 8.180 nan 0.000 0.521 267 I N -0.071 120.607 120.570 0.180 0.000 2.286 267 I HA -0.201 3.969 4.170 0.000 0.000 0.245 267 I C 2.066 178.203 176.117 0.033 0.000 1.104 267 I CA 1.519 62.857 61.300 0.063 0.000 1.397 267 I CB -1.718 36.262 38.000 -0.033 0.000 1.072 267 I HN -0.081 nan 8.210 nan 0.000 0.417 268 T N 0.463 115.026 114.554 0.015 0.000 2.708 268 T HA -0.179 4.171 4.350 0.000 0.000 0.266 268 T C 2.169 176.959 174.700 0.151 0.000 1.037 268 T CA 2.040 64.165 62.100 0.043 0.000 1.146 268 T CB -0.226 68.664 68.868 0.036 0.000 0.865 268 T HN 0.336 nan 8.240 nan 0.000 0.435 269 S N 0.894 116.681 115.700 0.144 0.000 2.356 269 S HA -0.105 4.365 4.470 0.000 0.000 0.223 269 S C 2.052 176.748 174.600 0.159 0.000 1.032 269 S CA 1.153 59.447 58.200 0.157 0.000 1.005 269 S CB -0.515 62.786 63.200 0.168 0.000 0.867 269 S HN 0.315 nan 8.310 nan 0.000 0.449 270 L N 1.949 123.264 121.223 0.153 0.000 2.046 270 L HA 0.147 4.487 4.340 0.000 0.000 0.208 270 L C 2.506 179.486 176.870 0.183 0.000 1.077 270 L CA 2.228 57.153 54.840 0.142 0.000 0.747 270 L CB -1.343 40.786 42.059 0.117 0.000 0.896 270 L HN 0.351 nan 8.230 nan 0.000 0.432 271 A N -1.046 121.905 122.820 0.219 0.000 2.015 271 A HA -0.167 4.153 4.320 0.000 0.000 0.219 271 A C 2.127 179.987 177.584 0.460 0.000 1.163 271 A CA 1.504 53.770 52.037 0.382 0.000 0.646 271 A CB -0.537 18.637 19.000 0.290 0.000 0.806 271 A HN 0.631 nan 8.150 nan 0.000 0.448 272 E N -0.236 120.188 120.200 0.373 0.000 2.072 272 E HA -0.100 4.250 4.350 0.000 0.000 0.191 272 E C 2.247 178.928 176.600 0.134 0.000 0.985 272 E CA 1.194 57.749 56.400 0.258 0.000 0.801 272 E CB -0.124 29.693 29.700 0.195 0.000 0.750 272 E HN 0.570 nan 8.360 nan 0.000 0.452 273 S N 1.136 116.915 115.700 0.131 0.000 2.344 273 S HA -0.198 4.272 4.470 0.000 0.000 0.217 273 S C 1.952 176.593 174.600 0.069 0.000 1.033 273 S CA 1.088 59.339 58.200 0.084 0.000 1.017 273 S CB -0.297 62.954 63.200 0.085 0.000 0.941 273 S HN 0.268 nan 8.310 nan 0.000 0.430 274 Q N 0.122 119.984 119.800 0.104 0.000 2.242 274 Q HA -0.179 4.161 4.340 0.000 0.000 0.211 274 Q C 1.930 177.922 176.000 -0.014 0.000 0.992 274 Q CA 1.147 56.998 55.803 0.081 0.000 0.889 274 Q CB -0.349 28.499 28.738 0.182 0.000 0.913 274 Q HN 0.290 nan 8.270 nan 0.000 0.422 275 L N 0.398 121.599 121.223 -0.036 0.000 2.395 275 L HA -0.105 4.235 4.340 0.000 0.000 0.218 275 L C 1.903 178.718 176.870 -0.091 0.000 1.130 275 L CA 1.511 56.264 54.840 -0.145 0.000 0.826 275 L CB -0.060 41.913 42.059 -0.143 0.000 0.941 275 L HN 0.162 nan 8.230 nan 0.000 0.451 276 Q N -2.095 117.680 119.800 -0.043 0.000 2.204 276 Q HA -0.053 4.287 4.340 0.000 0.000 0.198 276 Q C 1.863 177.844 176.000 -0.032 0.000 0.946 276 Q CA 1.440 57.221 55.803 -0.038 0.000 0.859 276 Q CB -0.021 28.706 28.738 -0.018 0.000 0.946 276 Q HN 0.349 nan 8.270 nan 0.000 0.474 277 T N 0.891 115.433 114.554 -0.020 0.000 2.881 277 T HA -0.124 4.226 4.350 0.000 0.000 0.270 277 T C 1.627 176.312 174.700 -0.025 0.000 1.068 277 T CA 0.907 62.999 62.100 -0.014 0.000 1.131 277 T CB -0.046 68.824 68.868 0.003 0.000 0.871 277 T HN 0.192 nan 8.240 nan 0.000 0.479 278 R N 0.514 120.986 120.500 -0.047 0.000 2.119 278 R HA 0.021 4.361 4.340 0.000 0.000 0.222 278 R C 1.897 178.166 176.300 -0.052 0.000 1.088 278 R CA 0.875 56.942 56.100 -0.055 0.000 0.984 278 R CB 0.022 30.263 30.300 -0.098 0.000 0.884 278 R HN 0.185 nan 8.270 nan 0.000 0.447 279 Q N -0.133 119.633 119.800 -0.057 0.000 2.472 279 Q HA -0.011 4.329 4.340 0.000 0.000 0.208 279 Q C 1.507 177.485 176.000 -0.037 0.000 0.958 279 Q CA 0.786 56.559 55.803 -0.051 0.000 0.932 279 Q CB 0.385 29.088 28.738 -0.058 0.000 1.007 279 Q HN 0.281 nan 8.270 nan 0.000 0.508 280 Q N -0.601 119.180 119.800 -0.031 0.000 2.107 280 Q HA 0.072 4.412 4.340 0.000 0.000 0.195 280 Q C 1.812 177.798 176.000 -0.023 0.000 0.964 280 Q CA 0.589 56.377 55.803 -0.024 0.000 0.833 280 Q CB 0.032 28.758 28.738 -0.020 0.000 0.910 280 Q HN 0.348 nan 8.270 nan 0.000 0.465 281 I N 1.410 121.968 120.570 -0.021 0.000 2.423 281 I HA -0.237 3.933 4.170 0.000 0.000 0.254 281 I C 1.913 178.019 176.117 -0.020 0.000 1.151 281 I CA 1.325 62.615 61.300 -0.016 0.000 1.421 281 I CB -0.603 37.390 38.000 -0.010 0.000 1.079 281 I HN 0.210 nan 8.210 nan 0.000 0.431 282 K N 0.629 121.013 120.400 -0.025 0.000 2.167 282 K HA -0.136 4.184 4.320 0.000 0.000 0.203 282 K C 2.014 178.598 176.600 -0.027 0.000 1.052 282 K CA 0.575 56.846 56.287 -0.027 0.000 0.956 282 K CB 0.027 32.507 32.500 -0.034 0.000 0.735 282 K HN -0.052 nan 8.250 nan 0.000 0.451 283 K N 1.395 121.779 120.400 -0.027 0.000 2.365 283 K HA 0.018 4.338 4.320 0.000 0.000 0.199 283 K C 1.640 178.225 176.600 -0.026 0.000 1.045 283 K CA 0.712 56.984 56.287 -0.025 0.000 0.962 283 K CB -0.007 32.479 32.500 -0.024 0.000 0.759 283 K HN 0.058 nan 8.250 nan 0.000 0.469 284 L N -0.148 121.060 121.223 -0.026 0.000 2.068 284 L HA -0.023 4.317 4.340 0.000 0.000 0.204 284 L C 2.131 178.979 176.870 -0.036 0.000 1.076 284 L CA 1.078 55.900 54.840 -0.029 0.000 0.753 284 L CB -0.282 41.764 42.059 -0.023 0.000 0.910 284 L HN 0.294 nan 8.230 nan 0.000 0.439 285 E N 0.118 120.299 120.200 -0.032 0.000 2.515 285 E HA -0.162 4.188 4.350 0.000 0.000 0.201 285 E C 1.418 177.996 176.600 -0.037 0.000 1.071 285 E CA 0.293 56.671 56.400 -0.037 0.000 0.880 285 E CB 0.329 30.011 29.700 -0.029 0.000 0.828 285 E HN 0.434 nan 8.360 nan 0.000 0.540 286 E N -0.227 119.952 120.200 -0.034 0.000 2.190 286 E HA -0.085 4.265 4.350 0.000 0.000 0.191 286 E C 1.703 178.281 176.600 -0.035 0.000 0.978 286 E CA 0.415 56.797 56.400 -0.030 0.000 0.839 286 E CB 0.223 29.908 29.700 -0.025 0.000 0.787 286 E HN 0.259 nan 8.360 nan 0.000 0.473 287 L N 0.655 121.851 121.223 -0.045 0.000 2.307 287 L HA 0.046 4.386 4.340 0.000 0.000 0.211 287 L C 2.295 179.114 176.870 -0.085 0.000 1.099 287 L CA 0.918 55.723 54.840 -0.059 0.000 0.816 287 L CB -0.724 41.300 42.059 -0.059 0.000 0.952 287 L HN 0.050 nan 8.230 nan 0.000 0.455 288 Q N -0.206 119.542 119.800 -0.086 0.000 2.515 288 Q HA -0.197 4.143 4.340 0.000 0.000 0.215 288 Q C 1.439 177.384 176.000 -0.092 0.000 0.983 288 Q CA 1.188 56.926 55.803 -0.108 0.000 0.905 288 Q CB 0.218 28.907 28.738 -0.082 0.000 0.961 288 Q HN 0.611 nan 8.270 nan 0.000 0.503 289 Q N -1.872 117.887 119.800 -0.068 0.000 2.288 289 Q HA 0.075 4.415 4.340 0.000 0.000 0.256 289 Q C 1.113 177.090 176.000 -0.039 0.000 0.835 289 Q CA 0.074 55.847 55.803 -0.049 0.000 0.958 289 Q CB 0.678 29.395 28.738 -0.034 0.000 1.125 289 Q HN 0.132 nan 8.270 nan 0.000 0.513 290 K N 0.068 120.443 120.400 -0.041 0.000 2.308 290 K HA 0.173 4.493 4.320 0.000 0.000 0.197 290 K C -0.040 176.540 176.600 -0.033 0.000 1.049 290 K CA 0.484 56.757 56.287 -0.023 0.000 0.991 290 K CB 1.405 33.898 32.500 -0.011 0.000 0.836 290 K HN -0.173 nan 8.250 nan 0.000 0.500 291 V N 0.630 120.504 119.914 -0.068 0.000 2.610 291 V HA 0.256 4.376 4.120 0.000 0.000 0.298 291 V C -1.103 174.917 176.094 -0.124 0.000 1.067 291 V CA -0.769 61.478 62.300 -0.088 0.000 0.894 291 V CB 1.669 33.397 31.823 -0.158 0.000 1.015 291 V HN 0.058 nan 8.190 nan 0.000 0.432 292 S N 3.848 119.484 115.700 -0.107 0.000 2.697 292 S HA 1.025 5.495 4.470 0.000 0.000 0.289 292 S C -1.728 172.817 174.600 -0.092 0.000 1.149 292 S CA -0.417 57.628 58.200 -0.258 0.000 0.850 292 S CB 2.131 65.211 63.200 -0.200 0.000 1.151 292 S HN 1.161 nan 8.310 nan 0.000 0.491 293 Y N -0.837 119.436 120.300 -0.045 0.000 2.774 293 Y HA 0.492 5.042 4.550 0.000 0.000 0.346 293 Y C -1.111 174.777 175.900 -0.020 0.000 1.222 293 Y CA -1.203 56.879 58.100 -0.029 0.000 1.088 293 Y CB 0.355 38.795 38.460 -0.033 0.000 1.354 293 Y HN 0.609 nan 8.280 nan 0.000 0.455 294 K N 0.983 121.533 120.400 0.251 0.000 2.383 294 K HA 0.443 4.763 4.320 0.000 0.000 0.286 294 K C 0.746 177.493 176.600 0.245 0.000 1.051 294 K CA 1.068 57.448 56.287 0.155 0.000 0.974 294 K CB -0.059 32.499 32.500 0.097 0.000 0.968 294 K HN 1.377 nan 8.250 nan 0.000 0.475 295 G N 3.281 112.175 108.800 0.156 0.000 2.148 295 G HA2 -0.202 3.758 3.960 0.000 0.000 0.203 295 G HA3 -0.202 3.758 3.960 0.000 0.000 0.203 295 G C -0.287 174.739 174.900 0.210 0.000 0.993 295 G CA -0.164 45.042 45.100 0.177 0.000 0.661 295 G HN 0.727 nan 8.290 nan 0.000 0.518 296 D N 0.880 121.250 120.400 -0.051 0.000 2.412 296 D HA 0.306 4.946 4.640 0.000 0.000 0.257 296 D C -0.231 176.005 176.300 -0.107 0.000 1.217 296 D CA -1.493 52.264 54.000 -0.405 0.000 0.897 296 D CB 1.178 41.589 40.800 -0.648 0.000 1.132 296 D HN 0.171 nan 8.370 nan 0.000 0.493 297 P HA -0.106 nan 4.420 nan 0.000 0.215 297 P C 1.671 179.042 177.300 0.118 0.000 1.153 297 P CA 0.808 63.990 63.100 0.136 0.000 0.853 297 P CB 0.262 32.042 31.700 0.133 0.000 0.788 298 I N -0.138 120.433 120.570 0.002 0.000 2.052 298 I HA -0.272 3.898 4.170 0.000 0.000 0.235 298 I C 2.349 178.453 176.117 -0.022 0.000 1.046 298 I CA 1.924 63.217 61.300 -0.011 0.000 1.308 298 I CB -1.383 36.574 38.000 -0.073 0.000 1.031 298 I HN -0.123 nan 8.210 nan 0.000 0.395 299 V N 0.389 120.254 119.914 -0.083 0.000 2.511 299 V HA -0.292 3.828 4.120 0.000 0.000 0.257 299 V C 1.674 177.716 176.094 -0.086 0.000 1.088 299 V CA 2.209 64.457 62.300 -0.086 0.000 1.098 299 V CB -1.404 30.351 31.823 -0.113 0.000 0.674 299 V HN 0.790 nan 8.190 nan 0.000 0.470 300 Q N -2.123 117.608 119.800 -0.115 0.000 2.175 300 Q HA 0.343 4.683 4.340 0.000 0.000 0.225 300 Q C 1.083 176.851 176.000 -0.386 0.000 0.837 300 Q CA 0.014 55.682 55.803 -0.225 0.000 1.032 300 Q CB 0.176 28.750 28.738 -0.274 0.000 1.137 300 Q HN 0.730 nan 8.270 nan 0.000 0.483 301 H N -0.929 118.125 119.070 -0.026 0.000 3.710 301 H HA 0.196 4.752 4.556 0.000 0.000 0.245 301 H C 1.333 176.650 175.328 -0.019 0.000 1.011 301 H CA -0.096 55.941 56.048 -0.019 0.000 1.098 301 H CB 0.624 30.375 29.762 -0.017 0.000 1.406 301 H HN 0.094 nan 8.280 nan 0.000 0.657 302 R N 1.757 122.309 120.500 0.087 0.000 2.092 302 R HA -0.022 4.318 4.340 0.000 0.000 0.231 302 R C -1.184 175.128 176.300 0.021 0.000 1.119 302 R CA 0.772 56.895 56.100 0.038 0.000 0.970 302 R CB -0.920 29.385 30.300 0.009 0.000 0.864 302 R HN 0.257 nan 8.270 nan 0.000 0.440 303 P HA -0.112 nan 4.420 nan 0.000 0.217 303 P C 1.507 178.815 177.300 0.013 0.000 1.150 303 P CA 0.901 64.001 63.100 0.001 0.000 0.832 303 P CB -0.078 31.614 31.700 -0.014 0.000 0.787 304 M N -0.849 118.765 119.600 0.023 0.000 2.066 304 M HA -0.111 4.369 4.480 0.000 0.000 0.259 304 M C 2.135 178.459 176.300 0.041 0.000 1.074 304 M CA 1.878 57.200 55.300 0.037 0.000 1.114 304 M CB -1.700 30.941 32.600 0.068 0.000 1.306 304 M HN -0.098 nan 8.290 nan 0.000 0.411 305 L N -0.661 120.591 121.223 0.048 0.000 2.012 305 L HA -0.247 4.093 4.340 0.000 0.000 0.210 305 L C 2.505 179.391 176.870 0.026 0.000 1.073 305 L CA 1.246 56.108 54.840 0.035 0.000 0.748 305 L CB -0.899 41.177 42.059 0.029 0.000 0.891 305 L HN 0.309 nan 8.230 nan 0.000 0.431 306 E N 0.426 120.638 120.200 0.021 0.000 2.035 306 E HA -0.319 4.031 4.350 0.000 0.000 0.204 306 E C 1.992 178.606 176.600 0.024 0.000 1.025 306 E CA 1.871 58.280 56.400 0.015 0.000 0.835 306 E CB -0.251 29.454 29.700 0.009 0.000 0.764 306 E HN 0.482 nan 8.360 nan 0.000 0.457 307 E N 0.140 120.355 120.200 0.025 0.000 2.086 307 E HA -0.266 4.084 4.350 0.000 0.000 0.200 307 E C 2.257 178.879 176.600 0.037 0.000 1.012 307 E CA 1.364 57.782 56.400 0.030 0.000 0.812 307 E CB -0.008 29.707 29.700 0.025 0.000 0.743 307 E HN 0.085 nan 8.360 nan 0.000 0.453 308 R N 0.263 120.785 120.500 0.036 0.000 2.070 308 R HA -0.136 4.205 4.340 0.000 0.000 0.233 308 R C 2.548 178.878 176.300 0.050 0.000 1.137 308 R CA 1.314 57.438 56.100 0.040 0.000 0.945 308 R CB -0.585 29.737 30.300 0.036 0.000 0.845 308 R HN 0.386 nan 8.270 nan 0.000 0.430 309 I N 1.192 121.790 120.570 0.047 0.000 2.315 309 I HA -0.192 3.978 4.170 0.000 0.000 0.248 309 I C 2.031 178.202 176.117 0.090 0.000 1.117 309 I CA 1.265 62.600 61.300 0.059 0.000 1.404 309 I CB -0.374 37.647 38.000 0.033 0.000 1.071 309 I HN -0.065 nan 8.210 nan 0.000 0.419 310 V N 1.390 121.350 119.914 0.077 0.000 2.343 310 V HA -0.273 3.847 4.120 0.000 0.000 0.247 310 V C 2.546 178.722 176.094 0.138 0.000 1.051 310 V CA 2.091 64.458 62.300 0.111 0.000 1.036 310 V CB -0.694 31.175 31.823 0.077 0.000 0.654 310 V HN 0.425 nan 8.190 nan 0.000 0.451 311 E N 0.688 120.944 120.200 0.092 0.000 2.021 311 E HA -0.245 4.105 4.350 0.000 0.000 0.200 311 E C 2.081 178.735 176.600 0.089 0.000 1.015 311 E CA 1.951 58.396 56.400 0.075 0.000 0.824 311 E CB -0.672 29.059 29.700 0.053 0.000 0.762 311 E HN 0.474 nan 8.360 nan 0.000 0.454 312 L N -0.405 120.875 121.223 0.095 0.000 2.034 312 L HA -0.236 4.104 4.340 0.000 0.000 0.217 312 L C 2.543 179.498 176.870 0.140 0.000 1.077 312 L CA 1.849 56.749 54.840 0.100 0.000 0.769 312 L CB -0.579 41.543 42.059 0.105 0.000 0.890 312 L HN 0.246 nan 8.230 nan 0.000 0.435 313 F N 0.521 120.484 119.950 0.023 0.000 2.113 313 F HA -0.186 4.341 4.527 0.000 0.000 0.297 313 F C 2.799 178.600 175.800 0.003 0.000 1.103 313 F CA 1.542 59.555 58.000 0.022 0.000 1.248 313 F CB -0.353 38.675 39.000 0.047 0.000 0.999 313 F HN -0.123 nan 8.300 nan 0.000 0.475 314 R N 0.431 120.985 120.500 0.091 0.000 2.113 314 R HA -0.239 4.101 4.340 0.000 0.000 0.244 314 R C 1.977 178.212 176.300 -0.110 0.000 1.142 314 R CA 2.274 58.358 56.100 -0.027 0.000 0.953 314 R CB -0.394 29.932 30.300 0.043 0.000 0.860 314 R HN 0.344 nan 8.270 nan 0.000 0.438 315 N N 0.527 119.190 118.700 -0.063 0.000 2.148 315 N HA -0.158 4.582 4.740 0.000 0.000 0.186 315 N C 1.783 177.227 175.510 -0.110 0.000 1.031 315 N CA 1.009 54.020 53.050 -0.065 0.000 0.848 315 N CB -0.609 37.863 38.487 -0.025 0.000 1.005 315 N HN 0.165 nan 8.380 nan 0.000 0.427 316 L N 1.128 122.278 121.223 -0.121 0.000 2.013 316 L HA -0.117 4.223 4.340 0.000 0.000 0.212 316 L C 2.163 178.876 176.870 -0.263 0.000 1.073 316 L CA 1.579 56.329 54.840 -0.149 0.000 0.753 316 L CB -0.513 41.479 42.059 -0.111 0.000 0.890 316 L HN 0.049 nan 8.230 nan 0.000 0.432 317 M N -0.518 118.810 119.600 -0.453 0.000 2.065 317 M HA -0.234 4.246 4.480 0.000 0.000 0.259 317 M C 2.287 178.409 176.300 -0.296 0.000 1.069 317 M CA 1.855 56.833 55.300 -0.537 0.000 1.110 317 M CB -0.915 31.221 32.600 -0.773 0.000 1.328 317 M HN 0.310 nan 8.290 nan 0.000 0.405 318 K N -0.557 119.720 120.400 -0.205 0.000 2.002 318 K HA -0.103 4.217 4.320 0.000 0.000 0.209 318 K C 1.995 178.585 176.600 -0.017 0.000 1.048 318 K CA 1.848 58.082 56.287 -0.089 0.000 0.930 318 K CB -0.268 32.198 32.500 -0.057 0.000 0.714 318 K HN 0.250 nan 8.250 nan 0.000 0.438 319 S N 1.141 116.811 115.700 -0.049 0.000 2.399 319 S HA -0.131 4.339 4.470 0.000 0.000 0.231 319 S C 2.046 176.623 174.600 -0.038 0.000 1.022 319 S CA 1.130 59.313 58.200 -0.029 0.000 0.983 319 S CB -0.215 62.961 63.200 -0.039 0.000 0.803 319 S HN 0.416 nan 8.310 nan 0.000 0.480 320 A N 0.492 123.264 122.820 -0.079 0.000 2.216 320 A HA 0.116 4.436 4.320 0.000 0.000 0.214 320 A C 0.543 178.116 177.584 -0.017 0.000 1.160 320 A CA 0.413 52.389 52.037 -0.103 0.000 0.725 320 A CB -0.494 18.395 19.000 -0.184 0.000 0.784 320 A HN 0.376 nan 8.150 nan 0.000 0.472 321 F N 1.262 121.112 119.950 -0.168 0.000 2.390 321 F HA 0.474 5.001 4.527 0.000 0.000 0.361 321 F C 0.145 175.863 175.800 -0.137 0.000 1.124 321 F CA -1.512 56.400 58.000 -0.147 0.000 1.149 321 F CB 0.936 39.867 39.000 -0.115 0.000 1.160 321 F HN 0.090 nan 8.300 nan 0.000 0.501 322 V N 3.661 123.375 119.914 -0.332 0.000 3.119 322 V HA 0.719 4.839 4.120 0.000 0.000 0.311 322 V C -1.165 174.641 176.094 -0.480 0.000 1.259 322 V CA -1.031 61.063 62.300 -0.343 0.000 1.067 322 V CB 1.651 33.378 31.823 -0.159 0.000 1.123 322 V HN 0.229 nan 8.190 nan 0.000 0.463 323 V N 1.275 121.002 119.914 -0.311 0.000 2.275 323 V HA 0.348 4.468 4.120 0.000 0.000 0.272 323 V C 1.215 177.255 176.094 -0.090 0.000 1.028 323 V CA 0.453 62.535 62.300 -0.362 0.000 0.810 323 V CB 0.091 31.680 31.823 -0.389 0.000 1.043 323 V HN 1.098 nan 8.190 nan 0.000 0.453 324 E N 4.658 124.806 120.200 -0.087 0.000 2.038 324 E HA -0.112 4.238 4.350 0.000 0.000 0.195 324 E C 0.723 177.353 176.600 0.049 0.000 1.000 324 E CA 1.182 57.596 56.400 0.024 0.000 0.803 324 E CB 0.309 29.985 29.700 -0.040 0.000 0.750 324 E HN 0.591 nan 8.360 nan 0.000 0.448 325 R N 1.122 121.616 120.500 -0.010 0.000 2.451 325 R HA 0.211 4.551 4.340 0.000 0.000 0.307 325 R C -0.702 175.587 176.300 -0.018 0.000 0.965 325 R CA -0.736 55.363 56.100 -0.002 0.000 0.865 325 R CB 1.666 31.974 30.300 0.014 0.000 1.174 325 R HN 0.151 nan 8.270 nan 0.000 0.455 326 Q N 2.185 121.964 119.800 -0.035 0.000 2.540 326 Q HA 0.082 4.422 4.340 0.000 0.000 0.256 326 Q C -2.106 173.899 176.000 0.008 0.000 1.084 326 Q CA -1.289 54.490 55.803 -0.039 0.000 0.956 326 Q CB 0.028 28.726 28.738 -0.067 0.000 1.303 326 Q HN 0.285 nan 8.270 nan 0.000 0.509 327 P HA 0.060 nan 4.420 nan 0.000 0.267 327 P C -0.738 176.522 177.300 -0.067 0.000 1.209 327 P CA 0.072 63.163 63.100 -0.015 0.000 0.763 327 P CB 0.461 32.070 31.700 -0.152 0.000 0.816 328 C N 5.128 124.438 119.300 0.017 0.000 3.146 328 C HA 0.366 4.826 4.460 0.000 0.000 0.405 328 C C -0.513 174.556 174.990 0.132 0.000 1.012 328 C CA -0.698 58.333 59.018 0.021 0.000 1.217 328 C CB 0.367 28.123 27.740 0.027 0.000 1.599 328 C HN 0.525 nan 8.230 nan 0.000 0.567 329 M N 7.766 127.445 119.600 0.131 0.000 2.303 329 M HA 0.185 4.665 4.480 0.000 0.000 0.350 329 M C -0.975 175.413 176.300 0.147 0.000 1.518 329 M CA -0.658 54.767 55.300 0.209 0.000 1.070 329 M CB 0.739 33.473 32.600 0.223 0.000 1.910 329 M HN 0.538 nan 8.290 nan 0.000 0.458 330 P HA -0.192 nan 4.420 nan 0.000 0.222 330 P C 0.807 178.111 177.300 0.007 0.000 1.142 330 P CA 1.449 64.582 63.100 0.055 0.000 0.788 330 P CB 0.117 31.847 31.700 0.050 0.000 0.767 331 M N -1.734 117.870 119.600 0.007 0.000 2.428 331 M HA 0.078 4.558 4.480 0.000 0.000 0.239 331 M C 0.543 176.612 176.300 -0.385 0.000 1.121 331 M CA 0.627 55.843 55.300 -0.140 0.000 1.019 331 M CB -0.625 31.906 32.600 -0.114 0.000 1.485 331 M HN 0.064 nan 8.290 nan 0.000 0.484 332 H N 0.140 119.181 119.070 -0.049 0.000 2.716 332 H HA 0.230 4.787 4.556 0.000 0.000 0.230 332 H C -1.695 173.562 175.328 -0.119 0.000 1.401 332 H CA -1.005 54.984 56.048 -0.098 0.000 1.168 332 H CB 0.718 30.426 29.762 -0.090 0.000 1.935 332 H HN 0.076 nan 8.280 nan 0.000 0.538 333 P HA -0.179 nan 4.420 nan 0.000 0.216 333 P C 0.668 177.905 177.300 -0.105 0.000 1.154 333 P CA 1.303 64.368 63.100 -0.059 0.000 0.865 333 P CB 0.487 32.146 31.700 -0.068 0.000 0.789 334 D N -0.918 119.378 120.400 -0.173 0.000 2.336 334 D HA 0.017 4.657 4.640 0.000 0.000 0.229 334 D C 0.679 176.622 176.300 -0.596 0.000 1.061 334 D CA 0.464 54.294 54.000 -0.283 0.000 0.875 334 D CB -0.014 40.625 40.800 -0.268 0.000 0.904 334 D HN 0.098 nan 8.370 nan 0.000 0.525 335 R N 1.381 121.619 120.500 -0.436 0.000 2.835 335 R HA 0.243 4.583 4.340 0.000 0.000 0.290 335 R C -2.623 173.602 176.300 -0.126 0.000 1.410 335 R CA -1.596 54.178 56.100 -0.544 0.000 1.590 335 R CB 1.068 31.165 30.300 -0.339 0.000 1.288 335 R HN 0.115 nan 8.270 nan 0.000 0.637 336 P HA 0.178 nan 4.420 nan 0.000 0.278 336 P C 0.592 178.003 177.300 0.185 0.000 1.238 336 P CA -0.235 62.931 63.100 0.110 0.000 0.794 336 P CB 1.442 33.209 31.700 0.113 0.000 0.955 337 L N -1.136 120.104 121.223 0.029 0.000 5.044 337 L HA -0.160 4.180 4.340 0.000 0.000 0.412 337 L C -0.172 176.686 176.870 -0.020 0.000 0.971 337 L CA 0.412 55.234 54.840 -0.030 0.000 1.411 337 L CB -1.731 40.300 42.059 -0.046 0.000 1.884 337 L HN 0.190 nan 8.230 nan 0.000 0.631 338 V N 1.845 121.773 119.914 0.023 0.000 2.376 338 V HA 0.537 4.657 4.120 0.000 0.000 0.287 338 V C 0.076 176.122 176.094 -0.080 0.000 1.015 338 V CA -0.162 62.145 62.300 0.013 0.000 0.834 338 V CB 1.854 33.752 31.823 0.126 0.000 1.001 338 V HN 0.144 nan 8.190 nan 0.000 0.428 339 I N 4.347 124.841 120.570 -0.127 0.000 2.545 339 I HA 0.502 4.672 4.170 0.000 0.000 0.292 339 I C -0.220 175.850 176.117 -0.079 0.000 1.040 339 I CA -0.788 60.424 61.300 -0.147 0.000 1.068 339 I CB 2.225 40.043 38.000 -0.304 0.000 1.251 339 I HN 0.427 nan 8.210 nan 0.000 0.424 340 K N 4.703 125.081 120.400 -0.036 0.000 2.248 340 K HA 0.312 4.632 4.320 0.000 0.000 0.281 340 K C -0.003 176.647 176.600 0.084 0.000 1.054 340 K CA -0.430 55.866 56.287 0.015 0.000 0.903 340 K CB 0.931 33.425 32.500 -0.011 0.000 1.077 340 K HN 0.762 nan 8.250 nan 0.000 0.474 341 T N 1.420 116.047 114.554 0.123 0.000 2.908 341 T HA 0.221 4.571 4.350 0.000 0.000 0.301 341 T C 1.100 175.876 174.700 0.127 0.000 1.019 341 T CA 0.332 62.533 62.100 0.168 0.000 1.152 341 T CB 0.681 69.684 68.868 0.224 0.000 0.966 341 T HN 0.916 nan 8.240 nan 0.000 0.540 342 G N 1.763 110.642 108.800 0.132 0.000 2.213 342 G HA2 -0.203 3.757 3.960 0.000 0.000 0.236 342 G HA3 -0.203 3.757 3.960 0.000 0.000 0.236 342 G C 0.020 174.983 174.900 0.105 0.000 0.991 342 G CA -0.189 44.969 45.100 0.097 0.000 0.629 342 G HN 1.080 nan 8.290 nan 0.000 0.517 343 V N 1.167 121.166 119.914 0.142 0.000 2.539 343 V HA 0.584 4.704 4.120 0.000 0.000 0.292 343 V C 0.586 176.808 176.094 0.213 0.000 1.045 343 V CA -0.464 61.933 62.300 0.161 0.000 0.945 343 V CB 1.800 33.724 31.823 0.167 0.000 0.993 343 V HN 0.404 nan 8.190 nan 0.000 0.464 344 Q N 2.543 122.437 119.800 0.156 0.000 2.274 344 Q HA 0.561 4.902 4.340 0.000 0.000 0.256 344 Q C -1.048 175.049 176.000 0.161 0.000 0.927 344 Q CA -0.398 55.453 55.803 0.081 0.000 0.939 344 Q CB 1.076 29.856 28.738 0.068 0.000 1.201 344 Q HN 0.695 nan 8.270 nan 0.000 0.426 345 F N -0.203 119.792 119.950 0.075 0.000 2.790 345 F HA 0.840 5.367 4.527 0.000 0.000 0.386 345 F C -0.592 175.238 175.800 0.049 0.000 1.206 345 F CA -0.974 57.060 58.000 0.057 0.000 1.109 345 F CB 1.176 40.205 39.000 0.047 0.000 1.469 345 F HN 0.345 nan 8.300 nan 0.000 0.513 346 T N -1.730 113.039 114.554 0.359 0.000 3.395 346 T HA 0.482 4.832 4.350 0.000 0.000 0.330 346 T C -0.974 173.904 174.700 0.296 0.000 1.076 346 T CA -0.397 61.830 62.100 0.213 0.000 1.070 346 T CB 0.883 69.788 68.868 0.061 0.000 1.119 346 T HN 1.081 nan 8.240 nan 0.000 0.462 347 T N 1.355 116.115 114.554 0.343 0.000 2.870 347 T HA 0.820 5.170 4.350 0.000 0.000 0.277 347 T C -1.491 173.370 174.700 0.269 0.000 1.000 347 T CA -0.748 61.529 62.100 0.295 0.000 0.982 347 T CB 1.528 70.630 68.868 0.392 0.000 1.249 347 T HN 0.966 nan 8.240 nan 0.000 0.589 348 K N 1.393 121.887 120.400 0.156 0.000 2.579 348 K HA 0.498 4.818 4.320 0.000 0.000 0.257 348 K C -1.383 175.164 176.600 -0.088 0.000 0.950 348 K CA -0.738 55.617 56.287 0.112 0.000 0.862 348 K CB 1.273 33.813 32.500 0.067 0.000 1.317 348 K HN 0.557 nan 8.250 nan 0.000 0.436 349 V N 0.649 120.522 119.914 -0.069 0.000 2.975 349 V HA 0.793 4.913 4.120 0.000 0.000 0.318 349 V C -0.538 175.511 176.094 -0.074 0.000 1.077 349 V CA -0.889 61.271 62.300 -0.234 0.000 1.000 349 V CB 1.648 33.297 31.823 -0.289 0.000 1.066 349 V HN 0.900 nan 8.190 nan 0.000 0.452 350 R N 1.557 121.994 120.500 -0.105 0.000 2.626 350 R HA 0.690 5.030 4.340 0.000 0.000 0.274 350 R C -2.171 174.146 176.300 0.027 0.000 1.031 350 R CA -0.704 55.370 56.100 -0.044 0.000 0.898 350 R CB 1.885 32.116 30.300 -0.115 0.000 1.222 350 R HN 0.791 nan 8.270 nan 0.000 0.455 351 L N 6.164 127.404 121.223 0.028 0.000 2.280 351 L HA 0.404 4.744 4.340 0.000 0.000 0.287 351 L C -0.445 176.351 176.870 -0.123 0.000 1.023 351 L CA -0.313 54.525 54.840 -0.004 0.000 0.819 351 L CB 1.474 43.496 42.059 -0.061 0.000 1.212 351 L HN 0.867 nan 8.230 nan 0.000 0.420 352 L N 5.608 126.736 121.223 -0.157 0.000 2.660 352 L HA 0.158 4.498 4.340 0.000 0.000 0.238 352 L C 0.067 176.803 176.870 -0.222 0.000 1.161 352 L CA 0.009 54.730 54.840 -0.198 0.000 0.937 352 L CB -0.161 41.767 42.059 -0.220 0.000 1.122 352 L HN 0.353 nan 8.230 nan 0.000 0.435 353 V N 0.582 120.318 119.914 -0.297 0.000 2.225 353 V HA 0.090 4.210 4.120 0.000 0.000 0.264 353 V C 0.637 176.436 176.094 -0.491 0.000 1.067 353 V CA -0.611 61.395 62.300 -0.490 0.000 0.903 353 V CB 0.856 32.268 31.823 -0.685 0.000 1.136 353 V HN 0.195 nan 8.190 nan 0.000 0.456 354 K N 3.652 123.912 120.400 -0.232 0.000 2.062 354 K HA 0.124 4.444 4.320 0.000 0.000 0.251 354 K C -1.066 175.643 176.600 0.181 0.000 1.113 354 K CA 0.090 56.339 56.287 -0.063 0.000 1.096 354 K CB -0.119 32.364 32.500 -0.029 0.000 1.099 354 K HN 0.273 nan 8.250 nan 0.000 0.350 355 F N 4.734 124.652 119.950 -0.052 0.000 2.375 355 F HA 0.305 4.832 4.527 0.000 0.000 0.361 355 F C -1.566 174.212 175.800 -0.036 0.000 1.117 355 F CA -3.043 54.931 58.000 -0.043 0.000 1.037 355 F CB 1.545 40.491 39.000 -0.090 0.000 1.192 355 F HN 0.349 nan 8.300 nan 0.000 0.452 356 P HA -0.163 nan 4.420 nan 0.000 0.218 356 P C 0.961 178.315 177.300 0.090 0.000 1.148 356 P CA 1.443 64.594 63.100 0.084 0.000 0.822 356 P CB 0.426 32.159 31.700 0.055 0.000 0.784 357 E N -0.385 119.877 120.200 0.103 0.000 2.072 357 E HA -0.113 4.237 4.350 0.000 0.000 0.191 357 E C 1.904 178.598 176.600 0.157 0.000 0.985 357 E CA 0.908 57.393 56.400 0.141 0.000 0.801 357 E CB -1.247 28.592 29.700 0.230 0.000 0.750 357 E HN 0.239 nan 8.360 nan 0.000 0.452 358 L N 0.935 122.236 121.223 0.130 0.000 2.275 358 L HA -0.069 4.271 4.340 0.000 0.000 0.215 358 L C 0.839 177.746 176.870 0.061 0.000 1.119 358 L CA -0.031 54.861 54.840 0.087 0.000 0.790 358 L CB -0.702 41.375 42.059 0.031 0.000 0.919 358 L HN 0.137 nan 8.230 nan 0.000 0.443 359 N N -0.037 118.687 118.700 0.040 0.000 2.217 359 N HA -0.235 4.505 4.740 0.000 0.000 0.268 359 N C 0.192 175.730 175.510 0.046 0.000 1.290 359 N CA 0.606 53.625 53.050 -0.052 0.000 0.831 359 N CB -0.012 38.448 38.487 -0.045 0.000 1.057 359 N HN 0.141 nan 8.380 nan 0.000 0.481 360 Y N -0.652 119.666 120.300 0.030 0.000 4.784 360 Y HA -0.331 4.219 4.550 0.000 0.000 0.278 360 Y C 1.530 177.452 175.900 0.036 0.000 0.980 360 Y CA 1.385 59.501 58.100 0.027 0.000 1.845 360 Y CB -1.811 36.663 38.460 0.024 0.000 1.177 360 Y HN 0.792 nan 8.280 nan 0.000 0.460 361 Q N 0.634 120.527 119.800 0.155 0.000 2.444 361 Q HA 0.203 4.544 4.340 0.000 0.000 0.206 361 Q C -0.237 175.824 176.000 0.102 0.000 0.948 361 Q CA 0.325 56.209 55.803 0.135 0.000 0.946 361 Q CB 0.192 29.015 28.738 0.141 0.000 1.027 361 Q HN 0.490 nan 8.270 nan 0.000 0.513 362 L N 1.779 123.043 121.223 0.068 0.000 2.349 362 L HA 0.449 4.789 4.340 0.000 0.000 0.278 362 L C -0.689 176.219 176.870 0.062 0.000 0.996 362 L CA -0.599 54.268 54.840 0.045 0.000 0.825 362 L CB 1.826 43.877 42.059 -0.014 0.000 1.243 362 L HN -0.089 nan 8.230 nan 0.000 0.412 363 K N 5.085 125.534 120.400 0.081 0.000 2.263 363 K HA 0.442 4.762 4.320 0.000 0.000 0.272 363 K C -0.852 175.833 176.600 0.143 0.000 1.033 363 K CA -0.654 55.693 56.287 0.099 0.000 0.884 363 K CB 1.118 33.675 32.500 0.096 0.000 1.107 363 K HN 0.421 nan 8.250 nan 0.000 0.460 364 I N 3.868 124.568 120.570 0.216 0.000 2.385 364 I HA 0.266 4.436 4.170 0.000 0.000 0.294 364 I C 0.044 176.412 176.117 0.418 0.000 0.988 364 I CA -0.467 61.059 61.300 0.376 0.000 1.265 364 I CB 1.180 39.553 38.000 0.621 0.000 1.388 364 I HN 0.573 nan 8.210 nan 0.000 0.480 365 K N 5.667 126.251 120.400 0.305 0.000 2.507 365 K HA 0.429 4.749 4.320 0.000 0.000 0.253 365 K C -1.261 175.360 176.600 0.035 0.000 0.969 365 K CA -0.452 55.953 56.287 0.198 0.000 0.908 365 K CB 1.854 34.431 32.500 0.128 0.000 1.127 365 K HN 0.459 nan 8.250 nan 0.000 0.437 366 V N 6.250 126.063 119.914 -0.168 0.000 2.461 366 V HA 0.268 4.388 4.120 0.000 0.000 0.275 366 V C 0.369 176.272 176.094 -0.319 0.000 1.047 366 V CA -0.346 61.606 62.300 -0.580 0.000 0.955 366 V CB 0.099 31.144 31.823 -1.295 0.000 0.988 366 V HN 1.027 nan 8.190 nan 0.000 0.471 367 C N 5.893 125.038 119.300 -0.259 0.000 3.002 367 C HA 0.838 5.299 4.460 0.000 0.000 0.298 367 C C 0.102 175.013 174.990 -0.132 0.000 3.043 367 C CA -0.709 58.230 59.018 -0.131 0.000 1.888 367 C CB 0.785 28.489 27.740 -0.060 0.000 3.007 367 C HN 1.105 nan 8.230 nan 0.000 0.425 368 I N 0.758 121.290 120.570 -0.064 0.000 2.693 368 I HA 0.248 4.418 4.170 0.000 0.000 0.271 368 I C -2.091 174.023 176.117 -0.004 0.000 1.408 368 I CA 0.192 61.466 61.300 -0.043 0.000 1.179 368 I CB 0.416 38.400 38.000 -0.027 0.000 1.497 368 I HN 0.980 nan 8.210 nan 0.000 0.434 369 D N 6.016 126.417 120.400 0.002 0.000 7.535 369 D HA -0.151 4.489 4.640 0.000 0.000 0.259 369 D C -1.081 175.232 176.300 0.023 0.000 2.071 369 D CA 1.359 55.376 54.000 0.027 0.000 1.897 369 D CB -0.102 40.736 40.800 0.063 0.000 0.821 369 D HN 0.857 nan 8.370 nan 0.000 0.521 380 G N 0.745 109.578 108.800 0.055 0.000 2.328 380 G HA2 -0.321 3.639 3.960 0.000 0.000 0.256 380 G HA3 -0.321 3.639 3.960 0.000 0.000 0.256 380 G C -0.012 174.935 174.900 0.078 0.000 1.014 380 G CA 0.723 45.857 45.100 0.056 0.000 0.620 380 G HN 0.687 nan 8.290 nan 0.000 0.530 381 S N 0.604 116.366 115.700 0.105 0.000 2.572 381 S HA 0.367 4.837 4.470 0.000 0.000 0.267 381 S C 0.831 175.541 174.600 0.184 0.000 1.361 381 S CA -0.002 58.298 58.200 0.168 0.000 1.009 381 S CB 0.382 63.706 63.200 0.207 0.000 0.888 381 S HN 0.572 nan 8.310 nan 0.000 0.553 382 R N 1.356 122.022 120.500 0.277 0.000 2.248 382 R HA 0.233 4.573 4.340 0.000 0.000 0.328 382 R C -0.058 176.374 176.300 0.221 0.000 1.067 382 R CA -0.231 55.972 56.100 0.172 0.000 0.924 382 R CB 0.394 30.795 30.300 0.169 0.000 1.013 382 R HN 0.429 nan 8.270 nan 0.000 0.454 383 K N 3.581 124.012 120.400 0.051 0.000 2.201 383 K HA 0.228 4.548 4.320 0.000 0.000 0.278 383 K C -0.876 175.719 176.600 -0.008 0.000 1.027 383 K CA -0.280 56.069 56.287 0.102 0.000 0.909 383 K CB 0.555 33.085 32.500 0.050 0.000 1.062 383 K HN 0.226 nan 8.250 nan 0.000 0.465 384 F N 1.602 121.457 119.950 -0.158 0.000 2.544 384 F HA 0.466 4.993 4.527 0.000 0.000 0.378 384 F C -0.094 175.661 175.800 -0.075 0.000 1.112 384 F CA -0.940 56.985 58.000 -0.125 0.000 1.115 384 F CB 1.186 40.077 39.000 -0.181 0.000 1.436 384 F HN 0.555 nan 8.300 nan 0.000 0.496 385 N N -0.457 118.348 118.700 0.176 0.000 2.554 385 N HA 0.412 5.152 4.740 0.000 0.000 0.271 385 N C -1.603 173.966 175.510 0.097 0.000 1.081 385 N CA -0.518 52.585 53.050 0.089 0.000 0.994 385 N CB 2.066 40.578 38.487 0.042 0.000 1.641 385 N HN 0.267 nan 8.380 nan 0.000 0.511 386 I N 2.386 122.999 120.570 0.072 0.000 2.823 386 I HA 0.356 4.527 4.170 0.000 0.000 0.290 386 I C -0.194 175.948 176.117 0.043 0.000 1.091 386 I CA -0.274 61.072 61.300 0.077 0.000 1.365 386 I CB 0.485 38.513 38.000 0.047 0.000 1.427 386 I HN 0.253 nan 8.210 nan 0.000 0.583 387 L N 2.735 123.974 121.223 0.027 0.000 2.376 387 L HA 0.865 5.205 4.340 0.000 0.000 0.258 387 L C 0.270 177.138 176.870 -0.004 0.000 1.013 387 L CA -0.701 54.147 54.840 0.014 0.000 0.822 387 L CB 1.732 43.803 42.059 0.021 0.000 1.388 387 L HN 0.907 nan 8.230 nan 0.000 0.413 388 G N 0.316 109.121 108.800 0.008 0.000 2.445 388 G HA2 -0.182 3.779 3.960 0.000 0.000 0.212 388 G HA3 -0.182 3.779 3.960 0.000 0.000 0.212 388 G C -0.297 174.623 174.900 0.034 0.000 1.217 388 G CA -0.356 44.751 45.100 0.012 0.000 1.002 388 G HN 0.540 nan 8.290 nan 0.000 0.574 389 T N 2.071 116.653 114.554 0.047 0.000 3.462 389 T HA 0.232 4.583 4.350 0.000 0.000 0.257 389 T C 1.578 176.347 174.700 0.114 0.000 1.015 389 T CA 0.755 62.891 62.100 0.060 0.000 1.135 389 T CB 0.141 69.036 68.868 0.046 0.000 1.061 389 T HN 0.752 nan 8.240 nan 0.000 0.772 390 N N 2.716 121.480 118.700 0.107 0.000 2.205 390 N HA -0.123 4.617 4.740 0.000 0.000 0.186 390 N C 0.762 176.439 175.510 0.277 0.000 1.015 390 N CA 1.258 54.394 53.050 0.145 0.000 0.862 390 N CB 0.091 38.626 38.487 0.081 0.000 0.986 390 N HN 0.662 nan 8.380 nan 0.000 0.429 391 T N -3.473 111.213 114.554 0.220 0.000 2.907 391 T HA 0.649 4.999 4.350 0.000 0.000 0.292 391 T C -0.764 173.930 174.700 -0.010 0.000 1.043 391 T CA -0.984 61.265 62.100 0.248 0.000 1.003 391 T CB 2.514 71.478 68.868 0.159 0.000 1.084 391 T HN 0.067 nan 8.240 nan 0.000 0.483 392 K N 0.585 120.879 120.400 -0.177 0.000 2.477 392 K HA 0.704 5.024 4.320 0.000 0.000 0.255 392 K C -1.632 174.895 176.600 -0.122 0.000 0.952 392 K CA -0.967 55.110 56.287 -0.349 0.000 0.826 392 K CB 2.399 34.337 32.500 -0.937 0.000 1.331 392 K HN 0.626 nan 8.250 nan 0.000 0.437 393 V N 4.772 124.646 119.914 -0.067 0.000 2.481 393 V HA 0.451 4.571 4.120 0.000 0.000 0.286 393 V C -0.134 175.950 176.094 -0.016 0.000 1.042 393 V CA -0.735 61.574 62.300 0.014 0.000 0.928 393 V CB 1.226 33.101 31.823 0.086 0.000 0.986 393 V HN 0.956 nan 8.190 nan 0.000 0.462 394 M N 7.045 126.643 119.600 -0.004 0.000 2.185 394 M HA 0.403 4.883 4.480 0.000 0.000 0.357 394 M C -0.338 175.866 176.300 -0.160 0.000 1.260 394 M CA 0.422 55.695 55.300 -0.046 0.000 1.124 394 M CB 0.282 32.878 32.600 -0.006 0.000 1.600 394 M HN 0.965 nan 8.290 nan 0.000 0.467 395 N N 3.532 122.094 118.700 -0.230 0.000 3.046 395 N HA 0.381 5.121 4.740 0.000 0.000 0.243 395 N C -1.877 173.457 175.510 -0.293 0.000 1.452 395 N CA -0.920 51.857 53.050 -0.455 0.000 0.882 395 N CB 0.940 38.911 38.487 -0.860 0.000 1.425 395 N HN 0.640 nan 8.380 nan 0.000 0.517 396 M N 0.938 120.355 119.600 -0.304 0.000 2.206 396 M HA 0.321 4.801 4.480 0.000 0.000 0.353 396 M C 0.141 176.375 176.300 -0.111 0.000 1.242 396 M CA -0.299 54.907 55.300 -0.158 0.000 1.179 396 M CB 0.936 33.468 32.600 -0.112 0.000 1.374 396 M HN 0.743 nan 8.290 nan 0.000 0.427 397 E N 2.089 122.241 120.200 -0.080 0.000 2.343 397 E HA 0.144 4.494 4.350 0.000 0.000 0.223 397 E C -0.024 176.562 176.600 -0.025 0.000 0.977 397 E CA 0.375 56.754 56.400 -0.035 0.000 1.027 397 E CB 0.396 30.080 29.700 -0.026 0.000 1.769 397 E HN 0.616 nan 8.360 nan 0.000 0.531 402 G N 0.314 109.087 108.800 -0.045 0.000 2.341 402 G HA2 -0.276 3.684 3.960 0.000 0.000 0.292 402 G HA3 -0.276 3.684 3.960 0.000 0.000 0.292 402 G C -0.226 174.641 174.900 -0.055 0.000 1.021 402 G CA 0.913 45.986 45.100 -0.045 0.000 0.905 402 G HN 0.442 nan 8.290 nan 0.000 0.508 403 S N -0.878 114.781 115.700 -0.068 0.000 2.608 403 S HA 0.606 5.076 4.470 0.000 0.000 0.291 403 S C 0.632 175.182 174.600 -0.083 0.000 1.146 403 S CA -0.754 57.399 58.200 -0.079 0.000 1.043 403 S CB 1.426 64.570 63.200 -0.094 0.000 1.037 403 S HN 0.375 nan 8.310 nan 0.000 0.520 404 L N 3.563 124.735 121.223 -0.085 0.000 2.485 404 L HA 0.271 4.611 4.340 0.000 0.000 0.279 404 L C 0.393 177.230 176.870 -0.055 0.000 1.124 404 L CA -0.016 54.774 54.840 -0.082 0.000 0.888 404 L CB -0.385 41.623 42.059 -0.086 0.000 1.217 404 L HN 0.755 nan 8.230 nan 0.000 0.464 405 S N 2.563 118.231 115.700 -0.053 0.000 2.570 405 S HA 0.878 5.348 4.470 0.000 0.000 0.270 405 S C -0.952 173.641 174.600 -0.011 0.000 1.149 405 S CA -0.732 57.459 58.200 -0.014 0.000 0.837 405 S CB 2.338 65.520 63.200 -0.030 0.000 1.124 405 S HN 0.552 nan 8.310 nan 0.000 0.465 406 A N 1.116 123.961 122.820 0.042 0.000 2.411 406 A HA 0.709 5.029 4.320 0.000 0.000 0.285 406 A C -0.618 176.998 177.584 0.054 0.000 1.129 406 A CA -0.497 51.539 52.037 -0.001 0.000 0.736 406 A CB 0.986 19.989 19.000 0.006 0.000 1.186 406 A HN 0.863 nan 8.150 nan 0.000 0.445 407 E N 2.112 122.300 120.200 -0.019 0.000 2.227 407 E HA 0.482 4.832 4.350 0.000 0.000 0.282 407 E C -1.345 175.260 176.600 0.008 0.000 1.015 407 E CA -0.445 56.001 56.400 0.078 0.000 0.823 407 E CB 0.543 30.257 29.700 0.024 0.000 1.081 407 E HN 0.487 nan 8.360 nan 0.000 0.396 408 F N 4.207 124.202 119.950 0.074 0.000 2.611 408 F HA 0.265 4.793 4.527 0.000 0.000 0.321 408 F C 0.498 176.266 175.800 -0.053 0.000 1.208 408 F CA -0.539 57.486 58.000 0.042 0.000 1.249 408 F CB 0.213 39.273 39.000 0.101 0.000 1.514 408 F HN 0.159 nan 8.300 nan 0.000 0.561 409 K N 0.528 120.912 120.400 -0.026 0.000 2.380 409 K HA 0.059 4.379 4.320 0.000 0.000 0.267 409 K C 0.177 176.626 176.600 -0.252 0.000 0.990 409 K CA 0.016 56.150 56.287 -0.255 0.000 0.946 409 K CB 0.197 32.387 32.500 -0.516 0.000 0.937 409 K HN 0.428 nan 8.250 nan 0.000 0.491 410 H N -0.813 118.216 119.070 -0.068 0.000 2.886 410 H HA -0.171 4.385 4.556 0.000 0.000 0.294 410 H C -0.763 174.446 175.328 -0.199 0.000 1.246 410 H CA 0.353 56.338 56.048 -0.105 0.000 1.142 410 H CB -1.998 27.731 29.762 -0.054 0.000 1.358 410 H HN 0.418 nan 8.280 nan 0.000 0.406 411 L N 1.060 122.063 121.223 -0.366 0.000 2.295 411 L HA 0.375 4.715 4.340 0.000 0.000 0.285 411 L C 0.778 177.200 176.870 -0.745 0.000 1.035 411 L CA -0.095 54.390 54.840 -0.591 0.000 0.806 411 L CB 1.662 43.209 42.059 -0.854 0.000 1.214 411 L HN 0.093 nan 8.230 nan 0.000 0.426 412 T N 3.540 117.932 114.554 -0.270 0.000 2.949 412 T HA 0.679 5.029 4.350 0.000 0.000 0.287 412 T C -0.461 174.312 174.700 0.122 0.000 1.034 412 T CA -0.483 61.599 62.100 -0.029 0.000 1.018 412 T CB 2.040 70.917 68.868 0.014 0.000 1.135 412 T HN 0.281 nan 8.240 nan 0.000 0.532 413 L N 0.818 122.168 121.223 0.212 0.000 2.309 413 L HA 0.809 5.149 4.340 0.000 0.000 0.261 413 L C -0.141 176.833 176.870 0.173 0.000 1.021 413 L CA -0.834 54.142 54.840 0.226 0.000 0.823 413 L CB 2.162 44.390 42.059 0.281 0.000 1.366 413 L HN 0.489 nan 8.230 nan 0.000 0.423 414 R N 0.422 121.025 120.500 0.172 0.000 2.741 414 R HA 0.337 4.677 4.340 0.000 0.000 0.274 414 R C -1.843 174.456 176.300 -0.001 0.000 1.029 414 R CA -0.693 55.456 56.100 0.081 0.000 0.880 414 R CB 1.982 32.302 30.300 0.034 0.000 1.264 414 R HN 0.613 nan 8.270 nan 0.000 0.465 415 E N 1.654 121.754 120.200 -0.166 0.000 2.158 415 E HA 0.101 4.451 4.350 0.000 0.000 0.271 415 E C -1.291 175.159 176.600 -0.250 0.000 0.911 415 E CA -0.426 55.727 56.400 -0.412 0.000 0.767 415 E CB 1.823 31.146 29.700 -0.628 0.000 1.120 415 E HN 0.431 nan 8.360 nan 0.000 0.405 416 Q N 4.685 124.347 119.800 -0.230 0.000 2.276 416 Q HA 0.028 4.368 4.340 0.000 0.000 0.267 416 Q C -0.271 175.645 176.000 -0.141 0.000 1.135 416 Q CA 0.445 56.171 55.803 -0.129 0.000 0.910 416 Q CB 0.486 29.172 28.738 -0.086 0.000 1.271 416 Q HN 0.376 nan 8.270 nan 0.000 0.417 417 R N 2.290 122.727 120.500 -0.104 0.000 2.810 417 R HA 0.452 4.792 4.340 0.000 0.000 0.245 417 R C -0.224 176.043 176.300 -0.054 0.000 1.168 417 R CA -0.396 55.652 56.100 -0.087 0.000 1.096 417 R CB 0.893 31.145 30.300 -0.080 0.000 1.259 417 R HN 0.959 nan 8.270 nan 0.000 0.518 432 V N 0.796 120.756 119.914 0.078 0.000 2.283 432 V HA -0.110 4.010 4.120 0.000 0.000 0.239 432 V C 2.465 178.607 176.094 0.079 0.000 1.035 432 V CA 2.647 65.007 62.300 0.099 0.000 1.018 432 V CB -0.897 30.989 31.823 0.105 0.000 0.658 432 V HN 0.949 nan 8.190 nan 0.000 0.459 433 T N -1.903 112.691 114.554 0.066 0.000 3.227 433 T HA -0.009 4.341 4.350 0.000 0.000 0.257 433 T C 0.901 175.606 174.700 0.007 0.000 1.162 433 T CA 0.926 63.065 62.100 0.065 0.000 1.051 433 T CB -0.291 68.634 68.868 0.096 0.000 0.953 433 T HN 0.602 nan 8.240 nan 0.000 0.535 434 E N 0.156 120.342 120.200 -0.023 0.000 2.693 434 E HA 0.182 4.533 4.350 0.000 0.000 0.214 434 E C -0.199 176.464 176.600 0.106 0.000 0.990 434 E CA -0.176 56.143 56.400 -0.136 0.000 1.047 434 E CB 0.635 30.206 29.700 -0.214 0.000 1.039 434 E HN 0.583 nan 8.360 nan 0.000 0.475 435 E N 1.706 121.938 120.200 0.053 0.000 2.145 435 E HA 0.328 4.678 4.350 0.000 0.000 0.270 435 E C -0.981 175.477 176.600 -0.237 0.000 0.906 435 E CA -0.372 56.003 56.400 -0.042 0.000 0.761 435 E CB 0.915 30.605 29.700 -0.017 0.000 1.116 435 E HN 0.092 nan 8.360 nan 0.000 0.408 436 L N 4.784 125.830 121.223 -0.296 0.000 2.325 436 L HA 0.508 4.848 4.340 0.000 0.000 0.278 436 L C -0.163 176.359 176.870 -0.580 0.000 1.023 436 L CA -0.881 53.743 54.840 -0.360 0.000 0.811 436 L CB 1.328 43.285 42.059 -0.170 0.000 1.249 436 L HN 0.495 nan 8.230 nan 0.000 0.431 437 H N 3.279 122.277 119.070 -0.120 0.000 2.821 437 H HA 0.595 5.151 4.556 0.000 0.000 0.373 437 H C -0.957 174.288 175.328 -0.138 0.000 1.165 437 H CA -0.674 55.297 56.048 -0.128 0.000 1.154 437 H CB 2.544 32.184 29.762 -0.202 0.000 1.765 437 H HN 0.360 nan 8.280 nan 0.000 0.549 438 L N 2.333 123.562 121.223 0.010 0.000 2.334 438 L HA 0.501 4.841 4.340 0.000 0.000 0.273 438 L C -0.075 176.787 176.870 -0.014 0.000 1.013 438 L CA -0.685 54.137 54.840 -0.031 0.000 0.816 438 L CB 1.888 43.884 42.059 -0.105 0.000 1.278 438 L HN 0.342 nan 8.230 nan 0.000 0.431 439 I N 1.241 121.822 120.570 0.018 0.000 2.378 439 I HA 0.357 4.527 4.170 0.000 0.000 0.291 439 I C -0.373 175.773 176.117 0.048 0.000 0.992 439 I CA -0.188 61.095 61.300 -0.029 0.000 1.154 439 I CB 1.961 39.923 38.000 -0.062 0.000 1.315 439 I HN 0.560 nan 8.210 nan 0.000 0.448 440 T N 5.784 120.295 114.554 -0.070 0.000 2.823 440 T HA 0.585 4.935 4.350 0.000 0.000 0.279 440 T C -0.602 174.027 174.700 -0.118 0.000 0.998 440 T CA -0.401 61.733 62.100 0.058 0.000 0.994 440 T CB 0.823 69.732 68.868 0.068 0.000 0.960 440 T HN 0.066 nan 8.240 nan 0.000 0.448 441 F N 1.650 121.605 119.950 0.007 0.000 2.480 441 F HA 0.676 5.203 4.527 0.000 0.000 0.329 441 F C 0.687 176.627 175.800 0.233 0.000 1.091 441 F CA -1.078 56.956 58.000 0.057 0.000 0.972 441 F CB 1.567 40.559 39.000 -0.013 0.000 1.150 441 F HN 0.525 nan 8.300 nan 0.000 0.467 442 E N -0.106 120.331 120.200 0.395 0.000 2.412 442 E HA 0.680 5.030 4.350 0.000 0.000 0.279 442 E C -1.273 175.448 176.600 0.203 0.000 0.984 442 E CA -1.140 55.439 56.400 0.299 0.000 0.788 442 E CB 2.727 32.532 29.700 0.176 0.000 1.277 442 E HN 0.513 nan 8.360 nan 0.000 0.455 443 T N 0.365 114.959 114.554 0.067 0.000 3.168 443 T HA 0.160 4.510 4.350 0.000 0.000 0.373 443 T C -1.829 172.816 174.700 -0.092 0.000 1.681 443 T CA -0.633 61.470 62.100 0.006 0.000 1.135 443 T CB 0.938 69.802 68.868 -0.007 0.000 1.477 443 T HN 0.434 nan 8.240 nan 0.000 0.480 444 E N 1.559 121.719 120.200 -0.066 0.000 2.250 444 E HA 0.722 5.072 4.350 0.000 0.000 0.265 444 E C -0.763 175.696 176.600 -0.236 0.000 1.033 444 E CA -1.045 55.250 56.400 -0.176 0.000 0.888 444 E CB 1.922 31.523 29.700 -0.165 0.000 1.151 444 E HN 0.376 nan 8.360 nan 0.000 0.412 445 V N 1.725 121.404 119.914 -0.393 0.000 2.709 445 V HA 0.322 4.442 4.120 0.000 0.000 0.308 445 V C -1.459 174.359 176.094 -0.459 0.000 1.062 445 V CA -0.931 61.202 62.300 -0.277 0.000 0.901 445 V CB 1.090 32.815 31.823 -0.164 0.000 1.003 445 V HN 0.574 nan 8.190 nan 0.000 0.425 446 Y N 2.852 123.215 120.300 0.104 0.000 2.332 446 Y HA 0.739 5.289 4.550 0.000 0.000 0.326 446 Y C -0.221 175.802 175.900 0.205 0.000 0.978 446 Y CA -0.416 57.758 58.100 0.123 0.000 1.205 446 Y CB 1.662 40.171 38.460 0.080 0.000 1.131 446 Y HN 0.805 nan 8.280 nan 0.000 0.462 447 H N 1.170 120.350 119.070 0.182 0.000 2.974 447 H HA 0.236 4.792 4.556 0.000 0.000 0.366 447 H C -0.225 175.163 175.328 0.101 0.000 1.155 447 H CA -0.856 55.282 56.048 0.150 0.000 1.186 447 H CB 1.560 31.438 29.762 0.193 0.000 1.799 447 H HN 0.660 nan 8.280 nan 0.000 0.541 448 Q N 2.800 122.379 119.800 -0.367 0.000 2.405 448 Q HA -0.225 4.115 4.340 0.000 0.000 0.265 448 Q C 0.239 176.201 176.000 -0.063 0.000 1.096 448 Q CA 1.290 56.948 55.803 -0.242 0.000 0.982 448 Q CB -1.432 27.174 28.738 -0.220 0.000 1.426 448 Q HN 1.265 nan 8.270 nan 0.000 0.527 449 G N -0.473 108.329 108.800 0.003 0.000 2.341 449 G HA2 -0.221 3.739 3.960 0.000 0.000 0.278 449 G HA3 -0.221 3.739 3.960 0.000 0.000 0.278 449 G C -0.414 174.543 174.900 0.094 0.000 1.111 449 G CA 0.283 45.415 45.100 0.053 0.000 0.982 449 G HN 0.293 nan 8.290 nan 0.000 0.502 450 L N -1.080 120.233 121.223 0.151 0.000 2.466 450 L HA 0.606 4.946 4.340 0.000 0.000 0.258 450 L C -0.082 176.862 176.870 0.124 0.000 0.973 450 L CA -1.127 53.798 54.840 0.142 0.000 0.826 450 L CB 2.528 44.675 42.059 0.147 0.000 1.372 450 L HN 0.202 nan 8.230 nan 0.000 0.409 451 K N 2.584 123.018 120.400 0.055 0.000 2.293 451 K HA 0.577 4.897 4.320 0.000 0.000 0.267 451 K C -1.485 175.030 176.600 -0.142 0.000 1.010 451 K CA -0.520 55.671 56.287 -0.161 0.000 0.875 451 K CB 1.556 34.042 32.500 -0.023 0.000 1.106 451 K HN 0.415 nan 8.250 nan 0.000 0.450 452 I N 3.480 123.914 120.570 -0.228 0.000 2.441 452 I HA 0.155 4.325 4.170 0.000 0.000 0.295 452 I C -0.789 175.219 176.117 -0.181 0.000 0.994 452 I CA -0.554 60.654 61.300 -0.152 0.000 1.144 452 I CB 1.681 39.601 38.000 -0.135 0.000 1.314 452 I HN 0.607 nan 8.210 nan 0.000 0.445 453 D N 8.828 129.159 120.400 -0.115 0.000 2.494 453 D HA 0.190 4.830 4.640 0.000 0.000 0.217 453 D C -0.375 175.876 176.300 -0.082 0.000 1.153 453 D CA -0.013 53.938 54.000 -0.081 0.000 0.954 453 D CB 0.485 41.266 40.800 -0.033 0.000 1.034 453 D HN 0.279 nan 8.370 nan 0.000 0.518 454 L N 1.649 122.788 121.223 -0.140 0.000 2.307 454 L HA 0.419 4.759 4.340 0.000 0.000 0.282 454 L C 0.378 177.253 176.870 0.008 0.000 1.051 454 L CA -0.177 54.549 54.840 -0.191 0.000 0.804 454 L CB 1.339 43.062 42.059 -0.561 0.000 1.197 454 L HN 0.363 nan 8.230 nan 0.000 0.431 455 E N 2.278 122.666 120.200 0.314 0.000 2.649 455 E HA 0.235 4.585 4.350 0.000 0.000 0.308 455 E C -1.915 174.942 176.600 0.427 0.000 1.017 455 E CA -0.361 56.335 56.400 0.493 0.000 0.848 455 E CB 2.199 32.049 29.700 0.250 0.000 1.240 455 E HN 0.510 nan 8.360 nan 0.000 0.421 456 T N 2.223 116.910 114.554 0.222 0.000 2.864 456 T HA 0.572 4.922 4.350 0.000 0.000 0.289 456 T C -1.294 173.437 174.700 0.052 0.000 1.082 456 T CA -0.423 61.620 62.100 -0.096 0.000 1.009 456 T CB 1.157 69.651 68.868 -0.623 0.000 1.234 456 T HN 0.596 nan 8.240 nan 0.000 0.526 457 H N -0.949 118.104 119.070 -0.028 0.000 2.960 457 H HA 0.739 5.295 4.556 0.000 0.000 0.338 457 H C -0.825 174.492 175.328 -0.017 0.000 1.261 457 H CA -0.810 55.279 56.048 0.068 0.000 1.136 457 H CB 1.067 30.857 29.762 0.047 0.000 1.875 457 H HN 0.669 nan 8.280 nan 0.000 0.550 458 S N 0.615 116.425 115.700 0.184 0.000 2.713 458 S HA 0.429 4.899 4.470 0.000 0.000 0.283 458 S C 0.172 174.797 174.600 0.041 0.000 1.161 458 S CA -1.052 57.164 58.200 0.028 0.000 0.999 458 S CB 0.998 64.233 63.200 0.058 0.000 1.039 458 S HN 0.512 nan 8.310 nan 0.000 0.548 459 L N 1.940 123.110 121.223 -0.088 0.000 2.499 459 L HA 0.230 4.570 4.340 0.000 0.000 0.273 459 L C -2.107 174.630 176.870 -0.221 0.000 1.195 459 L CA -1.563 53.178 54.840 -0.166 0.000 0.882 459 L CB -0.160 41.762 42.059 -0.228 0.000 1.133 459 L HN 0.508 nan 8.230 nan 0.000 0.483 460 P HA -0.123 nan 4.420 nan 0.000 0.264 460 P C -0.838 176.273 177.300 -0.316 0.000 1.156 460 P CA 0.420 63.301 63.100 -0.365 0.000 0.756 460 P CB 0.404 31.725 31.700 -0.631 0.000 0.764 461 V N 4.943 124.733 119.914 -0.207 0.000 2.680 461 V HA 0.284 4.404 4.120 0.000 0.000 0.309 461 V C 0.041 176.061 176.094 -0.123 0.000 1.052 461 V CA -0.685 61.520 62.300 -0.160 0.000 0.908 461 V CB 2.524 34.254 31.823 -0.154 0.000 1.001 461 V HN 0.148 nan 8.190 nan 0.000 0.431 462 V N 5.317 125.184 119.914 -0.079 0.000 2.394 462 V HA 0.416 4.536 4.120 0.000 0.000 0.282 462 V C -0.164 175.910 176.094 -0.033 0.000 1.031 462 V CA -0.408 61.872 62.300 -0.033 0.000 0.881 462 V CB 1.779 33.618 31.823 0.026 0.000 0.982 462 V HN 0.613 nan 8.190 nan 0.000 0.451 463 V N 6.807 126.706 119.914 -0.025 0.000 2.427 463 V HA 0.552 4.673 4.120 0.000 0.000 0.286 463 V C 0.033 176.147 176.094 0.033 0.000 1.034 463 V CA -0.469 61.774 62.300 -0.095 0.000 0.893 463 V CB 1.426 32.987 31.823 -0.437 0.000 0.982 463 V HN 0.802 nan 8.190 nan 0.000 0.452 464 I N 1.353 121.946 120.570 0.037 0.000 2.863 464 I HA 0.677 4.847 4.170 0.000 0.000 0.311 464 I C 0.632 176.804 176.117 0.092 0.000 1.026 464 I CA -0.317 61.024 61.300 0.067 0.000 1.077 464 I CB 2.244 40.260 38.000 0.028 0.000 1.262 464 I HN 0.438 nan 8.210 nan 0.000 0.461 465 S N 1.275 117.025 115.700 0.084 0.000 2.527 465 S HA 0.110 4.581 4.470 0.000 0.000 0.225 465 S C 0.553 175.181 174.600 0.047 0.000 1.046 465 S CA 0.071 58.317 58.200 0.077 0.000 0.929 465 S CB -0.203 63.039 63.200 0.071 0.000 0.851 465 S HN 0.793 nan 8.310 nan 0.000 0.565 466 N N 0.195 118.914 118.700 0.033 0.000 2.384 466 N HA 0.379 5.119 4.740 0.000 0.000 0.301 466 N C 0.077 175.588 175.510 0.002 0.000 1.133 466 N CA -0.279 52.782 53.050 0.018 0.000 0.853 466 N CB 1.285 39.781 38.487 0.015 0.000 1.241 466 N HN 0.069 nan 8.380 nan 0.000 0.502 467 I N 2.415 122.981 120.570 -0.006 0.000 3.164 467 I HA -0.201 3.969 4.170 0.000 0.000 0.278 467 I C 2.064 178.167 176.117 -0.024 0.000 1.320 467 I CA 0.582 61.866 61.300 -0.027 0.000 1.422 467 I CB -0.249 37.753 38.000 0.005 0.000 1.066 467 I HN 0.670 nan 8.210 nan 0.000 0.503 468 C N -0.976 118.315 119.300 -0.015 0.000 2.485 468 C HA 0.025 4.485 4.460 0.000 0.000 0.277 468 C C 2.198 177.176 174.990 -0.021 0.000 1.376 468 C CA 0.060 59.063 59.018 -0.024 0.000 1.759 468 C CB -0.956 26.772 27.740 -0.020 0.000 1.970 468 C HN 0.502 nan 8.230 nan 0.000 0.509 469 Q N 0.457 120.256 119.800 -0.001 0.000 2.444 469 Q HA 0.002 4.342 4.340 0.000 0.000 0.206 469 Q C 1.921 177.947 176.000 0.043 0.000 0.948 469 Q CA 0.671 56.488 55.803 0.023 0.000 0.946 469 Q CB -0.251 28.510 28.738 0.038 0.000 1.027 469 Q HN 0.740 nan 8.270 nan 0.000 0.513 470 M N 2.065 121.671 119.600 0.010 0.000 2.151 470 M HA -0.186 4.294 4.480 0.000 0.000 0.256 470 M C -1.173 175.207 176.300 0.133 0.000 1.072 470 M CA 2.269 57.580 55.300 0.018 0.000 1.090 470 M CB -0.980 31.592 32.600 -0.047 0.000 1.294 470 M HN -0.036 nan 8.290 nan 0.000 0.415 471 P HA -0.079 nan 4.420 nan 0.000 0.213 471 P C 0.747 178.301 177.300 0.425 0.000 1.170 471 P CA 1.634 64.846 63.100 0.187 0.000 0.893 471 P CB -0.446 31.098 31.700 -0.259 0.000 0.784 472 N N -0.287 118.537 118.700 0.207 0.000 2.322 472 N HA -0.180 4.560 4.740 0.000 0.000 0.189 472 N C 1.499 177.218 175.510 0.348 0.000 1.012 472 N CA 1.699 54.910 53.050 0.269 0.000 0.880 472 N CB -0.687 37.868 38.487 0.113 0.000 0.967 472 N HN 0.170 nan 8.380 nan 0.000 0.439 473 A N 0.777 123.786 122.820 0.314 0.000 1.881 473 A HA -0.040 4.281 4.320 0.000 0.000 0.210 473 A C 1.923 179.716 177.584 0.348 0.000 1.239 473 A CA 0.241 52.437 52.037 0.265 0.000 0.629 473 A CB -1.179 17.933 19.000 0.188 0.000 0.906 473 A HN 0.489 nan 8.150 nan 0.000 0.460 474 W N 1.271 122.714 121.300 0.237 0.000 2.321 474 W HA -0.293 4.367 4.660 0.000 0.000 0.285 474 W C 1.954 178.635 176.519 0.269 0.000 1.213 474 W CA 1.709 59.195 57.345 0.235 0.000 1.205 474 W CB 0.014 29.655 29.460 0.301 0.000 1.134 474 W HN 0.442 nan 8.180 nan 0.000 0.549 475 A N 0.289 123.351 122.820 0.403 0.000 1.855 475 A HA -0.190 4.130 4.320 0.000 0.000 0.215 475 A C 2.092 179.874 177.584 0.330 0.000 1.191 475 A CA 2.089 54.303 52.037 0.295 0.000 0.613 475 A CB -1.212 18.166 19.000 0.631 0.000 0.829 475 A HN 0.256 nan 8.150 nan 0.000 0.442 476 S N -0.076 115.808 115.700 0.307 0.000 2.359 476 S HA -0.161 4.309 4.470 0.000 0.000 0.224 476 S C 1.773 176.476 174.600 0.173 0.000 1.035 476 S CA 1.552 59.870 58.200 0.196 0.000 1.018 476 S CB -0.529 62.712 63.200 0.069 0.000 0.876 476 S HN 0.401 nan 8.310 nan 0.000 0.448 477 I N 1.950 122.505 120.570 -0.026 0.000 2.053 477 I HA -0.237 3.933 4.170 0.000 0.000 0.236 477 I C 2.207 178.132 176.117 -0.320 0.000 1.038 477 I CA 1.369 62.525 61.300 -0.240 0.000 1.304 477 I CB -1.024 36.735 38.000 -0.401 0.000 1.023 477 I HN 0.219 nan 8.210 nan 0.000 0.395 478 L N -1.064 119.850 121.223 -0.514 0.000 2.010 478 L HA -0.327 4.013 4.340 0.000 0.000 0.219 478 L C 2.498 179.237 176.870 -0.219 0.000 1.077 478 L CA 2.027 56.602 54.840 -0.442 0.000 0.773 478 L CB -0.907 40.824 42.059 -0.547 0.000 0.892 478 L HN 0.510 nan 8.230 nan 0.000 0.436 479 W N -0.392 120.775 121.300 -0.222 0.000 2.350 479 W HA -0.310 4.350 4.660 0.000 0.000 0.289 479 W C 2.622 179.000 176.519 -0.235 0.000 1.215 479 W CA 1.881 59.152 57.345 -0.123 0.000 1.236 479 W CB -0.267 29.217 29.460 0.040 0.000 1.130 479 W HN 0.246 nan 8.180 nan 0.000 0.541 480 Y N 1.871 121.863 120.300 -0.514 0.000 2.184 480 Y HA -0.197 4.353 4.550 0.000 0.000 0.290 480 Y C 2.375 177.872 175.900 -0.671 0.000 1.129 480 Y CA 2.353 59.771 58.100 -1.136 0.000 1.144 480 Y CB -0.936 36.852 38.460 -1.120 0.000 0.995 480 Y HN -0.183 nan 8.280 nan 0.000 0.513 481 N N 0.305 118.917 118.700 -0.147 0.000 2.039 481 N HA -0.248 4.492 4.740 0.000 0.000 0.193 481 N C 2.114 177.498 175.510 -0.210 0.000 1.044 481 N CA 1.777 54.747 53.050 -0.134 0.000 0.847 481 N CB -0.859 37.534 38.487 -0.157 0.000 1.030 481 N HN 0.451 nan 8.380 nan 0.000 0.422 482 M N 0.517 119.963 119.600 -0.257 0.000 2.255 482 M HA -0.181 4.299 4.480 0.000 0.000 0.259 482 M C 1.014 177.117 176.300 -0.328 0.000 1.071 482 M CA 1.399 56.527 55.300 -0.287 0.000 1.074 482 M CB 0.145 32.502 32.600 -0.405 0.000 1.384 482 M HN 0.078 nan 8.290 nan 0.000 0.415 483 L N -1.991 119.004 121.223 -0.380 0.000 2.714 483 L HA 0.182 4.522 4.340 0.000 0.000 0.184 483 L C 1.260 177.980 176.870 -0.250 0.000 1.317 483 L CA -0.109 54.539 54.840 -0.320 0.000 2.279 483 L CB -0.808 41.060 42.059 -0.318 0.000 2.140 483 L HN -0.059 nan 8.230 nan 0.000 1.029 484 T N 1.229 115.628 114.554 -0.258 0.000 2.940 484 T HA -0.000 4.350 4.350 0.000 0.000 0.309 484 T C 0.482 175.024 174.700 -0.263 0.000 1.056 484 T CA -0.070 61.873 62.100 -0.261 0.000 1.137 484 T CB 0.125 68.817 68.868 -0.293 0.000 0.976 484 T HN 0.520 nan 8.240 nan 0.000 0.547 485 N N 2.911 121.522 118.700 -0.148 0.000 2.235 485 N HA 0.075 4.815 4.740 0.000 0.000 0.209 485 N C 0.085 175.577 175.510 -0.031 0.000 1.122 485 N CA -0.451 52.547 53.050 -0.086 0.000 0.845 485 N CB -0.031 38.404 38.487 -0.085 0.000 1.004 485 N HN 0.356 nan 8.380 nan 0.000 0.499 486 N N 2.167 120.847 118.700 -0.033 0.000 2.475 486 N HA 0.067 4.807 4.740 0.000 0.000 0.267 486 N C -1.408 174.197 175.510 0.158 0.000 1.169 486 N CA -1.187 51.883 53.050 0.034 0.000 0.947 486 N CB 1.309 39.798 38.487 0.004 0.000 1.061 486 N HN 0.102 nan 8.380 nan 0.000 0.466 487 P HA -0.028 nan 4.420 nan 0.000 0.226 487 P C -0.480 176.951 177.300 0.219 0.000 1.161 487 P CA 0.974 64.174 63.100 0.166 0.000 0.804 487 P CB 0.209 31.993 31.700 0.140 0.000 0.829 488 K N 0.450 120.950 120.400 0.166 0.000 2.484 488 K HA 0.488 4.809 4.320 0.000 0.000 0.226 488 K C -0.736 175.896 176.600 0.054 0.000 1.031 488 K CA -0.686 55.614 56.287 0.023 0.000 1.026 488 K CB 0.049 32.498 32.500 -0.084 0.000 1.412 488 K HN -0.264 nan 8.250 nan 0.000 0.492 489 N N 2.655 121.419 118.700 0.107 0.000 3.029 489 N HA -0.043 4.697 4.740 0.000 0.000 0.198 489 N C 0.282 175.902 175.510 0.183 0.000 1.444 489 N CA -0.361 52.766 53.050 0.129 0.000 0.784 489 N CB 0.856 39.424 38.487 0.135 0.000 1.539 489 N HN 0.292 nan 8.380 nan 0.000 0.582 490 V N -0.809 119.143 119.914 0.064 0.000 2.407 490 V HA -0.074 4.046 4.120 0.000 0.000 0.248 490 V C 1.227 177.363 176.094 0.071 0.000 1.055 490 V CA 1.608 63.923 62.300 0.024 0.000 1.049 490 V CB -0.638 31.159 31.823 -0.043 0.000 0.662 490 V HN 0.680 nan 8.190 nan 0.000 0.455 491 N N 0.260 118.997 118.700 0.063 0.000 2.878 491 N HA 0.018 4.758 4.740 0.000 0.000 0.282 491 N C 0.841 176.368 175.510 0.028 0.000 1.284 491 N CA 0.044 53.126 53.050 0.053 0.000 1.053 491 N CB -0.101 38.402 38.487 0.027 0.000 1.382 491 N HN 0.605 nan 8.380 nan 0.000 0.529 492 F N 0.759 120.611 119.950 -0.163 0.000 2.234 492 F HA 0.122 4.649 4.527 0.000 0.000 0.296 492 F C 0.899 176.437 175.800 -0.436 0.000 1.089 492 F CA 0.770 58.548 58.000 -0.370 0.000 1.343 492 F CB 0.035 38.724 39.000 -0.519 0.000 1.040 492 F HN -0.053 nan 8.300 nan 0.000 0.498 493 F N 0.223 120.187 119.950 0.023 0.000 2.804 493 F HA 0.088 4.615 4.527 0.000 0.000 0.303 493 F C 2.095 177.841 175.800 -0.089 0.000 1.154 493 F CA 0.430 58.358 58.000 -0.120 0.000 1.401 493 F CB -1.410 37.551 39.000 -0.065 0.000 1.106 493 F HN -0.166 nan 8.300 nan 0.000 0.568 494 T N -0.517 114.050 114.554 0.022 0.000 3.051 494 T HA -0.124 4.226 4.350 0.000 0.000 0.269 494 T C 1.146 175.836 174.700 -0.016 0.000 1.127 494 T CA 1.151 63.261 62.100 0.017 0.000 1.107 494 T CB -0.161 68.702 68.868 -0.008 0.000 0.898 494 T HN 0.175 nan 8.240 nan 0.000 0.517 495 K N 0.724 121.076 120.400 -0.081 0.000 3.310 495 K HA 0.143 4.463 4.320 0.000 0.000 0.179 495 K C -3.107 173.389 176.600 -0.173 0.000 1.298 495 K CA -0.805 55.433 56.287 -0.081 0.000 0.711 495 K CB 0.621 33.073 32.500 -0.079 0.000 1.083 495 K HN -0.015 nan 8.250 nan 0.000 0.493 496 P HA -0.083 nan 4.420 nan 0.000 0.262 496 P C -2.496 174.799 177.300 -0.008 0.000 1.151 496 P CA -0.190 62.773 63.100 -0.229 0.000 0.757 496 P CB 0.034 31.746 31.700 0.021 0.000 0.754 497 P HA 0.184 nan 4.420 nan 0.000 0.277 497 P C -0.031 177.473 177.300 0.339 0.000 1.271 497 P CA -0.328 62.812 63.100 0.067 0.000 0.795 497 P CB 0.439 32.084 31.700 -0.092 0.000 1.101 498 I N -0.739 119.955 120.570 0.206 0.000 3.110 498 I HA 0.521 4.691 4.170 0.000 0.000 0.314 498 I C 1.009 177.205 176.117 0.131 0.000 1.020 498 I CA -0.292 61.172 61.300 0.273 0.000 1.169 498 I CB -0.092 38.001 38.000 0.156 0.000 1.437 498 I HN 0.463 nan 8.210 nan 0.000 0.595 499 G N 0.947 109.832 108.800 0.140 0.000 2.460 499 G HA2 0.349 4.309 3.960 0.000 0.000 0.299 499 G HA3 0.349 4.309 3.960 0.000 0.000 0.299 499 G C -0.192 174.725 174.900 0.028 0.000 1.592 499 G CA -0.470 44.591 45.100 -0.064 0.000 1.008 499 G HN 0.825 nan 8.290 nan 0.000 0.513 500 T N 0.229 114.797 114.554 0.024 0.000 2.872 500 T HA -0.177 4.173 4.350 0.000 0.000 0.292 500 T C 1.396 176.157 174.700 0.101 0.000 1.036 500 T CA 0.461 62.610 62.100 0.082 0.000 1.136 500 T CB 0.791 69.684 68.868 0.042 0.000 1.052 500 T HN 0.697 nan 8.240 nan 0.000 0.512 501 W N 3.953 125.263 121.300 0.016 0.000 2.290 501 W HA -0.309 4.351 4.660 0.000 0.000 0.323 501 W C 1.466 177.968 176.519 -0.028 0.000 1.260 501 W CA 1.947 59.301 57.345 0.015 0.000 1.266 501 W CB -0.515 28.978 29.460 0.054 0.000 1.149 501 W HN 0.862 nan 8.180 nan 0.000 0.482 502 D N -0.034 120.277 120.400 -0.147 0.000 2.303 502 D HA -0.347 4.293 4.640 0.000 0.000 0.190 502 D C 1.967 178.017 176.300 -0.416 0.000 1.011 502 D CA 3.006 56.840 54.000 -0.276 0.000 0.860 502 D CB -0.999 39.736 40.800 -0.109 0.000 0.961 502 D HN 0.500 nan 8.370 nan 0.000 0.453 503 Q N 0.497 120.096 119.800 -0.335 0.000 2.002 503 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 503 Q C 2.627 178.307 176.000 -0.533 0.000 0.988 503 Q CA 1.525 57.097 55.803 -0.385 0.000 0.843 503 Q CB -0.507 28.040 28.738 -0.318 0.000 0.908 503 Q HN 0.180 nan 8.270 nan 0.000 0.420 504 V N 1.779 121.379 119.914 -0.522 0.000 2.250 504 V HA -0.373 3.747 4.120 0.000 0.000 0.250 504 V C 2.463 178.091 176.094 -0.775 0.000 1.060 504 V CA 2.028 63.984 62.300 -0.573 0.000 1.030 504 V CB -1.440 30.160 31.823 -0.371 0.000 0.643 504 V HN 0.515 nan 8.190 nan 0.000 0.445 505 A N -0.152 121.970 122.820 -1.164 0.000 1.884 505 A HA -0.355 3.965 4.320 0.000 0.000 0.219 505 A C 2.336 179.520 177.584 -0.667 0.000 1.197 505 A CA 2.491 53.848 52.037 -1.132 0.000 0.637 505 A CB -0.696 17.582 19.000 -1.202 0.000 0.827 505 A HN 0.710 nan 8.150 nan 0.000 0.450 506 E N -0.135 119.654 120.200 -0.685 0.000 2.023 506 E HA -0.176 4.174 4.350 0.000 0.000 0.196 506 E C 1.941 177.816 176.600 -1.207 0.000 1.003 506 E CA 2.013 57.932 56.400 -0.802 0.000 0.809 506 E CB -0.335 28.900 29.700 -0.775 0.000 0.755 506 E HN 0.304 nan 8.360 nan 0.000 0.449 507 V N 1.475 120.682 119.914 -1.179 0.000 2.250 507 V HA -0.324 3.796 4.120 0.000 0.000 0.250 507 V C 2.668 178.513 176.094 -0.416 0.000 1.060 507 V CA 2.115 63.853 62.300 -0.937 0.000 1.030 507 V CB -0.727 30.762 31.823 -0.556 0.000 0.643 507 V HN 0.303 nan 8.190 nan 0.000 0.445 508 L N 0.247 121.272 121.223 -0.330 0.000 2.012 508 L HA -0.216 4.124 4.340 0.000 0.000 0.210 508 L C 2.778 179.742 176.870 0.157 0.000 1.073 508 L CA 2.120 56.929 54.840 -0.051 0.000 0.748 508 L CB -0.878 41.164 42.059 -0.028 0.000 0.891 508 L HN 0.421 nan 8.230 nan 0.000 0.431 509 S N -0.800 114.908 115.700 0.014 0.000 2.368 509 S HA -0.252 4.218 4.470 0.000 0.000 0.226 509 S C 1.884 176.711 174.600 0.378 0.000 1.044 509 S CA 1.648 59.959 58.200 0.185 0.000 1.062 509 S CB -0.456 62.736 63.200 -0.014 0.000 0.931 509 S HN 0.410 nan 8.310 nan 0.000 0.440 510 W N 2.048 123.437 121.300 0.147 0.000 2.290 510 W HA -0.152 4.508 4.660 0.000 0.000 0.323 510 W C 2.593 179.177 176.519 0.108 0.000 1.260 510 W CA 1.224 58.633 57.345 0.107 0.000 1.266 510 W CB -1.616 27.865 29.460 0.035 0.000 1.149 510 W HN 0.462 nan 8.180 nan 0.000 0.482 511 Q N -0.842 119.144 119.800 0.309 0.000 2.197 511 Q HA -0.217 4.123 4.340 0.000 0.000 0.211 511 Q C 2.068 177.986 176.000 -0.136 0.000 0.993 511 Q CA 1.878 57.712 55.803 0.052 0.000 0.883 511 Q CB -1.486 27.196 28.738 -0.094 0.000 0.916 511 Q HN 0.364 nan 8.270 nan 0.000 0.418 512 F N 1.179 121.219 119.950 0.151 0.000 2.118 512 F HA -0.114 4.413 4.527 0.000 0.000 0.293 512 F C 2.765 178.673 175.800 0.179 0.000 1.102 512 F CA 1.214 59.283 58.000 0.116 0.000 1.247 512 F CB -0.763 38.362 39.000 0.209 0.000 1.017 512 F HN 0.046 nan 8.300 nan 0.000 0.475 513 S N -0.624 115.331 115.700 0.424 0.000 2.400 513 S HA -0.192 4.278 4.470 0.000 0.000 0.232 513 S C 2.074 176.788 174.600 0.190 0.000 1.025 513 S CA 1.322 59.708 58.200 0.311 0.000 0.993 513 S CB -0.935 62.456 63.200 0.317 0.000 0.808 513 S HN 0.254 nan 8.310 nan 0.000 0.478 514 S N 2.275 118.066 115.700 0.152 0.000 2.380 514 S HA -0.119 4.351 4.470 0.000 0.000 0.217 514 S C 2.279 176.904 174.600 0.040 0.000 1.036 514 S CA 1.912 60.152 58.200 0.066 0.000 1.050 514 S CB -1.109 62.123 63.200 0.052 0.000 1.016 514 S HN 0.773 nan 8.310 nan 0.000 0.419 515 T N 2.338 116.899 114.554 0.012 0.000 2.639 515 T HA -0.043 4.307 4.350 0.000 0.000 0.261 515 T C 1.514 176.236 174.700 0.036 0.000 1.053 515 T CA 1.506 63.596 62.100 -0.017 0.000 1.158 515 T CB -1.014 67.802 68.868 -0.088 0.000 0.863 515 T HN 0.704 nan 8.240 nan 0.000 0.413 516 T N 1.218 115.822 114.554 0.084 0.000 2.753 516 T HA 0.308 4.658 4.350 0.000 0.000 0.309 516 T C 0.382 175.223 174.700 0.235 0.000 1.043 516 T CA -0.665 61.551 62.100 0.192 0.000 0.964 516 T CB 0.391 69.466 68.868 0.346 0.000 1.206 516 T HN 0.097 nan 8.240 nan 0.000 0.528 517 K N -0.569 120.005 120.400 0.289 0.000 2.437 517 K HA 0.401 4.721 4.320 0.000 0.000 0.205 517 K C 0.379 177.129 176.600 0.250 0.000 1.026 517 K CA -0.202 56.211 56.287 0.210 0.000 1.153 517 K CB 0.085 32.670 32.500 0.141 0.000 0.863 517 K HN 0.556 nan 8.250 nan 0.000 0.502 518 R N -0.558 120.195 120.500 0.421 0.000 2.629 518 R HA 0.490 4.830 4.340 0.000 0.000 0.266 518 R C -0.569 176.113 176.300 0.636 0.000 1.051 518 R CA -0.618 55.736 56.100 0.424 0.000 0.895 518 R CB 1.228 31.663 30.300 0.226 0.000 1.246 518 R HN 0.224 nan 8.270 nan 0.000 0.459 519 G N 2.510 111.582 108.800 0.453 0.000 3.271 519 G HA2 0.462 4.422 3.960 0.000 0.000 0.174 519 G HA3 0.462 4.422 3.960 0.000 0.000 0.174 519 G C -0.923 174.157 174.900 0.299 0.000 1.385 519 G CA -0.666 44.718 45.100 0.475 0.000 0.979 519 G HN 0.342 nan 8.290 nan 0.000 0.610 520 L N 1.454 122.772 121.223 0.159 0.000 2.356 520 L HA 0.387 4.727 4.340 0.000 0.000 0.277 520 L C 0.528 177.452 176.870 0.090 0.000 0.996 520 L CA -0.765 54.129 54.840 0.090 0.000 0.822 520 L CB 2.054 44.137 42.059 0.040 0.000 1.256 520 L HN 0.618 nan 8.230 nan 0.000 0.413 521 S N 2.670 118.416 115.700 0.078 0.000 2.580 521 S HA 0.155 4.625 4.470 0.000 0.000 0.266 521 S C 1.400 176.054 174.600 0.090 0.000 1.354 521 S CA -0.791 57.448 58.200 0.065 0.000 1.008 521 S CB 0.770 63.993 63.200 0.040 0.000 0.898 521 S HN 0.540 nan 8.310 nan 0.000 0.555 522 I N -0.811 119.809 120.570 0.082 0.000 2.916 522 I HA -0.038 4.132 4.170 0.000 0.000 0.267 522 I C 2.000 178.194 176.117 0.128 0.000 1.263 522 I CA 1.357 62.722 61.300 0.108 0.000 1.471 522 I CB -2.215 35.839 38.000 0.089 0.000 1.089 522 I HN 0.861 nan 8.210 nan 0.000 0.468 523 E N 3.248 123.511 120.200 0.104 0.000 2.005 523 E HA -0.244 4.106 4.350 0.000 0.000 0.191 523 E C 2.161 178.854 176.600 0.154 0.000 0.987 523 E CA 1.937 58.400 56.400 0.104 0.000 0.814 523 E CB -0.808 28.929 29.700 0.061 0.000 0.772 523 E HN 0.653 nan 8.360 nan 0.000 0.453 524 Q N -0.029 119.879 119.800 0.179 0.000 2.297 524 Q HA -0.139 4.202 4.340 0.000 0.000 0.208 524 Q C 2.129 178.281 176.000 0.254 0.000 0.981 524 Q CA 1.320 57.297 55.803 0.291 0.000 0.876 524 Q CB -0.406 28.560 28.738 0.380 0.000 0.921 524 Q HN 0.317 nan 8.270 nan 0.000 0.446 525 L N 1.098 122.450 121.223 0.216 0.000 2.376 525 L HA -0.022 4.318 4.340 0.000 0.000 0.219 525 L C 1.726 178.807 176.870 0.351 0.000 1.133 525 L CA 1.445 56.448 54.840 0.272 0.000 0.816 525 L CB -0.053 42.146 42.059 0.233 0.000 0.933 525 L HN 0.177 nan 8.230 nan 0.000 0.449 526 T N -2.457 112.247 114.554 0.251 0.000 2.983 526 T HA -0.074 4.276 4.350 0.000 0.000 0.250 526 T C 1.673 176.445 174.700 0.119 0.000 1.037 526 T CA 1.235 63.468 62.100 0.222 0.000 1.142 526 T CB -0.189 68.808 68.868 0.215 0.000 0.876 526 T HN 0.471 nan 8.240 nan 0.000 0.455 527 T N 0.803 115.444 114.554 0.145 0.000 3.051 527 T HA 0.048 4.398 4.350 0.000 0.000 0.269 527 T C 1.649 176.400 174.700 0.085 0.000 1.127 527 T CA 0.532 62.711 62.100 0.131 0.000 1.107 527 T CB -0.269 68.724 68.868 0.209 0.000 0.898 527 T HN 0.128 nan 8.240 nan 0.000 0.517 528 L N 0.153 121.407 121.223 0.051 0.000 2.515 528 L HA 0.636 4.976 4.340 0.000 0.000 0.223 528 L C 2.494 179.187 176.870 -0.294 0.000 1.079 528 L CA 0.786 55.621 54.840 -0.007 0.000 0.857 528 L CB -0.616 41.440 42.059 -0.006 0.000 1.050 528 L HN 0.244 nan 8.230 nan 0.000 0.476 529 A N -0.757 121.751 122.820 -0.521 0.000 1.970 529 A HA -0.140 4.180 4.320 0.000 0.000 0.216 529 A C 2.231 178.947 177.584 -1.447 0.000 1.170 529 A CA 1.428 52.553 52.037 -1.520 0.000 0.645 529 A CB -0.345 17.901 19.000 -1.256 0.000 0.816 529 A HN 0.540 nan 8.150 nan 0.000 0.447 530 E N -0.482 119.164 120.200 -0.924 0.000 2.190 530 E HA -0.057 4.293 4.350 0.000 0.000 0.191 530 E C 1.615 177.933 176.600 -0.470 0.000 0.978 530 E CA 0.380 56.369 56.400 -0.685 0.000 0.839 530 E CB -0.011 29.551 29.700 -0.229 0.000 0.787 530 E HN 0.196 nan 8.360 nan 0.000 0.473 531 K N 0.642 120.811 120.400 -0.385 0.000 2.585 531 K HA -0.080 4.240 4.320 0.000 0.000 0.194 531 K C 1.499 177.783 176.600 -0.526 0.000 1.037 531 K CA 0.488 56.591 56.287 -0.307 0.000 0.964 531 K CB 0.107 32.552 32.500 -0.091 0.000 0.787 531 K HN 0.340 nan 8.250 nan 0.000 0.488 532 L N -1.398 119.413 121.223 -0.686 0.000 2.691 532 L HA 0.139 4.479 4.340 0.000 0.000 0.185 532 L C 1.393 177.967 176.870 -0.492 0.000 1.081 532 L CA 0.095 54.487 54.840 -0.746 0.000 0.865 532 L CB 0.098 41.569 42.059 -0.980 0.000 1.370 532 L HN -0.056 nan 8.230 nan 0.000 0.488 533 L N 0.619 121.500 121.223 -0.569 0.000 2.558 533 L HA 0.281 4.621 4.340 0.000 0.000 0.225 533 L C 1.217 177.908 176.870 -0.298 0.000 1.128 533 L CA 0.563 55.160 54.840 -0.404 0.000 0.868 533 L CB -0.489 41.279 42.059 -0.484 0.000 1.006 533 L HN 0.596 nan 8.230 nan 0.000 0.454 534 G N 0.861 109.463 108.800 -0.329 0.000 2.512 534 G HA2 -0.231 3.729 3.960 0.000 0.000 0.240 534 G HA3 -0.231 3.729 3.960 0.000 0.000 0.240 534 G C -2.621 172.227 174.900 -0.087 0.000 1.246 534 G CA -0.435 44.553 45.100 -0.188 0.000 0.919 534 G HN 0.102 nan 8.290 nan 0.000 0.577 535 P HA 0.549 nan 4.420 nan 0.000 0.280 535 P C 0.273 177.643 177.300 0.116 0.000 1.244 535 P CA 1.207 64.343 63.100 0.060 0.000 0.784 535 P CB 1.232 32.939 31.700 0.011 0.000 0.913 536 G N 0.964 109.844 108.800 0.135 0.000 2.340 536 G HA2 0.304 4.264 3.960 0.000 0.000 0.300 536 G HA3 0.304 4.264 3.960 0.000 0.000 0.300 536 G C -1.981 172.757 174.900 -0.271 0.000 1.488 536 G CA -0.565 44.550 45.100 0.024 0.000 0.878 536 G HN 0.378 nan 8.290 nan 0.000 0.618 537 V N 0.877 120.610 119.914 -0.302 0.000 2.547 537 V HA 0.665 4.785 4.120 0.000 0.000 0.299 537 V C 0.607 176.427 176.094 -0.456 0.000 1.040 537 V CA 0.256 62.318 62.300 -0.397 0.000 0.913 537 V CB 1.448 33.154 31.823 -0.194 0.000 0.992 537 V HN 1.771 nan 8.190 nan 0.000 0.449 538 N N 3.322 121.728 118.700 -0.491 0.000 2.482 538 N HA -0.241 4.499 4.740 0.000 0.000 0.288 538 N C -1.296 174.077 175.510 -0.230 0.000 1.319 538 N CA 0.458 53.337 53.050 -0.285 0.000 0.671 538 N CB -1.000 37.412 38.487 -0.124 0.000 0.911 538 N HN 0.562 nan 8.380 nan 0.000 0.531 539 Y N 2.313 122.634 120.300 0.035 0.000 2.714 539 Y HA 0.372 4.922 4.550 0.000 0.000 0.333 539 Y C 1.412 177.439 175.900 0.212 0.000 1.220 539 Y CA -0.366 57.758 58.100 0.040 0.000 1.513 539 Y CB 0.467 38.822 38.460 -0.174 0.000 1.435 539 Y HN 0.429 nan 8.280 nan 0.000 0.489 540 S N 0.680 116.530 115.700 0.250 0.000 3.393 540 S HA 0.105 4.575 4.470 0.000 0.000 0.209 540 S C 2.032 176.728 174.600 0.160 0.000 0.897 540 S CA 0.331 58.654 58.200 0.205 0.000 0.825 540 S CB -0.261 63.007 63.200 0.113 0.000 0.898 540 S HN 0.705 nan 8.310 nan 0.000 0.615 541 G N 1.129 109.993 108.800 0.107 0.000 2.776 541 G HA2 -0.037 3.923 3.960 0.000 0.000 0.209 541 G HA3 -0.037 3.923 3.960 0.000 0.000 0.209 541 G C 0.340 175.303 174.900 0.104 0.000 1.145 541 G CA 0.040 45.190 45.100 0.083 0.000 0.791 541 G HN 0.534 nan 8.290 nan 0.000 0.530 542 C N 2.338 121.729 119.300 0.151 0.000 2.793 542 C HA 0.121 4.581 4.460 0.000 0.000 0.388 542 C C 1.000 176.088 174.990 0.163 0.000 1.254 542 C CA -0.839 58.274 59.018 0.158 0.000 1.326 542 C CB -1.950 25.912 27.740 0.202 0.000 2.065 542 C HN 0.492 nan 8.230 nan 0.000 0.597 543 Q N 1.816 121.692 119.800 0.126 0.000 2.263 543 Q HA 0.245 4.585 4.340 0.000 0.000 0.289 543 Q C -0.378 175.723 176.000 0.168 0.000 1.061 543 Q CA 0.579 56.463 55.803 0.135 0.000 0.927 543 Q CB 0.510 29.311 28.738 0.105 0.000 1.154 543 Q HN 0.624 nan 8.270 nan 0.000 0.378 544 I N 1.935 122.648 120.570 0.237 0.000 2.433 544 I HA 0.199 4.369 4.170 0.000 0.000 0.292 544 I C 0.460 176.819 176.117 0.404 0.000 1.001 544 I CA -0.431 61.051 61.300 0.303 0.000 1.119 544 I CB 1.946 40.187 38.000 0.401 0.000 1.289 544 I HN 0.571 nan 8.210 nan 0.000 0.438 545 T N 1.166 115.900 114.554 0.300 0.000 2.881 545 T HA 0.114 4.465 4.350 0.000 0.000 0.278 545 T C 0.954 175.741 174.700 0.146 0.000 0.982 545 T CA -0.509 61.764 62.100 0.289 0.000 0.989 545 T CB 1.106 70.071 68.868 0.162 0.000 1.058 545 T HN 0.793 nan 8.240 nan 0.000 0.529 546 W N 1.030 122.154 121.300 -0.293 0.000 2.335 546 W HA -0.156 4.504 4.660 0.000 0.000 0.311 546 W C 2.054 178.374 176.519 -0.332 0.000 1.213 546 W CA 1.289 58.128 57.345 -0.843 0.000 1.274 546 W CB -0.750 28.293 29.460 -0.694 0.000 1.148 546 W HN 0.906 nan 8.180 nan 0.000 0.498 547 A N 1.411 124.054 122.820 -0.294 0.000 1.852 547 A HA -0.362 3.958 4.320 0.000 0.000 0.217 547 A C 1.860 179.272 177.584 -0.287 0.000 1.215 547 A CA 3.002 54.826 52.037 -0.356 0.000 0.641 547 A CB -1.457 17.466 19.000 -0.129 0.000 0.838 547 A HN 0.325 nan 8.150 nan 0.000 0.450 548 K N -1.143 119.198 120.400 -0.099 0.000 2.049 548 K HA -0.257 4.063 4.320 0.000 0.000 0.219 548 K C 1.632 178.271 176.600 0.066 0.000 1.056 548 K CA 2.296 58.581 56.287 -0.002 0.000 0.946 548 K CB -0.820 31.732 32.500 0.086 0.000 0.723 548 K HN 0.398 nan 8.250 nan 0.000 0.453 549 F N 0.306 120.232 119.950 -0.041 0.000 2.045 549 F HA -0.342 4.185 4.527 0.000 0.000 0.297 549 F C 2.261 178.102 175.800 0.069 0.000 1.114 549 F CA 2.136 60.199 58.000 0.104 0.000 1.207 549 F CB -0.651 38.361 39.000 0.020 0.000 0.964 549 F HN 0.449 nan 8.300 nan 0.000 0.486 550 C N -3.486 115.470 119.300 -0.573 0.000 4.498 550 C HA 0.303 4.763 4.460 0.000 0.000 0.505 550 C C 2.051 176.772 174.990 -0.449 0.000 1.553 550 C CA 0.004 58.706 59.018 -0.527 0.000 2.306 550 C CB -0.755 26.630 27.740 -0.592 0.000 3.422 550 C HN 0.395 nan 8.230 nan 0.000 0.612 551 K N 1.244 121.248 120.400 -0.660 0.000 2.442 551 K HA 0.038 4.358 4.320 0.000 0.000 0.198 551 K C -0.146 176.294 176.600 -0.267 0.000 1.044 551 K CA 1.172 57.161 56.287 -0.496 0.000 0.948 551 K CB 0.103 32.220 32.500 -0.639 0.000 0.762 551 K HN 0.562 nan 8.250 nan 0.000 0.472 552 E N -0.002 120.065 120.200 -0.221 0.000 2.256 552 E HA 0.258 4.608 4.350 0.000 0.000 0.267 552 E C -1.318 175.223 176.600 -0.098 0.000 0.892 552 E CA -0.597 55.722 56.400 -0.134 0.000 0.775 552 E CB 1.505 31.136 29.700 -0.114 0.000 1.207 552 E HN 0.117 nan 8.360 nan 0.000 0.420 553 N N 2.213 120.857 118.700 -0.093 0.000 2.530 553 N HA 0.230 4.970 4.740 0.000 0.000 0.277 553 N C -0.187 175.235 175.510 -0.148 0.000 1.168 553 N CA -0.341 52.645 53.050 -0.105 0.000 0.979 553 N CB 0.663 39.086 38.487 -0.107 0.000 1.141 553 N HN 0.307 nan 8.380 nan 0.000 0.459 554 M N 1.929 121.400 119.600 -0.215 0.000 2.252 554 M HA -0.036 4.444 4.480 0.000 0.000 0.333 554 M C 1.575 177.724 176.300 -0.252 0.000 1.111 554 M CA -0.046 55.099 55.300 -0.258 0.000 1.140 554 M CB 0.631 33.004 32.600 -0.379 0.000 1.538 554 M HN 0.758 nan 8.290 nan 0.000 0.448 555 A N 3.649 126.341 122.820 -0.213 0.000 2.428 555 A HA -0.265 4.055 4.320 0.000 0.000 0.232 555 A C 1.878 179.352 177.584 -0.182 0.000 1.624 555 A CA 2.757 54.688 52.037 -0.177 0.000 0.985 555 A CB -1.902 16.998 19.000 -0.168 0.000 0.733 555 A HN 1.055 nan 8.150 nan 0.000 0.525 556 G N -0.740 107.942 108.800 -0.197 0.000 2.404 556 G HA2 0.071 4.031 3.960 0.000 0.000 0.214 556 G HA3 0.071 4.031 3.960 0.000 0.000 0.214 556 G C 0.778 175.537 174.900 -0.234 0.000 1.189 556 G CA 1.019 46.009 45.100 -0.183 0.000 0.789 556 G HN 0.616 nan 8.290 nan 0.000 0.533 557 K N 0.064 120.251 120.400 -0.355 0.000 2.584 557 K HA 0.201 4.521 4.320 0.000 0.000 0.277 557 K C 1.282 177.613 176.600 -0.448 0.000 0.960 557 K CA 0.787 56.742 56.287 -0.552 0.000 0.975 557 K CB 0.187 32.062 32.500 -1.042 0.000 0.885 557 K HN 0.133 nan 8.250 nan 0.000 0.515 558 G N 0.865 109.432 108.800 -0.387 0.000 3.523 558 G HA2 0.348 4.308 3.960 0.000 0.000 0.270 558 G HA3 0.348 4.308 3.960 0.000 0.000 0.270 558 G C -0.533 174.423 174.900 0.092 0.000 1.134 558 G CA -0.176 44.880 45.100 -0.073 0.000 0.825 558 G HN 0.433 nan 8.290 nan 0.000 0.534 559 F N -1.248 118.670 119.950 -0.052 0.000 3.049 559 F HA 0.785 5.312 4.527 0.000 0.000 0.329 559 F C 0.105 175.889 175.800 -0.027 0.000 1.208 559 F CA -1.476 56.503 58.000 -0.035 0.000 0.956 559 F CB 0.701 39.696 39.000 -0.009 0.000 1.469 559 F HN -0.035 nan 8.300 nan 0.000 0.516 560 S N 0.197 116.044 115.700 0.245 0.000 2.745 560 S HA 0.457 4.928 4.470 0.000 0.000 0.292 560 S C 0.374 175.166 174.600 0.320 0.000 1.133 560 S CA -0.397 57.885 58.200 0.136 0.000 0.998 560 S CB 1.238 64.455 63.200 0.029 0.000 1.087 560 S HN 0.692 nan 8.310 nan 0.000 0.551 561 F N 0.955 120.952 119.950 0.078 0.000 2.014 561 F HA 0.008 4.535 4.527 0.000 0.000 0.295 561 F C 2.052 178.056 175.800 0.339 0.000 1.145 561 F CA 1.143 59.278 58.000 0.224 0.000 1.178 561 F CB -1.119 37.969 39.000 0.147 0.000 0.972 561 F HN 0.880 nan 8.300 nan 0.000 0.476 562 W N 1.099 122.178 121.300 -0.369 0.000 2.311 562 W HA -0.276 4.384 4.660 0.000 0.000 0.326 562 W C 2.179 178.594 176.519 -0.174 0.000 1.239 562 W CA 2.094 59.108 57.345 -0.551 0.000 1.258 562 W CB -0.653 28.237 29.460 -0.950 0.000 1.165 562 W HN -0.098 nan 8.180 nan 0.000 0.466 563 V N 0.797 120.511 119.914 -0.334 0.000 2.277 563 V HA -0.388 3.732 4.120 0.000 0.000 0.255 563 V C 1.865 177.810 176.094 -0.249 0.000 1.074 563 V CA 2.758 64.805 62.300 -0.422 0.000 1.058 563 V CB -1.528 30.211 31.823 -0.140 0.000 0.656 563 V HN 0.628 nan 8.190 nan 0.000 0.449 564 W N 0.279 121.537 121.300 -0.070 0.000 2.354 564 W HA -0.195 4.465 4.660 0.000 0.000 0.315 564 W C 2.155 178.645 176.519 -0.049 0.000 1.206 564 W CA 1.817 59.171 57.345 0.015 0.000 1.290 564 W CB -0.702 29.042 29.460 0.473 0.000 1.152 564 W HN 0.224 nan 8.180 nan 0.000 0.489 565 L N 1.457 122.551 121.223 -0.215 0.000 2.131 565 L HA -0.179 4.161 4.340 0.000 0.000 0.210 565 L C 2.187 178.861 176.870 -0.327 0.000 1.092 565 L CA 2.561 57.181 54.840 -0.366 0.000 0.759 565 L CB -1.407 40.635 42.059 -0.029 0.000 0.903 565 L HN 0.101 nan 8.230 nan 0.000 0.435 566 D N -0.614 119.420 120.400 -0.609 0.000 2.158 566 D HA -0.229 4.411 4.640 0.000 0.000 0.197 566 D C 1.548 177.606 176.300 -0.403 0.000 0.995 566 D CA 1.248 54.829 54.000 -0.699 0.000 0.846 566 D CB 0.056 40.127 40.800 -1.215 0.000 0.941 566 D HN 0.509 nan 8.370 nan 0.000 0.456 567 N N 0.227 118.683 118.700 -0.407 0.000 2.376 567 N HA -0.066 4.674 4.740 0.000 0.000 0.177 567 N C 1.913 177.211 175.510 -0.352 0.000 1.024 567 N CA 0.248 53.108 53.050 -0.316 0.000 0.893 567 N CB 0.197 38.512 38.487 -0.287 0.000 0.980 567 N HN 0.305 nan 8.380 nan 0.000 0.439 568 I N 1.411 121.682 120.570 -0.498 0.000 2.493 568 I HA -0.129 4.041 4.170 0.000 0.000 0.254 568 I C 2.166 177.995 176.117 -0.480 0.000 1.160 568 I CA 0.687 61.562 61.300 -0.708 0.000 1.445 568 I CB -0.773 36.703 38.000 -0.873 0.000 1.086 568 I HN 0.051 nan 8.210 nan 0.000 0.433 569 I N 1.002 121.374 120.570 -0.329 0.000 2.272 569 I HA -0.216 3.954 4.170 0.000 0.000 0.235 569 I C 2.329 178.281 176.117 -0.275 0.000 1.071 569 I CA 1.444 62.538 61.300 -0.342 0.000 1.374 569 I CB -1.063 36.743 38.000 -0.322 0.000 1.121 569 I HN 0.164 nan 8.210 nan 0.000 0.420 570 D N 1.061 121.328 120.400 -0.220 0.000 2.239 570 D HA -0.223 4.417 4.640 0.000 0.000 0.202 570 D C 2.160 178.419 176.300 -0.068 0.000 0.993 570 D CA 0.941 54.850 54.000 -0.153 0.000 0.874 570 D CB 0.113 40.840 40.800 -0.122 0.000 0.922 570 D HN 0.096 nan 8.370 nan 0.000 0.464 571 L N 0.215 121.396 121.223 -0.070 0.000 1.973 571 L HA -0.124 4.216 4.340 0.000 0.000 0.208 571 L C 2.377 179.277 176.870 0.049 0.000 1.073 571 L CA 1.346 56.226 54.840 0.067 0.000 0.746 571 L CB -1.161 40.846 42.059 -0.086 0.000 0.891 571 L HN 0.072 nan 8.230 nan 0.000 0.433 572 V N 0.766 120.637 119.914 -0.071 0.000 2.278 572 V HA -0.360 3.760 4.120 0.000 0.000 0.251 572 V C 2.694 178.709 176.094 -0.131 0.000 1.062 572 V CA 2.323 64.561 62.300 -0.102 0.000 1.038 572 V CB -0.875 30.759 31.823 -0.316 0.000 0.646 572 V HN 0.503 nan 8.190 nan 0.000 0.447 573 K N 0.221 120.513 120.400 -0.180 0.000 1.964 573 K HA -0.220 4.100 4.320 0.000 0.000 0.218 573 K C 2.304 178.806 176.600 -0.163 0.000 1.043 573 K CA 1.851 58.036 56.287 -0.170 0.000 0.966 573 K CB -0.253 32.129 32.500 -0.196 0.000 0.739 573 K HN 0.336 nan 8.250 nan 0.000 0.443 574 K N -0.526 119.728 120.400 -0.244 0.000 1.971 574 K HA -0.157 4.163 4.320 0.000 0.000 0.221 574 K C 0.344 176.677 176.600 -0.445 0.000 1.050 574 K CA 1.655 57.659 56.287 -0.472 0.000 0.967 574 K CB -0.315 31.662 32.500 -0.871 0.000 0.733 574 K HN 0.180 nan 8.250 nan 0.000 0.445 575 Y N -0.232 120.050 120.300 -0.029 0.000 2.330 575 Y HA 0.312 4.862 4.550 0.000 0.000 0.336 575 Y C -0.046 175.858 175.900 0.007 0.000 1.036 575 Y CA -1.224 56.876 58.100 0.000 0.000 1.125 575 Y CB 0.596 39.052 38.460 -0.008 0.000 1.194 575 Y HN 0.037 nan 8.280 nan 0.000 0.469 576 I N 1.722 122.402 120.570 0.184 0.000 6.251 576 I HA -0.276 3.894 4.170 0.000 0.000 0.126 576 I C 0.184 176.403 176.117 0.169 0.000 1.823 576 I CA 0.118 61.515 61.300 0.162 0.000 2.038 576 I CB -1.458 36.600 38.000 0.097 0.000 3.460 576 I HN 0.648 nan 8.210 nan 0.000 0.169 577 L N 2.260 123.570 121.223 0.146 0.000 2.327 577 L HA 0.460 4.800 4.340 0.000 0.000 0.192 577 L C 2.344 179.346 176.870 0.220 0.000 1.158 577 L CA 2.058 56.978 54.840 0.133 0.000 0.813 577 L CB -0.586 41.509 42.059 0.061 0.000 1.021 577 L HN 0.384 nan 8.230 nan 0.000 0.481 578 A N -0.887 122.054 122.820 0.202 0.000 2.209 578 A HA -0.013 4.307 4.320 0.000 0.000 0.212 578 A C 1.906 179.615 177.584 0.208 0.000 1.158 578 A CA 1.122 53.297 52.037 0.230 0.000 0.742 578 A CB -0.729 18.431 19.000 0.267 0.000 0.790 578 A HN 0.473 nan 8.150 nan 0.000 0.472 579 L N -1.748 119.576 121.223 0.168 0.000 2.209 579 L HA -0.034 4.306 4.340 0.000 0.000 0.207 579 L C 2.243 179.170 176.870 0.094 0.000 1.094 579 L CA 0.898 55.758 54.840 0.033 0.000 0.790 579 L CB -0.518 41.612 42.059 0.118 0.000 0.932 579 L HN 0.849 nan 8.230 nan 0.000 0.447 580 W N 0.542 121.841 121.300 -0.002 0.000 3.197 580 W HA 0.038 4.698 4.660 0.000 0.000 0.274 580 W C 1.685 178.177 176.519 -0.045 0.000 1.297 580 W CA 0.219 57.576 57.345 0.019 0.000 1.662 580 W CB -0.420 29.109 29.460 0.115 0.000 1.106 580 W HN 0.291 nan 8.180 nan 0.000 0.663 581 N N 1.974 120.733 118.700 0.098 0.000 2.058 581 N HA -0.313 4.427 4.740 0.000 0.000 0.200 581 N C 0.358 175.712 175.510 -0.260 0.000 1.033 581 N CA 3.324 56.364 53.050 -0.017 0.000 0.880 581 N CB -0.364 38.120 38.487 -0.004 0.000 1.069 581 N HN 0.044 nan 8.380 nan 0.000 0.461 582 E N -0.236 119.681 120.200 -0.471 0.000 2.354 582 E HA 0.346 4.696 4.350 0.000 0.000 0.252 582 E C 0.983 177.346 176.600 -0.396 0.000 1.330 582 E CA 0.264 56.390 56.400 -0.457 0.000 1.658 582 E CB -0.164 29.200 29.700 -0.561 0.000 1.460 582 E HN 0.483 nan 8.360 nan 0.000 0.435 583 G N 1.197 109.721 108.800 -0.460 0.000 3.879 583 G HA2 -0.504 3.456 3.960 0.000 0.000 0.318 583 G HA3 -0.504 3.456 3.960 0.000 0.000 0.318 583 G C 0.943 175.736 174.900 -0.178 0.000 1.344 583 G CA 0.378 45.237 45.100 -0.402 0.000 1.024 583 G HN 0.502 nan 8.290 nan 0.000 0.681 584 Y N -1.269 118.922 120.300 -0.181 0.000 3.637 584 Y HA -0.303 4.247 4.550 0.000 0.000 0.424 584 Y C 1.070 176.958 175.900 -0.019 0.000 1.044 584 Y CA 1.054 59.096 58.100 -0.098 0.000 2.597 584 Y CB -0.866 37.506 38.460 -0.147 0.000 0.881 584 Y HN 0.444 nan 8.280 nan 0.000 0.528 585 I N 1.320 121.940 120.570 0.082 0.000 2.328 585 I HA 0.049 4.219 4.170 0.000 0.000 0.287 585 I C 0.960 177.049 176.117 -0.047 0.000 1.012 585 I CA -0.191 61.132 61.300 0.039 0.000 1.195 585 I CB 1.177 39.263 38.000 0.143 0.000 1.350 585 I HN 0.260 nan 8.210 nan 0.000 0.464 586 M N 3.243 122.819 119.600 -0.040 0.000 2.394 586 M HA -0.035 4.445 4.480 0.000 0.000 0.264 586 M C 1.915 178.178 176.300 -0.061 0.000 1.073 586 M CA 1.080 56.357 55.300 -0.038 0.000 1.111 586 M CB -0.336 32.255 32.600 -0.015 0.000 1.401 586 M HN 0.909 nan 8.290 nan 0.000 0.448 587 G N 1.263 109.908 108.800 -0.258 0.000 3.947 587 G HA2 -0.337 3.623 3.960 0.000 0.000 0.365 587 G HA3 -0.337 3.623 3.960 0.000 0.000 0.365 587 G C 0.094 174.756 174.900 -0.395 0.000 1.532 587 G CA 0.782 45.518 45.100 -0.606 0.000 1.426 587 G HN 0.434 nan 8.290 nan 0.000 0.794 588 F N 1.186 121.287 119.950 0.252 0.000 2.391 588 F HA 0.789 5.316 4.527 0.000 0.000 0.359 588 F C 0.525 176.431 175.800 0.176 0.000 1.122 588 F CA -0.466 57.704 58.000 0.283 0.000 1.120 588 F CB 1.526 40.721 39.000 0.326 0.000 1.142 588 F HN 0.408 nan 8.300 nan 0.000 0.483 589 I N 1.981 122.728 120.570 0.295 0.000 2.690 589 I HA 0.214 4.384 4.170 0.000 0.000 0.286 589 I C -0.740 175.475 176.117 0.164 0.000 1.313 589 I CA -0.252 61.158 61.300 0.184 0.000 1.070 589 I CB 1.175 39.238 38.000 0.106 0.000 1.323 589 I HN 0.379 nan 8.210 nan 0.000 0.432 590 S N 6.887 122.669 115.700 0.137 0.000 2.784 590 S HA -0.017 4.453 4.470 0.000 0.000 0.322 590 S C 1.253 175.903 174.600 0.083 0.000 1.234 590 S CA -0.015 58.245 58.200 0.100 0.000 1.064 590 S CB 0.599 63.842 63.200 0.071 0.000 0.787 590 S HN 0.661 nan 8.310 nan 0.000 0.506 591 K N 1.985 122.429 120.400 0.074 0.000 2.144 591 K HA -0.241 4.079 4.320 0.000 0.000 0.209 591 K C 2.124 178.753 176.600 0.048 0.000 1.047 591 K CA 1.419 57.742 56.287 0.059 0.000 0.927 591 K CB -0.039 32.484 32.500 0.038 0.000 0.716 591 K HN 0.570 nan 8.250 nan 0.000 0.454 592 E N 1.434 121.658 120.200 0.040 0.000 1.998 592 E HA -0.209 4.141 4.350 0.000 0.000 0.196 592 E C 1.921 178.548 176.600 0.044 0.000 1.003 592 E CA 1.257 57.676 56.400 0.033 0.000 0.829 592 E CB -0.217 29.497 29.700 0.024 0.000 0.777 592 E HN -0.010 nan 8.360 nan 0.000 0.460 593 R N 1.638 122.166 120.500 0.048 0.000 2.244 593 R HA -0.181 4.159 4.340 0.000 0.000 0.252 593 R C 1.897 178.233 176.300 0.060 0.000 1.177 593 R CA 1.954 58.084 56.100 0.051 0.000 1.004 593 R CB -0.721 29.611 30.300 0.053 0.000 0.873 593 R HN 0.340 nan 8.270 nan 0.000 0.469 594 E N -0.572 119.669 120.200 0.069 0.000 2.515 594 E HA -0.140 4.210 4.350 0.000 0.000 0.201 594 E C 1.058 177.716 176.600 0.096 0.000 1.071 594 E CA 0.135 56.587 56.400 0.088 0.000 0.880 594 E CB 0.089 29.843 29.700 0.091 0.000 0.828 594 E HN 0.181 nan 8.360 nan 0.000 0.540 595 R N -0.065 120.481 120.500 0.076 0.000 2.075 595 R HA 0.115 4.455 4.340 0.000 0.000 0.220 595 R C 1.222 177.575 176.300 0.088 0.000 1.118 595 R CA 0.871 57.014 56.100 0.070 0.000 0.986 595 R CB -0.479 29.849 30.300 0.047 0.000 0.884 595 R HN 0.048 nan 8.270 nan 0.000 0.439 596 A N 2.322 125.195 122.820 0.088 0.000 2.863 596 A HA 0.130 4.450 4.320 0.000 0.000 0.246 596 A C 0.510 178.197 177.584 0.172 0.000 1.772 596 A CA 0.129 52.228 52.037 0.102 0.000 1.456 596 A CB -1.481 17.568 19.000 0.081 0.000 0.930 596 A HN 0.339 nan 8.150 nan 0.000 0.630 600 T N -0.087 114.494 114.554 0.045 0.000 3.978 600 T HA 0.104 4.454 4.350 0.000 0.000 0.312 600 T C -0.699 174.001 174.700 0.000 0.000 0.873 600 T CA 0.125 62.244 62.100 0.032 0.000 1.238 600 T CB -0.141 68.762 68.868 0.059 0.000 0.981 600 T HN 0.080 nan 8.240 nan 0.000 0.468 601 K N 2.656 123.038 120.400 -0.030 0.000 2.140 601 K HA 0.462 4.782 4.320 0.000 0.000 0.237 601 K C -2.405 174.192 176.600 -0.005 0.000 1.045 601 K CA -1.794 54.451 56.287 -0.071 0.000 0.896 601 K CB -0.392 31.997 32.500 -0.185 0.000 1.122 601 K HN 0.410 nan 8.250 nan 0.000 0.503 602 P HA 0.126 nan 4.420 nan 0.000 0.276 602 P C -2.463 174.907 177.300 0.118 0.000 1.235 602 P CA -1.176 61.972 63.100 0.079 0.000 0.772 602 P CB -0.209 31.565 31.700 0.124 0.000 0.871 603 P HA -0.081 nan 4.420 nan 0.000 0.257 603 P C 0.927 178.303 177.300 0.127 0.000 1.162 603 P CA 1.222 64.388 63.100 0.110 0.000 0.762 603 P CB -0.130 31.621 31.700 0.085 0.000 0.753 604 G N 2.231 111.132 108.800 0.168 0.000 2.428 604 G HA2 -0.184 3.776 3.960 0.000 0.000 0.199 604 G HA3 -0.184 3.776 3.960 0.000 0.000 0.199 604 G C 0.288 175.312 174.900 0.207 0.000 1.005 604 G CA 0.133 45.316 45.100 0.139 0.000 0.671 604 G HN 0.839 nan 8.290 nan 0.000 0.485 605 T N 0.374 115.061 114.554 0.221 0.000 2.903 605 T HA 0.542 4.892 4.350 0.000 0.000 0.314 605 T C 0.097 174.967 174.700 0.282 0.000 1.078 605 T CA 0.646 62.862 62.100 0.194 0.000 1.114 605 T CB 0.978 69.870 68.868 0.040 0.000 0.987 605 T HN 1.475 nan 8.240 nan 0.000 0.548 606 F N -0.206 119.800 119.950 0.094 0.000 2.643 606 F HA 0.806 5.333 4.527 0.000 0.000 0.314 606 F C -1.143 174.792 175.800 0.225 0.000 1.096 606 F CA -1.748 56.349 58.000 0.163 0.000 0.953 606 F CB 0.563 39.606 39.000 0.072 0.000 1.345 606 F HN 0.466 nan 8.300 nan 0.000 0.468 607 L N 1.061 122.538 121.223 0.423 0.000 2.935 607 L HA 0.685 5.025 4.340 0.000 0.000 0.214 607 L C -0.750 176.361 176.870 0.402 0.000 1.574 607 L CA -0.887 54.152 54.840 0.331 0.000 1.628 607 L CB 0.751 42.980 42.059 0.282 0.000 2.455 607 L HN 0.718 nan 8.230 nan 0.000 0.578 608 L N 0.463 121.850 121.223 0.274 0.000 2.868 608 L HA 0.233 4.573 4.340 0.000 0.000 0.235 608 L C -0.898 175.963 176.870 -0.015 0.000 0.993 608 L CA -0.363 54.621 54.840 0.241 0.000 1.070 608 L CB 0.540 42.775 42.059 0.294 0.000 1.371 608 L HN 0.595 nan 8.230 nan 0.000 0.554 609 R N 0.059 120.541 120.500 -0.030 0.000 2.810 609 R HA 0.801 5.141 4.340 0.000 0.000 0.245 609 R C -1.222 174.930 176.300 -0.246 0.000 1.168 609 R CA -0.697 55.297 56.100 -0.176 0.000 1.096 609 R CB 1.205 31.513 30.300 0.013 0.000 1.259 609 R HN -0.026 nan 8.270 nan 0.000 0.518 610 F N -0.121 119.841 119.950 0.020 0.000 2.436 610 F HA 0.310 4.837 4.527 0.000 0.000 0.340 610 F C 0.679 176.601 175.800 0.203 0.000 1.113 610 F CA -0.879 57.154 58.000 0.054 0.000 1.022 610 F CB 2.081 41.053 39.000 -0.046 0.000 1.128 610 F HN 0.513 nan 8.300 nan 0.000 0.466 611 S N 1.920 117.844 115.700 0.372 0.000 2.525 611 S HA 0.018 4.488 4.470 0.000 0.000 0.285 611 S C 1.106 175.977 174.600 0.451 0.000 1.283 611 S CA -0.204 58.169 58.200 0.288 0.000 1.072 611 S CB 0.240 63.540 63.200 0.167 0.000 0.867 611 S HN 0.706 nan 8.310 nan 0.000 0.492 612 E N 2.537 122.886 120.200 0.247 0.000 2.371 612 E HA -0.050 4.300 4.350 0.000 0.000 0.194 612 E C 1.742 178.239 176.600 -0.172 0.000 1.012 612 E CA 0.834 57.213 56.400 -0.034 0.000 0.860 612 E CB 0.090 29.730 29.700 -0.099 0.000 0.811 612 E HN 0.795 nan 8.360 nan 0.000 0.502 613 S N 0.700 116.422 115.700 0.037 0.000 2.439 613 S HA -0.024 4.446 4.470 0.000 0.000 0.224 613 S C 1.331 176.113 174.600 0.303 0.000 1.029 613 S CA -0.195 58.053 58.200 0.080 0.000 0.946 613 S CB -0.040 63.181 63.200 0.035 0.000 0.797 613 S HN 0.083 nan 8.310 nan 0.000 0.504 614 S N 1.558 117.412 115.700 0.256 0.000 2.465 614 S HA 0.433 4.903 4.470 0.000 0.000 0.279 614 S C 0.442 175.066 174.600 0.040 0.000 1.201 614 S CA -0.849 57.444 58.200 0.155 0.000 1.053 614 S CB 1.712 64.963 63.200 0.086 0.000 0.953 614 S HN 0.357 nan 8.310 nan 0.000 0.488 615 K N 1.728 121.831 120.400 -0.495 0.000 2.148 615 K HA -0.092 4.228 4.320 0.000 0.000 0.204 615 K C 1.335 177.695 176.600 -0.401 0.000 1.050 615 K CA 1.240 56.888 56.287 -1.065 0.000 0.942 615 K CB -0.023 31.693 32.500 -1.306 0.000 0.724 615 K HN 0.700 nan 8.250 nan 0.000 0.446 616 E N -0.006 120.052 120.200 -0.236 0.000 2.403 616 E HA 0.108 4.458 4.350 0.000 0.000 0.187 616 E C -0.707 175.814 176.600 -0.133 0.000 1.073 616 E CA 0.325 56.622 56.400 -0.171 0.000 0.888 616 E CB 0.227 29.848 29.700 -0.132 0.000 1.035 616 E HN 0.425 nan 8.360 nan 0.000 0.471 617 G N -0.753 107.992 108.800 -0.092 0.000 3.285 617 G HA2 0.064 4.024 3.960 0.000 0.000 0.685 617 G HA3 0.064 4.024 3.960 0.000 0.000 0.685 617 G C 0.003 174.900 174.900 -0.005 0.000 0.938 617 G CA -0.380 44.669 45.100 -0.084 0.000 0.778 617 G HN 0.507 nan 8.290 nan 0.000 0.515 618 G N -0.057 108.804 108.800 0.102 0.000 2.732 618 G HA2 0.823 4.783 3.960 0.000 0.000 0.295 618 G HA3 0.823 4.783 3.960 0.000 0.000 0.295 618 G C -0.227 174.778 174.900 0.175 0.000 1.456 618 G CA 0.223 45.381 45.100 0.097 0.000 1.050 618 G HN 2.086 nan 8.290 nan 0.000 0.525 619 V N 0.763 120.742 119.914 0.109 0.000 2.294 619 V HA 0.730 4.850 4.120 0.000 0.000 0.272 619 V C 0.387 176.553 176.094 0.121 0.000 1.027 619 V CA -0.292 62.058 62.300 0.083 0.000 0.823 619 V CB 0.207 31.950 31.823 -0.133 0.000 1.030 619 V HN 0.664 nan 8.190 nan 0.000 0.457 620 T N 4.387 118.929 114.554 -0.019 0.000 2.990 620 T HA 0.888 5.238 4.350 0.000 0.000 0.296 620 T C -0.605 174.052 174.700 -0.071 0.000 1.189 620 T CA -0.030 61.890 62.100 -0.300 0.000 0.938 620 T CB 0.959 69.601 68.868 -0.376 0.000 1.994 620 T HN 1.070 nan 8.240 nan 0.000 0.584 621 F N -1.383 118.684 119.950 0.194 0.000 2.719 621 F HA 0.661 5.188 4.527 0.000 0.000 0.309 621 F C -1.028 174.986 175.800 0.356 0.000 1.138 621 F CA -1.145 57.012 58.000 0.263 0.000 0.943 621 F CB 0.943 40.064 39.000 0.203 0.000 1.304 621 F HN 0.404 nan 8.300 nan 0.000 0.445 622 T N 2.012 116.985 114.554 0.699 0.000 2.876 622 T HA 0.684 5.034 4.350 0.000 0.000 0.289 622 T C -1.433 173.716 174.700 0.747 0.000 1.014 622 T CA -0.509 61.962 62.100 0.619 0.000 0.986 622 T CB 1.795 70.870 68.868 0.345 0.000 1.021 622 T HN 0.777 nan 8.240 nan 0.000 0.458 632 T N 1.423 115.983 114.554 0.010 0.000 2.674 632 T HA -0.278 4.072 4.350 0.000 0.000 0.467 632 T C 0.473 175.173 174.700 0.000 0.000 0.780 632 T CA 1.302 63.410 62.100 0.013 0.000 3.122 632 T CB -1.517 67.370 68.868 0.032 0.000 1.283 632 T HN 1.036 nan 8.240 nan 0.000 0.386 633 Q N 1.558 121.345 119.800 -0.022 0.000 2.624 633 Q HA 0.253 4.593 4.340 0.000 0.000 0.256 633 Q C 0.248 176.205 176.000 -0.073 0.000 1.119 633 Q CA -0.225 55.552 55.803 -0.044 0.000 0.995 633 Q CB 0.386 29.087 28.738 -0.061 0.000 1.318 633 Q HN 0.568 nan 8.270 nan 0.000 0.534 634 I N 1.271 121.790 120.570 -0.084 0.000 2.676 634 I HA 0.295 4.465 4.170 0.000 0.000 0.309 634 I C -0.552 175.417 176.117 -0.247 0.000 0.990 634 I CA -0.263 60.965 61.300 -0.118 0.000 1.168 634 I CB 1.515 39.496 38.000 -0.032 0.000 1.343 634 I HN 0.804 nan 8.210 nan 0.000 0.482 635 Q N 2.680 122.231 119.800 -0.414 0.000 2.371 635 Q HA 0.304 4.644 4.340 0.000 0.000 0.244 635 Q C -1.330 174.427 176.000 -0.405 0.000 0.882 635 Q CA -0.393 55.086 55.803 -0.539 0.000 0.866 635 Q CB 1.949 30.122 28.738 -0.942 0.000 1.399 635 Q HN 0.488 nan 8.270 nan 0.000 0.432 636 S N 1.727 117.389 115.700 -0.065 0.000 2.420 636 S HA 0.330 4.800 4.470 0.000 0.000 0.313 636 S C 0.275 174.924 174.600 0.080 0.000 1.079 636 S CA -0.492 57.782 58.200 0.124 0.000 1.104 636 S CB 1.478 64.717 63.200 0.065 0.000 0.969 636 S HN 0.451 nan 8.310 nan 0.000 0.471 637 V N 2.341 122.358 119.914 0.173 0.000 3.893 637 V HA 0.050 4.170 4.120 0.000 0.000 0.284 637 V C 0.785 176.722 176.094 -0.261 0.000 1.040 637 V CA 0.051 62.365 62.300 0.023 0.000 1.050 637 V CB 0.622 32.519 31.823 0.123 0.000 1.209 637 V HN 0.901 nan 8.190 nan 0.000 0.457 638 E N 3.351 123.387 120.200 -0.274 0.000 2.324 638 E HA 0.227 4.577 4.350 0.000 0.000 0.271 638 E C -2.242 173.889 176.600 -0.781 0.000 1.028 638 E CA -1.502 54.690 56.400 -0.348 0.000 0.890 638 E CB 0.828 30.422 29.700 -0.176 0.000 1.004 638 E HN 0.450 nan 8.360 nan 0.000 0.431 639 P HA -0.084 nan 4.420 nan 0.000 0.270 639 P C -1.118 175.742 177.300 -0.733 0.000 1.221 639 P CA 0.317 63.064 63.100 -0.588 0.000 0.788 639 P CB 0.294 31.869 31.700 -0.209 0.000 0.904 640 Y N -1.434 118.878 120.300 0.020 0.000 2.332 640 Y HA 0.313 4.863 4.550 0.000 0.000 0.326 640 Y C 1.171 177.075 175.900 0.008 0.000 0.978 640 Y CA -0.677 57.452 58.100 0.048 0.000 1.205 640 Y CB 1.176 39.735 38.460 0.166 0.000 1.131 640 Y HN 0.237 nan 8.280 nan 0.000 0.462 641 T N 1.549 116.159 114.554 0.094 0.000 2.816 641 T HA 0.183 4.534 4.350 0.000 0.000 0.282 641 T C 1.370 176.004 174.700 -0.110 0.000 0.993 641 T CA -0.396 61.690 62.100 -0.023 0.000 0.994 641 T CB 0.729 69.573 68.868 -0.040 0.000 1.025 641 T HN 0.779 nan 8.240 nan 0.000 0.529 642 K N 0.851 121.095 120.400 -0.259 0.000 2.077 642 K HA -0.248 4.072 4.320 0.000 0.000 0.213 642 K C 2.396 178.789 176.600 -0.344 0.000 1.051 642 K CA 2.051 58.011 56.287 -0.546 0.000 0.929 642 K CB -0.186 31.972 32.500 -0.570 0.000 0.715 642 K HN 0.617 nan 8.250 nan 0.000 0.451 643 Q N 0.211 119.914 119.800 -0.162 0.000 2.197 643 Q HA -0.213 4.127 4.340 0.000 0.000 0.207 643 Q C 2.210 178.187 176.000 -0.039 0.000 0.984 643 Q CA 1.321 57.081 55.803 -0.071 0.000 0.869 643 Q CB 0.014 28.732 28.738 -0.034 0.000 0.906 643 Q HN 0.351 nan 8.270 nan 0.000 0.426 644 Q N 0.429 120.213 119.800 -0.028 0.000 2.020 644 Q HA -0.059 4.281 4.340 0.000 0.000 0.198 644 Q C 1.910 177.922 176.000 0.019 0.000 0.974 644 Q CA 0.948 56.762 55.803 0.017 0.000 0.829 644 Q CB -0.480 28.307 28.738 0.081 0.000 0.894 644 Q HN 0.417 nan 8.270 nan 0.000 0.433 645 L N 1.317 122.536 121.223 -0.006 0.000 2.879 645 L HA -0.102 4.238 4.340 0.000 0.000 0.254 645 L C -0.003 176.915 176.870 0.081 0.000 1.157 645 L CA -0.037 54.830 54.840 0.044 0.000 0.886 645 L CB -0.930 41.094 42.059 -0.059 0.000 1.076 645 L HN 0.077 nan 8.230 nan 0.000 0.446 651 A N -0.092 122.886 122.820 0.263 0.000 2.172 651 A HA -0.010 4.310 4.320 0.000 0.000 0.216 651 A C 1.716 179.360 177.584 0.101 0.000 1.154 651 A CA 2.065 54.237 52.037 0.225 0.000 0.701 651 A CB -0.333 18.817 19.000 0.249 0.000 0.789 651 A HN 0.399 nan 8.150 nan 0.000 0.465 652 E N -0.936 119.272 120.200 0.014 0.000 2.290 652 E HA 0.149 4.499 4.350 0.000 0.000 0.197 652 E C 1.298 177.789 176.600 -0.182 0.000 0.948 652 E CA 0.177 56.542 56.400 -0.057 0.000 0.895 652 E CB -0.096 29.591 29.700 -0.022 0.000 0.865 652 E HN 0.476 nan 8.360 nan 0.000 0.486 653 I N 0.635 121.031 120.570 -0.291 0.000 2.850 653 I HA -0.132 4.038 4.170 0.000 0.000 0.266 653 I C 1.348 177.156 176.117 -0.515 0.000 1.257 653 I CA 1.029 62.071 61.300 -0.431 0.000 1.465 653 I CB -0.152 37.464 38.000 -0.639 0.000 1.091 653 I HN 0.112 nan 8.210 nan 0.000 0.467 654 I N -0.738 119.539 120.570 -0.489 0.000 3.956 654 I HA 0.056 4.226 4.170 0.000 0.000 0.333 654 I C 1.309 177.122 176.117 -0.506 0.000 1.302 654 I CA 0.217 61.159 61.300 -0.596 0.000 1.122 654 I CB 0.123 37.823 38.000 -0.500 0.000 1.013 654 I HN 0.097 nan 8.210 nan 0.000 0.405 655 M N -0.585 118.823 119.600 -0.320 0.000 2.260 655 M HA 0.347 4.827 4.480 0.000 0.000 0.326 655 M C 1.493 177.669 176.300 -0.206 0.000 0.930 655 M CA 0.301 55.462 55.300 -0.231 0.000 1.051 655 M CB 0.363 32.899 32.600 -0.106 0.000 1.748 655 M HN 0.151 nan 8.290 nan 0.000 0.606 656 G N -0.803 107.869 108.800 -0.212 0.000 2.613 656 G HA2 -0.024 3.936 3.960 0.000 0.000 0.218 656 G HA3 -0.024 3.936 3.960 0.000 0.000 0.218 656 G C -0.252 174.551 174.900 -0.162 0.000 1.508 656 G CA -0.130 44.874 45.100 -0.159 0.000 0.788 656 G HN 0.267 nan 8.290 nan 0.000 0.603 657 Y N 2.712 122.823 120.300 -0.314 0.000 2.462 657 Y HA -0.194 4.356 4.550 0.000 0.000 0.417 657 Y C 1.575 177.275 175.900 -0.333 0.000 1.081 657 Y CA 0.023 57.932 58.100 -0.319 0.000 1.558 657 Y CB 0.231 38.427 38.460 -0.439 0.000 1.081 657 Y HN 0.117 nan 8.280 nan 0.000 0.454 658 K N 5.859 125.983 120.400 -0.460 0.000 2.202 658 K HA 0.166 4.486 4.320 0.000 0.000 0.201 658 K C 0.792 177.030 176.600 -0.603 0.000 1.051 658 K CA 0.848 56.859 56.287 -0.461 0.000 0.977 658 K CB 0.098 32.446 32.500 -0.254 0.000 0.792 658 K HN 0.857 nan 8.250 nan 0.000 0.469 659 I N 1.991 122.126 120.570 -0.724 0.000 7.004 659 I HA -0.252 3.918 4.170 0.000 0.000 0.126 659 I C 0.336 176.322 176.117 -0.219 0.000 1.826 659 I CA -0.087 60.914 61.300 -0.499 0.000 2.066 659 I CB -1.693 35.986 38.000 -0.535 0.000 3.565 659 I HN 0.296 nan 8.210 nan 0.000 0.178 660 M N 2.930 122.441 119.600 -0.148 0.000 2.188 660 M HA -0.098 4.382 4.480 0.000 0.000 0.373 660 M C 0.668 176.938 176.300 -0.050 0.000 1.192 660 M CA 1.417 56.665 55.300 -0.087 0.000 0.854 660 M CB 0.308 32.879 32.600 -0.049 0.000 1.821 660 M HN 0.483 nan 8.290 nan 0.000 0.488 661 D N 2.651 123.026 120.400 -0.042 0.000 2.466 661 D HA 0.383 5.023 4.640 0.000 0.000 0.262 661 D C 0.364 176.661 176.300 -0.005 0.000 1.177 661 D CA 0.482 54.473 54.000 -0.015 0.000 1.035 661 D CB 1.488 42.277 40.800 -0.019 0.000 1.105 661 D HN 0.781 nan 8.370 nan 0.000 0.551 662 A N -0.338 122.484 122.820 0.004 0.000 2.072 662 A HA -0.060 4.260 4.320 0.000 0.000 0.216 662 A C 1.525 179.109 177.584 -0.001 0.000 1.156 662 A CA 1.289 53.328 52.037 0.004 0.000 0.701 662 A CB -0.396 18.609 19.000 0.008 0.000 0.816 662 A HN 0.576 nan 8.150 nan 0.000 0.458 663 T N -2.676 111.875 114.554 -0.004 0.000 3.366 663 T HA 0.120 4.470 4.350 0.000 0.000 0.249 663 T C 0.321 175.014 174.700 -0.012 0.000 1.028 663 T CA -0.067 62.029 62.100 -0.007 0.000 0.938 663 T CB -0.830 68.033 68.868 -0.008 0.000 1.046 663 T HN 0.369 nan 8.240 nan 0.000 0.587 664 N N 1.605 120.298 118.700 -0.011 0.000 2.699 664 N HA -0.116 4.624 4.740 0.000 0.000 0.256 664 N C -0.963 174.534 175.510 -0.022 0.000 0.993 664 N CA 0.589 53.630 53.050 -0.015 0.000 0.759 664 N CB -0.888 37.592 38.487 -0.011 0.000 0.906 664 N HN 0.545 nan 8.380 nan 0.000 0.541 665 I N 0.934 121.487 120.570 -0.029 0.000 2.503 665 I HA 0.155 4.325 4.170 0.000 0.000 0.282 665 I C 0.368 176.451 176.117 -0.057 0.000 1.059 665 I CA -0.796 60.480 61.300 -0.040 0.000 1.081 665 I CB 1.291 39.268 38.000 -0.038 0.000 1.210 665 I HN -0.077 nan 8.210 nan 0.000 0.450 666 L N 7.179 128.363 121.223 -0.065 0.000 2.737 666 L HA 0.001 4.341 4.340 0.000 0.000 0.288 666 L C 1.077 177.873 176.870 -0.122 0.000 1.185 666 L CA 0.513 55.298 54.840 -0.093 0.000 1.127 666 L CB -0.463 41.544 42.059 -0.087 0.000 1.432 666 L HN 0.493 nan 8.230 nan 0.000 0.449 667 V N 0.770 120.603 119.914 -0.136 0.000 4.096 667 V HA 0.204 4.324 4.120 0.000 0.000 0.290 667 V C 0.831 176.790 176.094 -0.225 0.000 1.025 667 V CA -0.021 62.184 62.300 -0.158 0.000 1.064 667 V CB 0.015 31.753 31.823 -0.143 0.000 1.187 667 V HN 0.773 nan 8.190 nan 0.000 0.462 668 S N 0.048 115.598 115.700 -0.250 0.000 2.689 668 S HA 0.634 5.104 4.470 0.000 0.000 0.306 668 S C -2.800 171.538 174.600 -0.437 0.000 1.104 668 S CA -1.535 56.483 58.200 -0.303 0.000 0.973 668 S CB 1.714 64.770 63.200 -0.240 0.000 1.121 668 S HN 0.921 nan 8.310 nan 0.000 0.523 669 P HA 0.189 nan 4.420 nan 0.000 0.268 669 P C -0.164 176.747 177.300 -0.650 0.000 1.541 669 P CA -0.405 62.304 63.100 -0.652 0.000 1.093 669 P CB -0.144 31.191 31.700 -0.608 0.000 1.551 670 L N 3.699 124.548 121.223 -0.624 0.000 3.184 670 L HA -0.146 4.194 4.340 0.000 0.000 0.341 670 L C 1.305 177.986 176.870 -0.315 0.000 1.112 670 L CA 1.150 55.756 54.840 -0.389 0.000 0.842 670 L CB -1.039 40.861 42.059 -0.264 0.000 1.260 670 L HN 0.245 nan 8.230 nan 0.000 0.573 671 V N 2.802 122.550 119.914 -0.277 0.000 3.170 671 V HA 0.592 4.712 4.120 0.000 0.000 0.309 671 V C -0.524 175.477 176.094 -0.155 0.000 1.071 671 V CA -0.966 61.180 62.300 -0.257 0.000 1.063 671 V CB 1.066 32.482 31.823 -0.677 0.000 1.123 671 V HN 0.635 nan 8.190 nan 0.000 0.464 672 Y N -1.357 119.030 120.300 0.144 0.000 2.635 672 Y HA -0.044 4.506 4.550 0.000 0.000 0.027 672 Y C -0.360 175.199 175.900 -0.568 0.000 1.847 672 Y CA -0.517 57.514 58.100 -0.116 0.000 1.327 672 Y CB -1.724 36.675 38.460 -0.102 0.000 1.982 672 Y HN 0.868 nan 8.280 nan 0.000 0.272 673 L N 2.910 123.872 121.223 -0.436 0.000 2.474 673 L HA 0.173 4.513 4.340 0.000 0.000 0.259 673 L C 1.715 178.362 176.870 -0.373 0.000 1.232 673 L CA 0.084 54.504 54.840 -0.700 0.000 0.821 673 L CB -0.042 41.846 42.059 -0.284 0.000 1.108 673 L HN 0.620 nan 8.230 nan 0.000 0.495 674 Y N 2.422 122.545 120.300 -0.295 0.000 1.997 674 Y HA -0.329 4.221 4.550 0.000 0.000 0.265 674 Y C -0.756 175.092 175.900 -0.086 0.000 1.193 674 Y CA 3.010 61.034 58.100 -0.126 0.000 1.106 674 Y CB -1.670 36.755 38.460 -0.058 0.000 0.940 674 Y HN 0.704 nan 8.280 nan 0.000 0.494 675 P HA -0.210 nan 4.420 nan 0.000 0.210 675 P C 0.150 177.348 177.300 -0.171 0.000 1.151 675 P CA 3.085 66.184 63.100 -0.001 0.000 0.949 675 P CB -0.066 31.649 31.700 0.026 0.000 0.786 676 D N -6.425 113.880 120.400 -0.157 0.000 4.172 676 D HA -0.022 4.618 4.640 0.000 0.000 0.230 676 D C -0.403 175.802 176.300 -0.158 0.000 0.582 676 D CA -0.208 53.652 54.000 -0.233 0.000 0.695 676 D CB -1.944 38.704 40.800 -0.254 0.000 1.689 676 D HN 0.114 nan 8.370 nan 0.000 0.148 677 I N 2.179 122.717 120.570 -0.053 0.000 2.494 677 I HA 0.244 4.414 4.170 0.000 0.000 0.289 677 I C -1.933 174.284 176.117 0.167 0.000 1.106 677 I CA -1.634 59.680 61.300 0.024 0.000 1.369 677 I CB 0.003 37.991 38.000 -0.019 0.000 1.410 677 I HN -0.134 nan 8.210 nan 0.000 0.523 678 P HA -0.017 nan 4.420 nan 0.000 0.267 678 P C -0.354 177.088 177.300 0.236 0.000 1.209 678 P CA -0.437 62.875 63.100 0.355 0.000 0.763 678 P CB 0.376 32.265 31.700 0.316 0.000 0.816 679 K N 2.471 123.007 120.400 0.226 0.000 3.006 679 K HA -0.103 4.217 4.320 0.000 0.000 0.243 679 K C 0.697 177.464 176.600 0.277 0.000 0.945 679 K CA 0.633 57.103 56.287 0.305 0.000 1.101 679 K CB -0.444 32.007 32.500 -0.082 0.000 1.096 679 K HN 0.473 nan 8.250 nan 0.000 0.281 680 E N 0.849 121.209 120.200 0.267 0.000 2.614 680 E HA -0.087 4.263 4.350 0.000 0.000 0.201 680 E C 1.033 177.749 176.600 0.193 0.000 0.889 680 E CA 0.106 56.626 56.400 0.200 0.000 1.564 680 E CB 0.338 30.112 29.700 0.123 0.000 1.623 680 E HN 0.627 nan 8.360 nan 0.000 0.898 681 E N 0.159 120.462 120.200 0.171 0.000 2.340 681 E HA 0.159 4.509 4.350 0.000 0.000 0.194 681 E C 1.592 178.289 176.600 0.162 0.000 0.996 681 E CA 0.676 57.164 56.400 0.147 0.000 0.869 681 E CB 0.555 30.322 29.700 0.113 0.000 0.835 681 E HN 0.160 nan 8.360 nan 0.000 0.493 682 A N 0.617 123.513 122.820 0.125 0.000 1.924 682 A HA 0.203 4.523 4.320 0.000 0.000 0.211 682 A C 1.491 178.954 177.584 -0.201 0.000 1.198 682 A CA 0.336 52.311 52.037 -0.103 0.000 0.657 682 A CB -0.277 18.443 19.000 -0.466 0.000 0.852 682 A HN 0.209 nan 8.150 nan 0.000 0.454 683 F N -0.716 119.284 119.950 0.085 0.000 2.602 683 F HA 0.228 4.755 4.527 0.000 0.000 0.284 683 F C 2.501 178.398 175.800 0.162 0.000 1.111 683 F CA 0.347 58.408 58.000 0.101 0.000 1.405 683 F CB -0.332 38.695 39.000 0.046 0.000 1.121 683 F HN 0.259 nan 8.300 nan 0.000 0.603 684 G N 1.022 110.012 108.800 0.317 0.000 2.475 684 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 684 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 684 G C 1.595 176.635 174.900 0.232 0.000 1.125 684 G CA 0.979 46.216 45.100 0.227 0.000 0.755 684 G HN 0.258 nan 8.290 nan 0.000 0.565 685 K N -0.232 120.341 120.400 0.288 0.000 2.001 685 K HA -0.128 4.193 4.320 0.000 0.000 0.214 685 K C 1.662 178.393 176.600 0.219 0.000 1.050 685 K CA 1.453 57.876 56.287 0.228 0.000 0.934 685 K CB -0.442 32.193 32.500 0.225 0.000 0.718 685 K HN 0.520 nan 8.250 nan 0.000 0.443 686 Y N 0.411 120.775 120.300 0.106 0.000 2.497 686 Y HA 0.032 4.582 4.550 0.000 0.000 0.345 686 Y C 0.088 176.051 175.900 0.105 0.000 1.204 686 Y CA -0.976 57.187 58.100 0.106 0.000 1.265 686 Y CB -0.348 38.191 38.460 0.130 0.000 1.121 686 Y HN 0.009 nan 8.280 nan 0.000 0.493 687 C N 0.758 120.196 119.300 0.229 0.000 2.345 687 C HA 0.517 4.977 4.460 0.000 0.000 0.323 687 C C 0.518 175.566 174.990 0.097 0.000 1.276 687 C CA -1.413 57.698 59.018 0.154 0.000 1.543 687 C CB 0.565 28.390 27.740 0.141 0.000 2.211 687 C HN 0.491 nan 8.230 nan 0.000 0.493 688 R N 0.000 120.547 120.500 0.078 0.000 2.786 688 R HA 0.000 4.340 4.340 0.000 0.000 0.208 688 R CA 0.000 56.131 56.100 0.052 0.000 0.921 688 R CB 0.000 30.329 30.300 0.048 0.000 0.687 688 R HN 0.000 nan 8.270 nan 0.000 0.535