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 1v6y_1_A DATA FIRST_RESID 3 DATA SEQUENCE STLGAAAAQS GRYFGTAIAS GKLGDSAYTT IASREFNMVT AENEMKIDAT DATA SEQUENCE EPQRGQFNFS AGDRVYNWAV QNGKQVRGHT LAWHSQQPGW MQSLSGSTLR DATA SEQUENCE QAMIDHINGV MGHYKGKIAQ WDVVNEAFSD DGSGGRRDSN LQRTGNDWIE DATA SEQUENCE VAFRTARAAD PAAKLcYNDY NIENWTWAKT QGVYNMVRDF KQRGVPIDcV DATA SEQUENCE GFQSHLIVGQ VPGDFRQNLQ RFADLGVDVR ITELDIRMRT PSDATKLATQ DATA SEQUENCE AADYKKVVQA cMQVTRcQGV TVWGITDKYS WVPDVFPGEG AALVWDASYA DATA SEQUENCE KKPAYAAVME AFGSRS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.644 174.600 0.073 0.000 1.055 3 S CA 0.000 58.222 58.200 0.037 0.000 1.107 3 S CB 0.000 63.220 63.200 0.033 0.000 0.593 4 T N -0.658 113.914 114.554 0.030 0.000 2.926 4 T HA 0.759 5.109 4.350 -0.000 0.000 0.289 4 T C 1.100 175.745 174.700 -0.092 0.000 1.054 4 T CA -0.908 61.212 62.100 0.033 0.000 1.015 4 T CB 0.987 69.863 68.868 0.013 0.000 1.167 4 T HN -0.015 nan 8.240 nan 0.000 0.526 5 L N 0.700 121.810 121.223 -0.189 0.000 2.056 5 L HA 0.157 4.497 4.340 -0.000 0.000 0.207 5 L C 3.021 179.716 176.870 -0.291 0.000 1.078 5 L CA 1.555 56.162 54.840 -0.389 0.000 0.749 5 L CB -1.060 40.606 42.059 -0.654 0.000 0.901 5 L HN 0.982 nan 8.230 nan 0.000 0.433 6 G N -0.146 108.594 108.800 -0.099 0.000 2.440 6 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 6 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 6 G C 1.775 176.608 174.900 -0.111 0.000 1.154 6 G CA 0.882 45.975 45.100 -0.013 0.000 0.767 6 G HN 0.459 nan 8.290 nan 0.000 0.552 7 A N 1.086 123.844 122.820 -0.104 0.000 1.898 7 A HA 0.311 4.631 4.320 -0.000 0.000 0.216 7 A C 2.816 180.308 177.584 -0.154 0.000 1.181 7 A CA 2.163 54.142 52.037 -0.097 0.000 0.620 7 A CB -0.746 18.218 19.000 -0.059 0.000 0.819 7 A HN 0.765 nan 8.150 nan 0.000 0.442 8 A N -0.051 122.640 122.820 -0.214 0.000 1.902 8 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 8 A C 2.506 179.836 177.584 -0.424 0.000 1.181 8 A CA 2.098 53.996 52.037 -0.232 0.000 0.623 8 A CB -1.030 17.864 19.000 -0.177 0.000 0.818 8 A HN 1.056 nan 8.150 nan 0.000 0.443 9 A N -0.173 122.134 122.820 -0.855 0.000 1.933 9 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 9 A C 2.462 179.814 177.584 -0.387 0.000 1.175 9 A CA 1.968 53.333 52.037 -1.120 0.000 0.628 9 A CB -0.959 17.322 19.000 -1.198 0.000 0.814 9 A HN 1.098 nan 8.150 nan 0.000 0.444 10 A N -0.739 121.941 122.820 -0.233 0.000 2.019 10 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 10 A C 2.042 179.585 177.584 -0.069 0.000 1.164 10 A CA 1.558 53.538 52.037 -0.094 0.000 0.644 10 A CB -0.557 18.408 19.000 -0.057 0.000 0.805 10 A HN 0.663 nan 8.150 nan 0.000 0.449 11 Q N -0.020 119.728 119.800 -0.085 0.000 2.197 11 Q HA -0.156 4.184 4.340 -0.000 0.000 0.207 11 Q C 1.782 177.770 176.000 -0.019 0.000 0.984 11 Q CA 1.746 57.523 55.803 -0.043 0.000 0.869 11 Q CB -0.209 28.507 28.738 -0.037 0.000 0.906 11 Q HN 0.819 nan 8.270 nan 0.000 0.426 12 S N -1.990 113.699 115.700 -0.018 0.000 2.575 12 S HA 0.362 4.832 4.470 -0.000 0.000 0.237 12 S C 1.022 175.630 174.600 0.014 0.000 0.975 12 S CA 0.129 58.337 58.200 0.013 0.000 0.960 12 S CB 0.949 64.177 63.200 0.047 0.000 0.822 12 S HN 0.461 nan 8.310 nan 0.000 0.472 13 G N 1.363 110.165 108.800 0.004 0.000 2.143 13 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 13 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 13 G C 0.118 175.038 174.900 0.034 0.000 0.991 13 G CA 0.137 45.251 45.100 0.023 0.000 0.689 13 G HN 0.612 nan 8.290 nan 0.000 0.522 14 R N -1.108 119.390 120.500 -0.003 0.000 2.810 14 R HA 0.745 5.085 4.340 -0.000 0.000 0.245 14 R C 0.027 176.322 176.300 -0.009 0.000 1.168 14 R CA -0.554 55.525 56.100 -0.034 0.000 1.096 14 R CB 0.808 31.092 30.300 -0.027 0.000 1.259 14 R HN 0.506 nan 8.270 nan 0.000 0.518 15 Y N -1.613 118.720 120.300 0.056 0.000 2.605 15 Y HA 0.667 5.217 4.550 -0.000 0.000 0.343 15 Y C -1.379 174.639 175.900 0.196 0.000 1.036 15 Y CA -1.814 56.326 58.100 0.066 0.000 1.065 15 Y CB 1.136 39.642 38.460 0.077 0.000 1.288 15 Y HN 0.430 nan 8.280 nan 0.000 0.481 16 F N 1.684 121.830 119.950 0.327 0.000 2.553 16 F HA 0.820 5.347 4.527 -0.000 0.000 0.335 16 F C -0.148 175.992 175.800 0.568 0.000 1.148 16 F CA -0.826 57.410 58.000 0.394 0.000 0.963 16 F CB 1.416 40.545 39.000 0.214 0.000 1.217 16 F HN 0.946 nan 8.300 nan 0.000 0.441 17 G N 2.210 111.122 108.800 0.186 0.000 3.013 17 G HA2 0.638 4.598 3.960 -0.000 0.000 0.278 17 G HA3 0.638 4.598 3.960 -0.000 0.000 0.278 17 G C -1.371 173.391 174.900 -0.231 0.000 1.353 17 G CA -0.727 44.448 45.100 0.126 0.000 1.043 17 G HN 0.663 nan 8.290 nan 0.000 0.523 18 T N -2.029 112.239 114.554 -0.477 0.000 2.816 18 T HA 0.635 4.985 4.350 -0.000 0.000 0.299 18 T C -0.940 173.467 174.700 -0.488 0.000 1.230 18 T CA 0.202 61.904 62.100 -0.663 0.000 1.007 18 T CB 1.354 69.362 68.868 -1.432 0.000 1.289 18 T HN 1.283 nan 8.240 nan 0.000 0.508 19 A N 2.804 125.279 122.820 -0.574 0.000 2.301 19 A HA 0.706 5.026 4.320 -0.000 0.000 0.298 19 A C -0.457 176.806 177.584 -0.534 0.000 1.185 19 A CA -0.559 51.028 52.037 -0.750 0.000 0.830 19 A CB 0.065 18.064 19.000 -1.669 0.000 1.112 19 A HN 0.649 nan 8.150 nan 0.000 0.508 20 I N 1.941 122.277 120.570 -0.390 0.000 2.378 20 I HA 0.459 4.629 4.170 -0.000 0.000 0.291 20 I C 0.490 176.472 176.117 -0.225 0.000 0.992 20 I CA -0.355 60.783 61.300 -0.269 0.000 1.154 20 I CB 1.257 39.077 38.000 -0.300 0.000 1.315 20 I HN 0.699 nan 8.210 nan 0.000 0.448 21 A N 4.392 127.100 122.820 -0.187 0.000 2.253 21 A HA 0.435 4.755 4.320 -0.000 0.000 0.316 21 A C 1.147 178.570 177.584 -0.270 0.000 1.327 21 A CA -0.235 51.657 52.037 -0.241 0.000 0.917 21 A CB 0.490 19.300 19.000 -0.316 0.000 1.162 21 A HN 0.839 nan 8.150 nan 0.000 0.535 22 S N 2.658 118.242 115.700 -0.193 0.000 2.402 22 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 22 S C 1.816 176.292 174.600 -0.206 0.000 1.030 22 S CA 1.737 59.832 58.200 -0.175 0.000 1.003 22 S CB -0.700 62.454 63.200 -0.077 0.000 0.813 22 S HN 1.192 nan 8.310 nan 0.000 0.477 23 G N 1.171 109.838 108.800 -0.222 0.000 2.498 23 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.219 23 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.219 23 G C 1.344 176.038 174.900 -0.343 0.000 1.119 23 G CA 0.655 45.614 45.100 -0.236 0.000 0.766 23 G HN 0.536 nan 8.290 nan 0.000 0.552 24 K N -0.192 119.897 120.400 -0.518 0.000 2.374 24 K HA 0.376 4.696 4.320 -0.000 0.000 0.196 24 K C 1.813 178.107 176.600 -0.511 0.000 1.023 24 K CA -0.184 55.648 56.287 -0.758 0.000 1.103 24 K CB 0.155 31.700 32.500 -1.593 0.000 0.848 24 K HN 0.232 nan 8.250 nan 0.000 0.528 25 L N -0.367 120.668 121.223 -0.314 0.000 2.633 25 L HA -0.020 4.320 4.340 -0.000 0.000 0.235 25 L C 1.605 178.423 176.870 -0.086 0.000 1.163 25 L CA 0.868 55.592 54.840 -0.194 0.000 0.859 25 L CB -0.221 41.684 42.059 -0.255 0.000 0.973 25 L HN 0.298 nan 8.230 nan 0.000 0.451 26 G N -1.907 106.833 108.800 -0.101 0.000 2.796 26 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.210 26 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.210 26 G C 0.423 175.310 174.900 -0.021 0.000 1.146 26 G CA -0.227 44.846 45.100 -0.045 0.000 0.779 26 G HN 0.170 nan 8.290 nan 0.000 0.535 27 D N 1.529 121.911 120.400 -0.030 0.000 2.344 27 D HA 0.114 4.754 4.640 -0.000 0.000 0.253 27 D C 1.974 178.294 176.300 0.033 0.000 1.255 27 D CA 0.328 54.344 54.000 0.028 0.000 0.894 27 D CB 1.193 42.046 40.800 0.088 0.000 1.067 27 D HN 0.179 nan 8.370 nan 0.000 0.492 28 S N 3.574 119.271 115.700 -0.006 0.000 2.370 28 S HA -0.246 4.224 4.470 -0.000 0.000 0.226 28 S C 2.041 176.575 174.600 -0.109 0.000 1.033 28 S CA 1.057 59.240 58.200 -0.028 0.000 1.011 28 S CB -0.304 62.881 63.200 -0.025 0.000 0.852 28 S HN 0.487 nan 8.310 nan 0.000 0.457 29 A N 0.639 123.315 122.820 -0.239 0.000 1.933 29 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 29 A C 2.073 179.279 177.584 -0.631 0.000 1.175 29 A CA 1.538 53.251 52.037 -0.541 0.000 0.628 29 A CB -1.193 17.237 19.000 -0.949 0.000 0.814 29 A HN 0.695 nan 8.150 nan 0.000 0.444 30 Y N 1.670 121.640 120.300 -0.549 0.000 2.133 30 Y HA -0.223 4.327 4.550 0.000 0.000 0.287 30 Y C 2.928 178.738 175.900 -0.151 0.000 1.134 30 Y CA 2.711 60.682 58.100 -0.215 0.000 1.133 30 Y CB -0.602 37.880 38.460 0.038 0.000 0.987 30 Y HN 0.434 nan 8.280 nan 0.000 0.502 31 T N -3.364 111.213 114.554 0.039 0.000 2.833 31 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 31 T C 1.784 176.503 174.700 0.032 0.000 1.054 31 T CA 1.714 63.831 62.100 0.029 0.000 1.135 31 T CB -1.079 67.868 68.868 0.132 0.000 0.869 31 T HN 0.351 nan 8.240 nan 0.000 0.466 32 T N 2.294 116.822 114.554 -0.044 0.000 2.652 32 T HA 0.044 4.394 4.350 -0.000 0.000 0.267 32 T C 1.903 176.564 174.700 -0.065 0.000 1.039 32 T CA 1.571 63.645 62.100 -0.043 0.000 1.153 32 T CB -0.470 68.346 68.868 -0.087 0.000 0.863 32 T HN 0.418 nan 8.240 nan 0.000 0.428 33 I N 1.202 121.662 120.570 -0.184 0.000 2.252 33 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 33 I C 2.914 178.990 176.117 -0.068 0.000 1.102 33 I CA 0.943 62.092 61.300 -0.252 0.000 1.385 33 I CB -0.513 37.117 38.000 -0.616 0.000 1.064 33 I HN 0.186 nan 8.210 nan 0.000 0.414 34 A N 0.975 123.752 122.820 -0.072 0.000 1.883 34 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 34 A C 2.507 180.347 177.584 0.428 0.000 1.186 34 A CA 2.577 54.693 52.037 0.131 0.000 0.624 34 A CB -0.923 17.951 19.000 -0.211 0.000 0.822 34 A HN 0.532 nan 8.150 nan 0.000 0.444 35 S N -0.710 115.202 115.700 0.354 0.000 2.436 35 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 35 S C 1.926 176.580 174.600 0.089 0.000 1.014 35 S CA 0.941 59.260 58.200 0.199 0.000 0.950 35 S CB -0.247 63.013 63.200 0.099 0.000 0.784 35 S HN 0.623 nan 8.310 nan 0.000 0.504 36 R N 0.813 121.360 120.500 0.077 0.000 2.075 36 R HA 0.236 4.576 4.340 -0.000 0.000 0.220 36 R C 2.224 178.536 176.300 0.019 0.000 1.118 36 R CA 1.009 57.130 56.100 0.034 0.000 0.986 36 R CB -0.142 30.172 30.300 0.024 0.000 0.884 36 R HN 0.337 nan 8.270 nan 0.000 0.439 37 E N 0.171 120.351 120.200 -0.033 0.000 2.230 37 E HA 0.024 4.374 4.350 -0.000 0.000 0.192 37 E C -0.063 176.322 176.600 -0.359 0.000 0.987 37 E CA 0.741 57.010 56.400 -0.219 0.000 0.841 37 E CB 0.229 29.717 29.700 -0.353 0.000 0.783 37 E HN 0.102 nan 8.360 nan 0.000 0.481 38 F N 1.383 121.449 119.950 0.194 0.000 2.507 38 F HA 0.265 4.792 4.527 -0.000 0.000 0.327 38 F C 1.373 177.241 175.800 0.112 0.000 1.068 38 F CA -0.940 57.179 58.000 0.198 0.000 0.965 38 F CB 0.834 39.924 39.000 0.149 0.000 1.192 38 F HN -0.174 nan 8.300 nan 0.000 0.476 39 N N 1.133 120.005 118.700 0.287 0.000 2.197 39 N HA 0.214 4.954 4.740 -0.000 0.000 0.228 39 N C -0.690 174.866 175.510 0.077 0.000 1.212 39 N CA 0.048 53.182 53.050 0.140 0.000 0.883 39 N CB 0.959 39.509 38.487 0.105 0.000 1.107 39 N HN 0.624 nan 8.380 nan 0.000 0.519 40 M N 0.872 120.530 119.600 0.096 0.000 2.433 40 M HA 0.530 5.010 4.480 -0.000 0.000 0.290 40 M C -2.223 174.043 176.300 -0.057 0.000 1.173 40 M CA -0.784 54.459 55.300 -0.095 0.000 0.905 40 M CB 2.451 34.842 32.600 -0.347 0.000 1.692 40 M HN -0.174 nan 8.290 nan 0.000 0.462 41 V N 2.877 122.728 119.914 -0.104 0.000 2.709 41 V HA 0.780 4.900 4.120 -0.000 0.000 0.308 41 V C -0.789 175.230 176.094 -0.125 0.000 1.062 41 V CA -0.504 61.743 62.300 -0.089 0.000 0.901 41 V CB 2.611 34.449 31.823 0.024 0.000 1.003 41 V HN 0.909 nan 8.190 nan 0.000 0.425 42 T N 3.433 117.898 114.554 -0.148 0.000 2.841 42 T HA 0.666 5.016 4.350 -0.000 0.000 0.283 42 T C -0.030 174.584 174.700 -0.143 0.000 1.000 42 T CA -0.266 61.763 62.100 -0.119 0.000 0.977 42 T CB 1.687 70.529 68.868 -0.044 0.000 0.979 42 T HN 0.950 nan 8.240 nan 0.000 0.446 43 A N 1.979 124.761 122.820 -0.063 0.000 2.409 43 A HA 0.295 4.615 4.320 -0.000 0.000 0.267 43 A C 1.342 178.910 177.584 -0.028 0.000 1.127 43 A CA -0.348 51.663 52.037 -0.042 0.000 0.795 43 A CB 0.024 19.044 19.000 0.034 0.000 1.061 43 A HN 1.065 nan 8.150 nan 0.000 0.502 44 E N 2.076 122.177 120.200 -0.165 0.000 2.110 44 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 44 E C 0.806 177.477 176.600 0.118 0.000 0.988 44 E CA 1.850 58.128 56.400 -0.203 0.000 0.804 44 E CB 0.081 29.572 29.700 -0.349 0.000 0.745 44 E HN 0.811 nan 8.360 nan 0.000 0.458 45 N N -1.313 117.447 118.700 0.099 0.000 2.113 45 N HA -0.025 4.715 4.740 -0.000 0.000 0.236 45 N C 0.927 176.528 175.510 0.152 0.000 1.263 45 N CA 0.217 53.361 53.050 0.158 0.000 0.831 45 N CB 0.258 38.807 38.487 0.104 0.000 1.259 45 N HN -0.032 nan 8.380 nan 0.000 0.469 46 E N 1.037 121.307 120.200 0.118 0.000 2.273 46 E HA -0.024 4.326 4.350 -0.000 0.000 0.198 46 E C 1.069 177.801 176.600 0.219 0.000 1.002 46 E CA 1.127 57.613 56.400 0.143 0.000 0.828 46 E CB -0.112 29.662 29.700 0.123 0.000 0.747 46 E HN 0.402 nan 8.360 nan 0.000 0.491 47 M N -0.342 119.402 119.600 0.241 0.000 2.496 47 M HA 0.164 4.644 4.480 -0.000 0.000 0.330 47 M C -0.080 176.431 176.300 0.352 0.000 1.133 47 M CA -0.126 55.377 55.300 0.338 0.000 0.964 47 M CB 0.673 33.455 32.600 0.304 0.000 1.401 47 M HN -0.169 nan 8.290 nan 0.000 0.520 48 K N 0.528 121.090 120.400 0.270 0.000 2.118 48 K HA 0.319 4.639 4.320 -0.000 0.000 0.240 48 K C 1.108 177.866 176.600 0.262 0.000 1.035 48 K CA -0.323 56.113 56.287 0.248 0.000 0.899 48 K CB 1.307 33.947 32.500 0.234 0.000 1.085 48 K HN 0.059 nan 8.250 nan 0.000 0.498 49 I N 1.293 121.971 120.570 0.180 0.000 2.127 49 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 49 I C 1.991 178.093 176.117 -0.025 0.000 1.075 49 I CA 1.580 62.864 61.300 -0.027 0.000 1.334 49 I CB -0.516 37.298 38.000 -0.310 0.000 1.040 49 I HN 0.738 nan 8.210 nan 0.000 0.405 50 D N 1.666 122.038 120.400 -0.048 0.000 2.178 50 D HA -0.155 4.485 4.640 -0.000 0.000 0.202 50 D C 1.979 178.297 176.300 0.029 0.000 0.974 50 D CA 1.487 55.460 54.000 -0.044 0.000 0.841 50 D CB -0.338 40.412 40.800 -0.084 0.000 0.953 50 D HN 0.368 nan 8.370 nan 0.000 0.478 51 A N 0.500 123.363 122.820 0.072 0.000 1.970 51 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 51 A C 2.321 179.951 177.584 0.078 0.000 1.170 51 A CA 1.971 54.057 52.037 0.081 0.000 0.645 51 A CB -0.716 18.353 19.000 0.115 0.000 0.816 51 A HN 0.448 nan 8.150 nan 0.000 0.447 52 T N -3.233 111.405 114.554 0.140 0.000 3.044 52 T HA 0.146 4.496 4.350 -0.000 0.000 0.255 52 T C 0.694 175.394 174.700 -0.001 0.000 1.073 52 T CA 0.878 63.026 62.100 0.079 0.000 1.125 52 T CB 0.040 69.101 68.868 0.321 0.000 0.908 52 T HN 0.438 nan 8.240 nan 0.000 0.480 53 E N 1.592 121.852 120.200 0.099 0.000 3.386 53 E HA 0.297 4.647 4.350 -0.000 0.000 0.236 53 E C -2.354 174.313 176.600 0.111 0.000 1.227 53 E CA -2.097 54.258 56.400 -0.075 0.000 0.970 53 E CB 1.350 31.033 29.700 -0.029 0.000 1.343 53 E HN 0.096 nan 8.360 nan 0.000 0.397 54 P HA -0.151 nan 4.420 nan 0.000 0.216 54 P C -0.261 177.140 177.300 0.167 0.000 1.150 54 P CA 1.172 64.335 63.100 0.104 0.000 0.837 54 P CB 0.266 31.965 31.700 -0.001 0.000 0.786 55 Q N -1.083 118.639 119.800 -0.130 0.000 2.375 55 Q HA 0.273 4.613 4.340 -0.000 0.000 0.271 55 Q C -0.269 175.199 176.000 -0.887 0.000 1.074 55 Q CA -0.923 54.597 55.803 -0.472 0.000 0.808 55 Q CB 1.770 30.322 28.738 -0.311 0.000 1.327 55 Q HN 0.017 nan 8.270 nan 0.000 0.441 56 R N 0.074 119.598 120.500 -1.626 0.000 2.504 56 R HA 0.119 4.459 4.340 -0.000 0.000 0.291 56 R C 0.970 176.809 176.300 -0.767 0.000 0.974 56 R CA 1.798 56.964 56.100 -1.558 0.000 1.077 56 R CB -0.169 29.253 30.300 -1.463 0.000 0.926 56 R HN 0.932 nan 8.270 nan 0.000 0.407 57 G N 2.965 111.382 108.800 -0.639 0.000 2.220 57 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.269 57 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.269 57 G C -0.077 174.631 174.900 -0.320 0.000 0.977 57 G CA 0.551 45.447 45.100 -0.340 0.000 0.634 57 G HN 0.647 nan 8.290 nan 0.000 0.539 58 Q N 0.218 119.725 119.800 -0.488 0.000 2.563 58 Q HA 0.551 4.891 4.340 -0.000 0.000 0.232 58 Q C -0.596 175.174 176.000 -0.382 0.000 1.106 58 Q CA -0.518 55.105 55.803 -0.300 0.000 0.913 58 Q CB 0.357 28.948 28.738 -0.245 0.000 1.175 58 Q HN 0.359 nan 8.270 nan 0.000 0.540 59 F N 1.527 121.370 119.950 -0.180 0.000 2.399 59 F HA 0.226 4.753 4.527 0.000 0.000 0.342 59 F C 0.910 176.417 175.800 -0.488 0.000 1.106 59 F CA -0.433 57.333 58.000 -0.390 0.000 1.196 59 F CB 0.691 39.410 39.000 -0.468 0.000 1.163 59 F HN 0.342 nan 8.300 nan 0.000 0.547 60 N N 3.012 121.425 118.700 -0.478 0.000 2.540 60 N HA 0.208 4.948 4.740 -0.000 0.000 0.275 60 N C -0.975 174.269 175.510 -0.444 0.000 1.053 60 N CA -0.350 52.502 53.050 -0.331 0.000 0.876 60 N CB 0.514 38.912 38.487 -0.147 0.000 1.284 60 N HN 0.391 nan 8.380 nan 0.000 0.518 61 F N 1.241 121.159 119.950 -0.054 0.000 2.639 61 F HA 0.275 4.802 4.527 0.000 0.000 0.300 61 F C 2.010 177.846 175.800 0.059 0.000 1.109 61 F CA -0.280 57.676 58.000 -0.073 0.000 1.335 61 F CB 0.276 38.941 39.000 -0.558 0.000 1.014 61 F HN 0.346 nan 8.300 nan 0.000 0.537 62 S N 0.929 116.725 115.700 0.160 0.000 2.351 62 S HA -0.271 4.199 4.470 -0.000 0.000 0.220 62 S C 2.505 177.209 174.600 0.173 0.000 1.035 62 S CA 1.639 59.931 58.200 0.153 0.000 1.031 62 S CB -0.592 62.662 63.200 0.089 0.000 0.928 62 S HN 0.446 nan 8.310 nan 0.000 0.433 63 A N 1.473 124.380 122.820 0.145 0.000 1.877 63 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 63 A C 2.364 180.068 177.584 0.200 0.000 1.186 63 A CA 1.852 53.971 52.037 0.136 0.000 0.620 63 A CB -1.532 17.527 19.000 0.099 0.000 0.822 63 A HN 0.533 nan 8.150 nan 0.000 0.443 64 G N -0.237 108.736 108.800 0.289 0.000 2.446 64 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 64 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 64 G C 1.116 176.286 174.900 0.450 0.000 1.168 64 G CA 1.235 46.569 45.100 0.390 0.000 0.771 64 G HN 0.454 nan 8.290 nan 0.000 0.551 65 D N -0.214 120.483 120.400 0.496 0.000 2.219 65 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 65 D C 2.363 178.886 176.300 0.372 0.000 0.970 65 D CA 0.315 54.612 54.000 0.495 0.000 0.851 65 D CB -0.157 40.895 40.800 0.421 0.000 0.943 65 D HN 0.277 nan 8.370 nan 0.000 0.488 66 R N 0.475 121.140 120.500 0.275 0.000 2.073 66 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 66 R C 2.102 178.538 176.300 0.226 0.000 1.134 66 R CA 1.009 57.234 56.100 0.208 0.000 0.952 66 R CB -0.171 30.212 30.300 0.138 0.000 0.850 66 R HN 0.028 nan 8.270 nan 0.000 0.433 67 V N 0.133 120.171 119.914 0.207 0.000 2.358 67 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 67 V C 1.979 178.227 176.094 0.258 0.000 1.047 67 V CA 1.797 64.209 62.300 0.188 0.000 1.035 67 V CB -0.757 31.127 31.823 0.103 0.000 0.658 67 V HN 0.396 nan 8.190 nan 0.000 0.452 68 Y N 2.126 122.520 120.300 0.157 0.000 2.128 68 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 68 Y C 2.543 178.524 175.900 0.135 0.000 1.154 68 Y CA 2.045 60.219 58.100 0.122 0.000 1.149 68 Y CB -0.451 38.109 38.460 0.167 0.000 0.976 68 Y HN 0.288 nan 8.280 nan 0.000 0.505 69 N N -0.367 118.389 118.700 0.094 0.000 2.084 69 N HA -0.251 4.489 4.740 -0.000 0.000 0.190 69 N C 1.652 177.134 175.510 -0.046 0.000 1.030 69 N CA 1.687 54.725 53.050 -0.020 0.000 0.849 69 N CB -1.332 37.237 38.487 0.135 0.000 1.012 69 N HN 0.648 nan 8.380 nan 0.000 0.423 70 W N 2.112 123.374 121.300 -0.064 0.000 2.317 70 W HA -0.178 4.482 4.660 0.001 0.000 0.318 70 W C 2.468 178.923 176.519 -0.105 0.000 1.227 70 W CA 2.687 59.996 57.345 -0.059 0.000 1.269 70 W CB -0.544 28.902 29.460 -0.023 0.000 1.155 70 W HN 0.110 nan 8.180 nan 0.000 0.484 71 A N -0.072 122.803 122.820 0.091 0.000 1.873 71 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 71 A C 2.041 179.405 177.584 -0.367 0.000 1.193 71 A CA 2.806 54.766 52.037 -0.129 0.000 0.629 71 A CB -1.378 17.642 19.000 0.035 0.000 0.826 71 A HN 0.243 nan 8.150 nan 0.000 0.447 72 V N -0.071 119.590 119.914 -0.421 0.000 2.343 72 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 72 V C 2.720 178.618 176.094 -0.327 0.000 1.051 72 V CA 2.045 64.102 62.300 -0.405 0.000 1.036 72 V CB -0.771 30.723 31.823 -0.548 0.000 0.654 72 V HN 0.549 nan 8.190 nan 0.000 0.451 73 Q N 0.103 119.698 119.800 -0.341 0.000 2.181 73 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 73 Q C 1.597 177.374 176.000 -0.372 0.000 0.980 73 Q CA 1.173 56.792 55.803 -0.306 0.000 0.862 73 Q CB -0.402 28.163 28.738 -0.289 0.000 0.905 73 Q HN 0.654 nan 8.270 nan 0.000 0.429 74 N N -0.445 117.925 118.700 -0.550 0.000 2.295 74 N HA 0.082 4.822 4.740 -0.000 0.000 0.221 74 N C 0.185 175.491 175.510 -0.339 0.000 1.129 74 N CA 0.590 53.318 53.050 -0.537 0.000 0.836 74 N CB 0.832 38.739 38.487 -0.966 0.000 1.040 74 N HN 0.258 nan 8.380 nan 0.000 0.494 75 G N 1.508 110.151 108.800 -0.261 0.000 2.323 75 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.292 75 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.292 75 G C -0.208 174.606 174.900 -0.142 0.000 1.040 75 G CA 0.527 45.525 45.100 -0.171 0.000 0.942 75 G HN 0.309 nan 8.290 nan 0.000 0.506 76 K N -0.449 119.849 120.400 -0.171 0.000 2.318 76 K HA 0.561 4.881 4.320 -0.000 0.000 0.249 76 K C 0.440 176.972 176.600 -0.114 0.000 0.942 76 K CA -0.755 55.466 56.287 -0.110 0.000 0.808 76 K CB 1.714 34.168 32.500 -0.075 0.000 1.189 76 K HN 0.315 nan 8.250 nan 0.000 0.428 77 Q N 0.667 120.407 119.800 -0.100 0.000 2.256 77 Q HA 0.471 4.811 4.340 -0.000 0.000 0.232 77 Q C -0.732 175.194 176.000 -0.122 0.000 0.965 77 Q CA -0.863 54.876 55.803 -0.108 0.000 0.908 77 Q CB 1.588 30.249 28.738 -0.129 0.000 1.209 77 Q HN 0.227 nan 8.270 nan 0.000 0.489 78 V N 1.561 121.411 119.914 -0.108 0.000 2.604 78 V HA 0.403 4.523 4.120 -0.000 0.000 0.305 78 V C -0.480 175.471 176.094 -0.237 0.000 1.043 78 V CA -0.844 61.376 62.300 -0.132 0.000 0.888 78 V CB 1.793 33.595 31.823 -0.035 0.000 0.995 78 V HN 0.653 nan 8.190 nan 0.000 0.429 79 R N 2.509 122.854 120.500 -0.258 0.000 2.229 79 R HA 0.516 4.856 4.340 -0.000 0.000 0.328 79 R C 0.445 176.483 176.300 -0.437 0.000 1.009 79 R CA -0.395 55.525 56.100 -0.301 0.000 0.864 79 R CB 1.602 31.794 30.300 -0.180 0.000 1.085 79 R HN 0.921 nan 8.270 nan 0.000 0.453 80 G N 1.836 110.133 108.800 -0.839 0.000 2.364 80 G HA2 0.127 4.087 3.960 -0.000 0.000 0.267 80 G HA3 0.127 4.087 3.960 -0.000 0.000 0.267 80 G C -0.808 173.876 174.900 -0.359 0.000 1.233 80 G CA 0.103 44.344 45.100 -1.432 0.000 0.885 80 G HN 0.668 nan 8.290 nan 0.000 0.490 81 H N 0.200 119.194 119.070 -0.126 0.000 3.096 81 H HA 0.588 5.144 4.556 -0.000 0.000 0.335 81 H C -0.776 174.701 175.328 0.248 0.000 0.990 81 H CA -0.285 55.831 56.048 0.113 0.000 1.393 81 H CB 2.023 31.812 29.762 0.045 0.000 1.742 81 H HN 0.643 nan 8.280 nan 0.000 0.501 82 T N 4.358 118.877 114.554 -0.060 0.000 2.883 82 T HA 0.297 4.647 4.350 -0.000 0.000 0.301 82 T C 0.496 175.307 174.700 0.186 0.000 1.158 82 T CA -0.685 61.393 62.100 -0.038 0.000 1.007 82 T CB 1.173 69.701 68.868 -0.566 0.000 1.186 82 T HN 0.564 nan 8.240 nan 0.000 0.499 83 L N 1.653 122.983 121.223 0.178 0.000 2.202 83 L HA 0.532 4.872 4.340 -0.000 0.000 0.205 83 L C 1.143 178.156 176.870 0.238 0.000 1.083 83 L CA 0.293 55.229 54.840 0.160 0.000 0.790 83 L CB -0.077 41.952 42.059 -0.050 0.000 0.942 83 L HN 0.691 nan 8.230 nan 0.000 0.452 84 A N -1.106 121.841 122.820 0.212 0.000 2.381 84 A HA 0.567 4.887 4.320 -0.000 0.000 0.299 84 A C -2.067 175.776 177.584 0.431 0.000 1.049 84 A CA -0.212 52.009 52.037 0.307 0.000 0.715 84 A CB 1.231 20.460 19.000 0.383 0.000 1.222 84 A HN 0.153 nan 8.150 nan 0.000 0.428 85 W N 3.582 124.951 121.300 0.115 0.000 3.275 85 W HA 0.379 5.040 4.660 0.000 0.000 0.306 85 W C 0.476 176.992 176.519 -0.005 0.000 1.259 85 W CA -0.777 56.635 57.345 0.111 0.000 1.194 85 W CB 0.822 30.285 29.460 0.005 0.000 1.375 85 W HN 0.833 nan 8.180 nan 0.000 0.564 86 H N 0.886 119.956 119.070 0.000 0.000 2.470 86 H HA 0.156 4.712 4.556 -0.000 0.000 0.289 86 H C 0.493 175.515 175.328 -0.511 0.000 1.033 86 H CA 1.006 56.904 56.048 -0.250 0.000 1.331 86 H CB -0.246 29.430 29.762 -0.145 0.000 1.414 86 H HN 0.101 nan 8.280 nan 0.000 0.545 87 S N 0.277 114.854 115.700 -1.871 0.000 2.632 87 S HA 0.114 4.584 4.470 -0.000 0.000 0.271 87 S C 0.087 173.947 174.600 -1.233 0.000 1.260 87 S CA -0.344 56.831 58.200 -1.708 0.000 1.010 87 S CB 0.494 62.337 63.200 -2.262 0.000 0.965 87 S HN 0.564 nan 8.310 nan 0.000 0.534 88 Q N 0.677 120.020 119.800 -0.763 0.000 2.451 88 Q HA -0.205 4.135 4.340 -0.000 0.000 0.305 88 Q C -0.657 175.144 176.000 -0.333 0.000 1.345 88 Q CA 0.674 56.219 55.803 -0.430 0.000 0.854 88 Q CB -1.286 27.275 28.738 -0.295 0.000 1.162 88 Q HN 0.663 nan 8.270 nan 0.000 0.440 89 Q N 0.960 120.534 119.800 -0.377 0.000 2.235 89 Q HA 0.427 4.767 4.340 -0.000 0.000 0.250 89 Q C -2.003 173.755 176.000 -0.403 0.000 0.909 89 Q CA -1.951 53.612 55.803 -0.400 0.000 0.910 89 Q CB 1.064 29.541 28.738 -0.435 0.000 1.223 89 Q HN 0.116 nan 8.270 nan 0.000 0.432 90 P HA -0.069 nan 4.420 nan 0.000 0.272 90 P C 0.385 177.389 177.300 -0.493 0.000 1.230 90 P CA 0.132 62.969 63.100 -0.438 0.000 0.788 90 P CB 0.658 32.089 31.700 -0.449 0.000 0.949 91 G N 1.966 110.620 108.800 -0.244 0.000 2.505 91 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 91 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 91 G C 1.404 176.216 174.900 -0.145 0.000 1.145 91 G CA 0.582 45.586 45.100 -0.160 0.000 0.761 91 G HN 0.765 nan 8.290 nan 0.000 0.571 92 W N -0.034 121.210 121.300 -0.093 0.000 2.374 92 W HA 0.022 4.682 4.660 -0.000 0.000 0.288 92 W C 2.108 178.571 176.519 -0.094 0.000 1.218 92 W CA 1.058 58.350 57.345 -0.089 0.000 1.245 92 W CB -0.830 28.574 29.460 -0.094 0.000 1.126 92 W HN 0.292 nan 8.180 nan 0.000 0.545 93 M N 1.394 120.386 119.600 -1.013 0.000 2.236 93 M HA -0.147 4.333 4.480 -0.000 0.000 0.266 93 M C 2.518 178.555 176.300 -0.439 0.000 1.070 93 M CA 1.654 56.400 55.300 -0.923 0.000 1.137 93 M CB -0.276 31.487 32.600 -1.396 0.000 1.378 93 M HN -0.024 nan 8.290 nan 0.000 0.426 94 Q N -0.429 119.133 119.800 -0.396 0.000 2.135 94 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 94 Q C 1.939 177.841 176.000 -0.163 0.000 0.981 94 Q CA 2.056 57.706 55.803 -0.254 0.000 0.856 94 Q CB -0.117 28.489 28.738 -0.221 0.000 0.902 94 Q HN 0.513 nan 8.270 nan 0.000 0.425 95 S N 0.353 115.982 115.700 -0.118 0.000 2.428 95 S HA 0.005 4.475 4.470 -0.000 0.000 0.230 95 S C 0.871 175.447 174.600 -0.040 0.000 1.014 95 S CA 0.316 58.482 58.200 -0.057 0.000 0.957 95 S CB -0.035 63.158 63.200 -0.012 0.000 0.784 95 S HN 0.216 nan 8.310 nan 0.000 0.499 96 L N 1.983 123.183 121.223 -0.038 0.000 2.464 96 L HA 0.316 4.656 4.340 -0.000 0.000 0.264 96 L C 0.557 177.396 176.870 -0.051 0.000 1.199 96 L CA -0.314 54.518 54.840 -0.013 0.000 0.818 96 L CB 0.485 42.562 42.059 0.031 0.000 1.102 96 L HN 0.271 nan 8.230 nan 0.000 0.473 97 S N -0.366 115.314 115.700 -0.033 0.000 2.636 97 S HA 0.768 5.238 4.470 -0.000 0.000 0.268 97 S C -0.180 174.403 174.600 -0.028 0.000 1.159 97 S CA -0.312 57.859 58.200 -0.049 0.000 0.815 97 S CB 1.165 64.335 63.200 -0.049 0.000 1.130 97 S HN 1.298 nan 8.310 nan 0.000 0.471 98 G N 1.813 110.594 108.800 -0.032 0.000 2.578 98 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.275 98 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.275 98 G C 1.058 175.959 174.900 0.002 0.000 1.271 98 G CA 1.428 46.520 45.100 -0.013 0.000 0.941 98 G HN 2.245 nan 8.290 nan 0.000 0.564 99 S N -1.549 114.160 115.700 0.014 0.000 2.419 99 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 99 S C 2.190 176.810 174.600 0.034 0.000 1.019 99 S CA 2.619 60.835 58.200 0.027 0.000 0.982 99 S CB -0.732 62.483 63.200 0.026 0.000 0.789 99 S HN 1.128 nan 8.310 nan 0.000 0.490 100 T N 2.625 117.197 114.554 0.030 0.000 2.777 100 T HA 0.071 4.421 4.350 -0.000 0.000 0.266 100 T C 1.658 176.395 174.700 0.062 0.000 1.040 100 T CA 1.213 63.341 62.100 0.046 0.000 1.141 100 T CB -0.519 68.375 68.868 0.043 0.000 0.868 100 T HN 0.308 nan 8.240 nan 0.000 0.444 101 L N 1.506 122.749 121.223 0.034 0.000 2.056 101 L HA 0.076 4.416 4.340 -0.000 0.000 0.207 101 L C 2.451 179.341 176.870 0.033 0.000 1.078 101 L CA 1.671 56.521 54.840 0.016 0.000 0.749 101 L CB -0.587 41.442 42.059 -0.050 0.000 0.901 101 L HN -0.013 nan 8.230 nan 0.000 0.433 102 R N -0.323 120.199 120.500 0.036 0.000 2.083 102 R HA -0.226 4.114 4.340 -0.000 0.000 0.237 102 R C 2.340 178.695 176.300 0.091 0.000 1.137 102 R CA 2.031 58.172 56.100 0.068 0.000 0.951 102 R CB -0.790 29.552 30.300 0.069 0.000 0.851 102 R HN 0.514 nan 8.270 nan 0.000 0.434 103 Q N -0.241 119.610 119.800 0.084 0.000 2.119 103 Q HA 0.073 4.413 4.340 -0.000 0.000 0.201 103 Q C 1.874 177.951 176.000 0.128 0.000 0.972 103 Q CA 2.106 57.965 55.803 0.093 0.000 0.847 103 Q CB -0.476 28.306 28.738 0.073 0.000 0.903 103 Q HN 0.414 nan 8.270 nan 0.000 0.433 104 A N 0.421 123.332 122.820 0.152 0.000 1.933 104 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 104 A C 2.146 179.879 177.584 0.248 0.000 1.175 104 A CA 1.673 53.854 52.037 0.240 0.000 0.628 104 A CB -0.723 18.483 19.000 0.343 0.000 0.814 104 A HN 0.607 nan 8.150 nan 0.000 0.444 105 M N -0.439 119.264 119.600 0.171 0.000 2.086 105 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 105 M C 1.961 178.387 176.300 0.211 0.000 1.067 105 M CA 1.936 57.343 55.300 0.178 0.000 1.116 105 M CB -0.336 32.349 32.600 0.142 0.000 1.348 105 M HN 0.419 nan 8.290 nan 0.000 0.407 106 I N 0.641 121.311 120.570 0.166 0.000 2.179 106 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 106 I C 1.849 178.052 176.117 0.143 0.000 1.088 106 I CA 1.404 62.783 61.300 0.131 0.000 1.357 106 I CB -0.738 37.322 38.000 0.100 0.000 1.051 106 I HN 0.314 nan 8.210 nan 0.000 0.409 107 D N -0.402 120.108 120.400 0.183 0.000 2.144 107 D HA -0.239 4.401 4.640 -0.000 0.000 0.199 107 D C 1.982 178.481 176.300 0.331 0.000 0.984 107 D CA 1.446 55.577 54.000 0.218 0.000 0.834 107 D CB -0.397 40.541 40.800 0.229 0.000 0.955 107 D HN 0.432 nan 8.370 nan 0.000 0.465 108 H N 0.639 119.883 119.070 0.290 0.000 2.321 108 H HA -0.001 4.555 4.556 0.000 0.000 0.300 108 H C 2.186 177.640 175.328 0.209 0.000 1.087 108 H CA 1.224 57.498 56.048 0.376 0.000 1.319 108 H CB -0.326 29.606 29.762 0.283 0.000 1.379 108 H HN 0.054 nan 8.280 nan 0.000 0.501 109 I N 0.205 120.819 120.570 0.075 0.000 2.127 109 I HA -0.341 3.829 4.170 -0.000 0.000 0.241 109 I C 2.142 178.153 176.117 -0.177 0.000 1.075 109 I CA 1.393 62.629 61.300 -0.106 0.000 1.334 109 I CB -0.379 37.590 38.000 -0.051 0.000 1.040 109 I HN 0.378 nan 8.210 nan 0.000 0.405 110 N N 1.166 119.811 118.700 -0.091 0.000 2.069 110 N HA -0.152 4.587 4.740 -0.000 0.000 0.191 110 N C 1.871 177.252 175.510 -0.215 0.000 1.031 110 N CA 1.830 54.808 53.050 -0.119 0.000 0.852 110 N CB -0.821 37.635 38.487 -0.053 0.000 1.018 110 N HN 0.468 nan 8.380 nan 0.000 0.423 111 G N 1.107 109.732 108.800 -0.291 0.000 2.433 111 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 111 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 111 G C 1.794 176.377 174.900 -0.527 0.000 1.186 111 G CA 0.953 45.626 45.100 -0.712 0.000 0.779 111 G HN 0.199 nan 8.290 nan 0.000 0.543 112 V N 1.065 120.770 119.914 -0.348 0.000 2.295 112 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 112 V C 2.925 178.909 176.094 -0.184 0.000 1.049 112 V CA 2.117 64.355 62.300 -0.102 0.000 1.024 112 V CB -0.431 31.290 31.823 -0.171 0.000 0.648 112 V HN 0.354 nan 8.190 nan 0.000 0.447 113 M N 0.150 119.551 119.600 -0.332 0.000 2.229 113 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 113 M C 2.262 178.465 176.300 -0.161 0.000 1.063 113 M CA 1.817 56.950 55.300 -0.277 0.000 1.114 113 M CB -0.809 31.574 32.600 -0.362 0.000 1.387 113 M HN 0.505 nan 8.290 nan 0.000 0.420 114 G N -0.929 107.746 108.800 -0.208 0.000 2.422 114 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 114 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 114 G C 1.185 175.933 174.900 -0.254 0.000 1.146 114 G CA 1.280 46.264 45.100 -0.194 0.000 0.769 114 G HN 0.484 nan 8.290 nan 0.000 0.547 115 H N -0.817 117.951 119.070 -0.504 0.000 2.357 115 H HA 0.012 4.568 4.556 0.000 0.000 0.301 115 H C 1.442 176.326 175.328 -0.740 0.000 1.082 115 H CA 1.211 56.772 56.048 -0.813 0.000 1.342 115 H CB -0.040 28.695 29.762 -1.710 0.000 1.389 115 H HN 0.394 nan 8.280 nan 0.000 0.511 116 Y N 0.549 120.671 120.300 -0.297 0.000 2.468 116 Y HA 0.190 4.740 4.550 -0.000 0.000 0.268 116 Y C 0.717 176.541 175.900 -0.126 0.000 1.177 116 Y CA -0.302 57.659 58.100 -0.231 0.000 1.265 116 Y CB -0.066 38.440 38.460 0.077 0.000 1.103 116 Y HN 0.019 nan 8.280 nan 0.000 0.522 117 K N 0.696 121.082 120.400 -0.022 0.000 2.491 117 K HA 0.121 4.441 4.320 -0.000 0.000 0.279 117 K C 1.278 177.865 176.600 -0.021 0.000 1.026 117 K CA 1.277 57.563 56.287 -0.001 0.000 1.070 117 K CB -0.173 32.294 32.500 -0.055 0.000 0.887 117 K HN 0.586 nan 8.250 nan 0.000 0.481 118 G N 3.742 112.557 108.800 0.025 0.000 2.205 118 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.261 118 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.261 118 G C 0.737 175.654 174.900 0.027 0.000 0.980 118 G CA 0.753 45.864 45.100 0.017 0.000 0.632 118 G HN 0.717 nan 8.290 nan 0.000 0.533 119 K N -0.739 119.665 120.400 0.007 0.000 2.262 119 K HA 0.440 4.760 4.320 -0.000 0.000 0.200 119 K C 0.854 177.493 176.600 0.065 0.000 1.058 119 K CA 0.473 56.757 56.287 -0.006 0.000 0.974 119 K CB 0.694 32.966 32.500 -0.380 0.000 0.910 119 K HN 0.380 nan 8.250 nan 0.000 0.484 120 I N 0.976 121.554 120.570 0.014 0.000 2.362 120 I HA 0.180 4.350 4.170 -0.000 0.000 0.289 120 I C 0.307 176.423 176.117 -0.003 0.000 0.994 120 I CA -0.407 60.851 61.300 -0.071 0.000 1.158 120 I CB 1.934 39.729 38.000 -0.342 0.000 1.315 120 I HN 0.086 nan 8.210 nan 0.000 0.451 121 A N 5.750 128.554 122.820 -0.026 0.000 2.238 121 A HA 0.115 4.435 4.320 -0.000 0.000 0.210 121 A C 0.525 178.134 177.584 0.040 0.000 1.179 121 A CA 0.362 52.420 52.037 0.034 0.000 0.827 121 A CB 0.026 19.045 19.000 0.032 0.000 0.856 121 A HN 0.779 nan 8.150 nan 0.000 0.488 122 Q N -2.237 117.517 119.800 -0.076 0.000 2.315 122 Q HA 0.578 4.918 4.340 -0.000 0.000 0.273 122 Q C -1.923 173.967 176.000 -0.184 0.000 1.053 122 Q CA -0.800 54.993 55.803 -0.016 0.000 0.817 122 Q CB 1.141 29.880 28.738 0.002 0.000 1.326 122 Q HN 0.307 nan 8.270 nan 0.000 0.423 123 W N 1.130 122.468 121.300 0.063 0.000 2.915 123 W HA 0.373 5.033 4.660 -0.000 0.000 0.337 123 W C -0.956 175.600 176.519 0.062 0.000 1.102 123 W CA -0.433 56.943 57.345 0.052 0.000 1.224 123 W CB 2.103 31.583 29.460 0.033 0.000 1.416 123 W HN 0.555 nan 8.180 nan 0.000 0.503 124 D N 2.614 123.212 120.400 0.330 0.000 2.468 124 D HA 0.127 4.767 4.640 -0.000 0.000 0.218 124 D C 1.112 177.516 176.300 0.175 0.000 1.155 124 D CA 0.153 54.273 54.000 0.201 0.000 0.924 124 D CB 1.246 42.160 40.800 0.189 0.000 1.029 124 D HN 0.070 nan 8.370 nan 0.000 0.515 125 V N 1.792 121.749 119.914 0.071 0.000 2.237 125 V HA -0.135 3.985 4.120 -0.000 0.000 0.245 125 V C 1.141 177.159 176.094 -0.128 0.000 1.046 125 V CA 1.076 63.288 62.300 -0.147 0.000 1.007 125 V CB -0.029 31.418 31.823 -0.627 0.000 0.638 125 V HN 0.259 nan 8.190 nan 0.000 0.445 126 V N 0.714 120.548 119.914 -0.133 0.000 2.513 126 V HA 0.495 4.615 4.120 -0.000 0.000 0.299 126 V C -0.590 175.502 176.094 -0.003 0.000 1.035 126 V CA -0.633 61.710 62.300 0.071 0.000 0.889 126 V CB 1.625 33.552 31.823 0.174 0.000 0.988 126 V HN 0.519 nan 8.190 nan 0.000 0.440 127 N N 1.969 120.689 118.700 0.034 0.000 2.296 127 N HA 0.345 5.085 4.740 -0.000 0.000 0.294 127 N C -0.443 175.128 175.510 0.103 0.000 1.033 127 N CA -0.545 52.373 53.050 -0.219 0.000 0.839 127 N CB 1.369 39.445 38.487 -0.684 0.000 1.395 127 N HN 0.754 nan 8.380 nan 0.000 0.479 128 E N 1.160 121.408 120.200 0.080 0.000 2.210 128 E HA -0.263 4.087 4.350 -0.000 0.000 0.201 128 E C -0.071 176.832 176.600 0.504 0.000 1.339 128 E CA 0.570 57.189 56.400 0.366 0.000 0.699 128 E CB -1.453 28.644 29.700 0.662 0.000 1.126 128 E HN 0.582 nan 8.360 nan 0.000 0.355 129 A N 0.051 123.216 122.820 0.576 0.000 2.169 129 A HA 0.174 4.494 4.320 -0.000 0.000 0.212 129 A C 0.384 178.023 177.584 0.092 0.000 1.153 129 A CA 0.402 52.714 52.037 0.457 0.000 0.756 129 A CB 0.215 19.439 19.000 0.373 0.000 0.813 129 A HN 0.250 nan 8.150 nan 0.000 0.471 130 F N -0.304 119.764 119.950 0.197 0.000 2.397 130 F HA 0.483 5.010 4.527 -0.000 0.000 0.331 130 F C 1.051 176.863 175.800 0.020 0.000 1.090 130 F CA -0.571 57.476 58.000 0.079 0.000 1.065 130 F CB 1.418 40.442 39.000 0.039 0.000 1.184 130 F HN -0.038 nan 8.300 nan 0.000 0.499 131 S N 0.504 116.292 115.700 0.147 0.000 2.589 131 S HA 0.076 4.546 4.470 -0.000 0.000 0.265 131 S C 0.387 175.033 174.600 0.076 0.000 1.342 131 S CA -0.421 57.826 58.200 0.078 0.000 1.005 131 S CB 0.374 63.604 63.200 0.050 0.000 0.909 131 S HN 0.638 nan 8.310 nan 0.000 0.555 132 D N 0.577 121.015 120.400 0.063 0.000 2.440 132 D HA 0.080 4.720 4.640 -0.000 0.000 0.216 132 D C 0.652 176.973 176.300 0.036 0.000 1.150 132 D CA 0.048 54.082 54.000 0.056 0.000 0.832 132 D CB 0.179 41.052 40.800 0.123 0.000 0.992 132 D HN 0.731 nan 8.370 nan 0.000 0.502 133 D N 0.086 120.506 120.400 0.034 0.000 2.348 133 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 133 D C 1.593 177.898 176.300 0.010 0.000 0.970 133 D CA 1.010 55.023 54.000 0.020 0.000 0.889 133 D CB -0.024 40.787 40.800 0.019 0.000 0.912 133 D HN 0.224 nan 8.370 nan 0.000 0.524 134 G N -0.121 108.685 108.800 0.009 0.000 2.176 134 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.232 134 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.232 134 G C 1.114 176.023 174.900 0.014 0.000 0.986 134 G CA 0.805 45.904 45.100 -0.002 0.000 0.643 134 G HN 0.658 nan 8.290 nan 0.000 0.522 135 S N -0.335 115.382 115.700 0.028 0.000 2.470 135 S HA 0.399 4.869 4.470 -0.000 0.000 0.225 135 S C 2.346 176.977 174.600 0.050 0.000 1.006 135 S CA 1.571 59.791 58.200 0.033 0.000 0.934 135 S CB 0.165 63.386 63.200 0.034 0.000 0.778 135 S HN 2.364 nan 8.310 nan 0.000 0.517 136 G N 0.563 109.408 108.800 0.075 0.000 2.159 136 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.256 136 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.256 136 G C 0.404 175.438 174.900 0.223 0.000 0.977 136 G CA 0.026 45.189 45.100 0.106 0.000 0.652 136 G HN 1.069 nan 8.290 nan 0.000 0.531 137 G N -0.838 108.068 108.800 0.177 0.000 2.535 137 G HA2 0.602 4.562 3.960 -0.000 0.000 0.303 137 G HA3 0.602 4.562 3.960 -0.000 0.000 0.303 137 G C 0.302 175.252 174.900 0.082 0.000 1.237 137 G CA -0.789 44.404 45.100 0.154 0.000 0.986 137 G HN 0.336 nan 8.290 nan 0.000 0.494 138 R N -0.204 120.218 120.500 -0.130 0.000 2.734 138 R HA 0.098 4.438 4.340 -0.000 0.000 0.266 138 R C 0.647 176.880 176.300 -0.111 0.000 1.044 138 R CA -0.310 55.601 56.100 -0.314 0.000 1.128 138 R CB 0.438 30.601 30.300 -0.228 0.000 1.010 138 R HN 0.609 nan 8.270 nan 0.000 0.461 139 R N 1.461 121.905 120.500 -0.094 0.000 2.389 139 R HA -0.037 4.303 4.340 -0.000 0.000 0.295 139 R C -0.564 175.693 176.300 -0.071 0.000 1.075 139 R CA -0.197 55.862 56.100 -0.068 0.000 1.005 139 R CB 0.401 30.635 30.300 -0.110 0.000 0.987 139 R HN 0.442 nan 8.270 nan 0.000 0.452 140 D N 3.131 123.488 120.400 -0.072 0.000 2.498 140 D HA 0.025 4.665 4.640 -0.000 0.000 0.229 140 D C -0.619 175.619 176.300 -0.103 0.000 1.188 140 D CA 0.025 53.982 54.000 -0.071 0.000 1.028 140 D CB 0.260 41.030 40.800 -0.049 0.000 1.087 140 D HN 0.512 nan 8.370 nan 0.000 0.510 141 S N 2.061 117.676 115.700 -0.140 0.000 2.739 141 S HA 0.271 4.741 4.470 -0.000 0.000 0.306 141 S C 1.414 175.891 174.600 -0.206 0.000 1.115 141 S CA -0.804 57.298 58.200 -0.163 0.000 0.985 141 S CB 1.187 64.288 63.200 -0.165 0.000 1.133 141 S HN 0.357 nan 8.310 nan 0.000 0.541 142 N N 1.148 119.729 118.700 -0.198 0.000 2.205 142 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 142 N C 1.481 176.810 175.510 -0.301 0.000 1.015 142 N CA 1.442 54.369 53.050 -0.206 0.000 0.862 142 N CB -1.046 37.331 38.487 -0.182 0.000 0.986 142 N HN 0.664 nan 8.380 nan 0.000 0.429 143 L N -0.360 120.577 121.223 -0.476 0.000 2.027 143 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 143 L C 2.774 179.030 176.870 -1.023 0.000 1.074 143 L CA 1.294 55.647 54.840 -0.812 0.000 0.745 143 L CB -0.551 40.711 42.059 -1.328 0.000 0.898 143 L HN 0.213 nan 8.230 nan 0.000 0.433 144 Q N 0.751 120.028 119.800 -0.872 0.000 2.170 144 Q HA -0.181 4.159 4.340 -0.000 0.000 0.203 144 Q C 2.110 178.021 176.000 -0.148 0.000 0.976 144 Q CA 1.575 57.145 55.803 -0.389 0.000 0.858 144 Q CB -0.095 28.600 28.738 -0.072 0.000 0.907 144 Q HN 0.291 nan 8.270 nan 0.000 0.433 145 R N -0.467 119.929 120.500 -0.174 0.000 2.280 145 R HA -0.020 4.320 4.340 -0.000 0.000 0.207 145 R C 1.858 178.121 176.300 -0.062 0.000 1.043 145 R CA 1.313 57.360 56.100 -0.089 0.000 1.006 145 R CB -0.187 30.058 30.300 -0.091 0.000 0.885 145 R HN 0.488 nan 8.270 nan 0.000 0.467 146 T N -2.708 111.792 114.554 -0.090 0.000 3.088 146 T HA 0.191 4.541 4.350 -0.000 0.000 0.259 146 T C 0.800 175.528 174.700 0.047 0.000 1.122 146 T CA 0.480 62.564 62.100 -0.027 0.000 1.095 146 T CB 0.637 69.482 68.868 -0.038 0.000 0.930 146 T HN 0.302 nan 8.240 nan 0.000 0.508 147 G N 0.686 109.538 108.800 0.086 0.000 2.306 147 G HA2 0.079 4.039 3.960 -0.000 0.000 0.340 147 G HA3 0.079 4.039 3.960 -0.000 0.000 0.340 147 G C -0.160 174.904 174.900 0.273 0.000 1.630 147 G CA -0.303 44.883 45.100 0.144 0.000 0.937 147 G HN 0.073 nan 8.290 nan 0.000 0.693 148 N N 0.323 119.144 118.700 0.202 0.000 2.364 148 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 148 N C 1.782 177.394 175.510 0.171 0.000 1.022 148 N CA 1.969 55.141 53.050 0.204 0.000 0.883 148 N CB 0.176 38.726 38.487 0.105 0.000 0.965 148 N HN 0.629 nan 8.380 nan 0.000 0.438 149 D N -0.352 120.148 120.400 0.166 0.000 2.349 149 D HA -0.125 4.515 4.640 -0.000 0.000 0.224 149 D C 1.719 178.103 176.300 0.139 0.000 1.029 149 D CA -0.041 54.027 54.000 0.113 0.000 0.879 149 D CB -0.934 39.921 40.800 0.093 0.000 0.906 149 D HN 0.583 nan 8.370 nan 0.000 0.528 150 W N 1.406 122.754 121.300 0.079 0.000 2.342 150 W HA -0.165 4.495 4.660 0.000 0.000 0.297 150 W C 1.298 177.896 176.519 0.132 0.000 1.213 150 W CA 0.118 57.514 57.345 0.085 0.000 1.251 150 W CB -0.844 28.657 29.460 0.068 0.000 1.136 150 W HN -0.136 nan 8.180 nan 0.000 0.526 151 I N 1.674 121.853 120.570 -0.652 0.000 2.113 151 I HA -0.283 3.886 4.170 -0.000 0.000 0.238 151 I C 2.653 178.807 176.117 0.061 0.000 1.070 151 I CA 2.256 63.263 61.300 -0.488 0.000 1.332 151 I CB -1.638 36.156 38.000 -0.343 0.000 1.044 151 I HN 0.100 nan 8.210 nan 0.000 0.402 152 E N 1.123 121.336 120.200 0.023 0.000 2.097 152 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 152 E C 2.304 178.883 176.600 -0.035 0.000 1.000 152 E CA 1.752 58.040 56.400 -0.186 0.000 0.804 152 E CB 0.140 29.676 29.700 -0.274 0.000 0.740 152 E HN 0.256 nan 8.360 nan 0.000 0.454 153 V N 1.112 121.041 119.914 0.026 0.000 2.407 153 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 153 V C 2.447 178.582 176.094 0.069 0.000 1.055 153 V CA 1.773 64.108 62.300 0.058 0.000 1.049 153 V CB -0.777 31.110 31.823 0.107 0.000 0.662 153 V HN 0.446 nan 8.190 nan 0.000 0.455 154 A N -0.642 122.225 122.820 0.078 0.000 1.933 154 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 154 A C 2.025 179.558 177.584 -0.085 0.000 1.175 154 A CA 1.712 53.754 52.037 0.009 0.000 0.628 154 A CB -0.635 18.356 19.000 -0.014 0.000 0.814 154 A HN 0.467 nan 8.150 nan 0.000 0.444 155 F N -0.236 119.709 119.950 -0.008 0.000 2.163 155 F HA -0.029 4.498 4.527 -0.000 0.000 0.297 155 F C 2.570 178.346 175.800 -0.040 0.000 1.094 155 F CA 1.471 59.461 58.000 -0.016 0.000 1.290 155 F CB -0.230 38.737 39.000 -0.056 0.000 1.017 155 F HN 0.083 nan 8.300 nan 0.000 0.483 156 R N -0.555 120.008 120.500 0.105 0.000 2.096 156 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 156 R C 2.059 178.378 176.300 0.031 0.000 1.127 156 R CA 1.865 57.990 56.100 0.041 0.000 0.968 156 R CB -0.941 29.360 30.300 0.001 0.000 0.861 156 R HN 0.213 nan 8.270 nan 0.000 0.440 157 T N 0.939 115.508 114.554 0.024 0.000 2.708 157 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 157 T C 1.991 176.681 174.700 -0.016 0.000 1.037 157 T CA 1.402 63.506 62.100 0.007 0.000 1.146 157 T CB -0.263 68.613 68.868 0.013 0.000 0.865 157 T HN 0.366 nan 8.240 nan 0.000 0.435 158 A N 1.836 124.637 122.820 -0.032 0.000 1.883 158 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 158 A C 2.277 179.858 177.584 -0.005 0.000 1.186 158 A CA 2.067 54.068 52.037 -0.060 0.000 0.624 158 A CB -0.577 18.370 19.000 -0.088 0.000 0.822 158 A HN 0.338 nan 8.150 nan 0.000 0.444 159 R N 0.123 120.649 120.500 0.044 0.000 2.073 159 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 159 R C 2.162 178.478 176.300 0.026 0.000 1.134 159 R CA 2.003 58.136 56.100 0.055 0.000 0.952 159 R CB -0.860 29.480 30.300 0.068 0.000 0.850 159 R HN 0.395 nan 8.270 nan 0.000 0.433 160 A N 0.151 122.979 122.820 0.013 0.000 1.933 160 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 160 A C 2.368 179.947 177.584 -0.009 0.000 1.175 160 A CA 1.792 53.831 52.037 0.003 0.000 0.628 160 A CB -1.033 17.968 19.000 0.001 0.000 0.814 160 A HN 0.504 nan 8.150 nan 0.000 0.444 161 A N -1.473 121.333 122.820 -0.024 0.000 1.930 161 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 161 A C 0.960 178.523 177.584 -0.035 0.000 1.175 161 A CA 1.670 53.679 52.037 -0.046 0.000 0.627 161 A CB -0.046 18.902 19.000 -0.086 0.000 0.815 161 A HN 0.406 nan 8.150 nan 0.000 0.443 162 D N -2.214 118.178 120.400 -0.013 0.000 2.323 162 D HA 0.215 4.855 4.640 -0.000 0.000 0.242 162 D C -2.379 173.947 176.300 0.043 0.000 1.347 162 D CA -1.400 52.610 54.000 0.016 0.000 0.988 162 D CB 1.366 42.188 40.800 0.036 0.000 1.314 162 D HN 0.011 nan 8.370 nan 0.000 0.564 163 P HA -0.033 nan 4.420 nan 0.000 0.228 163 P C 0.846 178.182 177.300 0.059 0.000 1.151 163 P CA 0.405 63.532 63.100 0.045 0.000 0.770 163 P CB 0.439 32.158 31.700 0.031 0.000 0.786 164 A N -0.411 122.448 122.820 0.064 0.000 2.147 164 A HA 0.453 4.773 4.320 -0.000 0.000 0.211 164 A C 1.410 179.053 177.584 0.099 0.000 1.160 164 A CA 0.240 52.320 52.037 0.072 0.000 0.781 164 A CB -0.536 18.499 19.000 0.059 0.000 0.842 164 A HN 0.265 nan 8.150 nan 0.000 0.475 165 A N 0.765 123.664 122.820 0.131 0.000 2.401 165 A HA 0.463 4.783 4.320 -0.000 0.000 0.259 165 A C 0.049 177.743 177.584 0.183 0.000 1.103 165 A CA -0.359 51.789 52.037 0.185 0.000 0.789 165 A CB 0.028 19.207 19.000 0.299 0.000 1.035 165 A HN 0.402 nan 8.150 nan 0.000 0.491 166 K N 1.996 122.500 120.400 0.174 0.000 2.339 166 K HA 0.331 4.651 4.320 -0.000 0.000 0.286 166 K C -0.988 175.754 176.600 0.238 0.000 1.050 166 K CA 0.274 56.666 56.287 0.175 0.000 0.956 166 K CB 0.537 33.124 32.500 0.145 0.000 0.990 166 K HN 0.573 nan 8.250 nan 0.000 0.475 167 L N 4.366 125.754 121.223 0.275 0.000 2.262 167 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 167 L C -0.424 176.728 176.870 0.471 0.000 1.035 167 L CA -0.907 54.169 54.840 0.394 0.000 0.820 167 L CB 0.950 43.303 42.059 0.490 0.000 1.204 167 L HN 0.680 nan 8.230 nan 0.000 0.424 168 c N 2.011 120.865 118.600 0.425 0.000 2.391 168 c HA 0.447 5.017 4.570 -0.000 0.000 0.339 168 c C -0.103 174.282 174.090 0.490 0.000 1.205 168 c CA -0.891 55.664 56.329 0.377 0.000 1.937 168 c CB 1.251 43.887 42.510 0.211 0.000 2.341 168 c HN 0.608 nan 8.230 nan 0.000 0.516 169 Y N 2.554 123.061 120.300 0.345 0.000 2.330 169 Y HA 0.516 5.066 4.550 -0.000 0.000 0.336 169 Y C -0.197 175.750 175.900 0.078 0.000 1.036 169 Y CA -0.324 57.975 58.100 0.332 0.000 1.125 169 Y CB 0.521 39.116 38.460 0.224 0.000 1.194 169 Y HN 0.783 nan 8.280 nan 0.000 0.469 170 N N 4.281 122.505 118.700 -0.794 0.000 2.321 170 N HA 0.416 5.156 4.740 -0.000 0.000 0.299 170 N C -2.020 173.084 175.510 -0.677 0.000 1.048 170 N CA -0.318 52.390 53.050 -0.570 0.000 0.836 170 N CB 1.270 39.587 38.487 -0.284 0.000 1.269 170 N HN 0.773 nan 8.380 nan 0.000 0.486 171 D N 0.338 120.500 120.400 -0.396 0.000 2.671 171 D HA 0.264 4.904 4.640 -0.000 0.000 0.273 171 D C -1.448 174.854 176.300 0.003 0.000 1.264 171 D CA -0.260 53.636 54.000 -0.173 0.000 0.788 171 D CB 0.967 41.705 40.800 -0.103 0.000 1.324 171 D HN 0.423 nan 8.370 nan 0.000 0.424 172 Y N -0.629 119.728 120.300 0.096 0.000 2.621 172 Y HA 0.529 5.079 4.550 -0.000 0.000 0.334 172 Y C 0.522 176.566 175.900 0.241 0.000 1.074 172 Y CA -0.974 57.240 58.100 0.190 0.000 1.149 172 Y CB 0.593 39.240 38.460 0.312 0.000 1.302 172 Y HN 0.555 nan 8.280 nan 0.000 0.501 173 N N 0.856 119.834 118.700 0.464 0.000 2.740 173 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 173 N C -0.413 175.418 175.510 0.535 0.000 1.062 173 N CA 0.921 54.251 53.050 0.467 0.000 0.704 173 N CB -1.082 37.525 38.487 0.200 0.000 0.968 173 N HN 0.787 nan 8.380 nan 0.000 0.547 174 I N -4.061 116.765 120.570 0.427 0.000 3.597 174 I HA 0.272 4.442 4.170 -0.000 0.000 0.323 174 I C 0.356 176.605 176.117 0.219 0.000 1.535 174 I CA -0.499 60.959 61.300 0.262 0.000 1.028 174 I CB 0.624 38.617 38.000 -0.011 0.000 1.354 174 I HN -0.177 nan 8.210 nan 0.000 0.544 175 E N 1.291 121.576 120.200 0.141 0.000 2.474 175 E HA 0.161 4.511 4.350 -0.000 0.000 0.194 175 E C 0.280 176.603 176.600 -0.462 0.000 1.041 175 E CA 0.173 56.480 56.400 -0.156 0.000 0.874 175 E CB 0.119 29.841 29.700 0.036 0.000 0.914 175 E HN 0.404 nan 8.360 nan 0.000 0.498 176 N N -0.028 118.167 118.700 -0.841 0.000 2.399 176 N HA -0.015 4.725 4.740 -0.000 0.000 0.280 176 N C -0.218 174.946 175.510 -0.577 0.000 1.008 176 N CA -0.444 52.010 53.050 -0.992 0.000 0.894 176 N CB 0.685 37.919 38.487 -2.089 0.000 1.273 176 N HN 0.130 nan 8.380 nan 0.000 0.486 177 W N 3.634 124.696 121.300 -0.397 0.000 2.364 177 W HA -0.187 4.473 4.660 0.000 0.000 0.281 177 W C 1.131 177.537 176.519 -0.188 0.000 1.219 177 W CA 2.114 59.316 57.345 -0.240 0.000 1.220 177 W CB 0.078 29.401 29.460 -0.228 0.000 1.127 177 W HN 0.650 nan 8.180 nan 0.000 0.556 178 T N -2.530 111.907 114.554 -0.196 0.000 3.118 178 T HA -0.101 4.249 4.350 -0.000 0.000 0.260 178 T C 0.439 175.162 174.700 0.037 0.000 1.139 178 T CA 0.048 62.086 62.100 -0.104 0.000 1.085 178 T CB -0.611 68.278 68.868 0.036 0.000 0.934 178 T HN -0.071 nan 8.240 nan 0.000 0.518 179 W N 1.194 122.426 121.300 -0.113 0.000 2.218 179 W HA 0.721 5.381 4.660 0.000 0.000 0.326 179 W C 1.548 177.980 176.519 -0.147 0.000 1.276 179 W CA -1.657 55.636 57.345 -0.087 0.000 1.210 179 W CB 0.234 29.676 29.460 -0.030 0.000 1.143 179 W HN 0.196 nan 8.180 nan 0.000 0.563 180 A N 2.761 125.653 122.820 0.121 0.000 1.883 180 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 180 A C 2.108 179.695 177.584 0.005 0.000 1.186 180 A CA 1.984 54.032 52.037 0.017 0.000 0.624 180 A CB -0.573 18.440 19.000 0.021 0.000 0.822 180 A HN 0.704 nan 8.150 nan 0.000 0.444 181 K N -0.973 119.463 120.400 0.060 0.000 2.032 181 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 181 K C 2.097 178.664 176.600 -0.055 0.000 1.048 181 K CA 2.020 58.324 56.287 0.027 0.000 0.927 181 K CB -0.409 32.130 32.500 0.065 0.000 0.712 181 K HN 0.491 nan 8.250 nan 0.000 0.441 182 T N 1.397 115.982 114.554 0.052 0.000 2.684 182 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 182 T C 1.821 176.453 174.700 -0.113 0.000 1.036 182 T CA 1.242 63.361 62.100 0.033 0.000 1.148 182 T CB -0.184 68.709 68.868 0.042 0.000 0.863 182 T HN 0.276 nan 8.240 nan 0.000 0.436 183 Q N 0.503 120.134 119.800 -0.281 0.000 2.084 183 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 183 Q C 2.761 178.630 176.000 -0.219 0.000 0.978 183 Q CA 1.733 57.314 55.803 -0.369 0.000 0.844 183 Q CB -1.147 27.368 28.738 -0.371 0.000 0.898 183 Q HN 0.628 nan 8.270 nan 0.000 0.426 184 G N 0.315 108.977 108.800 -0.231 0.000 2.446 184 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 184 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 184 G C 1.633 176.112 174.900 -0.701 0.000 1.168 184 G CA 1.138 46.061 45.100 -0.294 0.000 0.771 184 G HN 0.287 nan 8.290 nan 0.000 0.551 185 V N -0.229 119.146 119.914 -0.898 0.000 2.358 185 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 185 V C 2.264 178.202 176.094 -0.261 0.000 1.047 185 V CA 1.740 63.525 62.300 -0.858 0.000 1.035 185 V CB -0.695 30.816 31.823 -0.520 0.000 0.658 185 V HN 0.483 nan 8.190 nan 0.000 0.452 186 Y N 1.862 122.091 120.300 -0.118 0.000 2.128 186 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 186 Y C 2.555 178.328 175.900 -0.211 0.000 1.154 186 Y CA 2.125 60.124 58.100 -0.167 0.000 1.149 186 Y CB -0.338 37.870 38.460 -0.420 0.000 0.976 186 Y HN 0.290 nan 8.280 nan 0.000 0.505 187 N N 0.116 118.736 118.700 -0.133 0.000 2.166 187 N HA -0.223 4.517 4.740 -0.000 0.000 0.186 187 N C 2.025 177.372 175.510 -0.272 0.000 1.019 187 N CA 1.666 54.614 53.050 -0.171 0.000 0.856 187 N CB -0.456 37.996 38.487 -0.058 0.000 0.993 187 N HN 0.536 nan 8.380 nan 0.000 0.426 188 M N 0.838 120.233 119.600 -0.342 0.000 2.067 188 M HA -0.132 4.348 4.480 -0.000 0.000 0.260 188 M C 1.838 177.669 176.300 -0.783 0.000 1.069 188 M CA 1.410 56.385 55.300 -0.542 0.000 1.117 188 M CB -0.082 32.180 32.600 -0.563 0.000 1.334 188 M HN -0.155 nan 8.290 nan 0.000 0.407 189 V N 1.025 120.557 119.914 -0.636 0.000 2.287 189 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 189 V C 2.621 178.521 176.094 -0.323 0.000 1.053 189 V CA 2.451 64.474 62.300 -0.462 0.000 1.027 189 V CB -1.182 30.507 31.823 -0.223 0.000 0.646 189 V HN 0.581 nan 8.190 nan 0.000 0.447 190 R N 0.299 120.544 120.500 -0.424 0.000 2.096 190 R HA -0.273 4.067 4.340 -0.000 0.000 0.240 190 R C 2.128 178.327 176.300 -0.168 0.000 1.139 190 R CA 2.566 58.454 56.100 -0.354 0.000 0.952 190 R CB -0.613 29.393 30.300 -0.489 0.000 0.854 190 R HN 0.649 nan 8.270 nan 0.000 0.436 191 D N -0.435 119.876 120.400 -0.149 0.000 2.117 191 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 191 D C 1.759 178.139 176.300 0.133 0.000 0.987 191 D CA 1.260 55.252 54.000 -0.013 0.000 0.829 191 D CB -0.141 40.657 40.800 -0.004 0.000 0.961 191 D HN 0.182 nan 8.370 nan 0.000 0.460 192 F N 1.043 120.909 119.950 -0.140 0.000 2.126 192 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 192 F C 2.297 178.024 175.800 -0.122 0.000 1.096 192 F CA 0.956 58.867 58.000 -0.148 0.000 1.255 192 F CB -0.670 38.193 39.000 -0.228 0.000 0.997 192 F HN 0.013 nan 8.300 nan 0.000 0.479 193 K N -0.013 120.433 120.400 0.078 0.000 2.148 193 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 193 K C 1.975 178.577 176.600 0.004 0.000 1.050 193 K CA 0.720 57.015 56.287 0.014 0.000 0.942 193 K CB -0.569 31.919 32.500 -0.021 0.000 0.724 193 K HN 0.343 nan 8.250 nan 0.000 0.446 194 Q N 0.469 120.272 119.800 0.004 0.000 2.083 194 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 194 Q C 1.935 177.938 176.000 0.004 0.000 0.969 194 Q CA 1.198 57.001 55.803 -0.000 0.000 0.838 194 Q CB -0.048 28.688 28.738 -0.003 0.000 0.900 194 Q HN 0.334 nan 8.270 nan 0.000 0.436 195 R N -0.815 119.692 120.500 0.011 0.000 2.297 195 R HA 0.107 4.447 4.340 -0.000 0.000 0.197 195 R C 0.997 177.282 176.300 -0.025 0.000 0.943 195 R CA 0.595 56.693 56.100 -0.004 0.000 1.038 195 R CB 0.369 30.668 30.300 -0.001 0.000 0.957 195 R HN 0.367 nan 8.270 nan 0.000 0.484 196 G N 0.978 109.763 108.800 -0.026 0.000 2.132 196 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.234 196 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.234 196 G C 0.162 175.017 174.900 -0.075 0.000 0.989 196 G CA -0.120 44.958 45.100 -0.036 0.000 0.676 196 G HN 0.118 nan 8.290 nan 0.000 0.522 197 V N 1.477 121.308 119.914 -0.137 0.000 2.585 197 V HA 0.283 4.403 4.120 -0.000 0.000 0.296 197 V C -1.327 174.651 176.094 -0.194 0.000 1.035 197 V CA -0.677 61.457 62.300 -0.276 0.000 1.084 197 V CB 1.041 32.435 31.823 -0.715 0.000 0.953 197 V HN 0.170 nan 8.190 nan 0.000 0.483 198 P HA 0.339 nan 4.420 nan 0.000 0.269 198 P C -0.540 176.735 177.300 -0.043 0.000 1.263 198 P CA 0.449 63.539 63.100 -0.018 0.000 0.813 198 P CB 0.157 31.896 31.700 0.065 0.000 0.868 199 I N 2.552 123.081 120.570 -0.068 0.000 2.627 199 I HA 0.225 4.395 4.170 -0.000 0.000 0.288 199 I C -0.338 175.795 176.117 0.027 0.000 1.202 199 I CA -0.389 60.838 61.300 -0.121 0.000 1.050 199 I CB 2.141 39.923 38.000 -0.363 0.000 1.264 199 I HN 0.115 nan 8.210 nan 0.000 0.429 200 D N 5.822 126.291 120.400 0.114 0.000 2.423 200 D HA 0.184 4.824 4.640 -0.000 0.000 0.212 200 D C -0.041 176.339 176.300 0.133 0.000 1.060 200 D CA 0.517 54.589 54.000 0.120 0.000 0.872 200 D CB 0.714 41.599 40.800 0.141 0.000 1.012 200 D HN 0.571 nan 8.370 nan 0.000 0.503 201 c N -0.800 117.895 118.600 0.158 0.000 3.288 201 c HA 0.757 5.327 4.570 -0.000 0.000 0.318 201 c C -0.629 173.554 174.090 0.156 0.000 1.356 201 c CA -1.021 55.406 56.329 0.163 0.000 1.359 201 c CB 1.611 44.225 42.510 0.174 0.000 1.688 201 c HN -0.111 nan 8.230 nan 0.000 0.467 202 V N 1.374 121.362 119.914 0.123 0.000 2.487 202 V HA 0.769 4.889 4.120 -0.000 0.000 0.298 202 V C 0.639 176.684 176.094 -0.082 0.000 1.028 202 V CA 0.181 62.464 62.300 -0.029 0.000 0.860 202 V CB 1.699 33.402 31.823 -0.200 0.000 0.991 202 V HN 1.338 nan 8.190 nan 0.000 0.427 203 G N 3.515 112.211 108.800 -0.174 0.000 2.322 203 G HA2 0.607 4.566 3.960 -0.000 0.000 0.309 203 G HA3 0.607 4.566 3.960 -0.000 0.000 0.309 203 G C -1.026 173.703 174.900 -0.285 0.000 1.121 203 G CA -0.234 44.806 45.100 -0.099 0.000 0.886 203 G HN 0.439 nan 8.290 nan 0.000 0.447 204 F N 1.639 121.533 119.950 -0.093 0.000 2.313 204 F HA 0.281 4.807 4.527 -0.000 0.000 0.369 204 F C 1.725 177.495 175.800 -0.050 0.000 1.109 204 F CA -0.636 57.309 58.000 -0.092 0.000 1.132 204 F CB 1.709 40.633 39.000 -0.127 0.000 1.291 204 F HN 0.547 nan 8.300 nan 0.000 0.496 205 Q N 1.300 121.117 119.800 0.029 0.000 2.133 205 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 205 Q C 0.695 176.585 176.000 -0.182 0.000 0.991 205 Q CA 1.736 57.456 55.803 -0.137 0.000 0.867 205 Q CB -0.170 28.523 28.738 -0.075 0.000 0.911 205 Q HN 0.754 nan 8.270 nan 0.000 0.417 206 S N 0.288 116.029 115.700 0.068 0.000 3.711 206 S HA -0.118 4.352 4.470 -0.000 0.000 0.374 206 S C -0.783 173.836 174.600 0.031 0.000 0.969 206 S CA 0.084 58.373 58.200 0.148 0.000 1.198 206 S CB -1.416 61.902 63.200 0.197 0.000 0.903 206 S HN 0.392 nan 8.310 nan 0.000 0.493 207 H N 1.104 120.329 119.070 0.258 0.000 2.882 207 H HA 0.406 4.962 4.556 0.000 0.000 0.258 207 H C 0.761 176.194 175.328 0.176 0.000 1.579 207 H CA -0.011 56.187 56.048 0.250 0.000 1.340 207 H CB -0.049 29.917 29.762 0.339 0.000 1.645 207 H HN 0.444 nan 8.280 nan 0.000 0.541 208 L N 2.130 123.467 121.223 0.191 0.000 2.416 208 L HA 0.382 4.722 4.340 -0.000 0.000 0.263 208 L C 0.504 177.390 176.870 0.027 0.000 1.065 208 L CA -0.971 53.936 54.840 0.112 0.000 0.798 208 L CB 1.145 43.237 42.059 0.055 0.000 1.267 208 L HN 0.228 nan 8.230 nan 0.000 0.467 209 I N 1.121 121.696 120.570 0.009 0.000 2.377 209 I HA 0.220 4.389 4.170 -0.000 0.000 0.293 209 I C 0.103 176.209 176.117 -0.019 0.000 0.987 209 I CA -0.650 60.631 61.300 -0.031 0.000 1.185 209 I CB 1.690 39.669 38.000 -0.035 0.000 1.341 209 I HN 0.179 nan 8.210 nan 0.000 0.455 210 V N 5.832 125.734 119.914 -0.020 0.000 2.617 210 V HA 0.180 4.300 4.120 -0.000 0.000 0.304 210 V C 1.432 177.522 176.094 -0.007 0.000 1.040 210 V CA 1.398 63.691 62.300 -0.011 0.000 1.149 210 V CB 0.202 32.031 31.823 0.010 0.000 0.914 210 V HN 1.173 nan 8.190 nan 0.000 0.487 211 G N 3.961 112.756 108.800 -0.009 0.000 2.184 211 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 211 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 211 G C 0.376 175.282 174.900 0.009 0.000 0.975 211 G CA 0.530 45.629 45.100 -0.001 0.000 0.642 211 G HN 0.731 nan 8.290 nan 0.000 0.536 212 Q N -0.206 119.602 119.800 0.014 0.000 2.144 212 Q HA 0.416 4.756 4.340 -0.000 0.000 0.305 212 Q C 0.072 176.116 176.000 0.073 0.000 0.876 212 Q CA -0.335 55.497 55.803 0.047 0.000 1.130 212 Q CB 1.740 30.510 28.738 0.054 0.000 1.267 212 Q HN 0.301 nan 8.270 nan 0.000 0.433 213 V N 2.745 122.677 119.914 0.030 0.000 2.521 213 V HA 0.126 4.246 4.120 -0.000 0.000 0.286 213 V C -1.939 174.202 176.094 0.078 0.000 1.034 213 V CA -1.262 61.052 62.300 0.024 0.000 1.045 213 V CB 0.355 32.119 31.823 -0.098 0.000 0.974 213 V HN 0.254 nan 8.190 nan 0.000 0.480 214 P HA 0.015 nan 4.420 nan 0.000 0.260 214 P C 1.083 178.435 177.300 0.087 0.000 1.172 214 P CA 0.544 63.708 63.100 0.107 0.000 0.760 214 P CB 0.560 32.284 31.700 0.040 0.000 0.773 215 G N 3.010 111.837 108.800 0.045 0.000 2.432 215 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 215 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 215 G C 0.762 175.677 174.900 0.025 0.000 1.135 215 G CA 0.512 45.630 45.100 0.029 0.000 0.767 215 G HN 0.625 nan 8.290 nan 0.000 0.550 216 D N -0.409 119.995 120.400 0.006 0.000 2.395 216 D HA 0.049 4.689 4.640 -0.000 0.000 0.226 216 D C 1.503 177.793 176.300 -0.017 0.000 1.146 216 D CA -0.814 53.173 54.000 -0.022 0.000 0.830 216 D CB -0.403 40.365 40.800 -0.054 0.000 0.958 216 D HN 0.217 nan 8.370 nan 0.000 0.501 217 F N 2.176 122.056 119.950 -0.115 0.000 2.087 217 F HA -0.254 4.272 4.527 -0.000 0.000 0.299 217 F C 2.409 178.121 175.800 -0.147 0.000 1.100 217 F CA 1.776 59.695 58.000 -0.135 0.000 1.226 217 F CB -0.005 38.922 39.000 -0.121 0.000 0.983 217 F HN -0.065 nan 8.300 nan 0.000 0.479 218 R N -0.072 120.505 120.500 0.129 0.000 2.073 218 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 218 R C 2.137 178.386 176.300 -0.084 0.000 1.134 218 R CA 1.939 58.056 56.100 0.027 0.000 0.952 218 R CB -0.419 29.895 30.300 0.025 0.000 0.850 218 R HN 0.294 nan 8.270 nan 0.000 0.433 219 Q N 0.449 120.192 119.800 -0.095 0.000 2.096 219 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 219 Q C 1.735 177.621 176.000 -0.190 0.000 0.982 219 Q CA 2.035 57.748 55.803 -0.150 0.000 0.850 219 Q CB -0.597 28.042 28.738 -0.166 0.000 0.901 219 Q HN 0.375 nan 8.270 nan 0.000 0.422 220 N N -0.472 118.126 118.700 -0.169 0.000 2.120 220 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 220 N C 1.229 176.735 175.510 -0.007 0.000 1.024 220 N CA 0.757 53.767 53.050 -0.066 0.000 0.852 220 N CB -0.193 38.249 38.487 -0.075 0.000 1.003 220 N HN 0.113 nan 8.380 nan 0.000 0.424 221 L N 0.727 121.789 121.223 -0.268 0.000 2.012 221 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 221 L C 2.424 179.268 176.870 -0.043 0.000 1.073 221 L CA 1.590 56.229 54.840 -0.334 0.000 0.748 221 L CB -1.157 40.660 42.059 -0.403 0.000 0.891 221 L HN 0.305 nan 8.230 nan 0.000 0.431 222 Q N -0.379 119.381 119.800 -0.067 0.000 2.084 222 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 222 Q C 2.331 178.320 176.000 -0.019 0.000 0.978 222 Q CA 1.649 57.429 55.803 -0.038 0.000 0.844 222 Q CB -0.077 28.613 28.738 -0.080 0.000 0.898 222 Q HN 0.366 nan 8.270 nan 0.000 0.426 223 R N -1.115 119.333 120.500 -0.087 0.000 2.091 223 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 223 R C 2.169 178.511 176.300 0.069 0.000 1.136 223 R CA 1.492 57.494 56.100 -0.163 0.000 0.959 223 R CB -0.453 29.501 30.300 -0.576 0.000 0.856 223 R HN 0.289 nan 8.270 nan 0.000 0.437 224 F N 0.742 120.824 119.950 0.219 0.000 2.146 224 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 224 F C 2.648 178.549 175.800 0.168 0.000 1.096 224 F CA 1.257 59.441 58.000 0.307 0.000 1.275 224 F CB -0.492 38.774 39.000 0.443 0.000 1.008 224 F HN 0.046 nan 8.300 nan 0.000 0.480 225 A N -0.250 122.746 122.820 0.294 0.000 1.933 225 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 225 A C 1.804 179.453 177.584 0.107 0.000 1.175 225 A CA 1.998 54.138 52.037 0.172 0.000 0.628 225 A CB -0.790 18.275 19.000 0.108 0.000 0.814 225 A HN 0.265 nan 8.150 nan 0.000 0.444 226 D N -0.146 120.301 120.400 0.079 0.000 2.351 226 D HA -0.056 4.584 4.640 -0.000 0.000 0.216 226 D C 1.551 177.873 176.300 0.035 0.000 0.968 226 D CA 0.586 54.609 54.000 0.037 0.000 0.899 226 D CB -0.200 40.602 40.800 0.004 0.000 0.907 226 D HN 0.491 nan 8.370 nan 0.000 0.514 227 L N -0.743 120.509 121.223 0.049 0.000 2.478 227 L HA 0.093 4.433 4.340 -0.000 0.000 0.223 227 L C 1.425 178.304 176.870 0.015 0.000 1.140 227 L CA 0.577 55.416 54.840 -0.002 0.000 0.842 227 L CB -0.077 41.948 42.059 -0.056 0.000 0.953 227 L HN 0.130 nan 8.230 nan 0.000 0.452 228 G N 0.569 109.396 108.800 0.045 0.000 2.131 228 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.201 228 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.201 228 G C -0.015 174.922 174.900 0.062 0.000 1.000 228 G CA -0.019 45.108 45.100 0.044 0.000 0.680 228 G HN 0.210 nan 8.290 nan 0.000 0.514 229 V N -3.102 116.867 119.914 0.092 0.000 2.914 229 V HA 0.870 4.990 4.120 -0.000 0.000 0.314 229 V C -0.243 175.933 176.094 0.137 0.000 1.084 229 V CA -1.545 60.822 62.300 0.112 0.000 0.963 229 V CB 2.116 34.014 31.823 0.125 0.000 1.025 229 V HN 0.027 nan 8.190 nan 0.000 0.432 230 D N 1.604 122.086 120.400 0.137 0.000 2.329 230 D HA 0.562 5.202 4.640 -0.000 0.000 0.246 230 D C -0.023 176.388 176.300 0.185 0.000 1.111 230 D CA 0.147 54.234 54.000 0.145 0.000 0.941 230 D CB 1.981 42.864 40.800 0.139 0.000 1.169 230 D HN 0.935 nan 8.370 nan 0.000 0.441 231 V N -1.265 118.762 119.914 0.187 0.000 2.769 231 V HA 0.803 4.923 4.120 -0.000 0.000 0.312 231 V C -0.543 175.672 176.094 0.202 0.000 1.061 231 V CA -0.918 61.537 62.300 0.257 0.000 0.931 231 V CB 2.086 34.049 31.823 0.232 0.000 1.010 231 V HN 0.477 nan 8.190 nan 0.000 0.433 232 R N 3.463 124.124 120.500 0.267 0.000 2.626 232 R HA 0.651 4.991 4.340 -0.000 0.000 0.274 232 R C -1.544 174.901 176.300 0.242 0.000 1.031 232 R CA -0.849 55.375 56.100 0.207 0.000 0.898 232 R CB 2.306 32.741 30.300 0.225 0.000 1.222 232 R HN 0.631 nan 8.270 nan 0.000 0.455 233 I N 2.866 123.545 120.570 0.182 0.000 2.301 233 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 233 I C 1.438 177.641 176.117 0.144 0.000 1.046 233 I CA 0.018 61.431 61.300 0.188 0.000 1.282 233 I CB 0.881 38.985 38.000 0.174 0.000 1.409 233 I HN 0.864 nan 8.210 nan 0.000 0.484 234 T N 1.458 116.061 114.554 0.083 0.000 3.015 234 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 234 T C 0.701 175.386 174.700 -0.026 0.000 1.057 234 T CA 0.185 62.301 62.100 0.027 0.000 1.066 234 T CB 0.193 69.028 68.868 -0.055 0.000 0.959 234 T HN 0.582 nan 8.240 nan 0.000 0.488 235 E N 0.941 121.058 120.200 -0.138 0.000 3.843 235 E HA 0.309 4.659 4.350 -0.000 0.000 0.189 235 E C -1.090 175.427 176.600 -0.139 0.000 1.013 235 E CA -0.481 55.801 56.400 -0.197 0.000 1.395 235 E CB 0.702 29.889 29.700 -0.856 0.000 1.136 235 E HN 0.211 nan 8.360 nan 0.000 0.444 236 L N 3.014 124.263 121.223 0.043 0.000 2.499 236 L HA 0.112 4.452 4.340 -0.000 0.000 0.273 236 L C -0.694 176.330 176.870 0.258 0.000 1.195 236 L CA 0.759 55.655 54.840 0.093 0.000 0.882 236 L CB 0.108 42.240 42.059 0.122 0.000 1.133 236 L HN 0.176 nan 8.230 nan 0.000 0.483 237 D N 4.014 124.554 120.400 0.234 0.000 2.836 237 D HA 0.338 4.978 4.640 -0.000 0.000 0.215 237 D C -1.014 175.391 176.300 0.174 0.000 1.255 237 D CA -0.328 53.880 54.000 0.346 0.000 0.822 237 D CB 0.260 41.393 40.800 0.555 0.000 1.656 237 D HN 0.394 nan 8.370 nan 0.000 0.511 238 I N 1.397 122.018 120.570 0.086 0.000 2.464 238 I HA 0.321 4.491 4.170 -0.000 0.000 0.277 238 I C 0.398 176.563 176.117 0.081 0.000 1.040 238 I CA -0.944 60.351 61.300 -0.009 0.000 1.153 238 I CB 0.861 38.724 38.000 -0.229 0.000 1.274 238 I HN 0.284 nan 8.210 nan 0.000 0.469 239 R N 6.609 127.148 120.500 0.065 0.000 2.582 239 R HA 0.736 5.076 4.340 -0.000 0.000 0.271 239 R C -0.531 175.772 176.300 0.004 0.000 1.078 239 R CA -0.507 55.618 56.100 0.042 0.000 1.127 239 R CB 1.086 31.378 30.300 -0.014 0.000 1.038 239 R HN 0.680 nan 8.270 nan 0.000 0.500 240 M N -0.079 119.532 119.600 0.018 0.000 2.667 240 M HA 0.508 4.988 4.480 -0.000 0.000 0.286 240 M C -1.004 175.298 176.300 0.004 0.000 1.270 240 M CA -1.275 54.029 55.300 0.008 0.000 0.826 240 M CB 2.318 34.935 32.600 0.028 0.000 1.743 240 M HN 0.410 nan 8.290 nan 0.000 0.460 241 R N 1.454 121.953 120.500 -0.001 0.000 2.340 241 R HA 0.395 4.735 4.340 -0.000 0.000 0.300 241 R C -0.184 176.123 176.300 0.012 0.000 1.069 241 R CA -0.137 55.964 56.100 0.002 0.000 0.984 241 R CB 0.971 31.270 30.300 -0.002 0.000 1.003 241 R HN 0.825 nan 8.270 nan 0.000 0.459 242 T N 0.980 115.543 114.554 0.016 0.000 2.899 242 T HA 0.418 4.768 4.350 -0.000 0.000 0.284 242 T C -1.914 172.795 174.700 0.014 0.000 1.004 242 T CA -1.675 60.436 62.100 0.018 0.000 1.043 242 T CB 0.997 69.878 68.868 0.022 0.000 1.013 242 T HN 0.269 nan 8.240 nan 0.000 0.518 243 P HA 0.301 nan 4.420 nan 0.000 0.272 243 P C -0.248 177.062 177.300 0.016 0.000 1.230 243 P CA -0.633 62.476 63.100 0.014 0.000 0.788 243 P CB 0.379 32.086 31.700 0.011 0.000 0.949 244 S N 0.299 116.010 115.700 0.019 0.000 2.632 244 S HA 0.615 5.085 4.470 -0.000 0.000 0.271 244 S C -0.429 174.181 174.600 0.016 0.000 1.260 244 S CA -0.553 57.660 58.200 0.022 0.000 1.010 244 S CB 0.700 63.917 63.200 0.028 0.000 0.965 244 S HN 0.565 nan 8.310 nan 0.000 0.534 245 D N -0.800 119.609 120.400 0.015 0.000 2.596 245 D HA 0.619 5.259 4.640 -0.000 0.000 0.262 245 D C 0.817 177.123 176.300 0.011 0.000 1.210 245 D CA -0.451 53.556 54.000 0.011 0.000 0.873 245 D CB 0.732 41.538 40.800 0.009 0.000 1.408 245 D HN 0.536 nan 8.370 nan 0.000 0.441 246 A N 0.026 122.850 122.820 0.007 0.000 1.903 246 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 246 A C 1.920 179.507 177.584 0.006 0.000 1.191 246 A CA 2.685 54.725 52.037 0.005 0.000 0.638 246 A CB -1.505 17.497 19.000 0.002 0.000 0.823 246 A HN 0.651 nan 8.150 nan 0.000 0.451 247 T N -0.286 114.272 114.554 0.007 0.000 2.737 247 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 247 T C 1.933 176.640 174.700 0.011 0.000 1.038 247 T CA 1.685 63.789 62.100 0.007 0.000 1.144 247 T CB -0.196 68.676 68.868 0.006 0.000 0.866 247 T HN 0.582 nan 8.240 nan 0.000 0.434 248 K N 0.773 121.182 120.400 0.014 0.000 2.057 248 K HA 0.058 4.378 4.320 -0.000 0.000 0.207 248 K C 2.265 178.883 176.600 0.029 0.000 1.049 248 K CA 0.949 57.248 56.287 0.020 0.000 0.931 248 K CB -0.358 32.154 32.500 0.022 0.000 0.714 248 K HN 0.266 nan 8.250 nan 0.000 0.440 249 L N 0.540 121.779 121.223 0.026 0.000 2.046 249 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 249 L C 2.606 179.492 176.870 0.027 0.000 1.077 249 L CA 1.159 56.017 54.840 0.030 0.000 0.747 249 L CB -0.592 41.476 42.059 0.015 0.000 0.896 249 L HN 0.226 nan 8.230 nan 0.000 0.432 250 A N -0.355 122.474 122.820 0.016 0.000 1.877 250 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 250 A C 2.365 179.959 177.584 0.017 0.000 1.186 250 A CA 2.323 54.366 52.037 0.010 0.000 0.620 250 A CB -0.964 18.039 19.000 0.004 0.000 0.822 250 A HN 0.380 nan 8.150 nan 0.000 0.443 251 T N -0.343 114.222 114.554 0.018 0.000 2.684 251 T HA -0.227 4.122 4.350 -0.000 0.000 0.267 251 T C 2.072 176.791 174.700 0.031 0.000 1.036 251 T CA 1.687 63.797 62.100 0.016 0.000 1.148 251 T CB -0.307 68.568 68.868 0.013 0.000 0.863 251 T HN 0.646 nan 8.240 nan 0.000 0.436 252 Q N 0.622 120.457 119.800 0.058 0.000 2.096 252 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 252 Q C 2.497 178.608 176.000 0.185 0.000 0.982 252 Q CA 1.557 57.431 55.803 0.119 0.000 0.850 252 Q CB -0.327 28.507 28.738 0.160 0.000 0.901 252 Q HN 0.562 nan 8.270 nan 0.000 0.422 253 A N 0.782 123.669 122.820 0.111 0.000 1.883 253 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 253 A C 2.295 179.918 177.584 0.065 0.000 1.186 253 A CA 1.897 53.981 52.037 0.078 0.000 0.624 253 A CB -1.092 17.916 19.000 0.012 0.000 0.822 253 A HN 0.577 nan 8.150 nan 0.000 0.444 254 A N -0.247 122.590 122.820 0.028 0.000 1.933 254 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 254 A C 1.781 179.351 177.584 -0.023 0.000 1.175 254 A CA 1.824 53.858 52.037 -0.005 0.000 0.628 254 A CB -0.541 18.451 19.000 -0.013 0.000 0.814 254 A HN 0.497 nan 8.150 nan 0.000 0.444 255 D N -1.363 119.025 120.400 -0.020 0.000 2.117 255 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 255 D C 1.666 177.877 176.300 -0.148 0.000 0.982 255 D CA 1.307 55.247 54.000 -0.099 0.000 0.828 255 D CB -0.403 40.327 40.800 -0.117 0.000 0.967 255 D HN 0.568 nan 8.370 nan 0.000 0.464 256 Y N 1.339 121.583 120.300 -0.093 0.000 2.181 256 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 256 Y C 2.495 178.298 175.900 -0.162 0.000 1.146 256 Y CA 1.345 59.384 58.100 -0.102 0.000 1.164 256 Y CB -0.066 38.357 38.460 -0.063 0.000 0.982 256 Y HN -0.119 nan 8.280 nan 0.000 0.515 257 K N 0.478 120.876 120.400 -0.003 0.000 2.057 257 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 257 K C 1.930 178.444 176.600 -0.144 0.000 1.050 257 K CA 1.468 57.696 56.287 -0.098 0.000 0.935 257 K CB -0.044 32.407 32.500 -0.082 0.000 0.715 257 K HN 0.206 nan 8.250 nan 0.000 0.439 258 K N 0.214 120.526 120.400 -0.147 0.000 2.009 258 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 258 K C 2.047 178.485 176.600 -0.271 0.000 1.049 258 K CA 1.685 57.864 56.287 -0.180 0.000 0.929 258 K CB -0.185 32.207 32.500 -0.181 0.000 0.714 258 K HN -0.021 nan 8.250 nan 0.000 0.440 259 V N 1.141 120.822 119.914 -0.388 0.000 2.287 259 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 259 V C 2.309 178.227 176.094 -0.293 0.000 1.053 259 V CA 1.642 63.603 62.300 -0.566 0.000 1.027 259 V CB -0.372 31.102 31.823 -0.581 0.000 0.646 259 V HN 0.104 nan 8.190 nan 0.000 0.447 260 V N -0.545 119.228 119.914 -0.234 0.000 2.358 260 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 260 V C 2.411 178.354 176.094 -0.251 0.000 1.047 260 V CA 2.184 64.316 62.300 -0.281 0.000 1.035 260 V CB -0.685 30.829 31.823 -0.516 0.000 0.658 260 V HN 0.550 nan 8.190 nan 0.000 0.452 261 Q N 0.378 120.050 119.800 -0.213 0.000 2.170 261 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 261 Q C 2.133 178.085 176.000 -0.079 0.000 0.976 261 Q CA 1.925 57.644 55.803 -0.140 0.000 0.858 261 Q CB -0.459 28.208 28.738 -0.118 0.000 0.907 261 Q HN 0.627 nan 8.270 nan 0.000 0.433 262 A N -0.592 122.189 122.820 -0.065 0.000 1.933 262 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 262 A C 2.377 179.979 177.584 0.030 0.000 1.175 262 A CA 1.402 53.452 52.037 0.022 0.000 0.628 262 A CB -1.287 17.809 19.000 0.160 0.000 0.814 262 A HN 0.649 nan 8.150 nan 0.000 0.444 263 c N -0.846 117.764 118.600 0.018 0.000 2.457 263 c HA -0.017 4.553 4.570 -0.000 0.000 0.278 263 c C 2.647 176.751 174.090 0.022 0.000 1.309 263 c CA 1.357 57.702 56.329 0.027 0.000 1.735 263 c CB -1.045 41.487 42.510 0.038 0.000 1.992 263 c HN 0.573 nan 8.230 nan 0.000 0.493 264 M N 0.172 119.775 119.600 0.005 0.000 2.374 264 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 264 M C 1.845 178.154 176.300 0.014 0.000 1.067 264 M CA 1.433 56.748 55.300 0.025 0.000 1.103 264 M CB -1.157 31.447 32.600 0.006 0.000 1.402 264 M HN 0.566 nan 8.290 nan 0.000 0.444 265 Q N -0.348 119.453 119.800 0.001 0.000 2.280 265 Q HA 0.150 4.490 4.340 -0.000 0.000 0.201 265 Q C -0.364 175.634 176.000 -0.004 0.000 0.890 265 Q CA -0.033 55.767 55.803 -0.004 0.000 0.947 265 Q CB 0.810 29.540 28.738 -0.013 0.000 1.081 265 Q HN 0.170 nan 8.270 nan 0.000 0.502 266 V N 1.620 121.535 119.914 0.003 0.000 2.325 266 V HA 0.026 4.146 4.120 -0.000 0.000 0.280 266 V C 1.270 177.374 176.094 0.017 0.000 1.016 266 V CA -0.134 62.167 62.300 0.002 0.000 0.818 266 V CB 1.042 32.860 31.823 -0.008 0.000 1.019 266 V HN 0.370 nan 8.190 nan 0.000 0.434 267 T N 1.937 116.502 114.554 0.018 0.000 2.685 267 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 267 T C 1.456 176.178 174.700 0.036 0.000 1.034 267 T CA 1.410 63.525 62.100 0.026 0.000 1.149 267 T CB -0.219 68.662 68.868 0.022 0.000 0.860 267 T HN 0.578 nan 8.240 nan 0.000 0.449 268 R N 0.131 120.656 120.500 0.042 0.000 2.319 268 R HA 0.239 4.579 4.340 -0.000 0.000 0.204 268 R C 0.628 176.967 176.300 0.066 0.000 0.954 268 R CA -0.076 56.059 56.100 0.059 0.000 1.066 268 R CB -0.689 29.654 30.300 0.071 0.000 0.991 268 R HN 0.420 nan 8.270 nan 0.000 0.486 269 c N 2.460 121.088 118.600 0.046 0.000 2.289 269 c HA 0.143 4.713 4.570 -0.000 0.000 0.340 269 c C 1.630 175.733 174.090 0.021 0.000 1.152 269 c CA -0.755 55.598 56.329 0.040 0.000 1.650 269 c CB 0.181 42.705 42.510 0.022 0.000 2.203 269 c HN 0.440 nan 8.230 nan 0.000 0.511 270 Q N 3.401 123.217 119.800 0.027 0.000 2.167 270 Q HA 0.188 4.528 4.340 -0.000 0.000 0.202 270 Q C 1.090 176.896 176.000 -0.323 0.000 0.970 270 Q CA 1.331 57.129 55.803 -0.009 0.000 0.855 270 Q CB -0.063 28.764 28.738 0.147 0.000 0.911 270 Q HN 1.038 nan 8.270 nan 0.000 0.438 271 G N -1.625 106.888 108.800 -0.478 0.000 2.322 271 G HA2 0.399 4.359 3.960 -0.000 0.000 0.295 271 G HA3 0.399 4.359 3.960 -0.000 0.000 0.295 271 G C -1.838 172.835 174.900 -0.378 0.000 1.369 271 G CA -0.658 43.871 45.100 -0.951 0.000 0.821 271 G HN -0.092 nan 8.290 nan 0.000 0.536 272 V N 0.116 119.960 119.914 -0.118 0.000 2.588 272 V HA 0.756 4.876 4.120 -0.000 0.000 0.304 272 V C -0.237 175.924 176.094 0.113 0.000 1.042 272 V CA -0.551 61.835 62.300 0.143 0.000 0.877 272 V CB 1.952 33.977 31.823 0.338 0.000 0.996 272 V HN 0.847 nan 8.190 nan 0.000 0.425 273 T N 4.023 118.644 114.554 0.111 0.000 2.812 273 T HA 0.529 4.879 4.350 -0.000 0.000 0.282 273 T C -0.359 174.362 174.700 0.035 0.000 0.990 273 T CA -0.402 61.720 62.100 0.036 0.000 0.960 273 T CB 1.492 70.443 68.868 0.137 0.000 0.948 273 T HN 0.637 nan 8.240 nan 0.000 0.438 274 V N 1.441 121.327 119.914 -0.047 0.000 2.509 274 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 274 V C 0.247 176.465 176.094 0.207 0.000 1.047 274 V CA -1.145 61.258 62.300 0.172 0.000 0.952 274 V CB 1.240 33.240 31.823 0.295 0.000 0.988 274 V HN 0.989 nan 8.190 nan 0.000 0.469 275 W N 5.454 126.793 121.300 0.065 0.000 1.438 275 W HA 0.533 5.193 4.660 -0.000 0.000 0.455 275 W C 0.597 177.164 176.519 0.080 0.000 0.656 275 W CA 0.821 58.178 57.345 0.020 0.000 2.049 275 W CB -0.018 29.475 29.460 0.054 0.000 1.683 275 W HN 1.242 nan 8.180 nan 0.000 0.228 276 G N 1.334 110.049 108.800 -0.142 0.000 2.355 276 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.619 276 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.619 276 G C -0.331 174.603 174.900 0.057 0.000 1.337 276 G CA -0.596 44.459 45.100 -0.074 0.000 0.993 276 G HN 0.220 nan 8.290 nan 0.000 0.599 277 I N -0.645 120.004 120.570 0.131 0.000 3.345 277 I HA 0.250 4.420 4.170 -0.000 0.000 0.258 277 I C 1.486 177.841 176.117 0.396 0.000 1.134 277 I CA 0.893 62.320 61.300 0.212 0.000 1.457 277 I CB 0.662 38.602 38.000 -0.100 0.000 1.425 277 I HN 0.599 nan 8.210 nan 0.000 0.461 278 T N -0.302 114.424 114.554 0.287 0.000 2.895 278 T HA 0.143 4.493 4.350 -0.000 0.000 0.283 278 T C 0.462 175.222 174.700 0.100 0.000 1.014 278 T CA -0.548 61.640 62.100 0.146 0.000 1.037 278 T CB 1.261 69.953 68.868 -0.292 0.000 1.006 278 T HN 0.057 nan 8.240 nan 0.000 0.468 279 D N 2.209 122.653 120.400 0.073 0.000 2.263 279 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 279 D C 1.881 178.180 176.300 -0.002 0.000 0.971 279 D CA 1.067 55.115 54.000 0.079 0.000 0.867 279 D CB 0.141 40.982 40.800 0.067 0.000 0.929 279 D HN 0.788 nan 8.370 nan 0.000 0.492 280 K N -0.286 120.005 120.400 -0.182 0.000 2.365 280 K HA -0.126 4.194 4.320 -0.000 0.000 0.199 280 K C 0.662 177.140 176.600 -0.203 0.000 1.045 280 K CA 0.918 57.039 56.287 -0.277 0.000 0.962 280 K CB -0.065 32.135 32.500 -0.501 0.000 0.759 280 K HN 0.091 nan 8.250 nan 0.000 0.469 281 Y N 1.022 121.355 120.300 0.055 0.000 2.636 281 Y HA 0.311 4.861 4.550 -0.000 0.000 0.260 281 Y C 0.281 176.257 175.900 0.126 0.000 1.177 281 Y CA -1.186 56.952 58.100 0.064 0.000 1.209 281 Y CB 0.313 38.792 38.460 0.033 0.000 1.166 281 Y HN 0.000 nan 8.280 nan 0.000 0.531 282 S N 1.126 117.002 115.700 0.293 0.000 2.564 282 S HA 0.010 4.480 4.470 -0.000 0.000 0.278 282 S C 1.176 176.029 174.600 0.421 0.000 1.333 282 S CA -0.516 57.912 58.200 0.380 0.000 1.048 282 S CB 0.400 63.812 63.200 0.353 0.000 0.900 282 S HN 0.573 nan 8.310 nan 0.000 0.505 283 W N 5.541 126.963 121.300 0.204 0.000 2.519 283 W HA 0.035 4.695 4.660 0.000 0.000 0.266 283 W C 1.116 177.705 176.519 0.116 0.000 1.253 283 W CA 0.663 58.102 57.345 0.157 0.000 1.274 283 W CB -1.993 27.591 29.460 0.206 0.000 1.114 283 W HN 0.463 nan 8.180 nan 0.000 0.596 284 V N 3.474 123.275 119.914 -0.190 0.000 2.233 284 V HA -0.311 3.809 4.120 -0.000 0.000 0.252 284 V C -0.061 175.959 176.094 -0.122 0.000 1.063 284 V CA 3.147 65.273 62.300 -0.291 0.000 1.032 284 V CB -2.242 29.608 31.823 0.044 0.000 0.645 284 V HN -0.007 nan 8.190 nan 0.000 0.446 285 P HA -0.114 nan 4.420 nan 0.000 0.221 285 P C 1.011 178.288 177.300 -0.038 0.000 1.145 285 P CA 1.472 64.576 63.100 0.006 0.000 0.795 285 P CB -0.074 31.649 31.700 0.038 0.000 0.775 286 D N -1.153 119.205 120.400 -0.071 0.000 2.183 286 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 286 D C 1.879 178.056 176.300 -0.205 0.000 0.962 286 D CA 1.263 55.212 54.000 -0.086 0.000 0.849 286 D CB -0.336 40.455 40.800 -0.015 0.000 0.978 286 D HN 0.168 nan 8.370 nan 0.000 0.488 287 V N -2.470 117.194 119.914 -0.417 0.000 3.174 287 V HA 0.174 4.294 4.120 -0.000 0.000 0.254 287 V C 0.236 175.813 176.094 -0.862 0.000 1.120 287 V CA 0.386 62.258 62.300 -0.714 0.000 1.114 287 V CB -0.425 30.700 31.823 -1.163 0.000 0.756 287 V HN -0.150 nan 8.190 nan 0.000 0.467 288 F N 3.431 123.220 119.950 -0.268 0.000 2.686 288 F HA 0.570 5.097 4.527 -0.000 0.000 0.365 288 F C -2.553 173.175 175.800 -0.120 0.000 1.196 288 F CA -3.419 54.468 58.000 -0.188 0.000 1.198 288 F CB 1.096 39.969 39.000 -0.211 0.000 1.454 288 F HN 0.004 nan 8.300 nan 0.000 0.539 289 P HA 0.124 nan 4.420 nan 0.000 0.264 289 P C 0.893 178.218 177.300 0.041 0.000 1.183 289 P CA 1.140 64.256 63.100 0.026 0.000 0.763 289 P CB 1.201 32.903 31.700 0.004 0.000 0.807 290 G N 2.089 110.907 108.800 0.029 0.000 2.199 290 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.254 290 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.254 290 G C -0.102 174.813 174.900 0.024 0.000 0.982 290 G CA -0.042 45.072 45.100 0.024 0.000 0.632 290 G HN 0.605 nan 8.290 nan 0.000 0.529 291 E N -0.603 119.620 120.200 0.038 0.000 2.263 291 E HA 0.685 5.035 4.350 -0.000 0.000 0.264 291 E C 0.507 177.135 176.600 0.046 0.000 0.923 291 E CA -0.340 56.077 56.400 0.028 0.000 0.802 291 E CB 2.120 31.820 29.700 0.000 0.000 1.228 291 E HN 0.868 nan 8.360 nan 0.000 0.417 292 G N -0.212 108.619 108.800 0.051 0.000 2.392 292 G HA2 0.360 4.320 3.960 -0.000 0.000 0.260 292 G HA3 0.360 4.320 3.960 -0.000 0.000 0.260 292 G C -0.871 174.085 174.900 0.093 0.000 1.226 292 G CA 0.050 45.197 45.100 0.078 0.000 0.913 292 G HN 0.919 nan 8.290 nan 0.000 0.483 293 A N -1.494 121.387 122.820 0.100 0.000 2.665 293 A HA 0.148 4.468 4.320 -0.000 0.000 0.301 293 A C 1.711 179.389 177.584 0.157 0.000 1.509 293 A CA 2.083 54.186 52.037 0.109 0.000 0.789 293 A CB -1.551 17.495 19.000 0.076 0.000 1.024 293 A HN 2.539 nan 8.150 nan 0.000 0.460 294 A N -1.161 121.783 122.820 0.206 0.000 2.178 294 A HA 0.518 4.838 4.320 -0.000 0.000 0.211 294 A C 1.029 178.847 177.584 0.389 0.000 1.157 294 A CA 1.048 53.250 52.037 0.275 0.000 0.780 294 A CB 0.018 19.192 19.000 0.291 0.000 0.828 294 A HN 0.778 nan 8.150 nan 0.000 0.476 295 L N -2.048 119.381 121.223 0.343 0.000 2.492 295 L HA 0.291 4.631 4.340 -0.000 0.000 0.263 295 L C 1.490 178.483 176.870 0.204 0.000 1.062 295 L CA -0.722 54.342 54.840 0.373 0.000 0.817 295 L CB 0.924 43.211 42.059 0.381 0.000 1.441 295 L HN -0.049 nan 8.230 nan 0.000 0.493 296 V N -1.361 118.644 119.914 0.152 0.000 2.951 296 V HA -0.035 4.085 4.120 -0.000 0.000 0.255 296 V C 0.044 176.000 176.094 -0.230 0.000 1.088 296 V CA 0.770 62.958 62.300 -0.186 0.000 1.109 296 V CB -0.294 31.323 31.823 -0.344 0.000 0.724 296 V HN 0.429 nan 8.190 nan 0.000 0.471 297 W N 1.239 122.616 121.300 0.128 0.000 2.632 297 W HA 0.397 5.056 4.660 -0.000 0.000 0.328 297 W C -0.403 176.132 176.519 0.026 0.000 1.044 297 W CA -1.103 56.300 57.345 0.097 0.000 1.225 297 W CB 1.614 31.170 29.460 0.160 0.000 1.396 297 W HN 0.268 nan 8.180 nan 0.000 0.499 298 D N 0.283 120.786 120.400 0.171 0.000 2.447 298 D HA 0.274 4.914 4.640 -0.000 0.000 0.265 298 D C 1.190 177.455 176.300 -0.058 0.000 1.250 298 D CA -0.381 53.653 54.000 0.057 0.000 1.046 298 D CB 0.166 40.986 40.800 0.033 0.000 1.095 298 D HN 0.268 nan 8.370 nan 0.000 0.555 299 A N -0.642 122.117 122.820 -0.103 0.000 2.178 299 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 299 A C 1.632 179.058 177.584 -0.263 0.000 1.157 299 A CA 1.580 53.483 52.037 -0.223 0.000 0.689 299 A CB -0.875 18.042 19.000 -0.139 0.000 0.787 299 A HN 0.566 nan 8.150 nan 0.000 0.465 300 S N -3.534 112.093 115.700 -0.122 0.000 2.575 300 S HA 0.319 4.789 4.470 -0.000 0.000 0.237 300 S C 0.179 174.862 174.600 0.138 0.000 0.975 300 S CA -0.097 58.099 58.200 -0.006 0.000 0.960 300 S CB -0.605 62.621 63.200 0.043 0.000 0.822 300 S HN 0.567 nan 8.310 nan 0.000 0.472 301 Y N -0.078 120.291 120.300 0.116 0.000 4.177 301 Y HA -0.258 4.292 4.550 0.000 0.000 0.227 301 Y C 0.725 176.805 175.900 0.299 0.000 1.154 301 Y CA 0.164 58.373 58.100 0.181 0.000 1.887 301 Y CB -2.297 36.208 38.460 0.075 0.000 1.594 301 Y HN 0.688 nan 8.280 nan 0.000 0.668 302 A N 0.502 123.516 122.820 0.323 0.000 2.301 302 A HA 0.578 4.898 4.320 -0.000 0.000 0.312 302 A C 0.378 178.054 177.584 0.153 0.000 1.182 302 A CA -0.903 51.268 52.037 0.223 0.000 0.826 302 A CB 0.552 19.613 19.000 0.101 0.000 1.134 302 A HN 0.267 nan 8.150 nan 0.000 0.501 303 K N 1.883 122.276 120.400 -0.012 0.000 2.448 303 K HA 0.129 4.448 4.320 -0.000 0.000 0.278 303 K C -0.138 176.317 176.600 -0.243 0.000 1.009 303 K CA 0.514 56.570 56.287 -0.385 0.000 0.995 303 K CB 0.567 32.770 32.500 -0.495 0.000 0.917 303 K HN 0.623 nan 8.250 nan 0.000 0.481 304 K N 2.810 123.042 120.400 -0.279 0.000 2.132 304 K HA 0.157 4.477 4.320 -0.000 0.000 0.241 304 K C -1.792 174.724 176.600 -0.140 0.000 1.000 304 K CA -1.977 54.218 56.287 -0.152 0.000 0.911 304 K CB 0.714 33.145 32.500 -0.116 0.000 1.093 304 K HN 0.171 nan 8.250 nan 0.000 0.460 305 P HA -0.221 nan 4.420 nan 0.000 0.218 305 P C 0.617 177.866 177.300 -0.084 0.000 1.146 305 P CA 1.206 64.268 63.100 -0.064 0.000 0.813 305 P CB 0.121 31.800 31.700 -0.034 0.000 0.778 306 A N -1.499 121.238 122.820 -0.138 0.000 1.972 306 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 306 A C 2.172 179.575 177.584 -0.302 0.000 1.169 306 A CA 1.363 53.255 52.037 -0.241 0.000 0.635 306 A CB -1.796 16.900 19.000 -0.507 0.000 0.810 306 A HN 0.168 nan 8.150 nan 0.000 0.446 307 Y N 0.679 120.726 120.300 -0.423 0.000 2.081 307 Y HA -0.207 4.343 4.550 -0.000 0.000 0.280 307 Y C 2.664 178.391 175.900 -0.288 0.000 1.163 307 Y CA 1.724 59.560 58.100 -0.440 0.000 1.135 307 Y CB -0.619 37.531 38.460 -0.517 0.000 0.970 307 Y HN 0.299 nan 8.280 nan 0.000 0.498 308 A N 0.094 122.955 122.820 0.069 0.000 2.015 308 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 308 A C 2.354 179.887 177.584 -0.085 0.000 1.163 308 A CA 1.609 53.662 52.037 0.026 0.000 0.646 308 A CB -1.369 17.651 19.000 0.033 0.000 0.806 308 A HN 0.617 nan 8.150 nan 0.000 0.448 309 A N -0.563 122.191 122.820 -0.111 0.000 1.930 309 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 309 A C 2.180 179.660 177.584 -0.174 0.000 1.175 309 A CA 1.622 53.594 52.037 -0.110 0.000 0.627 309 A CB -0.732 18.227 19.000 -0.068 0.000 0.815 309 A HN 0.347 nan 8.150 nan 0.000 0.443 310 V N -0.717 119.038 119.914 -0.265 0.000 2.358 310 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 310 V C 2.542 178.444 176.094 -0.320 0.000 1.047 310 V CA 2.228 64.306 62.300 -0.370 0.000 1.035 310 V CB -0.652 30.865 31.823 -0.509 0.000 0.658 310 V HN 0.597 nan 8.190 nan 0.000 0.452 311 M N 0.180 119.602 119.600 -0.297 0.000 2.108 311 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 311 M C 2.073 178.335 176.300 -0.064 0.000 1.066 311 M CA 1.942 57.145 55.300 -0.163 0.000 1.107 311 M CB -0.564 31.933 32.600 -0.171 0.000 1.356 311 M HN 0.397 nan 8.290 nan 0.000 0.406 312 E N -0.968 119.176 120.200 -0.092 0.000 2.072 312 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 312 E C 1.845 178.399 176.600 -0.077 0.000 0.985 312 E CA 1.153 57.514 56.400 -0.064 0.000 0.801 312 E CB -0.142 29.520 29.700 -0.065 0.000 0.750 312 E HN 0.582 nan 8.360 nan 0.000 0.452 313 A N 0.163 122.891 122.820 -0.153 0.000 1.933 313 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 313 A C 1.788 179.266 177.584 -0.177 0.000 1.175 313 A CA 1.073 52.984 52.037 -0.209 0.000 0.628 313 A CB -0.647 18.150 19.000 -0.339 0.000 0.814 313 A HN 0.303 nan 8.150 nan 0.000 0.444 314 F N -0.197 119.693 119.950 -0.100 0.000 2.367 314 F HA 0.116 4.643 4.527 0.000 0.000 0.298 314 F C 2.376 178.136 175.800 -0.065 0.000 1.094 314 F CA 0.834 58.783 58.000 -0.086 0.000 1.409 314 F CB -0.444 38.483 39.000 -0.123 0.000 1.064 314 F HN 0.278 nan 8.300 nan 0.000 0.528 315 G N -1.424 107.445 108.800 0.115 0.000 3.126 315 G HA2 0.323 4.283 3.960 -0.000 0.000 0.224 315 G HA3 0.323 4.283 3.960 -0.000 0.000 0.224 315 G C -0.090 174.824 174.900 0.023 0.000 1.142 315 G CA 0.632 45.765 45.100 0.055 0.000 0.759 315 G HN 0.312 nan 8.290 nan 0.000 0.550 316 S N -1.253 114.453 115.700 0.011 0.000 2.611 316 S HA 0.687 5.157 4.470 -0.000 0.000 0.268 316 S C -1.249 173.341 174.600 -0.017 0.000 1.156 316 S CA -1.045 57.153 58.200 -0.004 0.000 0.817 316 S CB 2.465 65.658 63.200 -0.011 0.000 1.122 316 S HN 0.289 nan 8.310 nan 0.000 0.466 317 R N 0.523 121.013 120.500 -0.017 0.000 2.686 317 R HA 0.713 5.053 4.340 -0.000 0.000 0.286 317 R C -0.480 175.805 176.300 -0.025 0.000 0.969 317 R CA -0.423 55.663 56.100 -0.024 0.000 0.898 317 R CB 2.014 32.303 30.300 -0.017 0.000 1.183 317 R HN 0.802 nan 8.270 nan 0.000 0.456 318 S N 0.000 115.682 115.700 -0.030 0.000 2.498 318 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 318 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 318 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 318 S HN 0.000 nan 8.310 nan 0.000 0.517