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 2a9c_1_A DATA FIRST_RESID 108 DATA SEQUENCE RVNSQKPFNA EPPAELLAER FLTPNELFFT QNHLPVPAVE PSSYRLRVDG DATA SEQUENCE PGGGTLSLSL AELRSRFPKH EVTATLQCAG NRRSEMSRVR PVKGLPWDIG DATA SEQUENCE AISTARWGGA RLRDVLLHAG FPEELQGEWH VCFEGLDADP GGAPYGASIP DATA SEQUENCE YGRALSPAAD VLLAYEMNGT ELPRDHGFPV RVVVPGVVGA RSVKWLRRVA DATA SEQUENCE VSPDESPSHW QQNDYKGFSP CVDWDTVDYR TAPAIQELPV QSAVTQPRPG DATA SEQUENCE AAVPPGELTV KGYAWSGGGR EVVRVDVSLD GGRTWKVARL MGDKAPPGRA DATA SEQUENCE WAWALWELTV PVEAGTELEI VCKAVDSSYN VQPDSVAPIW NLRGVLSTAW DATA SEQUENCE HRVRVSVQD 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 108 R HA 0.000 nan 4.340 nan 0.000 0.208 108 R C 0.000 176.292 176.300 -0.013 0.000 0.893 108 R CA 0.000 56.120 56.100 0.033 0.000 0.921 108 R CB 0.000 30.322 30.300 0.036 0.000 0.687 109 V N 3.512 123.409 119.914 -0.028 0.000 2.432 109 V HA 0.101 4.428 4.120 0.345 0.000 0.271 109 V C 0.289 176.294 176.094 -0.148 0.000 1.046 109 V CA -0.426 61.805 62.300 -0.114 0.000 0.945 109 V CB 1.195 33.007 31.823 -0.019 0.000 0.992 109 V HN 0.709 nan 8.190 nan 0.000 0.471 110 N N 2.586 121.124 118.700 -0.270 0.000 2.422 110 N HA 0.073 5.020 4.740 0.345 0.000 0.181 110 N C 0.289 175.663 175.510 -0.226 0.000 1.080 110 N CA 0.290 53.169 53.050 -0.285 0.000 0.893 110 N CB 0.488 38.679 38.487 -0.492 0.000 0.973 110 N HN 0.570 nan 8.380 nan 0.000 0.456 111 S N -0.936 114.641 115.700 -0.206 0.000 2.583 111 S HA 0.204 4.881 4.470 0.345 0.000 0.294 111 S C -0.513 174.064 174.600 -0.038 0.000 1.121 111 S CA -0.535 57.599 58.200 -0.110 0.000 0.910 111 S CB 1.203 64.336 63.200 -0.112 0.000 1.102 111 S HN -0.046 nan 8.310 nan 0.000 0.451 112 Q N 2.382 122.222 119.800 0.066 0.000 2.373 112 Q HA 0.422 4.969 4.340 0.345 0.000 0.210 112 Q C -0.542 175.574 176.000 0.193 0.000 0.913 112 Q CA 1.003 56.932 55.803 0.209 0.000 0.911 112 Q CB 0.389 29.212 28.738 0.141 0.000 1.040 112 Q HN 0.606 nan 8.270 nan 0.000 0.521 113 K N 1.589 122.050 120.400 0.102 0.000 2.690 113 K HA 0.327 4.854 4.320 0.345 0.000 0.243 113 K C -2.522 174.116 176.600 0.063 0.000 0.982 113 K CA -1.481 54.853 56.287 0.078 0.000 0.955 113 K CB 1.798 34.326 32.500 0.047 0.000 1.185 113 K HN 0.101 nan 8.250 nan 0.000 0.467 114 P HA 0.106 nan 4.420 nan 0.000 0.272 114 P C -0.638 176.739 177.300 0.128 0.000 1.240 114 P CA -0.462 62.696 63.100 0.096 0.000 0.791 114 P CB 0.550 32.303 31.700 0.088 0.000 0.978 115 F N 1.780 121.720 119.950 -0.017 0.000 2.382 115 F HA 0.351 5.082 4.527 0.340 0.000 0.331 115 F C 0.509 176.304 175.800 -0.009 0.000 1.121 115 F CA 0.001 57.991 58.000 -0.016 0.000 1.183 115 F CB 0.598 39.590 39.000 -0.013 0.000 1.207 115 F HN 0.484 nan 8.300 nan 0.000 0.555 116 N N 3.315 121.486 118.700 -0.883 0.000 2.846 116 N HA 0.562 5.509 4.740 0.345 0.000 0.248 116 N C -2.353 172.687 175.510 -0.783 0.000 1.097 116 N CA -0.774 51.902 53.050 -0.624 0.000 1.013 116 N CB 1.353 39.656 38.487 -0.307 0.000 1.686 116 N HN 0.822 nan 8.380 nan 0.000 0.520 117 A N 1.065 123.664 122.820 -0.367 0.000 2.547 117 A HA 0.631 5.159 4.320 0.345 0.000 0.297 117 A C -1.220 176.504 177.584 0.233 0.000 1.056 117 A CA -0.715 51.222 52.037 -0.167 0.000 0.688 117 A CB 1.761 20.649 19.000 -0.186 0.000 1.282 117 A HN 0.816 nan 8.150 nan 0.000 0.400 118 E N 2.180 122.523 120.200 0.238 0.000 2.256 118 E HA 0.733 5.291 4.350 0.345 0.000 0.267 118 E C -2.884 173.821 176.600 0.176 0.000 0.892 118 E CA -2.183 54.403 56.400 0.310 0.000 0.775 118 E CB 2.514 32.453 29.700 0.398 0.000 1.207 118 E HN 0.325 nan 8.360 nan 0.000 0.420 119 P HA 0.227 nan 4.420 nan 0.000 0.274 119 P C -2.515 174.838 177.300 0.087 0.000 1.231 119 P CA -1.518 61.645 63.100 0.105 0.000 0.790 119 P CB -0.161 31.589 31.700 0.084 0.000 0.951 120 P HA 0.074 nan 4.420 nan 0.000 0.271 120 P C 0.760 178.097 177.300 0.062 0.000 1.218 120 P CA -0.011 63.129 63.100 0.067 0.000 0.780 120 P CB 0.277 32.011 31.700 0.056 0.000 0.901 121 A N 3.455 126.314 122.820 0.065 0.000 1.948 121 A HA -0.227 4.300 4.320 0.345 0.000 0.220 121 A C 1.681 179.287 177.584 0.037 0.000 1.177 121 A CA 1.596 53.671 52.037 0.063 0.000 0.636 121 A CB -1.031 18.014 19.000 0.075 0.000 0.815 121 A HN 0.674 nan 8.150 nan 0.000 0.449 122 E N 0.249 120.467 120.200 0.029 0.000 2.472 122 E HA -0.088 4.469 4.350 0.345 0.000 0.200 122 E C 1.519 178.124 176.600 0.009 0.000 1.046 122 E CA 0.924 57.331 56.400 0.011 0.000 0.871 122 E CB -0.388 29.320 29.700 0.013 0.000 0.806 122 E HN 0.706 nan 8.360 nan 0.000 0.533 123 L N -0.159 121.078 121.223 0.023 0.000 2.500 123 L HA 0.159 4.707 4.340 0.345 0.000 0.219 123 L C 2.543 179.432 176.870 0.031 0.000 1.057 123 L CA -0.124 54.731 54.840 0.026 0.000 0.854 123 L CB -0.237 41.845 42.059 0.038 0.000 1.078 123 L HN 0.026 nan 8.230 nan 0.000 0.480 124 L N 0.920 122.169 121.223 0.042 0.000 2.034 124 L HA -0.253 4.294 4.340 0.345 0.000 0.217 124 L C 1.813 178.723 176.870 0.066 0.000 1.077 124 L CA 2.081 56.963 54.840 0.071 0.000 0.769 124 L CB -0.135 41.975 42.059 0.086 0.000 0.890 124 L HN 0.351 nan 8.230 nan 0.000 0.435 125 A N -2.091 120.700 122.820 -0.048 0.000 2.637 125 A HA 0.134 4.661 4.320 0.345 0.000 0.293 125 A C 1.428 178.924 177.584 -0.146 0.000 1.216 125 A CA -0.387 51.524 52.037 -0.209 0.000 0.956 125 A CB 0.041 18.851 19.000 -0.316 0.000 1.174 125 A HN 0.282 nan 8.150 nan 0.000 0.525 126 E N 0.548 120.715 120.200 -0.055 0.000 2.072 126 E HA -0.005 4.552 4.350 0.345 0.000 0.190 126 E C 0.252 176.852 176.600 -0.001 0.000 0.982 126 E CA 0.797 57.178 56.400 -0.033 0.000 0.803 126 E CB 0.128 29.824 29.700 -0.007 0.000 0.755 126 E HN 0.322 nan 8.360 nan 0.000 0.453 127 R N -0.131 120.394 120.500 0.042 0.000 2.670 127 R HA 0.173 4.720 4.340 0.345 0.000 0.289 127 R C 0.802 177.219 176.300 0.196 0.000 0.965 127 R CA -0.614 55.548 56.100 0.104 0.000 0.899 127 R CB 0.590 30.946 30.300 0.095 0.000 1.173 127 R HN 0.011 nan 8.270 nan 0.000 0.456 128 F N 1.969 121.983 119.950 0.106 0.000 2.091 128 F HA -0.088 4.647 4.527 0.348 0.000 0.299 128 F C 0.329 176.341 175.800 0.353 0.000 1.103 128 F CA 1.548 59.693 58.000 0.241 0.000 1.228 128 F CB 0.134 39.226 39.000 0.153 0.000 0.984 128 F HN 0.300 nan 8.300 nan 0.000 0.477 129 L N 1.434 122.699 121.223 0.070 0.000 2.276 129 L HA 0.247 4.794 4.340 0.345 0.000 0.286 129 L C 0.131 176.992 176.870 -0.016 0.000 1.061 129 L CA -0.602 54.175 54.840 -0.104 0.000 0.807 129 L CB 1.172 43.195 42.059 -0.059 0.000 1.177 129 L HN -0.150 nan 8.230 nan 0.000 0.429 130 T N 4.405 118.918 114.554 -0.068 0.000 2.752 130 T HA 0.185 4.742 4.350 0.345 0.000 0.295 130 T C -2.270 172.431 174.700 0.001 0.000 0.923 130 T CA -1.075 61.015 62.100 -0.016 0.000 1.112 130 T CB 0.472 69.260 68.868 -0.134 0.000 0.884 130 T HN 0.305 nan 8.240 nan 0.000 0.525 131 P HA 0.009 nan 4.420 nan 0.000 0.263 131 P C 0.791 178.087 177.300 -0.006 0.000 1.175 131 P CA -0.030 63.064 63.100 -0.009 0.000 0.761 131 P CB 0.469 32.176 31.700 0.012 0.000 0.794 132 N N 2.760 121.415 118.700 -0.075 0.000 2.060 132 N HA -0.199 4.748 4.740 0.345 0.000 0.195 132 N C 1.204 176.719 175.510 0.007 0.000 1.028 132 N CA 1.407 54.384 53.050 -0.121 0.000 0.861 132 N CB -0.456 37.940 38.487 -0.151 0.000 1.029 132 N HN 0.575 nan 8.380 nan 0.000 0.428 133 E N -0.118 120.105 120.200 0.038 0.000 2.526 133 E HA -0.056 4.501 4.350 0.345 0.000 0.198 133 E C 1.296 177.970 176.600 0.123 0.000 1.091 133 E CA 0.290 56.742 56.400 0.087 0.000 0.880 133 E CB -0.236 29.497 29.700 0.055 0.000 0.873 133 E HN 0.386 nan 8.360 nan 0.000 0.527 134 L N -0.887 120.413 121.223 0.128 0.000 2.902 134 L HA 0.288 4.835 4.340 0.345 0.000 0.254 134 L C 0.252 177.226 176.870 0.172 0.000 1.115 134 L CA -0.362 54.558 54.840 0.135 0.000 0.947 134 L CB 0.451 42.561 42.059 0.085 0.000 1.369 134 L HN -0.076 nan 8.230 nan 0.000 0.538 135 F N 2.147 122.083 119.950 -0.024 0.000 2.623 135 F HA 0.019 4.751 4.527 0.341 0.000 0.386 135 F C 0.609 176.454 175.800 0.076 0.000 1.068 135 F CA -0.536 57.417 58.000 -0.078 0.000 1.265 135 F CB 0.178 38.955 39.000 -0.372 0.000 1.026 135 F HN 0.063 nan 8.300 nan 0.000 0.568 136 F N 3.782 123.723 119.950 -0.016 0.000 2.589 136 F HA 0.364 5.093 4.527 0.337 0.000 0.352 136 F C -0.148 175.847 175.800 0.324 0.000 1.168 136 F CA -0.680 57.376 58.000 0.092 0.000 1.353 136 F CB -0.235 38.685 39.000 -0.133 0.000 1.116 136 F HN 0.360 nan 8.300 nan 0.000 0.608 137 T N 3.257 117.924 114.554 0.187 0.000 2.848 137 T HA 0.401 4.958 4.350 0.345 0.000 0.285 137 T C -1.204 173.554 174.700 0.096 0.000 0.995 137 T CA -0.541 61.567 62.100 0.013 0.000 0.970 137 T CB 1.414 70.332 68.868 0.084 0.000 0.976 137 T HN 0.740 nan 8.240 nan 0.000 0.441 138 Q N 3.449 123.235 119.800 -0.023 0.000 2.337 138 Q HA 0.423 4.971 4.340 0.345 0.000 0.264 138 Q C -1.557 174.393 176.000 -0.083 0.000 1.007 138 Q CA -0.546 55.291 55.803 0.057 0.000 0.727 138 Q CB 0.591 29.425 28.738 0.159 0.000 1.256 138 Q HN 0.439 nan 8.270 nan 0.000 0.467 139 N N 2.684 121.352 118.700 -0.053 0.000 2.372 139 N HA 0.258 5.205 4.740 0.345 0.000 0.285 139 N C -0.565 174.889 175.510 -0.093 0.000 1.008 139 N CA -0.453 52.603 53.050 0.009 0.000 0.880 139 N CB 1.231 39.812 38.487 0.157 0.000 1.239 139 N HN 0.621 nan 8.380 nan 0.000 0.484 140 H N 0.326 119.357 119.070 -0.064 0.000 2.563 140 H HA 0.390 5.100 4.556 0.257 0.000 0.264 140 H C -0.009 175.353 175.328 0.057 0.000 0.957 140 H CA 0.538 56.572 56.048 -0.024 0.000 1.173 140 H CB 0.629 30.242 29.762 -0.249 0.000 1.420 140 H HN 0.298 nan 8.280 nan 0.000 0.551 141 L N -0.453 120.851 121.223 0.136 0.000 2.403 141 L HA 0.429 4.976 4.340 0.345 0.000 0.253 141 L C -2.442 174.426 176.870 -0.003 0.000 1.045 141 L CA -2.565 52.332 54.840 0.095 0.000 0.845 141 L CB 2.143 44.268 42.059 0.111 0.000 1.447 141 L HN -0.175 nan 8.230 nan 0.000 0.411 142 P HA 0.061 nan 4.420 nan 0.000 0.265 142 P C -0.735 176.413 177.300 -0.254 0.000 1.193 142 P CA -0.222 62.819 63.100 -0.099 0.000 0.765 142 P CB 0.450 32.106 31.700 -0.072 0.000 0.823 143 V N 6.282 126.010 119.914 -0.310 0.000 2.479 143 V HA 0.117 4.444 4.120 0.345 0.000 0.281 143 V C -1.438 174.325 176.094 -0.551 0.000 1.031 143 V CA -0.976 60.972 62.300 -0.587 0.000 1.038 143 V CB -0.075 31.540 31.823 -0.347 0.000 0.981 143 V HN 0.628 nan 8.190 nan 0.000 0.478 144 P HA 0.362 nan 4.420 nan 0.000 0.275 144 P C -0.756 176.380 177.300 -0.274 0.000 1.228 144 P CA -0.370 62.471 63.100 -0.431 0.000 0.786 144 P CB 1.114 32.576 31.700 -0.397 0.000 0.927 145 A N 2.710 125.457 122.820 -0.122 0.000 2.249 145 A HA 0.504 5.031 4.320 0.345 0.000 0.314 145 A C -0.369 177.240 177.584 0.042 0.000 1.290 145 A CA -0.554 51.465 52.037 -0.031 0.000 0.893 145 A CB 0.292 19.271 19.000 -0.035 0.000 1.165 145 A HN 0.338 nan 8.150 nan 0.000 0.530 146 V N 3.036 123.033 119.914 0.139 0.000 2.378 146 V HA 0.293 4.620 4.120 0.345 0.000 0.288 146 V C 0.031 176.262 176.094 0.228 0.000 1.016 146 V CA -0.680 61.729 62.300 0.182 0.000 0.840 146 V CB 1.347 33.283 31.823 0.188 0.000 0.994 146 V HN 0.986 nan 8.190 nan 0.000 0.431 147 E N 8.466 128.764 120.200 0.163 0.000 2.265 147 E HA 0.216 4.773 4.350 0.345 0.000 0.272 147 E C -1.919 174.786 176.600 0.175 0.000 1.067 147 E CA -1.768 54.725 56.400 0.154 0.000 0.900 147 E CB 1.409 31.171 29.700 0.103 0.000 1.017 147 E HN 0.318 nan 8.360 nan 0.000 0.431 148 P HA -0.159 nan 4.420 nan 0.000 0.217 148 P C 1.089 178.460 177.300 0.119 0.000 1.150 148 P CA 1.616 64.798 63.100 0.137 0.000 0.832 148 P CB 0.064 31.891 31.700 0.212 0.000 0.787 149 S N -0.339 115.424 115.700 0.105 0.000 2.383 149 S HA -0.113 4.564 4.470 0.345 0.000 0.227 149 S C 2.020 176.671 174.600 0.084 0.000 1.026 149 S CA 1.555 59.803 58.200 0.080 0.000 0.981 149 S CB -1.522 61.714 63.200 0.059 0.000 0.818 149 S HN 0.267 nan 8.310 nan 0.000 0.472 150 S N -0.329 115.428 115.700 0.094 0.000 2.528 150 S HA 0.157 4.834 4.470 0.345 0.000 0.219 150 S C 0.492 175.145 174.600 0.089 0.000 0.985 150 S CA -0.629 57.616 58.200 0.075 0.000 0.914 150 S CB -0.969 62.268 63.200 0.062 0.000 0.776 150 S HN 0.617 nan 8.310 nan 0.000 0.526 151 Y N 3.676 123.983 120.300 0.013 0.000 2.712 151 Y HA 0.309 5.065 4.550 0.344 0.000 0.333 151 Y C 0.155 176.058 175.900 0.006 0.000 1.225 151 Y CA 0.027 58.130 58.100 0.004 0.000 1.499 151 Y CB 0.391 38.833 38.460 -0.029 0.000 1.288 151 Y HN 0.061 nan 8.280 nan 0.000 0.575 152 R N 6.667 126.698 120.500 -0.782 0.000 2.533 152 R HA 0.302 4.849 4.340 0.345 0.000 0.288 152 R C -1.904 173.939 176.300 -0.762 0.000 1.039 152 R CA -1.209 54.535 56.100 -0.593 0.000 0.909 152 R CB 1.574 31.732 30.300 -0.237 0.000 1.195 152 R HN 0.767 nan 8.270 nan 0.000 0.438 153 L N 3.113 124.023 121.223 -0.522 0.000 2.281 153 L HA 0.434 4.981 4.340 0.345 0.000 0.285 153 L C 0.177 177.000 176.870 -0.079 0.000 1.074 153 L CA 0.008 54.710 54.840 -0.230 0.000 0.817 153 L CB 0.599 42.648 42.059 -0.017 0.000 1.168 153 L HN 0.530 nan 8.230 nan 0.000 0.434 154 R N 4.817 125.297 120.500 -0.033 0.000 2.294 154 R HA 0.663 5.210 4.340 0.345 0.000 0.319 154 R C -1.576 174.764 176.300 0.067 0.000 0.984 154 R CA -0.571 55.539 56.100 0.017 0.000 0.861 154 R CB 1.454 31.762 30.300 0.015 0.000 1.104 154 R HN 0.608 nan 8.270 nan 0.000 0.451 155 V N 3.584 123.551 119.914 0.089 0.000 2.419 155 V HA 0.320 4.647 4.120 0.345 0.000 0.287 155 V C -1.252 174.933 176.094 0.152 0.000 1.017 155 V CA -0.933 61.448 62.300 0.135 0.000 0.844 155 V CB 1.521 33.436 31.823 0.153 0.000 1.011 155 V HN 0.795 nan 8.190 nan 0.000 0.429 156 D N 5.382 125.881 120.400 0.165 0.000 2.401 156 D HA 0.379 5.226 4.640 0.345 0.000 0.254 156 D C 0.766 177.219 176.300 0.255 0.000 1.192 156 D CA 1.054 55.154 54.000 0.167 0.000 0.885 156 D CB 1.649 42.544 40.800 0.157 0.000 1.147 156 D HN 0.878 nan 8.370 nan 0.000 0.478 157 G N 2.545 111.394 108.800 0.081 0.000 2.616 157 G HA2 0.258 4.426 3.960 0.345 0.000 0.268 157 G HA3 0.258 4.426 3.960 0.345 0.000 0.268 157 G C -1.438 173.305 174.900 -0.261 0.000 1.213 157 G CA -0.923 44.072 45.100 -0.175 0.000 0.926 157 G HN 0.239 nan 8.290 nan 0.000 0.523 158 P HA -0.007 nan 4.420 nan 0.000 0.215 158 P C 1.436 178.651 177.300 -0.142 0.000 1.157 158 P CA 1.649 64.494 63.100 -0.425 0.000 0.868 158 P CB 0.158 31.526 31.700 -0.554 0.000 0.788 159 G N -2.212 106.502 108.800 -0.142 0.000 3.702 159 G HA2 0.414 4.582 3.960 0.345 0.000 0.288 159 G HA3 0.414 4.582 3.960 0.345 0.000 0.288 159 G C 0.863 175.739 174.900 -0.040 0.000 1.193 159 G CA 0.164 45.223 45.100 -0.069 0.000 0.952 159 G HN 0.434 nan 8.290 nan 0.000 0.544 160 G N -1.030 107.755 108.800 -0.024 0.000 2.213 160 G HA2 -0.077 4.090 3.960 0.345 0.000 0.236 160 G HA3 -0.077 4.090 3.960 0.345 0.000 0.236 160 G C 0.908 175.800 174.900 -0.013 0.000 0.991 160 G CA 0.135 45.233 45.100 -0.002 0.000 0.629 160 G HN 1.162 nan 8.290 nan 0.000 0.517 161 G N -0.264 108.510 108.800 -0.044 0.000 2.554 161 G HA2 0.507 4.674 3.960 0.345 0.000 0.238 161 G HA3 0.507 4.674 3.960 0.345 0.000 0.238 161 G C -0.074 174.815 174.900 -0.019 0.000 1.259 161 G CA 1.036 46.111 45.100 -0.042 0.000 0.843 161 G HN 0.673 nan 8.290 nan 0.000 0.582 162 T N 1.548 116.099 114.554 -0.005 0.000 2.824 162 T HA 0.391 4.948 4.350 0.345 0.000 0.282 162 T C -0.270 174.442 174.700 0.020 0.000 0.993 162 T CA -0.389 61.722 62.100 0.018 0.000 0.967 162 T CB 1.480 70.363 68.868 0.024 0.000 0.960 162 T HN 0.342 nan 8.240 nan 0.000 0.441 163 L N 2.998 124.247 121.223 0.043 0.000 2.264 163 L HA 0.594 5.141 4.340 0.345 0.000 0.289 163 L C -0.049 176.860 176.870 0.066 0.000 1.044 163 L CA -0.380 54.499 54.840 0.065 0.000 0.807 163 L CB 1.315 43.435 42.059 0.103 0.000 1.192 163 L HN 0.623 nan 8.230 nan 0.000 0.425 164 S N 6.377 122.110 115.700 0.055 0.000 2.601 164 S HA 0.501 5.179 4.470 0.345 0.000 0.312 164 S C -0.658 173.964 174.600 0.037 0.000 1.107 164 S CA -0.666 57.550 58.200 0.026 0.000 1.129 164 S CB 0.269 63.472 63.200 0.004 0.000 0.982 164 S HN 0.542 nan 8.310 nan 0.000 0.469 165 L N 4.575 125.822 121.223 0.040 0.000 2.289 165 L HA 0.484 5.031 4.340 0.345 0.000 0.285 165 L C 0.833 177.712 176.870 0.015 0.000 1.049 165 L CA -0.574 54.308 54.840 0.072 0.000 0.804 165 L CB 1.764 43.911 42.059 0.148 0.000 1.195 165 L HN 0.743 nan 8.230 nan 0.000 0.428 166 S N 2.211 117.934 115.700 0.039 0.000 2.669 166 S HA 0.205 4.883 4.470 0.345 0.000 0.270 166 S C 0.816 175.480 174.600 0.106 0.000 1.225 166 S CA -0.728 57.500 58.200 0.047 0.000 0.991 166 S CB 1.280 64.502 63.200 0.037 0.000 0.987 166 S HN 0.561 nan 8.310 nan 0.000 0.552 167 L N 1.304 122.618 121.223 0.152 0.000 2.079 167 L HA 0.048 4.595 4.340 0.345 0.000 0.210 167 L C 2.582 179.430 176.870 -0.036 0.000 1.081 167 L CA 2.324 57.208 54.840 0.073 0.000 0.752 167 L CB -1.395 40.672 42.059 0.013 0.000 0.896 167 L HN 0.946 nan 8.230 nan 0.000 0.433 168 A N -1.151 121.660 122.820 -0.015 0.000 1.969 168 A HA -0.170 4.357 4.320 0.345 0.000 0.218 168 A C 2.157 179.723 177.584 -0.030 0.000 1.169 168 A CA 1.567 53.580 52.037 -0.041 0.000 0.635 168 A CB -0.454 18.534 19.000 -0.020 0.000 0.810 168 A HN 0.586 nan 8.150 nan 0.000 0.445 169 E N -0.800 119.406 120.200 0.010 0.000 2.112 169 E HA -0.097 4.460 4.350 0.345 0.000 0.190 169 E C 1.861 178.516 176.600 0.093 0.000 0.979 169 E CA 0.851 57.262 56.400 0.018 0.000 0.814 169 E CB -0.173 29.557 29.700 0.050 0.000 0.762 169 E HN 0.472 nan 8.360 nan 0.000 0.460 170 L N 1.283 122.608 121.223 0.170 0.000 2.083 170 L HA -0.140 4.407 4.340 0.345 0.000 0.209 170 L C 2.079 179.117 176.870 0.280 0.000 1.083 170 L CA 1.666 56.700 54.840 0.323 0.000 0.752 170 L CB -0.055 42.131 42.059 0.212 0.000 0.899 170 L HN -0.074 nan 8.230 nan 0.000 0.433 171 R N -1.166 119.326 120.500 -0.013 0.000 2.075 171 R HA -0.051 4.496 4.340 0.345 0.000 0.226 171 R C 2.401 178.717 176.300 0.027 0.000 1.114 171 R CA 1.393 57.428 56.100 -0.109 0.000 0.972 171 R CB -0.347 29.747 30.300 -0.342 0.000 0.869 171 R HN 0.597 nan 8.270 nan 0.000 0.437 172 S N 0.240 115.928 115.700 -0.020 0.000 2.421 172 S HA -0.054 4.623 4.470 0.345 0.000 0.224 172 S C 2.019 176.545 174.600 -0.122 0.000 1.035 172 S CA 0.298 58.468 58.200 -0.051 0.000 0.953 172 S CB 0.043 63.205 63.200 -0.064 0.000 0.810 172 S HN 0.185 nan 8.310 nan 0.000 0.497 173 R N -0.184 120.162 120.500 -0.255 0.000 2.193 173 R HA 0.225 4.772 4.340 0.345 0.000 0.213 173 R C -0.826 175.000 176.300 -0.791 0.000 1.055 173 R CA 0.479 56.214 56.100 -0.608 0.000 0.995 173 R CB 0.044 29.781 30.300 -0.938 0.000 0.893 173 R HN 0.428 nan 8.270 nan 0.000 0.459 174 F N 0.970 120.905 119.950 -0.023 0.000 2.495 174 F HA 0.449 5.184 4.527 0.347 0.000 0.327 174 F C -2.085 173.741 175.800 0.042 0.000 1.103 174 F CA -3.408 54.593 58.000 0.002 0.000 0.949 174 F CB 1.318 40.333 39.000 0.025 0.000 1.142 174 F HN -0.135 nan 8.300 nan 0.000 0.457 175 P HA 0.075 nan 4.420 nan 0.000 0.271 175 P C -0.558 176.843 177.300 0.169 0.000 1.220 175 P CA -0.500 62.679 63.100 0.132 0.000 0.768 175 P CB 0.637 32.387 31.700 0.083 0.000 0.848 176 K N 3.016 123.520 120.400 0.174 0.000 2.382 176 K HA 0.079 4.607 4.320 0.345 0.000 0.275 176 K C -0.367 176.339 176.600 0.177 0.000 1.009 176 K CA -0.064 56.328 56.287 0.175 0.000 0.970 176 K CB 0.229 32.841 32.500 0.186 0.000 0.934 176 K HN 0.636 nan 8.250 nan 0.000 0.479 177 H N 2.790 121.858 119.070 -0.002 0.000 2.771 177 H HA 0.224 4.987 4.556 0.345 0.000 0.361 177 H C -1.277 174.040 175.328 -0.019 0.000 1.108 177 H CA -0.796 55.252 56.048 0.000 0.000 1.201 177 H CB 1.399 31.160 29.762 -0.001 0.000 1.681 177 H HN 0.692 nan 8.280 nan 0.000 0.534 178 E N 3.872 123.915 120.200 -0.261 0.000 2.179 178 E HA 0.419 4.976 4.350 0.345 0.000 0.275 178 E C -0.993 175.396 176.600 -0.353 0.000 0.945 178 E CA -1.142 55.114 56.400 -0.239 0.000 0.792 178 E CB 3.173 32.824 29.700 -0.083 0.000 1.125 178 E HN 0.184 nan 8.360 nan 0.000 0.397 179 V N 2.225 122.025 119.914 -0.189 0.000 2.612 179 V HA 0.171 4.498 4.120 0.345 0.000 0.301 179 V C -0.325 175.836 176.094 0.112 0.000 1.059 179 V CA -0.813 61.450 62.300 -0.061 0.000 0.886 179 V CB 2.153 33.892 31.823 -0.141 0.000 1.007 179 V HN 0.680 nan 8.190 nan 0.000 0.426 180 T N 4.860 119.513 114.554 0.164 0.000 2.723 180 T HA 0.672 5.229 4.350 0.345 0.000 0.297 180 T C 0.116 174.974 174.700 0.263 0.000 0.925 180 T CA 0.071 62.264 62.100 0.156 0.000 1.030 180 T CB 0.809 69.796 68.868 0.199 0.000 0.905 180 T HN 0.981 nan 8.240 nan 0.000 0.502 181 A N 3.274 126.249 122.820 0.258 0.000 2.475 181 A HA 0.738 5.265 4.320 0.345 0.000 0.301 181 A C -0.018 177.648 177.584 0.136 0.000 1.059 181 A CA -0.835 51.369 52.037 0.277 0.000 0.710 181 A CB 1.498 20.606 19.000 0.181 0.000 1.288 181 A HN 0.574 nan 8.150 nan 0.000 0.408 182 T N 2.496 117.010 114.554 -0.066 0.000 2.767 182 T HA 0.527 5.084 4.350 0.345 0.000 0.284 182 T C -0.313 174.125 174.700 -0.436 0.000 0.973 182 T CA 0.003 61.810 62.100 -0.487 0.000 0.996 182 T CB 0.182 68.478 68.868 -0.953 0.000 0.927 182 T HN 0.425 nan 8.240 nan 0.000 0.456 183 L N 3.720 124.757 121.223 -0.311 0.000 2.275 183 L HA 0.516 5.064 4.340 0.345 0.000 0.288 183 L C 0.280 176.923 176.870 -0.378 0.000 1.046 183 L CA -0.561 54.149 54.840 -0.218 0.000 0.805 183 L CB 1.292 43.400 42.059 0.082 0.000 1.193 183 L HN 0.501 nan 8.230 nan 0.000 0.426 184 Q N 2.734 122.248 119.800 -0.477 0.000 2.330 184 Q HA 0.302 4.849 4.340 0.345 0.000 0.269 184 Q C -1.051 174.730 176.000 -0.364 0.000 1.022 184 Q CA -0.622 54.849 55.803 -0.553 0.000 0.796 184 Q CB 2.429 30.815 28.738 -0.588 0.000 1.271 184 Q HN 0.788 nan 8.270 nan 0.000 0.450 185 C N 2.546 121.526 119.300 -0.533 0.000 2.656 185 C HA 0.520 5.187 4.460 0.345 0.000 0.391 185 C C 1.824 176.632 174.990 -0.303 0.000 1.300 185 C CA 0.436 59.214 59.018 -0.400 0.000 2.302 185 C CB 0.098 27.428 27.740 -0.684 0.000 2.655 185 C HN 1.021 nan 8.230 nan 0.000 0.656 186 A N 2.938 125.646 122.820 -0.186 0.000 2.015 186 A HA 0.113 4.640 4.320 0.345 0.000 0.219 186 A C 1.902 179.500 177.584 0.023 0.000 1.163 186 A CA 1.767 53.780 52.037 -0.040 0.000 0.646 186 A CB -0.813 18.212 19.000 0.041 0.000 0.806 186 A HN 1.353 nan 8.150 nan 0.000 0.448 187 G N -0.496 108.305 108.800 0.001 0.000 3.233 187 G HA2 0.126 4.293 3.960 0.345 0.000 0.227 187 G HA3 0.126 4.293 3.960 0.345 0.000 0.227 187 G C 0.339 175.207 174.900 -0.054 0.000 1.175 187 G CA -0.115 45.055 45.100 0.117 0.000 0.781 187 G HN 0.452 nan 8.290 nan 0.000 0.542 188 N N 1.283 119.821 118.700 -0.271 0.000 2.411 188 N HA 0.008 4.956 4.740 0.345 0.000 0.261 188 N C 1.029 176.523 175.510 -0.027 0.000 1.248 188 N CA 0.219 53.110 53.050 -0.265 0.000 0.885 188 N CB -0.017 38.288 38.487 -0.302 0.000 1.062 188 N HN 0.334 nan 8.380 nan 0.000 0.471 189 R N 0.402 120.934 120.500 0.053 0.000 3.776 189 R HA -0.252 4.296 4.340 0.345 0.000 0.312 189 R C 1.134 177.511 176.300 0.128 0.000 1.181 189 R CA 0.926 57.082 56.100 0.094 0.000 0.836 189 R CB -1.580 28.759 30.300 0.065 0.000 1.324 189 R HN 0.694 nan 8.270 nan 0.000 0.501 190 R N 1.364 121.969 120.500 0.176 0.000 2.096 190 R HA -0.140 4.407 4.340 0.345 0.000 0.235 190 R C 2.013 178.405 176.300 0.153 0.000 1.127 190 R CA 2.150 58.352 56.100 0.170 0.000 0.968 190 R CB -0.105 30.337 30.300 0.237 0.000 0.861 190 R HN 0.447 nan 8.270 nan 0.000 0.440 191 S N 0.235 116.029 115.700 0.158 0.000 2.399 191 S HA -0.156 4.521 4.470 0.345 0.000 0.231 191 S C 1.643 176.329 174.600 0.143 0.000 1.022 191 S CA 1.311 59.593 58.200 0.137 0.000 0.983 191 S CB -0.238 63.034 63.200 0.119 0.000 0.803 191 S HN 0.488 nan 8.310 nan 0.000 0.480 192 E N 0.854 121.142 120.200 0.147 0.000 2.085 192 E HA -0.138 4.419 4.350 0.345 0.000 0.194 192 E C 2.075 178.776 176.600 0.168 0.000 0.994 192 E CA 1.501 57.993 56.400 0.155 0.000 0.801 192 E CB -0.271 29.527 29.700 0.164 0.000 0.743 192 E HN 0.595 nan 8.360 nan 0.000 0.453 193 M N 0.252 119.955 119.600 0.172 0.000 2.132 193 M HA -0.163 4.524 4.480 0.345 0.000 0.263 193 M C 2.332 178.820 176.300 0.313 0.000 1.065 193 M CA 1.163 56.598 55.300 0.224 0.000 1.122 193 M CB 0.095 32.763 32.600 0.112 0.000 1.365 193 M HN -0.041 nan 8.290 nan 0.000 0.411 194 S N 0.261 116.104 115.700 0.239 0.000 2.374 194 S HA -0.154 4.523 4.470 0.345 0.000 0.227 194 S C 1.756 176.495 174.600 0.230 0.000 1.037 194 S CA 1.320 59.674 58.200 0.256 0.000 1.024 194 S CB -0.288 63.018 63.200 0.178 0.000 0.861 194 S HN 0.511 nan 8.310 nan 0.000 0.456 195 R N 0.080 120.688 120.500 0.180 0.000 2.148 195 R HA -0.001 4.546 4.340 0.345 0.000 0.227 195 R C 2.104 178.475 176.300 0.120 0.000 1.103 195 R CA 0.948 57.128 56.100 0.133 0.000 0.983 195 R CB -0.368 29.999 30.300 0.112 0.000 0.874 195 R HN 0.296 nan 8.270 nan 0.000 0.451 196 V N 0.294 120.300 119.914 0.153 0.000 2.379 196 V HA -0.112 4.215 4.120 0.345 0.000 0.245 196 V C 1.030 177.130 176.094 0.011 0.000 1.044 196 V CA 1.258 63.612 62.300 0.089 0.000 1.036 196 V CB -0.324 31.581 31.823 0.136 0.000 0.664 196 V HN 0.258 nan 8.190 nan 0.000 0.453 197 R N -0.447 120.123 120.500 0.116 0.000 2.563 197 R HA 0.290 4.838 4.340 0.345 0.000 0.262 197 R C -3.194 173.341 176.300 0.392 0.000 1.128 197 R CA -1.504 54.621 56.100 0.041 0.000 0.969 197 R CB 2.207 32.210 30.300 -0.494 0.000 1.251 197 R HN 0.010 nan 8.270 nan 0.000 0.442 198 P HA -0.005 nan 4.420 nan 0.000 0.266 198 P C -0.829 176.752 177.300 0.468 0.000 1.195 198 P CA -0.234 63.060 63.100 0.324 0.000 0.768 198 P CB 0.749 32.577 31.700 0.214 0.000 0.838 199 V N -0.268 119.853 119.914 0.345 0.000 3.102 199 V HA 0.569 4.896 4.120 0.345 0.000 0.312 199 V C -0.429 175.823 176.094 0.263 0.000 1.135 199 V CA -1.315 61.163 62.300 0.296 0.000 1.022 199 V CB 2.162 34.052 31.823 0.112 0.000 1.056 199 V HN 0.348 nan 8.190 nan 0.000 0.436 200 K N 1.376 121.976 120.400 0.333 0.000 2.276 200 K HA 0.708 5.235 4.320 0.345 0.000 0.285 200 K C -0.071 176.664 176.600 0.226 0.000 1.062 200 K CA 0.712 57.154 56.287 0.258 0.000 0.918 200 K CB 0.604 33.279 32.500 0.292 0.000 1.055 200 K HN 1.772 nan 8.250 nan 0.000 0.477 201 G N 2.781 111.679 108.800 0.162 0.000 2.345 201 G HA2 0.046 4.213 3.960 0.345 0.000 0.310 201 G HA3 0.046 4.213 3.960 0.345 0.000 0.310 201 G C -1.300 173.644 174.900 0.074 0.000 1.476 201 G CA -1.125 44.072 45.100 0.163 0.000 0.978 201 G HN 0.560 nan 8.290 nan 0.000 0.656 202 L N 1.646 122.875 121.223 0.009 0.000 2.490 202 L HA 0.245 4.792 4.340 0.345 0.000 0.274 202 L C -1.272 175.460 176.870 -0.230 0.000 1.201 202 L CA -1.083 53.622 54.840 -0.226 0.000 0.869 202 L CB 0.704 42.441 42.059 -0.538 0.000 1.123 202 L HN 0.367 nan 8.230 nan 0.000 0.484 203 P HA -0.016 nan 4.420 nan 0.000 0.230 203 P C -0.913 176.358 177.300 -0.048 0.000 1.791 203 P CA -0.328 62.735 63.100 -0.063 0.000 1.020 203 P CB -0.360 31.317 31.700 -0.038 0.000 1.977 204 W N 1.518 122.832 121.300 0.023 0.000 2.181 204 W HA 0.109 4.970 4.660 0.335 0.000 0.335 204 W C 1.222 177.743 176.519 0.004 0.000 1.310 204 W CA -0.062 57.280 57.345 -0.005 0.000 1.226 204 W CB 0.290 29.728 29.460 -0.037 0.000 1.155 204 W HN 0.255 nan 8.180 nan 0.000 0.565 205 D N 1.498 122.054 120.400 0.260 0.000 2.350 205 D HA 0.125 4.972 4.640 0.345 0.000 0.272 205 D C 1.275 177.645 176.300 0.117 0.000 1.204 205 D CA -0.321 53.775 54.000 0.159 0.000 1.124 205 D CB 0.300 41.175 40.800 0.125 0.000 1.189 205 D HN 0.349 nan 8.370 nan 0.000 0.556 206 I N -2.115 118.494 120.570 0.065 0.000 3.646 206 I HA 0.408 4.785 4.170 0.345 0.000 0.301 206 I C 1.069 177.225 176.117 0.065 0.000 1.276 206 I CA 0.055 61.378 61.300 0.038 0.000 1.254 206 I CB -0.157 37.813 38.000 -0.050 0.000 1.020 206 I HN 0.198 nan 8.210 nan 0.000 0.473 207 G N 0.999 109.804 108.800 0.008 0.000 3.393 207 G HA2 0.455 4.622 3.960 0.345 0.000 0.255 207 G HA3 0.455 4.622 3.960 0.345 0.000 0.255 207 G C 0.800 175.472 174.900 -0.379 0.000 1.097 207 G CA 0.256 45.304 45.100 -0.087 0.000 0.780 207 G HN 0.470 nan 8.290 nan 0.000 0.540 208 A N 0.951 123.373 122.820 -0.663 0.000 3.118 208 A HA 0.688 5.215 4.320 0.345 0.000 0.256 208 A C -0.263 176.249 177.584 -1.786 0.000 1.667 208 A CA -0.217 50.852 52.037 -1.613 0.000 1.338 208 A CB -0.605 17.237 19.000 -1.930 0.000 1.127 208 A HN 0.504 nan 8.150 nan 0.000 0.634 209 I N -0.705 118.994 120.570 -1.452 0.000 2.752 209 I HA 0.477 4.854 4.170 0.345 0.000 0.290 209 I C -1.283 174.340 176.117 -0.824 0.000 1.507 209 I CA 0.096 60.777 61.300 -1.032 0.000 1.038 209 I CB 1.913 39.400 38.000 -0.854 0.000 1.390 209 I HN 0.202 nan 8.210 nan 0.000 0.435 210 S N 2.935 118.058 115.700 -0.962 0.000 2.587 210 S HA 0.637 5.314 4.470 0.345 0.000 0.269 210 S C -1.272 172.526 174.600 -1.337 0.000 1.154 210 S CA -0.585 56.840 58.200 -1.292 0.000 0.824 210 S CB 2.330 64.511 63.200 -1.699 0.000 1.118 210 S HN 0.661 nan 8.310 nan 0.000 0.462 211 T N 1.484 115.362 114.554 -1.127 0.000 2.893 211 T HA 0.916 5.473 4.350 0.345 0.000 0.291 211 T C -0.884 173.615 174.700 -0.335 0.000 1.028 211 T CA -0.513 61.115 62.100 -0.787 0.000 0.995 211 T CB 1.721 69.803 68.868 -1.310 0.000 1.051 211 T HN 0.996 nan 8.240 nan 0.000 0.470 212 A N 1.903 124.495 122.820 -0.380 0.000 2.605 212 A HA 0.766 5.293 4.320 0.345 0.000 0.294 212 A C -1.018 176.098 177.584 -0.780 0.000 1.062 212 A CA -0.997 50.629 52.037 -0.686 0.000 0.682 212 A CB 1.342 19.599 19.000 -1.239 0.000 1.278 212 A HN 0.792 nan 8.150 nan 0.000 0.410 213 R N 1.072 121.217 120.500 -0.591 0.000 2.210 213 R HA 0.470 5.017 4.340 0.345 0.000 0.338 213 R C -1.509 174.494 176.300 -0.495 0.000 1.062 213 R CA -0.019 55.860 56.100 -0.368 0.000 0.902 213 R CB 0.244 30.442 30.300 -0.171 0.000 1.050 213 R HN 0.619 nan 8.270 nan 0.000 0.461 214 W N 2.761 123.950 121.300 -0.186 0.000 2.512 214 W HA 0.592 5.458 4.660 0.345 0.000 0.335 214 W C 0.387 176.754 176.519 -0.253 0.000 1.088 214 W CA -0.824 56.377 57.345 -0.240 0.000 1.236 214 W CB 1.961 31.255 29.460 -0.277 0.000 1.307 214 W HN 0.715 nan 8.180 nan 0.000 0.567 215 G N 0.520 109.289 108.800 -0.052 0.000 2.643 215 G HA2 0.708 4.875 3.960 0.345 0.000 0.305 215 G HA3 0.708 4.875 3.960 0.345 0.000 0.305 215 G C -0.849 173.734 174.900 -0.528 0.000 1.387 215 G CA -0.390 44.589 45.100 -0.200 0.000 0.982 215 G HN 0.847 nan 8.290 nan 0.000 0.501 216 G N -0.529 107.945 108.800 -0.544 0.000 2.428 216 G HA2 0.705 4.873 3.960 0.345 0.000 0.304 216 G HA3 0.705 4.873 3.960 0.345 0.000 0.304 216 G C -0.898 173.827 174.900 -0.291 0.000 1.303 216 G CA 0.142 44.718 45.100 -0.873 0.000 0.825 216 G HN 1.473 nan 8.290 nan 0.000 0.484 217 A N 0.016 122.757 122.820 -0.132 0.000 2.363 217 A HA 0.688 5.215 4.320 0.345 0.000 0.270 217 A C 0.677 178.213 177.584 -0.080 0.000 1.121 217 A CA -0.305 51.738 52.037 0.010 0.000 0.800 217 A CB 0.192 19.200 19.000 0.013 0.000 1.052 217 A HN 0.625 nan 8.150 nan 0.000 0.493 218 R N 2.045 122.526 120.500 -0.032 0.000 2.489 218 R HA 0.076 4.623 4.340 0.345 0.000 0.287 218 R C 1.100 177.323 176.300 -0.129 0.000 1.053 218 R CA -0.328 55.740 56.100 -0.054 0.000 1.036 218 R CB 0.418 30.701 30.300 -0.029 0.000 0.966 218 R HN 0.841 nan 8.270 nan 0.000 0.432 219 L N 3.539 124.684 121.223 -0.131 0.000 2.079 219 L HA -0.253 4.294 4.340 0.345 0.000 0.210 219 L C 2.654 179.456 176.870 -0.114 0.000 1.081 219 L CA 1.713 56.475 54.840 -0.130 0.000 0.752 219 L CB -0.255 41.747 42.059 -0.096 0.000 0.896 219 L HN 0.701 nan 8.230 nan 0.000 0.433 220 R N 0.077 120.519 120.500 -0.096 0.000 2.097 220 R HA -0.249 4.298 4.340 0.345 0.000 0.236 220 R C 1.851 178.135 176.300 -0.027 0.000 1.135 220 R CA 2.446 58.501 56.100 -0.075 0.000 0.934 220 R CB -0.374 29.891 30.300 -0.059 0.000 0.846 220 R HN 0.383 nan 8.270 nan 0.000 0.431 221 D N -0.174 120.217 120.400 -0.015 0.000 2.158 221 D HA -0.138 4.709 4.640 0.345 0.000 0.197 221 D C 1.949 178.291 176.300 0.069 0.000 0.995 221 D CA 1.321 55.367 54.000 0.078 0.000 0.846 221 D CB -0.135 40.754 40.800 0.148 0.000 0.941 221 D HN 0.165 nan 8.370 nan 0.000 0.456 222 V N 0.716 120.493 119.914 -0.228 0.000 2.358 222 V HA -0.170 4.157 4.120 0.345 0.000 0.246 222 V C 2.580 178.715 176.094 0.067 0.000 1.047 222 V CA 1.016 63.119 62.300 -0.329 0.000 1.035 222 V CB -0.318 31.224 31.823 -0.468 0.000 0.658 222 V HN 0.181 nan 8.190 nan 0.000 0.452 223 L N -0.919 120.348 121.223 0.072 0.000 2.109 223 L HA -0.091 4.456 4.340 0.345 0.000 0.207 223 L C 2.373 179.409 176.870 0.276 0.000 1.086 223 L CA 1.161 56.132 54.840 0.218 0.000 0.760 223 L CB -0.435 41.657 42.059 0.056 0.000 0.910 223 L HN 0.279 nan 8.230 nan 0.000 0.437 224 L N -0.766 120.567 121.223 0.184 0.000 2.012 224 L HA -0.287 4.260 4.340 0.345 0.000 0.210 224 L C 2.718 179.705 176.870 0.194 0.000 1.073 224 L CA 1.446 56.390 54.840 0.173 0.000 0.748 224 L CB -0.739 41.401 42.059 0.136 0.000 0.891 224 L HN 0.336 nan 8.230 nan 0.000 0.431 225 H N 0.277 119.454 119.070 0.178 0.000 2.353 225 H HA -0.129 4.634 4.556 0.345 0.000 0.300 225 H C 2.027 177.431 175.328 0.127 0.000 1.090 225 H CA 1.488 57.651 56.048 0.191 0.000 1.327 225 H CB 0.024 30.018 29.762 0.385 0.000 1.383 225 H HN 0.280 nan 8.280 nan 0.000 0.508 226 A N -1.081 121.766 122.820 0.044 0.000 2.216 226 A HA 0.220 4.747 4.320 0.345 0.000 0.214 226 A C 2.079 179.522 177.584 -0.235 0.000 1.160 226 A CA 1.208 53.201 52.037 -0.075 0.000 0.725 226 A CB -0.756 18.321 19.000 0.128 0.000 0.784 226 A HN 0.855 nan 8.150 nan 0.000 0.472 227 G N -2.673 106.018 108.800 -0.181 0.000 2.211 227 G HA2 -0.172 3.995 3.960 0.345 0.000 0.201 227 G HA3 -0.172 3.995 3.960 0.345 0.000 0.201 227 G C 0.023 174.777 174.900 -0.242 0.000 0.997 227 G CA -0.158 44.791 45.100 -0.252 0.000 0.652 227 G HN 0.279 nan 8.290 nan 0.000 0.500 228 F N 2.982 122.933 119.950 0.002 0.000 2.450 228 F HA 0.511 5.246 4.527 0.346 0.000 0.339 228 F C -0.707 175.114 175.800 0.036 0.000 1.146 228 F CA -1.405 56.608 58.000 0.023 0.000 1.267 228 F CB 0.484 39.546 39.000 0.104 0.000 1.178 228 F HN -0.041 nan 8.300 nan 0.000 0.585 229 P HA 0.175 nan 4.420 nan 0.000 0.280 229 P C 0.094 177.508 177.300 0.191 0.000 1.272 229 P CA -0.399 62.781 63.100 0.134 0.000 0.819 229 P CB 1.069 32.796 31.700 0.045 0.000 1.122 230 E N 0.305 120.576 120.200 0.119 0.000 2.070 230 E HA -0.157 4.400 4.350 0.345 0.000 0.197 230 E C 0.505 177.212 176.600 0.178 0.000 1.004 230 E CA 1.654 58.118 56.400 0.107 0.000 0.805 230 E CB 0.105 29.843 29.700 0.063 0.000 0.744 230 E HN 0.666 nan 8.360 nan 0.000 0.451 231 E N -0.379 119.910 120.200 0.149 0.000 2.393 231 E HA 0.664 5.221 4.350 0.345 0.000 0.273 231 E C -0.688 175.891 176.600 -0.036 0.000 0.918 231 E CA -0.626 55.854 56.400 0.132 0.000 0.773 231 E CB 1.940 31.687 29.700 0.079 0.000 1.275 231 E HN -0.113 nan 8.360 nan 0.000 0.451 232 L N 1.018 122.151 121.223 -0.151 0.000 2.388 232 L HA 0.350 4.898 4.340 0.345 0.000 0.264 232 L C -0.480 176.351 176.870 -0.065 0.000 0.998 232 L CA -1.260 53.385 54.840 -0.326 0.000 0.817 232 L CB 2.379 43.847 42.059 -0.985 0.000 1.338 232 L HN 0.581 nan 8.230 nan 0.000 0.414 233 Q N 1.266 121.072 119.800 0.011 0.000 2.300 233 Q HA 0.453 5.000 4.340 0.345 0.000 0.280 233 Q C 0.459 176.589 176.000 0.215 0.000 1.033 233 Q CA 1.560 57.425 55.803 0.104 0.000 0.903 233 Q CB 0.859 29.660 28.738 0.103 0.000 1.195 233 Q HN 0.770 nan 8.270 nan 0.000 0.386 234 G N 3.283 112.159 108.800 0.127 0.000 2.697 234 G HA2 -0.269 3.898 3.960 0.345 0.000 0.240 234 G HA3 -0.269 3.898 3.960 0.345 0.000 0.240 234 G C -1.103 173.857 174.900 0.101 0.000 1.346 234 G CA -0.162 44.990 45.100 0.087 0.000 0.887 234 G HN 0.694 nan 8.290 nan 0.000 0.569 235 E N -0.354 119.827 120.200 -0.033 0.000 2.130 235 E HA 0.469 5.026 4.350 0.345 0.000 0.284 235 E C -0.695 175.729 176.600 -0.294 0.000 1.018 235 E CA -0.193 56.145 56.400 -0.104 0.000 0.817 235 E CB 0.917 30.562 29.700 -0.092 0.000 1.078 235 E HN 0.399 nan 8.360 nan 0.000 0.396 236 W N 1.262 122.357 121.300 -0.342 0.000 2.762 236 W HA 0.367 5.234 4.660 0.345 0.000 0.355 236 W C 0.361 176.539 176.519 -0.569 0.000 1.124 236 W CA -0.365 56.777 57.345 -0.338 0.000 1.141 236 W CB 1.197 30.431 29.460 -0.376 0.000 1.432 236 W HN 0.434 nan 8.180 nan 0.000 0.586 237 H N -0.125 119.084 119.070 0.232 0.000 2.895 237 H HA 0.546 5.310 4.556 0.348 0.000 0.373 237 H C -1.281 174.078 175.328 0.051 0.000 1.174 237 H CA -0.853 55.257 56.048 0.104 0.000 1.144 237 H CB 1.869 31.622 29.762 -0.013 0.000 1.793 237 H HN 0.006 nan 8.280 nan 0.000 0.551 238 V N 2.147 122.064 119.914 0.004 0.000 2.370 238 V HA 0.190 4.517 4.120 0.345 0.000 0.283 238 V C 0.192 175.906 176.094 -0.634 0.000 1.023 238 V CA -0.421 61.727 62.300 -0.254 0.000 0.857 238 V CB 0.855 32.508 31.823 -0.282 0.000 0.985 238 V HN 0.755 nan 8.190 nan 0.000 0.443 239 C N 5.571 124.543 119.300 -0.546 0.000 2.366 239 C HA 0.799 5.466 4.460 0.345 0.000 0.345 239 C C -0.385 174.267 174.990 -0.562 0.000 1.209 239 C CA -0.707 57.981 59.018 -0.551 0.000 2.050 239 C CB 0.575 28.203 27.740 -0.187 0.000 2.359 239 C HN 0.691 nan 8.230 nan 0.000 0.527 240 F N 0.943 120.909 119.950 0.028 0.000 2.565 240 F HA 0.571 5.303 4.527 0.341 0.000 0.313 240 F C 0.161 175.995 175.800 0.057 0.000 1.091 240 F CA -0.862 57.161 58.000 0.038 0.000 0.915 240 F CB 1.065 40.083 39.000 0.029 0.000 1.208 240 F HN 0.503 nan 8.300 nan 0.000 0.453 241 E N 0.548 120.917 120.200 0.281 0.000 2.248 241 E HA 0.611 5.168 4.350 0.345 0.000 0.267 241 E C -0.349 176.396 176.600 0.242 0.000 0.877 241 E CA -0.899 55.633 56.400 0.220 0.000 0.759 241 E CB 2.689 32.487 29.700 0.164 0.000 1.182 241 E HN 0.828 nan 8.360 nan 0.000 0.418 242 G N 1.158 110.128 108.800 0.283 0.000 2.491 242 G HA2 0.356 4.524 3.960 0.345 0.000 0.327 242 G HA3 0.356 4.524 3.960 0.345 0.000 0.327 242 G C 0.388 175.456 174.900 0.280 0.000 1.189 242 G CA -0.560 44.731 45.100 0.319 0.000 0.956 242 G HN 0.481 nan 8.290 nan 0.000 0.491 243 L N 0.101 121.502 121.223 0.297 0.000 2.554 243 L HA 0.130 4.678 4.340 0.345 0.000 0.226 243 L C 0.513 177.441 176.870 0.097 0.000 1.137 243 L CA -0.036 54.916 54.840 0.186 0.000 0.863 243 L CB -0.215 41.953 42.059 0.183 0.000 0.985 243 L HN 0.538 nan 8.230 nan 0.000 0.451 244 D N 0.761 121.232 120.400 0.118 0.000 2.304 244 D HA 0.414 5.262 4.640 0.345 0.000 0.250 244 D C -0.231 176.138 176.300 0.114 0.000 1.107 244 D CA -0.116 53.895 54.000 0.018 0.000 0.885 244 D CB 2.050 42.823 40.800 -0.045 0.000 1.192 244 D HN -0.016 nan 8.370 nan 0.000 0.436 245 A N 2.078 124.946 122.820 0.080 0.000 2.498 245 A HA 0.512 5.039 4.320 0.345 0.000 0.298 245 A C -0.673 176.978 177.584 0.111 0.000 1.075 245 A CA -0.907 51.200 52.037 0.117 0.000 0.714 245 A CB 1.444 20.496 19.000 0.087 0.000 1.299 245 A HN 0.694 nan 8.150 nan 0.000 0.407 246 D N 1.161 121.643 120.400 0.137 0.000 2.398 246 D HA 0.378 5.225 4.640 0.345 0.000 0.247 246 D C -1.639 174.700 176.300 0.066 0.000 1.227 246 D CA -1.298 52.770 54.000 0.114 0.000 0.980 246 D CB 0.086 40.959 40.800 0.122 0.000 1.106 246 D HN 0.124 nan 8.370 nan 0.000 0.493 247 P HA -0.063 nan 4.420 nan 0.000 0.216 247 P C 1.489 178.804 177.300 0.024 0.000 1.153 247 P CA 1.814 64.931 63.100 0.029 0.000 0.858 247 P CB -0.266 31.445 31.700 0.019 0.000 0.789 248 G N -1.287 107.527 108.800 0.022 0.000 2.708 248 G HA2 0.125 4.292 3.960 0.345 0.000 0.210 248 G HA3 0.125 4.292 3.960 0.345 0.000 0.210 248 G C 1.187 176.102 174.900 0.026 0.000 1.141 248 G CA 0.656 45.767 45.100 0.017 0.000 0.788 248 G HN 0.515 nan 8.290 nan 0.000 0.531 249 G N -1.535 107.289 108.800 0.040 0.000 2.157 249 G HA2 0.101 4.268 3.960 0.345 0.000 0.248 249 G HA3 0.101 4.268 3.960 0.345 0.000 0.248 249 G C 0.465 175.404 174.900 0.064 0.000 0.979 249 G CA 0.230 45.359 45.100 0.049 0.000 0.650 249 G HN 1.387 nan 8.290 nan 0.000 0.529 250 A N 1.661 124.523 122.820 0.070 0.000 2.404 250 A HA 0.682 5.209 4.320 0.345 0.000 0.273 250 A C -0.925 176.747 177.584 0.147 0.000 1.144 250 A CA -0.580 51.509 52.037 0.086 0.000 0.806 250 A CB 0.543 19.580 19.000 0.061 0.000 1.080 250 A HN 0.287 nan 8.150 nan 0.000 0.509 251 P HA 0.108 nan 4.420 nan 0.000 0.276 251 P C -0.695 176.779 177.300 0.290 0.000 1.261 251 P CA -0.225 63.001 63.100 0.210 0.000 0.800 251 P CB 0.472 32.278 31.700 0.177 0.000 1.066 252 Y N 0.200 120.632 120.300 0.219 0.000 2.346 252 Y HA 0.472 5.214 4.550 0.319 0.000 0.330 252 Y C 0.449 176.473 175.900 0.206 0.000 1.178 252 Y CA 1.089 59.310 58.100 0.202 0.000 1.331 252 Y CB 0.282 38.760 38.460 0.030 0.000 1.253 252 Y HN 0.628 nan 8.280 nan 0.000 0.529 253 G N 2.156 110.625 108.800 -0.552 0.000 2.677 253 G HA2 0.770 4.937 3.960 0.345 0.000 0.291 253 G HA3 0.770 4.937 3.960 0.345 0.000 0.291 253 G C -2.115 172.610 174.900 -0.291 0.000 1.435 253 G CA -0.350 44.627 45.100 -0.205 0.000 0.826 253 G HN 1.064 nan 8.290 nan 0.000 0.491 254 A N -0.408 122.411 122.820 -0.002 0.000 2.557 254 A HA 1.009 5.537 4.320 0.345 0.000 0.292 254 A C -0.295 177.314 177.584 0.042 0.000 1.139 254 A CA 0.216 52.286 52.037 0.055 0.000 0.665 254 A CB 1.329 20.434 19.000 0.176 0.000 1.285 254 A HN 2.399 nan 8.150 nan 0.000 0.433 255 S N -1.028 114.674 115.700 0.004 0.000 2.625 255 S HA 0.840 5.517 4.470 0.345 0.000 0.271 255 S C -0.828 173.769 174.600 -0.005 0.000 1.161 255 S CA -0.074 58.037 58.200 -0.149 0.000 0.820 255 S CB 1.079 64.180 63.200 -0.164 0.000 1.137 255 S HN 2.077 nan 8.310 nan 0.000 0.470 256 I N -2.806 117.751 120.570 -0.022 0.000 2.969 256 I HA 0.716 5.093 4.170 0.345 0.000 0.307 256 I C -3.277 172.922 176.117 0.136 0.000 1.149 256 I CA -3.128 58.228 61.300 0.093 0.000 1.008 256 I CB 1.986 40.055 38.000 0.115 0.000 1.232 256 I HN 0.316 nan 8.210 nan 0.000 0.435 257 P HA -0.001 nan 4.420 nan 0.000 0.266 257 P C -0.099 177.226 177.300 0.041 0.000 1.195 257 P CA 0.269 63.415 63.100 0.076 0.000 0.768 257 P CB 0.289 32.025 31.700 0.060 0.000 0.838 258 Y N 3.225 123.464 120.300 -0.101 0.000 2.151 258 Y HA -0.240 4.517 4.550 0.344 0.000 0.284 258 Y C 2.366 178.237 175.900 -0.049 0.000 1.166 258 Y CA 2.594 60.649 58.100 -0.076 0.000 1.163 258 Y CB -0.890 37.538 38.460 -0.054 0.000 0.974 258 Y HN 0.496 nan 8.280 nan 0.000 0.511 259 G N -0.176 108.678 108.800 0.090 0.000 2.442 259 G HA2 -0.343 3.824 3.960 0.345 0.000 0.219 259 G HA3 -0.343 3.824 3.960 0.345 0.000 0.219 259 G C 1.776 176.663 174.900 -0.022 0.000 1.141 259 G CA 0.990 46.114 45.100 0.040 0.000 0.763 259 G HN 0.427 nan 8.290 nan 0.000 0.554 260 R N 0.441 120.931 120.500 -0.018 0.000 2.090 260 R HA 0.139 4.686 4.340 0.345 0.000 0.228 260 R C 2.826 179.085 176.300 -0.069 0.000 1.110 260 R CA 1.291 57.380 56.100 -0.018 0.000 0.973 260 R CB -0.341 29.965 30.300 0.010 0.000 0.869 260 R HN 0.264 nan 8.270 nan 0.000 0.440 261 A N 0.851 123.595 122.820 -0.126 0.000 1.933 261 A HA -0.075 4.452 4.320 0.345 0.000 0.218 261 A C 1.889 179.334 177.584 -0.231 0.000 1.175 261 A CA 0.886 52.817 52.037 -0.177 0.000 0.628 261 A CB -0.186 18.663 19.000 -0.252 0.000 0.814 261 A HN 0.288 nan 8.150 nan 0.000 0.444 262 L N -0.192 120.851 121.223 -0.299 0.000 2.592 262 L HA 0.132 4.680 4.340 0.345 0.000 0.227 262 L C 1.152 177.962 176.870 -0.100 0.000 1.127 262 L CA 0.593 55.295 54.840 -0.229 0.000 0.884 262 L CB -0.832 41.055 42.059 -0.286 0.000 1.065 262 L HN 0.378 nan 8.230 nan 0.000 0.457 263 S N 0.768 116.427 115.700 -0.067 0.000 2.505 263 S HA 0.189 4.867 4.470 0.345 0.000 0.276 263 S C -1.220 173.379 174.600 -0.002 0.000 1.274 263 S CA -1.099 57.093 58.200 -0.013 0.000 1.053 263 S CB 1.271 64.482 63.200 0.019 0.000 0.919 263 S HN -0.020 nan 8.310 nan 0.000 0.490 264 P HA -0.029 nan 4.420 nan 0.000 0.215 264 P C 1.257 178.593 177.300 0.061 0.000 1.153 264 P CA 1.335 64.442 63.100 0.011 0.000 0.853 264 P CB -0.004 31.699 31.700 0.006 0.000 0.788 265 A N -0.110 122.768 122.820 0.097 0.000 2.067 265 A HA 0.003 4.531 4.320 0.345 0.000 0.219 265 A C 2.216 179.985 177.584 0.308 0.000 1.158 265 A CA 1.595 53.743 52.037 0.184 0.000 0.661 265 A CB -1.418 17.672 19.000 0.150 0.000 0.801 265 A HN 0.199 nan 8.150 nan 0.000 0.452 266 A N -0.938 121.991 122.820 0.183 0.000 2.119 266 A HA 0.087 4.614 4.320 0.345 0.000 0.217 266 A C 0.723 178.230 177.584 -0.128 0.000 1.153 266 A CA 1.020 53.123 52.037 0.110 0.000 0.692 266 A CB -0.294 18.720 19.000 0.023 0.000 0.799 266 A HN 0.437 nan 8.150 nan 0.000 0.458 267 D N -1.126 119.268 120.400 -0.011 0.000 2.811 267 D HA -0.127 4.721 4.640 0.345 0.000 0.231 267 D C -0.264 175.908 176.300 -0.213 0.000 1.157 267 D CA 1.001 54.976 54.000 -0.042 0.000 0.716 267 D CB -1.911 38.875 40.800 -0.024 0.000 1.077 267 D HN 0.238 nan 8.370 nan 0.000 0.428 268 V N 0.752 120.552 119.914 -0.189 0.000 2.521 268 V HA 0.230 4.557 4.120 0.345 0.000 0.286 268 V C 1.059 177.036 176.094 -0.196 0.000 1.034 268 V CA 0.048 62.211 62.300 -0.228 0.000 1.045 268 V CB 1.151 32.876 31.823 -0.164 0.000 0.974 268 V HN 0.084 nan 8.190 nan 0.000 0.480 269 L N 5.213 126.274 121.223 -0.270 0.000 2.323 269 L HA 0.590 5.137 4.340 0.345 0.000 0.265 269 L C -0.514 176.169 176.870 -0.311 0.000 1.012 269 L CA -0.785 53.903 54.840 -0.254 0.000 0.820 269 L CB 2.174 44.070 42.059 -0.271 0.000 1.334 269 L HN 0.409 nan 8.230 nan 0.000 0.427 270 L N 2.415 123.481 121.223 -0.260 0.000 2.353 270 L HA 0.462 5.010 4.340 0.345 0.000 0.269 270 L C 0.251 176.966 176.870 -0.257 0.000 1.085 270 L CA -0.397 54.298 54.840 -0.242 0.000 0.938 270 L CB 0.941 42.906 42.059 -0.155 0.000 1.312 270 L HN 0.629 nan 8.230 nan 0.000 0.429 271 A N 2.172 124.800 122.820 -0.319 0.000 2.409 271 A HA 0.345 4.872 4.320 0.345 0.000 0.262 271 A C 0.081 177.541 177.584 -0.206 0.000 1.113 271 A CA -0.105 51.733 52.037 -0.332 0.000 0.790 271 A CB 0.045 18.892 19.000 -0.256 0.000 1.046 271 A HN 0.706 nan 8.150 nan 0.000 0.496 272 Y N -0.337 119.928 120.300 -0.059 0.000 2.527 272 Y HA 0.471 5.228 4.550 0.345 0.000 0.247 272 Y C 0.041 175.932 175.900 -0.015 0.000 1.138 272 Y CA -0.660 57.399 58.100 -0.068 0.000 1.228 272 Y CB -0.170 38.243 38.460 -0.079 0.000 1.252 272 Y HN 0.568 nan 8.280 nan 0.000 0.531 273 E N 1.785 122.005 120.200 0.033 0.000 2.312 273 E HA 0.582 5.140 4.350 0.345 0.000 0.267 273 E C -1.526 175.059 176.600 -0.025 0.000 0.894 273 E CA -1.142 55.284 56.400 0.044 0.000 0.773 273 E CB 2.971 32.696 29.700 0.041 0.000 1.241 273 E HN 0.231 nan 8.360 nan 0.000 0.432 274 M N 2.944 122.466 119.600 -0.128 0.000 2.182 274 M HA 0.268 4.955 4.480 0.345 0.000 0.266 274 M C -1.437 174.641 176.300 -0.371 0.000 0.989 274 M CA -0.304 54.763 55.300 -0.389 0.000 1.003 274 M CB 0.947 33.275 32.600 -0.454 0.000 1.812 274 M HN 0.460 nan 8.290 nan 0.000 0.472 275 N N 3.608 122.058 118.700 -0.416 0.000 2.725 275 N HA -0.187 4.760 4.740 0.345 0.000 0.251 275 N C 0.723 176.139 175.510 -0.157 0.000 1.031 275 N CA 1.820 54.705 53.050 -0.276 0.000 0.720 275 N CB -1.259 37.061 38.487 -0.278 0.000 0.930 275 N HN 1.253 nan 8.380 nan 0.000 0.543 276 G N -2.203 106.524 108.800 -0.121 0.000 2.304 276 G HA2 -0.375 3.792 3.960 0.345 0.000 0.252 276 G HA3 -0.375 3.792 3.960 0.345 0.000 0.252 276 G C 0.337 175.216 174.900 -0.034 0.000 1.014 276 G CA 1.673 46.738 45.100 -0.059 0.000 0.619 276 G HN 1.213 nan 8.290 nan 0.000 0.525 277 T N -0.930 113.594 114.554 -0.050 0.000 2.923 277 T HA 0.643 5.200 4.350 0.345 0.000 0.281 277 T C 0.388 175.093 174.700 0.009 0.000 0.995 277 T CA 0.304 62.394 62.100 -0.018 0.000 0.985 277 T CB 1.970 70.820 68.868 -0.032 0.000 1.114 277 T HN 0.895 nan 8.240 nan 0.000 0.548 278 E N 1.180 121.414 120.200 0.056 0.000 2.371 278 E HA 0.258 4.816 4.350 0.345 0.000 0.257 278 E C -0.364 176.313 176.600 0.128 0.000 1.134 278 E CA -0.831 55.647 56.400 0.131 0.000 0.919 278 E CB 0.458 30.284 29.700 0.210 0.000 1.025 278 E HN 0.608 nan 8.360 nan 0.000 0.438 279 L N 2.342 123.681 121.223 0.192 0.000 2.540 279 L HA 0.111 4.659 4.340 0.345 0.000 0.276 279 L C -1.905 175.087 176.870 0.203 0.000 1.212 279 L CA -1.491 53.446 54.840 0.162 0.000 0.893 279 L CB -0.045 42.096 42.059 0.137 0.000 1.138 279 L HN 0.462 nan 8.230 nan 0.000 0.491 280 P HA 0.153 nan 4.420 nan 0.000 0.274 280 P C 0.261 177.656 177.300 0.158 0.000 1.237 280 P CA -0.394 62.764 63.100 0.095 0.000 0.793 280 P CB 0.630 32.412 31.700 0.137 0.000 0.977 281 R N 0.807 121.375 120.500 0.114 0.000 2.096 281 R HA -0.176 4.371 4.340 0.345 0.000 0.240 281 R C 1.188 177.705 176.300 0.361 0.000 1.139 281 R CA 1.879 58.128 56.100 0.249 0.000 0.952 281 R CB -0.653 29.706 30.300 0.099 0.000 0.854 281 R HN 0.527 nan 8.270 nan 0.000 0.436 282 D N -0.734 119.740 120.400 0.124 0.000 2.309 282 D HA -0.102 4.745 4.640 0.345 0.000 0.212 282 D C 1.031 177.153 176.300 -0.298 0.000 0.968 282 D CA 1.081 55.089 54.000 0.013 0.000 0.882 282 D CB -0.007 40.689 40.800 -0.174 0.000 0.918 282 D HN 0.357 nan 8.370 nan 0.000 0.503 283 H N -1.629 117.417 119.070 -0.040 0.000 2.542 283 H HA 0.409 5.175 4.556 0.349 0.000 0.283 283 H C 1.296 176.349 175.328 -0.459 0.000 1.059 283 H CA 0.660 56.547 56.048 -0.269 0.000 1.162 283 H CB 1.006 30.620 29.762 -0.246 0.000 1.539 283 H HN 0.158 nan 8.280 nan 0.000 0.543 284 G N 1.038 109.516 108.800 -0.537 0.000 2.175 284 G HA2 -0.241 3.926 3.960 0.345 0.000 0.182 284 G HA3 -0.241 3.926 3.960 0.345 0.000 0.182 284 G C 0.022 174.717 174.900 -0.342 0.000 1.003 284 G CA -0.421 44.042 45.100 -1.060 0.000 0.666 284 G HN 0.296 nan 8.290 nan 0.000 0.506 285 F N 2.835 122.762 119.950 -0.039 0.000 2.623 285 F HA 0.309 5.042 4.527 0.342 0.000 0.381 285 F C -0.258 175.573 175.800 0.052 0.000 1.081 285 F CA 0.072 58.084 58.000 0.020 0.000 1.293 285 F CB 0.960 39.999 39.000 0.065 0.000 1.006 285 F HN 0.019 nan 8.300 nan 0.000 0.578 286 P HA 0.075 nan 4.420 nan 0.000 0.252 286 P C -0.743 176.208 177.300 -0.582 0.000 1.218 286 P CA 0.596 62.890 63.100 -1.343 0.000 0.807 286 P CB 0.707 31.474 31.700 -1.555 0.000 1.072 287 V N 1.026 120.670 119.914 -0.451 0.000 2.851 287 V HA 0.443 4.770 4.120 0.345 0.000 0.307 287 V C -0.158 175.784 176.094 -0.254 0.000 1.129 287 V CA -0.795 61.355 62.300 -0.251 0.000 0.932 287 V CB 2.928 34.666 31.823 -0.142 0.000 1.024 287 V HN 0.137 nan 8.190 nan 0.000 0.426 288 R N 2.387 122.718 120.500 -0.282 0.000 2.855 288 R HA 0.899 5.446 4.340 0.345 0.000 0.266 288 R C -1.846 174.203 176.300 -0.419 0.000 1.034 288 R CA -0.805 55.071 56.100 -0.375 0.000 0.944 288 R CB 2.046 32.059 30.300 -0.477 0.000 1.219 288 R HN 0.320 nan 8.270 nan 0.000 0.474 289 V N 1.525 121.138 119.914 -0.502 0.000 2.509 289 V HA 0.373 4.700 4.120 0.345 0.000 0.284 289 V C -0.382 175.349 176.094 -0.605 0.000 1.047 289 V CA -0.653 61.290 62.300 -0.595 0.000 0.952 289 V CB 1.515 32.828 31.823 -0.851 0.000 0.988 289 V HN 0.510 nan 8.190 nan 0.000 0.469 290 V N 5.225 124.770 119.914 -0.614 0.000 2.376 290 V HA 0.321 4.649 4.120 0.345 0.000 0.287 290 V C -0.245 175.534 176.094 -0.526 0.000 1.015 290 V CA -0.493 61.378 62.300 -0.716 0.000 0.834 290 V CB 1.861 33.061 31.823 -1.038 0.000 1.001 290 V HN 0.623 nan 8.190 nan 0.000 0.428 291 V N 7.770 127.432 119.914 -0.419 0.000 2.270 291 V HA 0.296 4.623 4.120 0.345 0.000 0.263 291 V C -2.154 173.742 176.094 -0.329 0.000 1.066 291 V CA -1.861 60.252 62.300 -0.312 0.000 0.857 291 V CB 0.902 32.626 31.823 -0.165 0.000 1.099 291 V HN 0.689 nan 8.190 nan 0.000 0.476 292 P HA 0.166 nan 4.420 nan 0.000 0.268 292 P C 1.145 178.295 177.300 -0.250 0.000 1.208 292 P CA 1.102 63.848 63.100 -0.590 0.000 0.777 292 P CB 0.588 31.295 31.700 -1.656 0.000 0.875 293 G N -0.307 108.694 108.800 0.335 0.000 2.166 293 G HA2 -0.191 3.977 3.960 0.345 0.000 0.260 293 G HA3 -0.191 3.977 3.960 0.345 0.000 0.260 293 G C -0.017 175.083 174.900 0.333 0.000 0.986 293 G CA 0.221 45.636 45.100 0.525 0.000 0.683 293 G HN 0.551 nan 8.290 nan 0.000 0.527 294 V N -0.554 119.510 119.914 0.251 0.000 3.040 294 V HA 0.679 5.006 4.120 0.345 0.000 0.312 294 V C 0.833 177.002 176.094 0.126 0.000 1.115 294 V CA -0.473 61.921 62.300 0.156 0.000 0.998 294 V CB 2.002 33.859 31.823 0.057 0.000 1.042 294 V HN 0.467 nan 8.190 nan 0.000 0.433 295 V N 2.877 122.844 119.914 0.088 0.000 2.901 295 V HA 0.184 4.512 4.120 0.345 0.000 0.307 295 V C 1.691 177.753 176.094 -0.054 0.000 1.084 295 V CA 1.466 63.775 62.300 0.014 0.000 1.184 295 V CB 1.386 33.201 31.823 -0.013 0.000 0.941 295 V HN 1.120 nan 8.190 nan 0.000 0.493 296 G N 4.370 113.113 108.800 -0.094 0.000 2.475 296 G HA2 -0.257 3.910 3.960 0.345 0.000 0.220 296 G HA3 -0.257 3.910 3.960 0.345 0.000 0.220 296 G C 1.566 176.399 174.900 -0.111 0.000 1.125 296 G CA 1.079 46.122 45.100 -0.094 0.000 0.755 296 G HN 1.274 nan 8.290 nan 0.000 0.565 297 A N 0.553 123.291 122.820 -0.136 0.000 2.024 297 A HA -0.055 4.472 4.320 0.345 0.000 0.220 297 A C 2.402 180.051 177.584 0.107 0.000 1.164 297 A CA 1.515 53.517 52.037 -0.059 0.000 0.643 297 A CB -0.201 18.630 19.000 -0.281 0.000 0.806 297 A HN 0.260 nan 8.150 nan 0.000 0.451 298 R N 0.191 120.719 120.500 0.046 0.000 2.276 298 R HA 0.137 4.684 4.340 0.345 0.000 0.196 298 R C 0.225 176.537 176.300 0.019 0.000 0.961 298 R CA 0.259 56.421 56.100 0.104 0.000 1.024 298 R CB -0.861 29.497 30.300 0.095 0.000 0.940 298 R HN 0.335 nan 8.270 nan 0.000 0.480 299 S N 1.813 117.444 115.700 -0.115 0.000 3.530 299 S HA 0.170 4.847 4.470 0.345 0.000 0.279 299 S C 0.096 174.530 174.600 -0.276 0.000 1.280 299 S CA -0.288 57.743 58.200 -0.283 0.000 0.946 299 S CB 0.266 63.240 63.200 -0.377 0.000 1.501 299 S HN -0.110 nan 8.310 nan 0.000 0.498 300 V N 4.576 124.357 119.914 -0.221 0.000 2.572 300 V HA 0.128 4.455 4.120 0.345 0.000 0.291 300 V C 0.667 176.594 176.094 -0.279 0.000 1.039 300 V CA -0.081 62.154 62.300 -0.108 0.000 1.055 300 V CB 0.393 32.274 31.823 0.096 0.000 0.969 300 V HN 0.573 nan 8.190 nan 0.000 0.482 301 K N 4.150 124.329 120.400 -0.368 0.000 2.098 301 K HA 0.293 4.821 4.320 0.345 0.000 0.261 301 K C -0.316 176.081 176.600 -0.339 0.000 0.987 301 K CA -0.547 55.311 56.287 -0.715 0.000 0.916 301 K CB 0.746 32.341 32.500 -1.507 0.000 1.039 301 K HN 0.730 nan 8.250 nan 0.000 0.455 302 W N 1.315 122.577 121.300 -0.063 0.000 5.963 302 W HA -0.212 4.647 4.660 0.332 0.000 0.400 302 W C -0.312 176.234 176.519 0.046 0.000 1.530 302 W CA -0.454 56.876 57.345 -0.025 0.000 1.004 302 W CB -2.027 27.438 29.460 0.007 0.000 2.706 302 W HN 0.414 nan 8.180 nan 0.000 1.495 303 L N 2.092 123.393 121.223 0.129 0.000 2.559 303 L HA 0.009 4.556 4.340 0.345 0.000 0.274 303 L C 1.827 178.856 176.870 0.265 0.000 1.205 303 L CA 1.280 56.211 54.840 0.151 0.000 0.907 303 L CB 0.430 42.508 42.059 0.033 0.000 1.153 303 L HN 0.257 nan 8.230 nan 0.000 0.490 304 R N 3.983 124.613 120.500 0.216 0.000 2.369 304 R HA 0.295 4.842 4.340 0.345 0.000 0.210 304 R C 0.390 176.755 176.300 0.108 0.000 0.881 304 R CA -0.326 55.872 56.100 0.163 0.000 1.031 304 R CB 0.439 30.829 30.300 0.151 0.000 1.184 304 R HN 0.588 nan 8.270 nan 0.000 0.581 305 R N 0.649 121.237 120.500 0.146 0.000 2.626 305 R HA 0.459 5.006 4.340 0.345 0.000 0.274 305 R C -1.970 174.448 176.300 0.197 0.000 1.031 305 R CA -0.639 55.542 56.100 0.136 0.000 0.898 305 R CB 2.802 33.170 30.300 0.113 0.000 1.222 305 R HN 0.008 nan 8.270 nan 0.000 0.455 306 V N 2.330 122.349 119.914 0.174 0.000 2.577 306 V HA 0.833 5.160 4.120 0.345 0.000 0.303 306 V C -0.918 175.242 176.094 0.110 0.000 1.042 306 V CA -0.569 61.850 62.300 0.198 0.000 0.872 306 V CB 1.594 33.553 31.823 0.227 0.000 0.998 306 V HN 0.928 nan 8.190 nan 0.000 0.423 307 A N 4.131 126.970 122.820 0.032 0.000 2.486 307 A HA 0.894 5.421 4.320 0.345 0.000 0.300 307 A C -1.205 176.363 177.584 -0.028 0.000 1.048 307 A CA -0.571 51.491 52.037 0.042 0.000 0.696 307 A CB 2.037 21.075 19.000 0.064 0.000 1.278 307 A HN 0.627 nan 8.150 nan 0.000 0.405 308 V N 1.445 121.354 119.914 -0.007 0.000 2.481 308 V HA 0.754 5.081 4.120 0.345 0.000 0.286 308 V C 0.456 176.683 176.094 0.222 0.000 1.042 308 V CA -0.042 62.261 62.300 0.005 0.000 0.928 308 V CB 1.397 33.048 31.823 -0.287 0.000 0.986 308 V HN 1.045 nan 8.190 nan 0.000 0.462 309 S N 5.235 121.115 115.700 0.300 0.000 2.541 309 S HA 0.565 5.242 4.470 0.345 0.000 0.271 309 S C -2.264 172.372 174.600 0.059 0.000 1.133 309 S CA -1.247 57.089 58.200 0.226 0.000 0.876 309 S CB 2.502 65.751 63.200 0.082 0.000 1.105 309 S HN 0.475 nan 8.310 nan 0.000 0.470 310 P HA 0.112 nan 4.420 nan 0.000 0.225 310 P C -0.424 176.723 177.300 -0.256 0.000 1.148 310 P CA 0.928 63.514 63.100 -0.856 0.000 0.779 310 P CB -0.128 31.001 31.700 -0.951 0.000 0.780 311 D N -0.503 119.845 120.400 -0.087 0.000 2.374 311 D HA 0.224 5.071 4.640 0.345 0.000 0.239 311 D C 0.378 176.576 176.300 -0.170 0.000 0.991 311 D CA -0.763 53.195 54.000 -0.070 0.000 0.960 311 D CB 1.340 42.072 40.800 -0.114 0.000 1.284 311 D HN -0.026 nan 8.370 nan 0.000 0.512 312 E N -0.032 119.876 120.200 -0.488 0.000 2.447 312 E HA 0.070 4.627 4.350 0.345 0.000 0.259 312 E C 0.119 176.582 176.600 -0.228 0.000 1.196 312 E CA 0.107 56.189 56.400 -0.530 0.000 0.995 312 E CB 0.506 29.931 29.700 -0.459 0.000 0.974 312 E HN 0.225 nan 8.360 nan 0.000 0.465 313 S N 1.491 117.085 115.700 -0.176 0.000 2.537 313 S HA 0.042 4.719 4.470 0.345 0.000 0.286 313 S C -1.650 172.894 174.600 -0.093 0.000 1.299 313 S CA -1.289 56.845 58.200 -0.109 0.000 1.067 313 S CB 0.577 63.724 63.200 -0.088 0.000 0.864 313 S HN 0.286 nan 8.310 nan 0.000 0.494 314 P HA 0.079 nan 4.420 nan 0.000 0.253 314 P C 0.397 177.663 177.300 -0.057 0.000 1.260 314 P CA -0.070 62.991 63.100 -0.064 0.000 0.800 314 P CB -0.190 31.482 31.700 -0.047 0.000 1.162 315 S N 0.033 115.705 115.700 -0.047 0.000 2.559 315 S HA -0.129 4.548 4.470 0.345 0.000 0.282 315 S C 1.510 176.066 174.600 -0.074 0.000 1.336 315 S CA 0.150 58.336 58.200 -0.024 0.000 1.037 315 S CB 0.089 63.273 63.200 -0.026 0.000 0.853 315 S HN 0.277 nan 8.310 nan 0.000 0.523 316 H N 3.118 122.038 119.070 -0.250 0.000 2.387 316 H HA -0.056 4.718 4.556 0.363 0.000 0.299 316 H C 1.302 176.354 175.328 -0.459 0.000 1.099 316 H CA 2.473 58.221 56.048 -0.501 0.000 1.315 316 H CB -0.046 29.133 29.762 -0.972 0.000 1.380 316 H HN 0.738 nan 8.280 nan 0.000 0.513 317 W N 0.005 121.171 121.300 -0.223 0.000 3.256 317 W HA 0.096 4.835 4.660 0.132 0.000 0.269 317 W C 1.509 178.006 176.519 -0.037 0.000 1.310 317 W CA 0.434 57.681 57.345 -0.164 0.000 1.673 317 W CB 0.199 29.700 29.460 0.068 0.000 1.115 317 W HN 0.435 nan 8.180 nan 0.000 0.686 318 Q N -0.112 119.713 119.800 0.041 0.000 2.511 318 Q HA -0.030 4.517 4.340 0.345 0.000 0.236 318 Q C 2.182 178.156 176.000 -0.043 0.000 0.893 318 Q CA 0.990 56.810 55.803 0.029 0.000 0.947 318 Q CB -0.046 28.682 28.738 -0.016 0.000 1.110 318 Q HN -0.115 nan 8.270 nan 0.000 0.591 319 Q N 0.024 119.748 119.800 -0.126 0.000 2.089 319 Q HA 0.142 4.689 4.340 0.345 0.000 0.195 319 Q C 0.511 176.379 176.000 -0.220 0.000 0.963 319 Q CA 1.002 56.724 55.803 -0.135 0.000 0.834 319 Q CB 0.275 28.928 28.738 -0.142 0.000 0.906 319 Q HN 0.347 nan 8.270 nan 0.000 0.452 320 N N 0.606 118.998 118.700 -0.513 0.000 2.282 320 N HA 0.119 5.066 4.740 0.345 0.000 0.240 320 N C -0.859 173.865 175.510 -1.311 0.000 1.182 320 N CA 0.108 52.560 53.050 -0.996 0.000 0.874 320 N CB 1.246 39.212 38.487 -0.868 0.000 1.126 320 N HN 0.102 nan 8.380 nan 0.000 0.516 321 D N -0.945 119.046 120.400 -0.681 0.000 2.626 321 D HA 0.268 5.115 4.640 0.345 0.000 0.278 321 D C -0.804 175.491 176.300 -0.007 0.000 1.211 321 D CA -0.312 53.435 54.000 -0.421 0.000 0.903 321 D CB 0.837 41.223 40.800 -0.690 0.000 1.408 321 D HN -0.090 nan 8.370 nan 0.000 0.454 322 Y N -0.631 119.835 120.300 0.277 0.000 3.057 322 Y HA -0.222 4.533 4.550 0.342 0.000 0.192 322 Y C -0.003 175.989 175.900 0.153 0.000 1.448 322 Y CA 0.575 58.806 58.100 0.218 0.000 1.065 322 Y CB -1.595 36.989 38.460 0.206 0.000 1.369 322 Y HN 0.154 nan 8.280 nan 0.000 0.460 323 K N -0.528 120.021 120.400 0.248 0.000 2.512 323 K HA 0.799 5.326 4.320 0.345 0.000 0.263 323 K C 0.345 176.820 176.600 -0.209 0.000 0.966 323 K CA -0.688 55.588 56.287 -0.018 0.000 0.851 323 K CB 2.486 34.929 32.500 -0.095 0.000 1.395 323 K HN 0.210 nan 8.250 nan 0.000 0.440 324 G N 1.236 109.793 108.800 -0.404 0.000 2.343 324 G HA2 0.641 4.808 3.960 0.345 0.000 0.319 324 G HA3 0.641 4.808 3.960 0.345 0.000 0.319 324 G C -1.147 173.338 174.900 -0.693 0.000 1.126 324 G CA -0.248 44.645 45.100 -0.346 0.000 0.889 324 G HN 0.262 nan 8.290 nan 0.000 0.457 325 F N 0.213 120.087 119.950 -0.128 0.000 2.618 325 F HA 0.602 5.333 4.527 0.340 0.000 0.332 325 F C 0.872 176.623 175.800 -0.081 0.000 1.061 325 F CA -0.810 57.107 58.000 -0.139 0.000 0.974 325 F CB 2.140 41.002 39.000 -0.229 0.000 1.310 325 F HN 0.416 nan 8.300 nan 0.000 0.491 326 S N 1.923 117.717 115.700 0.155 0.000 2.572 326 S HA 0.141 4.818 4.470 0.345 0.000 0.279 326 S C -1.508 173.173 174.600 0.136 0.000 1.341 326 S CA -1.139 57.122 58.200 0.102 0.000 1.043 326 S CB 0.724 63.970 63.200 0.077 0.000 0.887 326 S HN 0.353 nan 8.310 nan 0.000 0.516 327 P HA -0.042 nan 4.420 nan 0.000 0.219 327 P C 1.487 178.900 177.300 0.189 0.000 1.146 327 P CA 0.964 64.214 63.100 0.250 0.000 0.808 327 P CB -0.585 31.231 31.700 0.192 0.000 0.779 328 C N -3.101 116.254 119.300 0.092 0.000 2.500 328 C HA 0.188 4.856 4.460 0.345 0.000 0.273 328 C C 1.221 176.228 174.990 0.029 0.000 1.428 328 C CA -0.616 58.426 59.018 0.041 0.000 1.766 328 C CB -1.561 26.189 27.740 0.017 0.000 1.817 328 C HN -0.071 nan 8.230 nan 0.000 0.543 329 V N 3.167 123.099 119.914 0.030 0.000 2.529 329 V HA 0.250 4.578 4.120 0.345 0.000 0.292 329 V C 0.055 176.088 176.094 -0.102 0.000 1.028 329 V CA 1.095 63.353 62.300 -0.070 0.000 1.074 329 V CB 0.447 32.178 31.823 -0.154 0.000 0.958 329 V HN 0.497 nan 8.190 nan 0.000 0.481 330 D N 2.786 123.106 120.400 -0.134 0.000 2.467 330 D HA 0.309 5.156 4.640 0.345 0.000 0.245 330 D C 0.501 176.666 176.300 -0.225 0.000 1.038 330 D CA -0.660 53.255 54.000 -0.142 0.000 1.038 330 D CB 1.215 42.021 40.800 0.010 0.000 1.278 330 D HN 0.400 nan 8.370 nan 0.000 0.564 331 W N 0.225 121.521 121.300 -0.006 0.000 2.342 331 W HA -0.150 4.717 4.660 0.345 0.000 0.297 331 W C 1.970 178.468 176.519 -0.035 0.000 1.213 331 W CA 1.187 58.517 57.345 -0.026 0.000 1.251 331 W CB -0.132 29.336 29.460 0.013 0.000 1.136 331 W HN 0.486 nan 8.180 nan 0.000 0.526 332 D N -0.685 119.819 120.400 0.173 0.000 2.348 332 D HA -0.111 4.737 4.640 0.345 0.000 0.216 332 D C 1.538 177.855 176.300 0.028 0.000 0.970 332 D CA 1.825 55.882 54.000 0.094 0.000 0.889 332 D CB -0.949 39.897 40.800 0.076 0.000 0.912 332 D HN 0.319 nan 8.370 nan 0.000 0.524 333 T N -2.924 111.616 114.554 -0.024 0.000 2.959 333 T HA 0.170 4.727 4.350 0.345 0.000 0.254 333 T C 0.859 175.473 174.700 -0.143 0.000 1.003 333 T CA -0.182 61.880 62.100 -0.063 0.000 0.950 333 T CB -0.157 68.676 68.868 -0.058 0.000 1.090 333 T HN -0.001 nan 8.240 nan 0.000 0.503 334 V N 2.712 122.470 119.914 -0.260 0.000 2.788 334 V HA 0.360 4.687 4.120 0.345 0.000 0.307 334 V C -0.747 175.154 176.094 -0.323 0.000 1.069 334 V CA 0.489 62.472 62.300 -0.529 0.000 1.173 334 V CB 0.915 32.216 31.823 -0.869 0.000 0.925 334 V HN 0.605 nan 8.190 nan 0.000 0.492 335 D N 4.416 124.621 120.400 -0.324 0.000 2.478 335 D HA 0.227 5.074 4.640 0.345 0.000 0.240 335 D C -0.102 176.248 176.300 0.084 0.000 1.364 335 D CA -0.360 53.614 54.000 -0.042 0.000 0.987 335 D CB 0.759 41.566 40.800 0.011 0.000 1.328 335 D HN 0.501 nan 8.370 nan 0.000 0.584 336 Y N 1.968 122.345 120.300 0.128 0.000 2.639 336 Y HA -0.008 4.755 4.550 0.354 0.000 0.297 336 Y C 2.007 177.994 175.900 0.144 0.000 1.151 336 Y CA 0.672 58.930 58.100 0.263 0.000 1.335 336 Y CB 0.153 38.703 38.460 0.150 0.000 0.994 336 Y HN 0.276 nan 8.280 nan 0.000 0.548 337 R N -0.877 119.745 120.500 0.204 0.000 2.236 337 R HA -0.062 4.486 4.340 0.345 0.000 0.208 337 R C 2.138 178.488 176.300 0.084 0.000 1.036 337 R CA 1.432 57.599 56.100 0.112 0.000 1.001 337 R CB -0.486 29.856 30.300 0.071 0.000 0.896 337 R HN 0.329 nan 8.270 nan 0.000 0.464 338 T N -2.904 111.716 114.554 0.110 0.000 3.148 338 T HA 0.345 4.903 4.350 0.345 0.000 0.253 338 T C 0.590 175.285 174.700 -0.008 0.000 1.134 338 T CA 0.241 62.380 62.100 0.065 0.000 1.051 338 T CB 0.276 69.204 68.868 0.100 0.000 0.959 338 T HN 0.121 nan 8.240 nan 0.000 0.525 339 A N 2.022 124.806 122.820 -0.060 0.000 2.454 339 A HA 0.804 5.331 4.320 0.345 0.000 0.302 339 A C -2.929 174.589 177.584 -0.109 0.000 1.079 339 A CA -2.091 49.828 52.037 -0.196 0.000 0.731 339 A CB 1.429 20.073 19.000 -0.593 0.000 1.299 339 A HN 0.207 nan 8.150 nan 0.000 0.413 340 P HA 0.467 nan 4.420 nan 0.000 0.281 340 P C -0.103 177.182 177.300 -0.024 0.000 1.249 340 P CA -0.081 62.995 63.100 -0.039 0.000 0.810 340 P CB 1.215 32.900 31.700 -0.026 0.000 1.008 341 A N 3.278 126.107 122.820 0.015 0.000 2.540 341 A HA 0.140 4.667 4.320 0.345 0.000 0.239 341 A C 0.689 178.307 177.584 0.057 0.000 1.061 341 A CA -0.197 51.872 52.037 0.053 0.000 0.758 341 A CB -0.815 18.213 19.000 0.046 0.000 0.991 341 A HN 0.509 nan 8.150 nan 0.000 0.502 342 I N 2.530 123.154 120.570 0.090 0.000 2.598 342 I HA 0.006 4.383 4.170 0.345 0.000 0.284 342 I C 1.057 177.219 176.117 0.075 0.000 1.140 342 I CA 0.131 61.477 61.300 0.077 0.000 1.420 342 I CB 0.491 38.550 38.000 0.099 0.000 1.387 342 I HN 0.776 nan 8.210 nan 0.000 0.553 343 Q N 4.734 124.574 119.800 0.067 0.000 2.175 343 Q HA 0.274 4.821 4.340 0.345 0.000 0.177 343 Q C -0.116 175.934 176.000 0.083 0.000 0.636 343 Q CA -0.194 55.652 55.803 0.072 0.000 0.657 343 Q CB -0.064 28.716 28.738 0.071 0.000 1.760 343 Q HN 0.556 nan 8.270 nan 0.000 0.417 344 E N 1.675 121.921 120.200 0.077 0.000 2.413 344 E HA 0.154 4.712 4.350 0.345 0.000 0.263 344 E C -0.375 176.272 176.600 0.077 0.000 1.015 344 E CA 0.111 56.559 56.400 0.080 0.000 0.916 344 E CB 0.534 30.264 29.700 0.050 0.000 0.947 344 E HN 0.159 nan 8.360 nan 0.000 0.440 345 L N 4.305 125.592 121.223 0.106 0.000 2.375 345 L HA 0.411 4.958 4.340 0.345 0.000 0.268 345 L C -1.904 174.991 176.870 0.043 0.000 1.058 345 L CA -2.087 52.831 54.840 0.129 0.000 0.803 345 L CB 0.940 43.189 42.059 0.317 0.000 1.212 345 L HN 0.398 nan 8.230 nan 0.000 0.451 346 P HA 0.053 nan 4.420 nan 0.000 0.277 346 P C -0.565 176.760 177.300 0.040 0.000 1.271 346 P CA -0.362 62.756 63.100 0.029 0.000 0.795 346 P CB 1.011 32.739 31.700 0.048 0.000 1.101 347 V N 0.792 120.715 119.914 0.015 0.000 2.673 347 V HA 0.067 4.394 4.120 0.345 0.000 0.303 347 V C 0.037 176.209 176.094 0.130 0.000 1.046 347 V CA 0.876 63.196 62.300 0.033 0.000 1.126 347 V CB 0.086 31.907 31.823 -0.003 0.000 0.934 347 V HN 0.635 nan 8.190 nan 0.000 0.487 348 Q N 4.962 124.891 119.800 0.215 0.000 2.421 348 Q HA 0.776 5.323 4.340 0.345 0.000 0.280 348 Q C -1.049 175.120 176.000 0.282 0.000 1.085 348 Q CA -0.106 55.861 55.803 0.272 0.000 0.807 348 Q CB 2.488 31.459 28.738 0.388 0.000 1.405 348 Q HN 1.108 nan 8.270 nan 0.000 0.419 349 S N 0.740 116.549 115.700 0.183 0.000 2.552 349 S HA 0.994 5.671 4.470 0.345 0.000 0.272 349 S C -1.586 172.937 174.600 -0.129 0.000 1.150 349 S CA -0.249 57.984 58.200 0.055 0.000 0.849 349 S CB 1.166 64.418 63.200 0.086 0.000 1.113 349 S HN 1.223 nan 8.310 nan 0.000 0.458 350 A N 1.034 123.591 122.820 -0.439 0.000 2.606 350 A HA 0.775 5.303 4.320 0.345 0.000 0.293 350 A C -1.266 176.311 177.584 -0.013 0.000 1.082 350 A CA -0.772 51.091 52.037 -0.291 0.000 0.685 350 A CB 1.516 20.117 19.000 -0.665 0.000 1.284 350 A HN 1.373 nan 8.150 nan 0.000 0.408 351 V N 2.160 122.299 119.914 0.376 0.000 2.368 351 V HA 0.333 4.660 4.120 0.345 0.000 0.266 351 V C 1.408 177.564 176.094 0.104 0.000 1.045 351 V CA 0.705 63.151 62.300 0.244 0.000 0.899 351 V CB 0.566 32.558 31.823 0.281 0.000 1.006 351 V HN 1.159 nan 8.190 nan 0.000 0.470 352 T N 0.972 115.468 114.554 -0.096 0.000 3.044 352 T HA 0.142 4.700 4.350 0.345 0.000 0.250 352 T C 0.433 175.106 174.700 -0.046 0.000 1.081 352 T CA 0.137 62.213 62.100 -0.041 0.000 1.040 352 T CB 0.211 69.036 68.868 -0.071 0.000 0.962 352 T HN 0.586 nan 8.240 nan 0.000 0.506 353 Q N 1.365 121.111 119.800 -0.090 0.000 2.268 353 Q HA 0.440 4.987 4.340 0.345 0.000 0.266 353 Q C -3.160 172.815 176.000 -0.043 0.000 1.006 353 Q CA -2.204 53.560 55.803 -0.065 0.000 0.824 353 Q CB 2.757 31.437 28.738 -0.097 0.000 1.306 353 Q HN 0.040 nan 8.270 nan 0.000 0.424 354 P HA 0.237 nan 4.420 nan 0.000 0.279 354 P C -0.877 176.429 177.300 0.010 0.000 1.282 354 P CA -0.410 62.688 63.100 -0.004 0.000 0.788 354 P CB 0.834 32.534 31.700 0.000 0.000 1.139 355 R N -0.379 120.131 120.500 0.015 0.000 2.598 355 R HA 0.474 5.021 4.340 0.345 0.000 0.279 355 R C -2.161 174.154 176.300 0.024 0.000 0.984 355 R CA -2.111 54.007 56.100 0.030 0.000 0.999 355 R CB -0.363 29.955 30.300 0.031 0.000 1.114 355 R HN 0.367 nan 8.270 nan 0.000 0.493 356 P HA -0.029 nan 4.420 nan 0.000 0.265 356 P C 0.656 177.968 177.300 0.020 0.000 1.187 356 P CA 0.899 64.012 63.100 0.022 0.000 0.766 356 P CB 0.404 32.126 31.700 0.036 0.000 0.820 357 G N 1.085 109.893 108.800 0.013 0.000 2.184 357 G HA2 -0.240 3.927 3.960 0.345 0.000 0.264 357 G HA3 -0.240 3.927 3.960 0.345 0.000 0.264 357 G C 0.516 175.422 174.900 0.010 0.000 0.975 357 G CA 0.117 45.224 45.100 0.012 0.000 0.642 357 G HN 0.872 nan 8.290 nan 0.000 0.536 358 A N -0.043 122.782 122.820 0.009 0.000 2.483 358 A HA 0.698 5.225 4.320 0.345 0.000 0.238 358 A C 0.782 178.368 177.584 0.004 0.000 1.070 358 A CA 1.164 53.205 52.037 0.007 0.000 0.770 358 A CB 0.535 19.539 19.000 0.006 0.000 1.008 358 A HN 2.096 nan 8.150 nan 0.000 0.497 359 A N 2.249 125.071 122.820 0.003 0.000 2.293 359 A HA 0.555 5.082 4.320 0.345 0.000 0.312 359 A C 0.053 177.638 177.584 0.001 0.000 1.309 359 A CA -0.182 51.856 52.037 0.001 0.000 0.839 359 A CB 0.008 19.009 19.000 0.002 0.000 1.155 359 A HN 2.013 nan 8.150 nan 0.000 0.501 360 V N 0.737 120.651 119.914 -0.000 0.000 2.743 360 V HA 0.707 5.034 4.120 0.345 0.000 0.301 360 V C -2.505 173.588 176.094 -0.001 0.000 1.057 360 V CA -2.370 59.930 62.300 -0.001 0.000 1.006 360 V CB 1.076 32.898 31.823 -0.001 0.000 1.024 360 V HN 0.649 nan 8.190 nan 0.000 0.473 361 P HA 0.332 nan 4.420 nan 0.000 0.271 361 P C -2.680 174.619 177.300 -0.002 0.000 1.218 361 P CA -1.245 61.854 63.100 -0.001 0.000 0.780 361 P CB 0.003 31.702 31.700 -0.001 0.000 0.901 362 P HA 0.191 nan 4.420 nan 0.000 0.274 362 P C 0.883 178.182 177.300 -0.002 0.000 1.256 362 P CA 0.496 63.594 63.100 -0.002 0.000 0.795 362 P CB 0.335 32.033 31.700 -0.003 0.000 1.038 363 G N 0.344 109.143 108.800 -0.002 0.000 5.064 363 G HA2 -0.205 3.962 3.960 0.345 0.000 0.277 363 G HA3 -0.205 3.962 3.960 0.345 0.000 0.277 363 G C -0.320 174.579 174.900 -0.001 0.000 1.580 363 G CA 0.381 45.480 45.100 -0.002 0.000 1.109 363 G HN 0.806 nan 8.290 nan 0.000 0.695 364 E N -0.010 120.190 120.200 0.000 0.000 2.234 364 E HA 0.693 5.250 4.350 0.345 0.000 0.266 364 E C -1.377 175.225 176.600 0.002 0.000 0.877 364 E CA -0.864 55.537 56.400 0.002 0.000 0.758 364 E CB 1.796 31.497 29.700 0.002 0.000 1.170 364 E HN 0.836 nan 8.360 nan 0.000 0.415 365 L N 3.177 124.403 121.223 0.006 0.000 2.408 365 L HA 0.560 5.107 4.340 0.345 0.000 0.268 365 L C -1.260 175.618 176.870 0.013 0.000 0.986 365 L CA -0.109 54.735 54.840 0.007 0.000 0.820 365 L CB 2.430 44.493 42.059 0.008 0.000 1.303 365 L HN 0.529 nan 8.230 nan 0.000 0.411 366 T N 4.457 119.016 114.554 0.008 0.000 2.801 366 T HA 0.500 5.057 4.350 0.345 0.000 0.306 366 T C -0.446 174.256 174.700 0.004 0.000 1.020 366 T CA -0.262 61.844 62.100 0.010 0.000 0.948 366 T CB 0.758 69.623 68.868 -0.006 0.000 0.962 366 T HN 0.374 nan 8.240 nan 0.000 0.465 367 V N 5.230 125.171 119.914 0.045 0.000 2.509 367 V HA 0.488 4.816 4.120 0.345 0.000 0.284 367 V C 0.266 176.326 176.094 -0.057 0.000 1.047 367 V CA -0.459 61.873 62.300 0.054 0.000 0.952 367 V CB 1.183 33.123 31.823 0.196 0.000 0.988 367 V HN 0.727 nan 8.190 nan 0.000 0.469 368 K N 2.222 122.418 120.400 -0.340 0.000 2.482 368 K HA 0.867 5.394 4.320 0.345 0.000 0.257 368 K C -0.060 175.801 176.600 -1.232 0.000 0.969 368 K CA -0.554 55.264 56.287 -0.781 0.000 0.842 368 K CB 2.728 34.966 32.500 -0.437 0.000 1.359 368 K HN 0.907 nan 8.250 nan 0.000 0.441 369 G N 0.274 108.008 108.800 -1.777 0.000 2.428 369 G HA2 0.361 4.528 3.960 0.345 0.000 0.305 369 G HA3 0.361 4.528 3.960 0.345 0.000 0.305 369 G C -2.182 172.115 174.900 -1.004 0.000 1.260 369 G CA -0.652 43.697 45.100 -1.251 0.000 0.853 369 G HN 0.546 nan 8.290 nan 0.000 0.480 370 Y N -1.517 118.567 120.300 -0.360 0.000 2.602 370 Y HA 0.915 5.672 4.550 0.345 0.000 0.342 370 Y C -0.140 175.990 175.900 0.382 0.000 1.029 370 Y CA -1.402 56.639 58.100 -0.100 0.000 1.080 370 Y CB 1.809 40.151 38.460 -0.197 0.000 1.284 370 Y HN 1.365 nan 8.280 nan 0.000 0.485 371 A N 1.121 124.327 122.820 0.645 0.000 2.547 371 A HA 0.700 5.227 4.320 0.345 0.000 0.297 371 A C -2.238 175.738 177.584 0.654 0.000 1.056 371 A CA -0.538 51.826 52.037 0.545 0.000 0.688 371 A CB 1.045 20.241 19.000 0.327 0.000 1.282 371 A HN 1.072 nan 8.150 nan 0.000 0.400 372 W N 0.861 122.355 121.300 0.325 0.000 3.059 372 W HA 0.659 5.527 4.660 0.347 0.000 0.329 372 W C -1.020 175.594 176.519 0.159 0.000 1.246 372 W CA 0.167 57.664 57.345 0.254 0.000 1.190 372 W CB 1.542 31.175 29.460 0.288 0.000 1.423 372 W HN 1.074 nan 8.180 nan 0.000 0.571 373 S N 1.202 116.388 115.700 -0.857 0.000 2.564 373 S HA 0.726 5.404 4.470 0.345 0.000 0.274 373 S C -0.236 173.460 174.600 -1.506 0.000 1.124 373 S CA -0.097 57.597 58.200 -0.842 0.000 0.869 373 S CB 1.059 64.013 63.200 -0.409 0.000 1.105 373 S HN 0.985 nan 8.310 nan 0.000 0.472 374 G N 0.398 108.638 108.800 -0.933 0.000 2.621 374 G HA2 0.475 4.643 3.960 0.345 0.000 0.271 374 G HA3 0.475 4.643 3.960 0.345 0.000 0.271 374 G C 1.052 175.799 174.900 -0.256 0.000 1.236 374 G CA 0.129 44.884 45.100 -0.575 0.000 0.958 374 G HN 1.861 nan 8.290 nan 0.000 0.512 375 G N -1.874 106.929 108.800 0.005 0.000 2.168 375 G HA2 0.184 4.351 3.960 0.345 0.000 0.257 375 G HA3 0.184 4.351 3.960 0.345 0.000 0.257 375 G C 1.488 176.409 174.900 0.035 0.000 0.997 375 G CA 1.150 46.304 45.100 0.090 0.000 0.708 375 G HN 2.562 nan 8.290 nan 0.000 0.520 376 G N -1.399 107.363 108.800 -0.063 0.000 2.148 376 G HA2 -0.308 3.859 3.960 0.345 0.000 0.254 376 G HA3 -0.308 3.859 3.960 0.345 0.000 0.254 376 G C 0.389 175.047 174.900 -0.404 0.000 0.981 376 G CA 0.916 45.664 45.100 -0.586 0.000 0.670 376 G HN 1.040 nan 8.290 nan 0.000 0.528 377 R N 1.385 121.709 120.500 -0.294 0.000 2.288 377 R HA 0.378 4.925 4.340 0.345 0.000 0.330 377 R C 1.058 177.206 176.300 -0.253 0.000 1.069 377 R CA 0.153 56.104 56.100 -0.249 0.000 0.941 377 R CB 0.393 30.567 30.300 -0.210 0.000 0.998 377 R HN 0.783 nan 8.270 nan 0.000 0.452 378 E N 1.491 121.570 120.200 -0.203 0.000 2.408 378 E HA 0.072 4.630 4.350 0.345 0.000 0.259 378 E C -0.714 175.803 176.600 -0.139 0.000 1.110 378 E CA -0.630 55.683 56.400 -0.146 0.000 0.929 378 E CB 0.787 30.420 29.700 -0.111 0.000 0.971 378 E HN 0.111 nan 8.360 nan 0.000 0.438 379 V N 3.599 123.467 119.914 -0.077 0.000 2.368 379 V HA 0.017 4.344 4.120 0.345 0.000 0.266 379 V C 1.015 177.058 176.094 -0.086 0.000 1.045 379 V CA -0.066 62.192 62.300 -0.069 0.000 0.899 379 V CB 0.908 32.745 31.823 0.023 0.000 1.006 379 V HN 0.737 nan 8.190 nan 0.000 0.470 380 V N 2.933 122.756 119.914 -0.150 0.000 3.174 380 V HA 0.410 4.738 4.120 0.345 0.000 0.254 380 V C 0.748 176.765 176.094 -0.128 0.000 1.120 380 V CA 0.552 62.761 62.300 -0.152 0.000 1.114 380 V CB -0.190 31.489 31.823 -0.239 0.000 0.756 380 V HN 0.759 nan 8.190 nan 0.000 0.467 381 R N -0.859 119.555 120.500 -0.144 0.000 2.663 381 R HA 0.691 5.238 4.340 0.345 0.000 0.267 381 R C -2.322 173.867 176.300 -0.186 0.000 1.038 381 R CA -0.465 55.550 56.100 -0.141 0.000 0.886 381 R CB 2.714 32.932 30.300 -0.137 0.000 1.249 381 R HN 0.060 nan 8.270 nan 0.000 0.463 382 V N 3.110 122.884 119.914 -0.234 0.000 2.482 382 V HA 0.299 4.626 4.120 0.345 0.000 0.295 382 V C -1.136 174.723 176.094 -0.393 0.000 1.026 382 V CA -0.879 61.191 62.300 -0.382 0.000 0.856 382 V CB 1.772 33.236 31.823 -0.599 0.000 1.001 382 V HN 0.698 nan 8.190 nan 0.000 0.424 383 D N 3.395 123.561 120.400 -0.391 0.000 2.225 383 D HA 0.560 5.407 4.640 0.345 0.000 0.248 383 D C -0.406 175.794 176.300 -0.167 0.000 1.096 383 D CA 0.051 53.881 54.000 -0.282 0.000 0.863 383 D CB 2.293 42.798 40.800 -0.491 0.000 1.156 383 D HN 0.266 nan 8.370 nan 0.000 0.450 384 V N 1.335 121.238 119.914 -0.019 0.000 2.604 384 V HA 0.514 4.841 4.120 0.345 0.000 0.305 384 V C 0.041 176.151 176.094 0.026 0.000 1.043 384 V CA -0.686 61.595 62.300 -0.030 0.000 0.888 384 V CB 1.978 33.721 31.823 -0.133 0.000 0.995 384 V HN 0.498 nan 8.190 nan 0.000 0.429 385 S N 3.282 118.895 115.700 -0.144 0.000 2.536 385 S HA 0.719 5.396 4.470 0.345 0.000 0.298 385 S C 0.137 174.591 174.600 -0.243 0.000 1.083 385 S CA -0.638 57.319 58.200 -0.404 0.000 0.995 385 S CB 1.620 64.190 63.200 -1.050 0.000 1.058 385 S HN 0.617 nan 8.310 nan 0.000 0.488 386 L N 2.056 123.149 121.223 -0.216 0.000 2.731 386 L HA 0.344 4.891 4.340 0.345 0.000 0.240 386 L C 0.207 176.993 176.870 -0.141 0.000 1.120 386 L CA 0.058 54.818 54.840 -0.132 0.000 0.913 386 L CB 0.116 42.124 42.059 -0.085 0.000 1.213 386 L HN 0.681 nan 8.230 nan 0.000 0.515 387 D N -0.720 119.558 120.400 -0.203 0.000 2.696 387 D HA 0.223 5.070 4.640 0.345 0.000 0.269 387 D C 1.095 177.288 176.300 -0.180 0.000 1.319 387 D CA -0.012 53.889 54.000 -0.166 0.000 0.826 387 D CB 0.465 41.173 40.800 -0.153 0.000 1.086 387 D HN 0.096 nan 8.370 nan 0.000 0.481 388 G N -0.330 108.355 108.800 -0.192 0.000 2.160 388 G HA2 0.031 4.198 3.960 0.345 0.000 0.244 388 G HA3 0.031 4.198 3.960 0.345 0.000 0.244 388 G C 1.110 175.911 174.900 -0.165 0.000 1.022 388 G CA 0.214 45.238 45.100 -0.126 0.000 0.741 388 G HN 1.424 nan 8.290 nan 0.000 0.508 389 G N -1.372 107.128 108.800 -0.501 0.000 2.157 389 G HA2 -0.279 3.888 3.960 0.345 0.000 0.248 389 G HA3 -0.279 3.888 3.960 0.345 0.000 0.248 389 G C 1.165 175.734 174.900 -0.551 0.000 0.979 389 G CA 1.136 45.767 45.100 -0.783 0.000 0.650 389 G HN 0.906 nan 8.290 nan 0.000 0.529 390 R N 0.086 120.334 120.500 -0.421 0.000 2.100 390 R HA 0.140 4.687 4.340 0.345 0.000 0.220 390 R C 1.346 177.473 176.300 -0.288 0.000 1.091 390 R CA 1.589 57.556 56.100 -0.222 0.000 0.986 390 R CB -0.023 30.199 30.300 -0.130 0.000 0.888 390 R HN 0.709 nan 8.270 nan 0.000 0.444 391 T N -2.305 111.954 114.554 -0.492 0.000 2.906 391 T HA 0.512 5.069 4.350 0.345 0.000 0.295 391 T C -1.274 173.052 174.700 -0.623 0.000 1.061 391 T CA -0.927 60.954 62.100 -0.365 0.000 1.000 391 T CB 1.768 70.543 68.868 -0.154 0.000 1.103 391 T HN 0.147 nan 8.240 nan 0.000 0.486 392 W N 0.477 121.721 121.300 -0.094 0.000 2.902 392 W HA 0.771 5.637 4.660 0.344 0.000 0.346 392 W C -0.256 176.200 176.519 -0.104 0.000 1.139 392 W CA -0.931 56.337 57.345 -0.128 0.000 1.139 392 W CB 1.937 31.297 29.460 -0.167 0.000 1.439 392 W HN 0.616 nan 8.180 nan 0.000 0.558 393 K N 0.723 121.210 120.400 0.145 0.000 2.508 393 K HA 0.586 5.114 4.320 0.345 0.000 0.260 393 K C -1.433 175.172 176.600 0.009 0.000 0.949 393 K CA -1.109 55.208 56.287 0.050 0.000 0.834 393 K CB 2.684 35.193 32.500 0.016 0.000 1.365 393 K HN 0.179 nan 8.250 nan 0.000 0.437 394 V N 1.817 121.722 119.914 -0.016 0.000 2.498 394 V HA 0.342 4.670 4.120 0.345 0.000 0.279 394 V C 0.316 176.382 176.094 -0.047 0.000 1.048 394 V CA -0.575 61.693 62.300 -0.054 0.000 0.967 394 V CB 1.074 32.871 31.823 -0.042 0.000 0.988 394 V HN 0.903 nan 8.190 nan 0.000 0.473 395 A N 4.950 127.717 122.820 -0.089 0.000 2.286 395 A HA 0.662 5.189 4.320 0.345 0.000 0.286 395 A C 0.264 177.869 177.584 0.034 0.000 1.097 395 A CA -0.643 51.387 52.037 -0.012 0.000 0.821 395 A CB 0.413 19.374 19.000 -0.065 0.000 1.076 395 A HN 0.877 nan 8.150 nan 0.000 0.490 396 R N 1.245 121.802 120.500 0.095 0.000 2.265 396 R HA 0.450 4.998 4.340 0.345 0.000 0.314 396 R C -1.253 175.115 176.300 0.114 0.000 1.053 396 R CA -0.243 55.903 56.100 0.076 0.000 0.931 396 R CB 0.082 30.419 30.300 0.062 0.000 1.024 396 R HN 0.650 nan 8.270 nan 0.000 0.457 397 L N 6.222 127.491 121.223 0.077 0.000 2.278 397 L HA 0.283 4.830 4.340 0.345 0.000 0.287 397 L C 0.069 176.971 176.870 0.054 0.000 1.072 397 L CA -0.550 54.345 54.840 0.091 0.000 0.819 397 L CB 1.161 43.255 42.059 0.060 0.000 1.176 397 L HN 0.540 nan 8.230 nan 0.000 0.435 398 M N 2.283 121.914 119.600 0.052 0.000 2.368 398 M HA 0.646 5.334 4.480 0.345 0.000 0.311 398 M C 0.622 176.909 176.300 -0.021 0.000 1.168 398 M CA -0.341 54.961 55.300 0.003 0.000 1.044 398 M CB 1.123 33.716 32.600 -0.013 0.000 1.506 398 M HN 0.696 nan 8.290 nan 0.000 0.475 399 G N 1.484 110.231 108.800 -0.088 0.000 2.629 399 G HA2 -0.074 4.093 3.960 0.345 0.000 0.686 399 G HA3 -0.074 4.093 3.960 0.345 0.000 0.686 399 G C -1.429 173.395 174.900 -0.126 0.000 1.232 399 G CA -0.981 44.008 45.100 -0.185 0.000 0.803 399 G HN 0.669 nan 8.290 nan 0.000 0.638 400 D N 0.823 121.122 120.400 -0.169 0.000 2.264 400 D HA 0.405 5.252 4.640 0.345 0.000 0.249 400 D C 0.953 177.226 176.300 -0.045 0.000 1.070 400 D CA -0.079 53.867 54.000 -0.091 0.000 0.912 400 D CB 1.496 42.240 40.800 -0.093 0.000 1.193 400 D HN 0.768 nan 8.370 nan 0.000 0.427 401 K N -0.259 120.125 120.400 -0.026 0.000 2.326 401 K HA 0.522 5.049 4.320 0.345 0.000 0.275 401 K C -0.504 176.089 176.600 -0.010 0.000 1.018 401 K CA -0.638 55.639 56.287 -0.015 0.000 0.962 401 K CB 1.012 33.499 32.500 -0.022 0.000 0.953 401 K HN 0.305 nan 8.250 nan 0.000 0.475 402 A N 3.506 126.318 122.820 -0.014 0.000 2.256 402 A HA 0.562 5.089 4.320 0.345 0.000 0.318 402 A C -2.341 175.213 177.584 -0.050 0.000 1.103 402 A CA -1.811 50.214 52.037 -0.021 0.000 0.860 402 A CB -0.007 18.969 19.000 -0.040 0.000 1.182 402 A HN 0.740 nan 8.150 nan 0.000 0.501 403 P HA 0.244 nan 4.420 nan 0.000 0.270 403 P C -2.535 174.703 177.300 -0.103 0.000 1.223 403 P CA -0.816 62.253 63.100 -0.052 0.000 0.785 403 P CB -0.249 31.439 31.700 -0.020 0.000 0.923 404 P HA 0.014 nan 4.420 nan 0.000 0.268 404 P C 0.749 177.967 177.300 -0.137 0.000 1.205 404 P CA 0.628 63.666 63.100 -0.103 0.000 0.771 404 P CB 0.265 31.927 31.700 -0.064 0.000 0.858 405 G N 3.028 111.720 108.800 -0.180 0.000 2.175 405 G HA2 -0.308 3.859 3.960 0.345 0.000 0.265 405 G HA3 -0.308 3.859 3.960 0.345 0.000 0.265 405 G C 0.621 175.258 174.900 -0.438 0.000 0.979 405 G CA 0.136 45.105 45.100 -0.219 0.000 0.663 405 G HN 0.635 nan 8.290 nan 0.000 0.533 406 R N -0.456 119.707 120.500 -0.563 0.000 2.668 406 R HA 0.504 5.051 4.340 0.345 0.000 0.435 406 R C 0.763 176.388 176.300 -1.124 0.000 1.059 406 R CA 0.291 55.760 56.100 -1.052 0.000 1.073 406 R CB 0.879 30.924 30.300 -0.425 0.000 1.401 406 R HN 0.470 nan 8.270 nan 0.000 0.590 407 A N 0.558 122.927 122.820 -0.752 0.000 2.922 407 A HA 0.116 4.643 4.320 0.345 0.000 0.298 407 A C 0.109 177.589 177.584 -0.173 0.000 1.588 407 A CA -0.557 51.274 52.037 -0.343 0.000 1.288 407 A CB -0.615 18.270 19.000 -0.191 0.000 1.130 407 A HN 0.600 nan 8.150 nan 0.000 0.557 408 W N 1.997 123.412 121.300 0.193 0.000 2.770 408 W HA 0.350 5.218 4.660 0.347 0.000 0.256 408 W C 1.083 177.863 176.519 0.437 0.000 1.291 408 W CA 0.294 57.812 57.345 0.287 0.000 1.396 408 W CB 0.343 29.921 29.460 0.196 0.000 1.114 408 W HN 0.645 nan 8.180 nan 0.000 0.637 409 A N 0.880 124.034 122.820 0.556 0.000 2.324 409 A HA 0.520 5.048 4.320 0.345 0.000 0.330 409 A C -0.447 177.552 177.584 0.691 0.000 1.165 409 A CA -0.919 51.388 52.037 0.450 0.000 0.813 409 A CB 0.135 19.379 19.000 0.407 0.000 1.197 409 A HN 0.199 nan 8.150 nan 0.000 0.484 410 W N 1.328 122.866 121.300 0.398 0.000 2.186 410 W HA 0.439 5.307 4.660 0.347 0.000 0.355 410 W C 0.030 176.790 176.519 0.401 0.000 1.293 410 W CA -0.895 56.711 57.345 0.436 0.000 1.316 410 W CB -0.526 29.035 29.460 0.167 0.000 1.212 410 W HN 0.941 nan 8.180 nan 0.000 0.610 411 A N 3.143 126.285 122.820 0.537 0.000 2.271 411 A HA 0.661 5.188 4.320 0.345 0.000 0.317 411 A C -0.806 176.868 177.584 0.150 0.000 1.245 411 A CA -0.951 51.277 52.037 0.318 0.000 0.857 411 A CB 0.220 19.381 19.000 0.267 0.000 1.175 411 A HN 0.683 nan 8.150 nan 0.000 0.512 412 L N 4.105 125.329 121.223 0.001 0.000 2.292 412 L HA 0.464 5.011 4.340 0.345 0.000 0.284 412 L C 0.013 176.894 176.870 0.020 0.000 1.065 412 L CA -0.500 54.244 54.840 -0.159 0.000 0.806 412 L CB 0.701 42.607 42.059 -0.255 0.000 1.175 412 L HN 0.870 nan 8.230 nan 0.000 0.431 413 W N 3.541 124.798 121.300 -0.071 0.000 2.762 413 W HA 0.763 5.629 4.660 0.344 0.000 0.355 413 W C -0.918 175.575 176.519 -0.044 0.000 1.124 413 W CA -0.824 56.494 57.345 -0.044 0.000 1.141 413 W CB 1.497 30.937 29.460 -0.032 0.000 1.432 413 W HN 0.656 nan 8.180 nan 0.000 0.586 414 E N 0.787 121.209 120.200 0.369 0.000 2.388 414 E HA 0.639 5.196 4.350 0.345 0.000 0.280 414 E C -2.576 174.199 176.600 0.292 0.000 1.019 414 E CA -1.029 55.511 56.400 0.234 0.000 0.806 414 E CB 2.467 32.180 29.700 0.021 0.000 1.246 414 E HN 0.421 nan 8.360 nan 0.000 0.443 415 L N 1.192 122.563 121.223 0.246 0.000 2.476 415 L HA 0.481 5.029 4.340 0.345 0.000 0.269 415 L C -1.470 175.460 176.870 0.100 0.000 0.965 415 L CA 0.111 55.051 54.840 0.166 0.000 0.845 415 L CB 2.452 44.623 42.059 0.187 0.000 1.259 415 L HN 0.711 nan 8.230 nan 0.000 0.403 416 T N 4.392 118.983 114.554 0.061 0.000 2.743 416 T HA 0.640 5.197 4.350 0.345 0.000 0.292 416 T C -0.913 173.804 174.700 0.029 0.000 0.972 416 T CA -0.176 61.946 62.100 0.037 0.000 0.967 416 T CB 1.129 70.011 68.868 0.024 0.000 0.926 416 T HN 0.422 nan 8.240 nan 0.000 0.459 417 V N 6.435 126.364 119.914 0.024 0.000 2.876 417 V HA 0.622 4.949 4.120 0.345 0.000 0.312 417 V C -2.526 173.573 176.094 0.008 0.000 1.085 417 V CA -2.636 59.673 62.300 0.016 0.000 0.945 417 V CB 2.751 34.584 31.823 0.017 0.000 1.017 417 V HN 0.594 nan 8.190 nan 0.000 0.428 418 P HA 0.367 nan 4.420 nan 0.000 0.280 418 P C -1.215 176.082 177.300 -0.004 0.000 1.244 418 P CA -0.015 63.085 63.100 -0.000 0.000 0.784 418 P CB 1.145 32.844 31.700 -0.002 0.000 0.913 419 V N 0.062 119.974 119.914 -0.004 0.000 2.656 419 V HA 0.581 4.909 4.120 0.345 0.000 0.307 419 V C -0.417 175.673 176.094 -0.007 0.000 1.051 419 V CA -1.098 61.198 62.300 -0.007 0.000 0.893 419 V CB 2.018 33.837 31.823 -0.006 0.000 0.999 419 V HN 0.570 nan 8.190 nan 0.000 0.426 420 E N 4.106 124.300 120.200 -0.009 0.000 2.197 420 E HA 0.707 5.264 4.350 0.345 0.000 0.281 420 E C 0.281 176.877 176.600 -0.007 0.000 0.995 420 E CA -0.535 55.860 56.400 -0.008 0.000 0.808 420 E CB 1.840 31.535 29.700 -0.009 0.000 1.093 420 E HN 1.314 nan 8.360 nan 0.000 0.394 421 A N 3.025 125.842 122.820 -0.006 0.000 2.561 421 A HA 0.367 4.894 4.320 0.345 0.000 0.234 421 A C 1.280 178.860 177.584 -0.006 0.000 1.055 421 A CA 0.799 52.833 52.037 -0.005 0.000 0.756 421 A CB -0.523 18.474 19.000 -0.004 0.000 0.986 421 A HN 1.272 nan 8.150 nan 0.000 0.505 422 G N 1.323 110.120 108.800 -0.006 0.000 2.205 422 G HA2 -0.211 3.956 3.960 0.345 0.000 0.261 422 G HA3 -0.211 3.956 3.960 0.345 0.000 0.261 422 G C 0.566 175.461 174.900 -0.008 0.000 0.980 422 G CA 1.165 46.262 45.100 -0.006 0.000 0.632 422 G HN 2.067 nan 8.290 nan 0.000 0.533 423 T N -0.459 114.090 114.554 -0.010 0.000 2.904 423 T HA 0.630 5.187 4.350 0.345 0.000 0.290 423 T C -0.237 174.455 174.700 -0.013 0.000 1.018 423 T CA -0.423 61.669 62.100 -0.013 0.000 1.075 423 T CB 2.355 71.213 68.868 -0.016 0.000 0.986 423 T HN 0.228 nan 8.240 nan 0.000 0.523 424 E N 1.550 121.740 120.200 -0.016 0.000 2.191 424 E HA 0.530 5.087 4.350 0.345 0.000 0.274 424 E C -0.557 176.029 176.600 -0.024 0.000 0.948 424 E CA -0.636 55.754 56.400 -0.017 0.000 0.802 424 E CB 2.107 31.797 29.700 -0.015 0.000 1.137 424 E HN 0.590 nan 8.360 nan 0.000 0.397 425 L N 0.930 122.138 121.223 -0.025 0.000 2.370 425 L HA 0.448 4.995 4.340 0.345 0.000 0.266 425 L C 0.009 176.857 176.870 -0.037 0.000 1.002 425 L CA -0.742 54.077 54.840 -0.035 0.000 0.818 425 L CB 2.108 44.148 42.059 -0.031 0.000 1.325 425 L HN 0.433 nan 8.230 nan 0.000 0.418 426 E N 3.235 123.404 120.200 -0.052 0.000 2.149 426 E HA 0.412 4.969 4.350 0.345 0.000 0.255 426 E C -1.049 175.510 176.600 -0.069 0.000 0.888 426 E CA -0.502 55.867 56.400 -0.051 0.000 0.742 426 E CB 1.143 30.817 29.700 -0.043 0.000 1.164 426 E HN 0.487 nan 8.360 nan 0.000 0.422 427 I N 4.489 125.027 120.570 -0.054 0.000 2.416 427 I HA 0.210 4.587 4.170 0.345 0.000 0.288 427 I C -0.339 175.755 176.117 -0.039 0.000 1.051 427 I CA -0.552 60.722 61.300 -0.043 0.000 1.375 427 I CB 1.109 39.109 38.000 0.001 0.000 1.407 427 I HN 0.251 nan 8.210 nan 0.000 0.516 428 V N 5.652 125.541 119.914 -0.042 0.000 2.841 428 V HA 0.434 4.761 4.120 0.345 0.000 0.310 428 V C -0.268 175.860 176.094 0.057 0.000 1.090 428 V CA -0.702 61.613 62.300 0.025 0.000 0.930 428 V CB 1.954 33.781 31.823 0.006 0.000 1.014 428 V HN 0.989 nan 8.190 nan 0.000 0.425 429 C N 2.969 122.320 119.300 0.085 0.000 2.634 429 C HA 1.015 5.682 4.460 0.345 0.000 0.313 429 C C -0.784 174.130 174.990 -0.127 0.000 1.198 429 C CA -0.911 58.069 59.018 -0.063 0.000 1.605 429 C CB 1.403 29.066 27.740 -0.129 0.000 2.196 429 C HN 1.096 nan 8.230 nan 0.000 0.486 430 K N 2.042 122.249 120.400 -0.322 0.000 2.525 430 K HA 0.821 5.348 4.320 0.345 0.000 0.254 430 K C -1.095 175.322 176.600 -0.305 0.000 0.934 430 K CA -0.312 55.772 56.287 -0.339 0.000 0.802 430 K CB 1.904 33.965 32.500 -0.732 0.000 1.295 430 K HN 1.190 nan 8.250 nan 0.000 0.433 431 A N 1.982 124.705 122.820 -0.162 0.000 2.350 431 A HA 0.793 5.320 4.320 0.345 0.000 0.318 431 A C -1.024 176.487 177.584 -0.122 0.000 1.132 431 A CA -0.838 51.110 52.037 -0.149 0.000 0.811 431 A CB 1.724 20.688 19.000 -0.062 0.000 1.313 431 A HN 0.419 nan 8.150 nan 0.000 0.454 432 V N 1.973 121.801 119.914 -0.143 0.000 2.709 432 V HA 0.459 4.786 4.120 0.345 0.000 0.308 432 V C -0.902 175.072 176.094 -0.201 0.000 1.062 432 V CA -0.623 61.582 62.300 -0.158 0.000 0.901 432 V CB 1.825 33.540 31.823 -0.181 0.000 1.003 432 V HN 1.124 nan 8.190 nan 0.000 0.425 433 D N 2.170 122.440 120.400 -0.216 0.000 2.569 433 D HA 0.278 5.125 4.640 0.345 0.000 0.266 433 D C 1.214 177.312 176.300 -0.336 0.000 1.164 433 D CA 0.032 53.892 54.000 -0.233 0.000 1.071 433 D CB 1.202 41.894 40.800 -0.180 0.000 1.183 433 D HN 0.413 nan 8.370 nan 0.000 0.613 434 S N -1.326 114.217 115.700 -0.262 0.000 2.500 434 S HA -0.132 4.545 4.470 0.345 0.000 0.239 434 S C 1.580 176.068 174.600 -0.187 0.000 0.989 434 S CA 0.876 58.925 58.200 -0.250 0.000 0.951 434 S CB -0.471 62.629 63.200 -0.167 0.000 0.759 434 S HN 0.416 nan 8.310 nan 0.000 0.523 435 S N -0.445 115.171 115.700 -0.141 0.000 2.577 435 S HA 0.229 4.907 4.470 0.345 0.000 0.219 435 S C -0.199 174.452 174.600 0.085 0.000 0.962 435 S CA -0.674 57.517 58.200 -0.015 0.000 0.921 435 S CB -0.784 62.402 63.200 -0.024 0.000 0.789 435 S HN 0.520 nan 8.310 nan 0.000 0.497 436 Y N 0.849 121.119 120.300 -0.051 0.000 4.409 436 Y HA -0.222 4.535 4.550 0.346 0.000 0.228 436 Y C 0.425 176.299 175.900 -0.044 0.000 1.108 436 Y CA 0.374 58.444 58.100 -0.050 0.000 1.955 436 Y CB -2.478 35.955 38.460 -0.045 0.000 1.615 436 Y HN 0.331 nan 8.280 nan 0.000 0.665 437 N N 0.616 119.325 118.700 0.015 0.000 2.479 437 N HA 0.453 5.400 4.740 0.345 0.000 0.257 437 N C 0.243 175.752 175.510 -0.002 0.000 1.232 437 N CA 0.782 53.838 53.050 0.010 0.000 0.920 437 N CB 1.443 39.921 38.487 -0.014 0.000 1.105 437 N HN 0.190 nan 8.380 nan 0.000 0.444 438 V N -0.922 119.006 119.914 0.023 0.000 3.141 438 V HA 0.492 4.819 4.120 0.345 0.000 0.312 438 V C -0.473 175.668 176.094 0.077 0.000 1.157 438 V CA -1.050 61.270 62.300 0.033 0.000 1.041 438 V CB 1.917 33.766 31.823 0.043 0.000 1.071 438 V HN 0.479 nan 8.190 nan 0.000 0.441 439 Q N 2.160 122.043 119.800 0.138 0.000 2.230 439 Q HA 0.519 5.066 4.340 0.345 0.000 0.253 439 Q C -2.527 173.635 176.000 0.269 0.000 0.919 439 Q CA -1.806 54.126 55.803 0.214 0.000 0.908 439 Q CB 1.883 30.808 28.738 0.311 0.000 1.245 439 Q HN 0.684 nan 8.270 nan 0.000 0.437 440 P HA 0.066 nan 4.420 nan 0.000 0.277 440 P C -0.657 176.321 177.300 -0.537 0.000 1.240 440 P CA -0.217 62.827 63.100 -0.094 0.000 0.798 440 P CB 0.942 32.600 31.700 -0.070 0.000 0.979 441 D N -0.290 119.649 120.400 -0.769 0.000 2.144 441 D HA -0.073 4.774 4.640 0.345 0.000 0.199 441 D C 0.917 176.670 176.300 -0.912 0.000 0.984 441 D CA 1.577 54.649 54.000 -1.547 0.000 0.834 441 D CB -0.185 40.060 40.800 -0.925 0.000 0.955 441 D HN 0.501 nan 8.370 nan 0.000 0.465 442 S N -1.512 113.925 115.700 -0.439 0.000 2.627 442 S HA 0.472 5.149 4.470 0.345 0.000 0.283 442 S C 0.617 175.161 174.600 -0.093 0.000 1.127 442 S CA -0.887 57.184 58.200 -0.214 0.000 0.863 442 S CB 2.075 65.186 63.200 -0.149 0.000 1.121 442 S HN -0.148 nan 8.310 nan 0.000 0.479 443 V N 1.273 121.181 119.914 -0.009 0.000 2.599 443 V HA 0.084 4.411 4.120 0.345 0.000 0.245 443 V C 2.944 179.109 176.094 0.119 0.000 1.046 443 V CA 1.639 63.981 62.300 0.071 0.000 1.065 443 V CB -1.538 30.357 31.823 0.120 0.000 0.703 443 V HN 1.024 nan 8.190 nan 0.000 0.464 444 A N 1.284 124.153 122.820 0.082 0.000 1.903 444 A HA -0.190 4.337 4.320 0.345 0.000 0.219 444 A C 0.552 178.201 177.584 0.108 0.000 1.191 444 A CA 2.512 54.598 52.037 0.081 0.000 0.638 444 A CB -2.011 16.992 19.000 0.005 0.000 0.823 444 A HN 0.572 nan 8.150 nan 0.000 0.451 445 P HA -0.019 nan 4.420 nan 0.000 0.229 445 P C 1.063 178.415 177.300 0.087 0.000 1.160 445 P CA 0.906 64.042 63.100 0.060 0.000 0.777 445 P CB -0.158 31.552 31.700 0.015 0.000 0.814 446 I N -7.059 113.572 120.570 0.102 0.000 3.904 446 I HA 0.333 4.710 4.170 0.345 0.000 0.333 446 I C 0.306 176.503 176.117 0.133 0.000 1.361 446 I CA -0.843 60.513 61.300 0.093 0.000 1.116 446 I CB -0.446 37.587 38.000 0.055 0.000 1.028 446 I HN -0.220 nan 8.210 nan 0.000 0.398 447 W N 4.556 125.866 121.300 0.017 0.000 2.193 447 W HA 0.258 5.129 4.660 0.351 0.000 0.338 447 W C -0.034 176.500 176.519 0.024 0.000 1.310 447 W CA 0.471 57.832 57.345 0.027 0.000 1.243 447 W CB 0.505 29.976 29.460 0.019 0.000 1.165 447 W HN 0.466 nan 8.180 nan 0.000 0.566 448 N N 3.959 122.217 118.700 -0.738 0.000 2.484 448 N HA 0.211 5.159 4.740 0.345 0.000 0.269 448 N C 0.306 175.033 175.510 -1.305 0.000 1.237 448 N CA -0.755 51.891 53.050 -0.673 0.000 0.838 448 N CB 1.038 39.385 38.487 -0.233 0.000 1.593 448 N HN 0.515 nan 8.380 nan 0.000 0.485 449 L N -2.530 118.135 121.223 -0.930 0.000 2.353 449 L HA 0.167 4.715 4.340 0.345 0.000 0.220 449 L C 0.966 177.645 176.870 -0.319 0.000 1.133 449 L CA 0.956 55.352 54.840 -0.740 0.000 0.798 449 L CB -0.189 41.313 42.059 -0.929 0.000 0.922 449 L HN 0.499 nan 8.230 nan 0.000 0.445 450 R N 0.956 121.321 120.500 -0.226 0.000 2.362 450 R HA 0.200 4.747 4.340 0.345 0.000 0.227 450 R C 1.131 177.448 176.300 0.028 0.000 0.905 450 R CA 0.626 56.758 56.100 0.052 0.000 1.067 450 R CB 0.306 30.701 30.300 0.158 0.000 1.078 450 R HN 0.599 nan 8.270 nan 0.000 0.516 451 G N 1.838 110.540 108.800 -0.163 0.000 2.249 451 G HA2 -0.280 3.888 3.960 0.345 0.000 0.273 451 G HA3 -0.280 3.888 3.960 0.345 0.000 0.273 451 G C 0.393 175.306 174.900 0.021 0.000 1.036 451 G CA 0.706 45.742 45.100 -0.107 0.000 0.824 451 G HN 0.265 nan 8.290 nan 0.000 0.504 452 V N -3.104 116.829 119.914 0.031 0.000 3.234 452 V HA 0.795 5.123 4.120 0.345 0.000 0.317 452 V C 1.642 177.764 176.094 0.047 0.000 1.081 452 V CA -0.540 61.817 62.300 0.095 0.000 1.037 452 V CB 1.396 33.323 31.823 0.173 0.000 1.148 452 V HN 1.068 nan 8.190 nan 0.000 0.453 453 L N -0.017 121.244 121.223 0.063 0.000 3.677 453 L HA -0.148 4.399 4.340 0.345 0.000 0.464 453 L C 0.582 177.483 176.870 0.052 0.000 1.278 453 L CA 0.983 55.855 54.840 0.054 0.000 0.806 453 L CB -1.457 40.625 42.059 0.038 0.000 1.610 453 L HN 0.958 nan 8.230 nan 0.000 0.867 454 S N 0.018 115.755 115.700 0.062 0.000 2.464 454 S HA 0.474 5.151 4.470 0.345 0.000 0.313 454 S C 1.012 175.668 174.600 0.094 0.000 1.078 454 S CA 0.150 58.394 58.200 0.073 0.000 1.096 454 S CB 0.375 63.623 63.200 0.079 0.000 1.032 454 S HN 0.460 nan 8.310 nan 0.000 0.498 455 T N 1.337 115.950 114.554 0.099 0.000 3.170 455 T HA 0.531 5.089 4.350 0.345 0.000 0.288 455 T C 0.625 175.410 174.700 0.140 0.000 0.992 455 T CA 0.072 62.247 62.100 0.125 0.000 0.909 455 T CB 0.200 69.141 68.868 0.122 0.000 1.133 455 T HN 0.588 nan 8.240 nan 0.000 0.530 456 A N 1.312 124.197 122.820 0.110 0.000 2.409 456 A HA 0.463 4.991 4.320 0.345 0.000 0.246 456 A C 0.262 177.987 177.584 0.235 0.000 1.099 456 A CA -0.584 51.498 52.037 0.075 0.000 0.789 456 A CB -0.135 18.864 19.000 -0.001 0.000 1.053 456 A HN 0.536 nan 8.150 nan 0.000 0.503 457 W N 0.701 122.075 121.300 0.124 0.000 2.223 457 W HA 0.142 5.008 4.660 0.345 0.000 0.334 457 W C 0.851 177.486 176.519 0.193 0.000 1.334 457 W CA 0.057 57.493 57.345 0.153 0.000 1.246 457 W CB -0.679 28.886 29.460 0.175 0.000 1.184 457 W HN 0.684 nan 8.180 nan 0.000 0.563 458 H N 3.965 123.216 119.070 0.302 0.000 2.610 458 H HA 0.367 5.131 4.556 0.347 0.000 0.336 458 H C -0.365 175.079 175.328 0.194 0.000 1.087 458 H CA -0.208 55.959 56.048 0.199 0.000 1.405 458 H CB 0.671 30.516 29.762 0.138 0.000 1.460 458 H HN 0.340 nan 8.280 nan 0.000 0.538 459 R N 4.059 124.459 120.500 -0.167 0.000 2.513 459 R HA 0.412 4.959 4.340 0.345 0.000 0.301 459 R C -1.454 174.691 176.300 -0.259 0.000 0.968 459 R CA -0.948 55.072 56.100 -0.135 0.000 0.872 459 R CB 2.470 32.786 30.300 0.027 0.000 1.177 459 R HN 0.259 nan 8.270 nan 0.000 0.444 460 V N 3.578 123.376 119.914 -0.194 0.000 2.531 460 V HA 0.428 4.755 4.120 0.345 0.000 0.301 460 V C -0.209 175.848 176.094 -0.061 0.000 1.034 460 V CA -0.997 61.220 62.300 -0.138 0.000 0.865 460 V CB 1.964 33.704 31.823 -0.139 0.000 0.995 460 V HN 0.574 nan 8.190 nan 0.000 0.424 461 R N 3.321 123.801 120.500 -0.034 0.000 2.229 461 R HA 0.704 5.251 4.340 0.345 0.000 0.328 461 R C -0.492 175.801 176.300 -0.012 0.000 1.009 461 R CA -0.104 55.985 56.100 -0.019 0.000 0.864 461 R CB 1.655 31.950 30.300 -0.008 0.000 1.085 461 R HN 0.717 nan 8.270 nan 0.000 0.453 462 V N -1.013 118.894 119.914 -0.012 0.000 3.167 462 V HA 0.825 5.152 4.120 0.345 0.000 0.310 462 V C -0.420 175.669 176.094 -0.008 0.000 1.207 462 V CA -0.879 61.417 62.300 -0.007 0.000 1.059 462 V CB 2.320 34.140 31.823 -0.005 0.000 1.079 462 V HN 0.804 nan 8.190 nan 0.000 0.446 463 S N -0.094 115.603 115.700 -0.005 0.000 2.595 463 S HA 0.859 5.536 4.470 0.345 0.000 0.281 463 S C -0.924 173.673 174.600 -0.005 0.000 1.117 463 S CA -0.702 57.494 58.200 -0.006 0.000 0.873 463 S CB 1.618 64.815 63.200 -0.005 0.000 1.108 463 S HN 1.428 nan 8.310 nan 0.000 0.477 464 V N 2.342 122.253 119.914 -0.006 0.000 2.439 464 V HA 0.367 4.694 4.120 0.345 0.000 0.282 464 V C 0.352 176.444 176.094 -0.004 0.000 1.039 464 V CA -0.710 61.587 62.300 -0.005 0.000 0.913 464 V CB 1.021 32.840 31.823 -0.006 0.000 0.983 464 V HN 0.962 nan 8.190 nan 0.000 0.460 465 Q N 2.710 122.509 119.800 -0.002 0.000 2.326 465 Q HA 0.018 4.565 4.340 0.345 0.000 0.314 465 Q C 0.081 176.079 176.000 -0.002 0.000 1.091 465 Q CA 0.512 56.314 55.803 -0.002 0.000 0.974 465 Q CB 0.429 29.167 28.738 -0.001 0.000 1.220 465 Q HN 0.658 nan 8.270 nan 0.000 0.398 466 D N 0.000 120.399 120.400 -0.002 0.000 6.856 466 D HA 0.000 4.847 4.640 0.345 0.000 0.175 466 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 466 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683