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 2xed_1_C DATA FIRST_RESID 2 DATA SEQUENCE GIRRIGLVVP SSNVTVETEM PALLSRHPGA EFSFHSTRMR MHTVSPEGLA DATA SEQUENCE AMNAQRERCV LEIADAAPEV ILYACLVAVM VGGPGEHHRV ESAVAEQLAT DATA SEQUENCE GGSQALVRSS AGALVEGLRA LDAQRVALVT PYMRPLAEKV VAYLEAEGFT DATA SEQUENCE ISDWRALEVA DNTEVGCIPG EQVMAAARSL DLSEVDALVI SCAVQMPSLP DATA SEQUENCE LVETAEREFG IPVLSAATAG AYSILRSLDL PVAVPGAGRL LRQDS 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 4.000 3.960 0.067 0.000 0.244 2 G C 0.000 174.822 174.900 -0.130 0.000 0.946 2 G CA 0.000 45.048 45.100 -0.087 0.000 0.502 3 I N 1.293 121.794 120.570 -0.114 0.000 2.683 3 I HA 0.199 4.409 4.170 0.067 0.000 0.286 3 I C 0.200 176.220 176.117 -0.161 0.000 1.175 3 I CA -0.229 60.984 61.300 -0.146 0.000 1.429 3 I CB 0.482 38.438 38.000 -0.073 0.000 1.371 3 I HN 0.251 nan 8.210 nan 0.000 0.569 4 R N 7.313 127.652 120.500 -0.268 0.000 2.210 4 R HA 0.294 4.674 4.340 0.067 0.000 0.338 4 R C 0.024 176.283 176.300 -0.070 0.000 1.062 4 R CA -0.458 55.529 56.100 -0.189 0.000 0.902 4 R CB 0.179 30.305 30.300 -0.290 0.000 1.050 4 R HN 0.449 nan 8.270 nan 0.000 0.461 5 R N 3.405 123.889 120.500 -0.028 0.000 2.298 5 R HA 0.336 4.716 4.340 0.067 0.000 0.310 5 R C 0.080 176.394 176.300 0.023 0.000 1.068 5 R CA -0.438 55.680 56.100 0.030 0.000 0.957 5 R CB 0.786 31.092 30.300 0.010 0.000 1.003 5 R HN 0.314 nan 8.270 nan 0.000 0.454 6 I N 2.182 122.743 120.570 -0.016 0.000 2.389 6 I HA 0.247 4.457 4.170 0.067 0.000 0.288 6 I C 0.817 177.000 176.117 0.110 0.000 0.999 6 I CA -0.672 60.613 61.300 -0.025 0.000 1.129 6 I CB 1.316 39.182 38.000 -0.223 0.000 1.288 6 I HN 0.629 nan 8.210 nan 0.000 0.444 7 G N 6.993 115.863 108.800 0.117 0.000 2.353 7 G HA2 0.629 4.629 3.960 0.067 0.000 0.284 7 G HA3 0.629 4.629 3.960 0.067 0.000 0.284 7 G C -0.643 174.336 174.900 0.133 0.000 1.172 7 G CA -0.420 44.763 45.100 0.138 0.000 0.854 7 G HN 0.493 nan 8.290 nan 0.000 0.485 8 L N 2.412 123.715 121.223 0.134 0.000 2.349 8 L HA 0.394 4.774 4.340 0.067 0.000 0.278 8 L C -0.504 176.395 176.870 0.049 0.000 0.996 8 L CA -1.043 53.853 54.840 0.094 0.000 0.825 8 L CB 2.334 44.454 42.059 0.100 0.000 1.243 8 L HN 0.167 nan 8.230 nan 0.000 0.412 9 V N 4.410 124.328 119.914 0.006 0.000 2.328 9 V HA 0.470 4.630 4.120 0.067 0.000 0.278 9 V C 0.028 176.027 176.094 -0.159 0.000 1.021 9 V CA -0.590 61.675 62.300 -0.058 0.000 0.838 9 V CB 1.649 33.447 31.823 -0.042 0.000 0.999 9 V HN 0.530 nan 8.190 nan 0.000 0.447 10 V N 3.723 123.570 119.914 -0.113 0.000 2.914 10 V HA 0.768 4.928 4.120 0.067 0.000 0.314 10 V C -2.894 173.142 176.094 -0.098 0.000 1.084 10 V CA -3.077 59.155 62.300 -0.114 0.000 0.963 10 V CB 2.195 33.980 31.823 -0.063 0.000 1.025 10 V HN 0.579 nan 8.190 nan 0.000 0.432 11 P HA 0.193 nan 4.420 nan 0.000 0.268 11 P C 1.047 178.332 177.300 -0.024 0.000 1.205 11 P CA 0.390 63.457 63.100 -0.054 0.000 0.771 11 P CB 0.949 32.623 31.700 -0.044 0.000 0.858 12 S N 1.297 116.995 115.700 -0.003 0.000 2.383 12 S HA -0.185 4.324 4.470 0.067 0.000 0.229 12 S C 1.655 176.264 174.600 0.014 0.000 1.030 12 S CA 1.707 59.913 58.200 0.010 0.000 1.002 12 S CB -1.401 61.815 63.200 0.027 0.000 0.829 12 S HN 0.538 nan 8.310 nan 0.000 0.467 13 S N 1.182 116.898 115.700 0.028 0.000 2.562 13 S HA 0.119 4.629 4.470 0.067 0.000 0.221 13 S C 0.628 175.233 174.600 0.008 0.000 0.975 13 S CA -0.348 57.870 58.200 0.030 0.000 0.918 13 S CB -0.714 62.529 63.200 0.071 0.000 0.772 13 S HN 0.515 nan 8.310 nan 0.000 0.531 14 N N 2.107 120.804 118.700 -0.005 0.000 2.475 14 N HA 0.090 4.870 4.740 0.067 0.000 0.267 14 N C 0.825 176.320 175.510 -0.026 0.000 1.169 14 N CA 0.475 53.513 53.050 -0.019 0.000 0.947 14 N CB 1.662 40.129 38.487 -0.032 0.000 1.061 14 N HN 0.286 nan 8.380 nan 0.000 0.466 15 V N 0.805 120.701 119.914 -0.030 0.000 3.604 15 V HA 0.157 4.317 4.120 0.067 0.000 0.277 15 V C 1.550 177.612 176.094 -0.053 0.000 1.399 15 V CA 0.305 62.582 62.300 -0.038 0.000 1.034 15 V CB 0.043 31.846 31.823 -0.032 0.000 0.824 15 V HN 0.499 nan 8.190 nan 0.000 0.439 16 T N 1.445 115.968 114.554 -0.052 0.000 2.896 16 T HA -0.075 4.315 4.350 0.067 0.000 0.263 16 T C 1.999 176.651 174.700 -0.080 0.000 1.050 16 T CA 1.884 63.947 62.100 -0.062 0.000 1.140 16 T CB 0.348 69.184 68.868 -0.054 0.000 0.877 16 T HN 0.510 nan 8.240 nan 0.000 0.457 17 V N 1.518 121.385 119.914 -0.078 0.000 2.515 17 V HA -0.093 4.067 4.120 0.067 0.000 0.250 17 V C 1.890 177.898 176.094 -0.143 0.000 1.058 17 V CA 1.802 64.045 62.300 -0.095 0.000 1.064 17 V CB -0.524 31.257 31.823 -0.070 0.000 0.675 17 V HN 0.478 nan 8.190 nan 0.000 0.461 18 E N -0.097 120.027 120.200 -0.127 0.000 2.427 18 E HA -0.043 4.347 4.350 0.067 0.000 0.196 18 E C 2.042 178.523 176.600 -0.198 0.000 1.028 18 E CA 1.264 57.566 56.400 -0.163 0.000 0.864 18 E CB 0.055 29.698 29.700 -0.094 0.000 0.813 18 E HN 0.708 nan 8.360 nan 0.000 0.514 19 T N 0.271 114.730 114.554 -0.158 0.000 2.925 19 T HA -0.006 4.384 4.350 0.067 0.000 0.245 19 T C 1.582 176.178 174.700 -0.173 0.000 1.025 19 T CA 0.494 62.507 62.100 -0.145 0.000 1.149 19 T CB 0.020 68.831 68.868 -0.095 0.000 0.866 19 T HN 0.089 nan 8.240 nan 0.000 0.437 20 E N 0.754 120.860 120.200 -0.158 0.000 2.107 20 E HA -0.013 4.377 4.350 0.067 0.000 0.191 20 E C 2.227 178.713 176.600 -0.191 0.000 0.982 20 E CA 0.736 57.052 56.400 -0.141 0.000 0.809 20 E CB -0.044 29.597 29.700 -0.098 0.000 0.756 20 E HN 0.275 nan 8.360 nan 0.000 0.459 21 M N 0.207 119.642 119.600 -0.275 0.000 2.086 21 M HA -0.075 4.445 4.480 0.067 0.000 0.261 21 M C -0.730 175.245 176.300 -0.543 0.000 1.067 21 M CA 1.551 56.638 55.300 -0.354 0.000 1.116 21 M CB -1.994 30.389 32.600 -0.363 0.000 1.348 21 M HN -0.010 nan 8.290 nan 0.000 0.407 22 P HA 0.002 nan 4.420 nan 0.000 0.219 22 P C 1.331 178.515 177.300 -0.193 0.000 1.150 22 P CA 1.731 64.452 63.100 -0.631 0.000 0.814 22 P CB -0.232 31.113 31.700 -0.591 0.000 0.787 23 A N -0.436 122.277 122.820 -0.179 0.000 1.902 23 A HA -0.173 4.187 4.320 0.067 0.000 0.217 23 A C 2.237 179.794 177.584 -0.045 0.000 1.181 23 A CA 1.435 53.423 52.037 -0.082 0.000 0.623 23 A CB -1.666 17.285 19.000 -0.082 0.000 0.818 23 A HN 0.107 nan 8.150 nan 0.000 0.443 24 L N -0.900 120.281 121.223 -0.069 0.000 1.994 24 L HA -0.148 4.232 4.340 0.067 0.000 0.208 24 L C 2.450 179.326 176.870 0.009 0.000 1.071 24 L CA 1.319 56.140 54.840 -0.031 0.000 0.745 24 L CB -0.373 41.656 42.059 -0.049 0.000 0.892 24 L HN 0.365 nan 8.230 nan 0.000 0.431 25 L N -0.769 120.444 121.223 -0.016 0.000 2.395 25 L HA -0.074 4.306 4.340 0.067 0.000 0.218 25 L C 2.580 179.593 176.870 0.239 0.000 1.130 25 L CA 0.740 55.577 54.840 -0.006 0.000 0.826 25 L CB -0.377 41.431 42.059 -0.418 0.000 0.941 25 L HN 0.344 nan 8.230 nan 0.000 0.451 26 S N -0.476 115.344 115.700 0.200 0.000 2.515 26 S HA -0.118 4.392 4.470 0.067 0.000 0.231 26 S C 1.907 176.613 174.600 0.176 0.000 0.987 26 S CA 0.445 58.775 58.200 0.216 0.000 0.936 26 S CB -0.160 63.124 63.200 0.140 0.000 0.766 26 S HN 0.364 nan 8.310 nan 0.000 0.528 27 R N 0.217 120.810 120.500 0.154 0.000 2.246 27 R HA 0.211 4.591 4.340 0.067 0.000 0.199 27 R C 0.695 177.083 176.300 0.147 0.000 0.984 27 R CA 0.146 56.315 56.100 0.116 0.000 1.015 27 R CB -0.191 30.149 30.300 0.066 0.000 0.930 27 R HN 0.500 nan 8.270 nan 0.000 0.475 28 H N 2.626 121.782 119.070 0.145 0.000 3.046 28 H HA 0.002 4.599 4.556 0.068 0.000 0.303 28 H C -1.546 173.853 175.328 0.119 0.000 1.002 28 H CA -1.282 54.863 56.048 0.161 0.000 1.460 28 H CB 1.358 31.299 29.762 0.298 0.000 1.493 28 H HN 0.017 nan 8.280 nan 0.000 0.559 29 P HA 0.017 nan 4.420 nan 0.000 0.227 29 P C 0.891 178.301 177.300 0.183 0.000 1.161 29 P CA 0.975 64.141 63.100 0.110 0.000 0.788 29 P CB 0.465 32.171 31.700 0.009 0.000 0.822 30 G N -1.210 107.822 108.800 0.386 0.000 3.596 30 G HA2 0.546 4.545 3.960 0.067 0.000 0.274 30 G HA3 0.546 4.545 3.960 0.067 0.000 0.274 30 G C 0.039 174.988 174.900 0.081 0.000 1.007 30 G CA 0.327 45.566 45.100 0.232 0.000 0.825 30 G HN 0.507 nan 8.290 nan 0.000 0.508 31 A N -0.061 122.756 122.820 -0.005 0.000 2.574 31 A HA 0.803 5.163 4.320 0.067 0.000 0.297 31 A C -1.537 175.802 177.584 -0.407 0.000 1.062 31 A CA -0.611 51.196 52.037 -0.384 0.000 0.686 31 A CB 2.027 20.559 19.000 -0.780 0.000 1.285 31 A HN 0.059 nan 8.150 nan 0.000 0.403 32 E N 0.001 119.866 120.200 -0.559 0.000 2.212 32 E HA 0.768 5.158 4.350 0.067 0.000 0.268 32 E C -1.609 174.574 176.600 -0.694 0.000 0.902 32 E CA -0.087 56.067 56.400 -0.410 0.000 0.779 32 E CB 1.696 31.295 29.700 -0.168 0.000 1.172 32 E HN 0.444 nan 8.360 nan 0.000 0.409 33 F N 0.532 120.441 119.950 -0.068 0.000 2.576 33 F HA 0.565 5.130 4.527 0.063 0.000 0.313 33 F C 0.044 175.712 175.800 -0.220 0.000 1.078 33 F CA -0.857 57.017 58.000 -0.209 0.000 0.921 33 F CB 2.055 40.877 39.000 -0.296 0.000 1.232 33 F HN 0.352 nan 8.300 nan 0.000 0.459 34 S N 0.875 116.470 115.700 -0.176 0.000 2.568 34 S HA 0.848 5.358 4.470 0.067 0.000 0.293 34 S C -1.381 172.856 174.600 -0.604 0.000 1.089 34 S CA -0.686 57.391 58.200 -0.206 0.000 0.945 34 S CB 1.557 64.749 63.200 -0.014 0.000 1.077 34 S HN 0.368 nan 8.310 nan 0.000 0.485 35 F N 1.033 120.767 119.950 -0.360 0.000 2.520 35 F HA 0.534 5.098 4.527 0.062 0.000 0.322 35 F C 0.379 175.822 175.800 -0.594 0.000 1.103 35 F CA -0.544 57.267 58.000 -0.315 0.000 0.926 35 F CB 1.994 40.911 39.000 -0.139 0.000 1.154 35 F HN 0.597 nan 8.300 nan 0.000 0.453 36 H N 1.253 120.422 119.070 0.165 0.000 2.934 36 H HA 0.430 5.024 4.556 0.063 0.000 0.340 36 H C -1.189 174.190 175.328 0.085 0.000 1.008 36 H CA -0.695 55.410 56.048 0.095 0.000 1.317 36 H CB 2.150 31.942 29.762 0.050 0.000 1.670 36 H HN 0.472 nan 8.280 nan 0.000 0.516 37 S N 1.415 117.206 115.700 0.150 0.000 2.578 37 S HA 0.458 4.968 4.470 0.067 0.000 0.301 37 S C 0.200 174.845 174.600 0.075 0.000 1.091 37 S CA -0.593 57.663 58.200 0.094 0.000 1.032 37 S CB 2.585 65.817 63.200 0.055 0.000 1.064 37 S HN 0.647 nan 8.310 nan 0.000 0.508 38 T N 1.789 116.375 114.554 0.053 0.000 2.876 38 T HA 0.550 4.940 4.350 0.067 0.000 0.289 38 T C -1.136 173.573 174.700 0.015 0.000 1.014 38 T CA -0.813 61.309 62.100 0.038 0.000 0.986 38 T CB 0.642 69.536 68.868 0.044 0.000 1.021 38 T HN 0.538 nan 8.240 nan 0.000 0.458 39 R N 3.521 124.029 120.500 0.013 0.000 2.589 39 R HA 0.658 5.038 4.340 0.067 0.000 0.293 39 R C -0.412 175.888 176.300 0.001 0.000 0.963 39 R CA -0.791 55.309 56.100 -0.000 0.000 0.905 39 R CB 1.893 32.197 30.300 0.006 0.000 1.144 39 R HN 0.646 nan 8.270 nan 0.000 0.459 40 M N 1.017 120.608 119.600 -0.014 0.000 2.253 40 M HA 0.520 5.040 4.480 0.067 0.000 0.314 40 M C -0.405 175.893 176.300 -0.003 0.000 1.019 40 M CA -0.864 54.434 55.300 -0.004 0.000 0.932 40 M CB 2.227 34.819 32.600 -0.012 0.000 1.606 40 M HN 0.180 nan 8.290 nan 0.000 0.430 41 R N 3.768 124.275 120.500 0.011 0.000 2.489 41 R HA 0.561 4.941 4.340 0.067 0.000 0.287 41 R C -0.674 175.631 176.300 0.008 0.000 1.053 41 R CA 0.145 56.259 56.100 0.023 0.000 1.036 41 R CB 0.453 30.775 30.300 0.037 0.000 0.966 41 R HN 0.923 nan 8.270 nan 0.000 0.432 42 M N 0.307 119.919 119.600 0.020 0.000 2.724 42 M HA 0.186 4.706 4.480 0.067 0.000 0.280 42 M C -0.833 175.484 176.300 0.029 0.000 1.090 42 M CA -0.370 54.908 55.300 -0.036 0.000 0.838 42 M CB 1.425 33.985 32.600 -0.067 0.000 1.729 42 M HN 0.662 nan 8.290 nan 0.000 0.530 43 H N -1.707 117.362 119.070 -0.000 0.000 3.787 43 H HA 0.358 4.954 4.556 0.066 0.000 0.262 43 H C -1.003 174.329 175.328 0.007 0.000 1.181 43 H CA -0.027 56.022 56.048 0.002 0.000 1.159 43 H CB 0.378 30.140 29.762 -0.000 0.000 1.563 43 H HN 0.676 nan 8.280 nan 0.000 0.699 44 T N 2.919 117.326 114.554 -0.246 0.000 2.772 44 T HA 0.335 4.725 4.350 0.067 0.000 0.288 44 T C 0.074 174.733 174.700 -0.068 0.000 0.994 44 T CA -0.465 61.569 62.100 -0.109 0.000 0.951 44 T CB 2.567 71.351 68.868 -0.141 0.000 0.933 44 T HN 0.050 nan 8.240 nan 0.000 0.447 45 V N 4.679 124.592 119.914 -0.002 0.000 2.223 45 V HA 0.363 4.523 4.120 0.067 0.000 0.249 45 V C 0.515 176.611 176.094 0.002 0.000 1.233 45 V CA -0.378 61.934 62.300 0.021 0.000 1.131 45 V CB -1.224 30.665 31.823 0.111 0.000 1.298 45 V HN 1.022 nan 8.190 nan 0.000 0.498 46 S N 3.540 119.219 115.700 -0.035 0.000 2.595 46 S HA 0.660 5.170 4.470 0.067 0.000 0.281 46 S C -2.318 172.249 174.600 -0.056 0.000 1.117 46 S CA -1.593 56.583 58.200 -0.040 0.000 0.873 46 S CB 2.477 65.657 63.200 -0.034 0.000 1.108 46 S HN 0.201 nan 8.310 nan 0.000 0.477 47 P HA -0.174 nan 4.420 nan 0.000 0.215 47 P C 1.558 178.833 177.300 -0.041 0.000 1.157 47 P CA 1.284 64.353 63.100 -0.052 0.000 0.874 47 P CB 0.074 31.749 31.700 -0.042 0.000 0.790 48 E N -0.247 119.931 120.200 -0.037 0.000 2.038 48 E HA -0.158 4.232 4.350 0.067 0.000 0.195 48 E C 2.206 178.778 176.600 -0.046 0.000 1.000 48 E CA 1.999 58.378 56.400 -0.034 0.000 0.803 48 E CB -1.124 28.558 29.700 -0.030 0.000 0.750 48 E HN 0.154 nan 8.360 nan 0.000 0.448 49 G N 1.033 109.796 108.800 -0.062 0.000 2.418 49 G HA2 -0.216 3.784 3.960 0.067 0.000 0.217 49 G HA3 -0.216 3.784 3.960 0.067 0.000 0.217 49 G C 1.585 176.445 174.900 -0.065 0.000 1.158 49 G CA 0.749 45.798 45.100 -0.085 0.000 0.771 49 G HN 0.213 nan 8.290 nan 0.000 0.545 50 L N 1.266 122.456 121.223 -0.054 0.000 2.056 50 L HA 0.175 4.555 4.340 0.067 0.000 0.207 50 L C 3.244 180.101 176.870 -0.023 0.000 1.078 50 L CA 1.422 56.236 54.840 -0.043 0.000 0.749 50 L CB -1.182 40.842 42.059 -0.058 0.000 0.901 50 L HN 0.290 nan 8.230 nan 0.000 0.433 51 A N -0.503 122.303 122.820 -0.024 0.000 1.877 51 A HA -0.169 4.191 4.320 0.067 0.000 0.216 51 A C 2.500 180.081 177.584 -0.005 0.000 1.186 51 A CA 1.877 53.907 52.037 -0.011 0.000 0.620 51 A CB -0.920 18.071 19.000 -0.014 0.000 0.822 51 A HN 0.380 nan 8.150 nan 0.000 0.443 52 A N -0.842 121.969 122.820 -0.015 0.000 1.940 52 A HA -0.176 4.184 4.320 0.067 0.000 0.219 52 A C 2.280 179.862 177.584 -0.003 0.000 1.176 52 A CA 1.984 54.014 52.037 -0.012 0.000 0.631 52 A CB -0.510 18.474 19.000 -0.025 0.000 0.814 52 A HN 0.623 nan 8.150 nan 0.000 0.446 53 M N -0.611 118.984 119.600 -0.008 0.000 2.123 53 M HA -0.135 4.385 4.480 0.067 0.000 0.263 53 M C 1.678 177.997 176.300 0.033 0.000 1.069 53 M CA 1.662 56.963 55.300 0.001 0.000 1.133 53 M CB -0.317 32.273 32.600 -0.018 0.000 1.356 53 M HN 0.389 nan 8.290 nan 0.000 0.415 54 N N 1.195 119.925 118.700 0.050 0.000 2.104 54 N HA -0.115 4.665 4.740 0.067 0.000 0.190 54 N C 1.626 177.183 175.510 0.079 0.000 1.024 54 N CA 1.690 54.800 53.050 0.099 0.000 0.853 54 N CB -0.571 37.962 38.487 0.077 0.000 1.008 54 N HN 0.459 nan 8.380 nan 0.000 0.424 55 A N 0.964 123.810 122.820 0.044 0.000 2.194 55 A HA -0.152 4.208 4.320 0.067 0.000 0.220 55 A C 1.802 179.410 177.584 0.041 0.000 1.162 55 A CA 1.131 53.188 52.037 0.034 0.000 0.674 55 A CB -0.245 18.767 19.000 0.020 0.000 0.789 55 A HN 0.311 nan 8.150 nan 0.000 0.470 56 Q N -1.066 118.766 119.800 0.052 0.000 2.360 56 Q HA 0.036 4.416 4.340 0.067 0.000 0.202 56 Q C 1.868 177.914 176.000 0.075 0.000 0.915 56 Q CA -0.007 55.827 55.803 0.051 0.000 0.943 56 Q CB -0.010 28.752 28.738 0.040 0.000 1.064 56 Q HN 0.751 nan 8.270 nan 0.000 0.511 57 R N 1.747 122.312 120.500 0.107 0.000 2.094 57 R HA -0.189 4.191 4.340 0.067 0.000 0.239 57 R C 1.443 177.800 176.300 0.096 0.000 1.137 57 R CA 1.685 57.876 56.100 0.152 0.000 0.943 57 R CB 0.147 30.533 30.300 0.143 0.000 0.850 57 R HN 0.328 nan 8.270 nan 0.000 0.433 58 E N -0.246 119.989 120.200 0.058 0.000 2.110 58 E HA -0.223 4.167 4.350 0.067 0.000 0.193 58 E C 2.216 178.841 176.600 0.040 0.000 0.988 58 E CA 0.847 57.271 56.400 0.040 0.000 0.804 58 E CB -0.233 29.482 29.700 0.025 0.000 0.745 58 E HN 0.312 nan 8.360 nan 0.000 0.458 59 R N 0.858 121.383 120.500 0.041 0.000 2.070 59 R HA -0.159 4.221 4.340 0.067 0.000 0.233 59 R C 2.291 178.617 176.300 0.042 0.000 1.137 59 R CA 1.768 57.889 56.100 0.036 0.000 0.945 59 R CB -0.483 29.837 30.300 0.032 0.000 0.845 59 R HN 0.243 nan 8.270 nan 0.000 0.430 60 C N 0.091 119.424 119.300 0.056 0.000 2.425 60 C HA -0.050 4.450 4.460 0.067 0.000 0.277 60 C C 2.723 177.752 174.990 0.065 0.000 1.280 60 C CA 0.512 59.566 59.018 0.060 0.000 1.744 60 C CB -0.666 27.117 27.740 0.072 0.000 1.989 60 C HN 0.379 nan 8.230 nan 0.000 0.491 61 V N 0.960 120.917 119.914 0.072 0.000 2.343 61 V HA -0.216 3.944 4.120 0.067 0.000 0.247 61 V C 2.338 178.457 176.094 0.043 0.000 1.051 61 V CA 1.789 64.127 62.300 0.064 0.000 1.036 61 V CB -0.584 31.274 31.823 0.058 0.000 0.654 61 V HN 0.561 nan 8.190 nan 0.000 0.451 62 L N -0.457 120.787 121.223 0.035 0.000 2.056 62 L HA -0.182 4.198 4.340 0.067 0.000 0.207 62 L C 2.568 179.451 176.870 0.022 0.000 1.078 62 L CA 1.649 56.503 54.840 0.024 0.000 0.749 62 L CB -0.662 41.409 42.059 0.021 0.000 0.901 62 L HN 0.402 nan 8.230 nan 0.000 0.433 63 E N 0.155 120.371 120.200 0.028 0.000 2.031 63 E HA -0.266 4.124 4.350 0.067 0.000 0.193 63 E C 2.091 178.707 176.600 0.026 0.000 0.994 63 E CA 1.349 57.765 56.400 0.026 0.000 0.800 63 E CB -0.116 29.603 29.700 0.032 0.000 0.752 63 E HN 0.278 nan 8.360 nan 0.000 0.447 64 I N 0.837 121.428 120.570 0.036 0.000 2.439 64 I HA -0.114 4.096 4.170 0.067 0.000 0.251 64 I C 2.045 178.172 176.117 0.016 0.000 1.139 64 I CA 0.777 62.099 61.300 0.037 0.000 1.438 64 I CB -0.237 37.799 38.000 0.060 0.000 1.085 64 I HN 0.013 nan 8.210 nan 0.000 0.427 65 A N -0.063 122.768 122.820 0.017 0.000 1.940 65 A HA -0.236 4.124 4.320 0.067 0.000 0.219 65 A C 1.942 179.520 177.584 -0.010 0.000 1.176 65 A CA 2.022 54.063 52.037 0.006 0.000 0.631 65 A CB -0.869 18.138 19.000 0.011 0.000 0.814 65 A HN 0.442 nan 8.150 nan 0.000 0.446 66 D N 0.116 120.511 120.400 -0.009 0.000 2.228 66 D HA -0.090 4.590 4.640 0.067 0.000 0.203 66 D C 1.782 178.056 176.300 -0.043 0.000 0.988 66 D CA 1.429 55.418 54.000 -0.019 0.000 0.864 66 D CB -0.252 40.542 40.800 -0.010 0.000 0.928 66 D HN 0.488 nan 8.370 nan 0.000 0.469 67 A N -0.009 122.773 122.820 -0.063 0.000 2.251 67 A HA 0.460 4.820 4.320 0.067 0.000 0.209 67 A C 1.211 178.709 177.584 -0.144 0.000 1.187 67 A CA 0.774 52.730 52.037 -0.136 0.000 0.823 67 A CB -0.208 18.671 19.000 -0.201 0.000 0.846 67 A HN 0.192 nan 8.150 nan 0.000 0.486 68 A N 0.080 122.852 122.820 -0.080 0.000 2.511 68 A HA -0.091 4.269 4.320 0.067 0.000 0.297 68 A C -1.557 175.987 177.584 -0.066 0.000 1.476 68 A CA 0.577 52.577 52.037 -0.061 0.000 0.757 68 A CB -1.938 17.028 19.000 -0.055 0.000 1.072 68 A HN 0.506 nan 8.150 nan 0.000 0.413 69 P HA 0.241 nan 4.420 nan 0.000 0.274 69 P C 0.831 178.126 177.300 -0.008 0.000 1.246 69 P CA -0.198 62.886 63.100 -0.027 0.000 0.795 69 P CB 0.578 32.285 31.700 0.013 0.000 1.006 70 E N -0.502 119.699 120.200 0.000 0.000 2.076 70 E HA 0.037 4.427 4.350 0.067 0.000 0.190 70 E C 0.144 176.756 176.600 0.020 0.000 0.979 70 E CA 0.951 57.353 56.400 0.005 0.000 0.807 70 E CB 0.090 29.791 29.700 0.001 0.000 0.761 70 E HN 0.258 nan 8.360 nan 0.000 0.454 71 V N 1.132 121.065 119.914 0.032 0.000 2.823 71 V HA 0.416 4.576 4.120 0.067 0.000 0.312 71 V C -0.437 175.692 176.094 0.058 0.000 1.072 71 V CA -0.833 61.494 62.300 0.045 0.000 0.937 71 V CB 2.203 34.056 31.823 0.050 0.000 1.013 71 V HN 0.018 nan 8.190 nan 0.000 0.430 72 I N 3.679 124.291 120.570 0.069 0.000 2.406 72 I HA 0.443 4.653 4.170 0.067 0.000 0.290 72 I C -0.874 175.307 176.117 0.107 0.000 0.999 72 I CA -0.601 60.752 61.300 0.089 0.000 1.124 72 I CB 1.835 39.889 38.000 0.091 0.000 1.289 72 I HN 0.467 nan 8.210 nan 0.000 0.441 73 L N 7.846 129.136 121.223 0.111 0.000 2.265 73 L HA 0.342 4.722 4.340 0.067 0.000 0.289 73 L C -1.007 175.941 176.870 0.131 0.000 1.033 73 L CA -0.248 54.662 54.840 0.116 0.000 0.814 73 L CB 0.567 42.681 42.059 0.091 0.000 1.203 73 L HN 0.420 nan 8.230 nan 0.000 0.423 74 Y N 4.893 125.214 120.300 0.035 0.000 2.585 74 Y HA 0.403 4.966 4.550 0.022 0.000 0.354 74 Y C 1.018 176.926 175.900 0.014 0.000 1.024 74 Y CA 0.341 58.456 58.100 0.025 0.000 1.321 74 Y CB 1.149 39.623 38.460 0.024 0.000 1.151 74 Y HN 0.817 nan 8.280 nan 0.000 0.525 75 A N 4.017 126.687 122.820 -0.249 0.000 2.021 75 A HA -0.033 4.327 4.320 0.067 0.000 0.216 75 A C 0.887 178.397 177.584 -0.123 0.000 1.163 75 A CA 0.335 52.295 52.037 -0.129 0.000 0.676 75 A CB -0.452 18.489 19.000 -0.098 0.000 0.818 75 A HN 0.669 nan 8.150 nan 0.000 0.453 76 C N 1.557 120.732 119.300 -0.208 0.000 2.464 76 C HA 0.397 4.897 4.460 0.067 0.000 0.370 76 C C 1.936 176.906 174.990 -0.034 0.000 1.267 76 C CA -0.780 58.178 59.018 -0.101 0.000 1.781 76 C CB -0.929 26.749 27.740 -0.104 0.000 2.431 76 C HN 0.603 nan 8.230 nan 0.000 0.556 77 L N 5.770 126.983 121.223 -0.016 0.000 1.961 77 L HA -0.048 4.332 4.340 0.067 0.000 0.210 77 L C 2.393 179.201 176.870 -0.103 0.000 1.072 77 L CA 2.249 57.068 54.840 -0.035 0.000 0.749 77 L CB -1.110 40.959 42.059 0.015 0.000 0.889 77 L HN 0.679 nan 8.230 nan 0.000 0.432 78 V N 0.449 120.295 119.914 -0.114 0.000 2.759 78 V HA -0.186 3.974 4.120 0.067 0.000 0.256 78 V C 2.761 178.738 176.094 -0.196 0.000 1.080 78 V CA 1.439 63.572 62.300 -0.278 0.000 1.101 78 V CB -0.373 31.102 31.823 -0.579 0.000 0.698 78 V HN 0.578 nan 8.190 nan 0.000 0.477 79 A N -0.689 122.071 122.820 -0.099 0.000 1.940 79 A HA -0.141 4.219 4.320 0.067 0.000 0.219 79 A C 2.271 179.843 177.584 -0.019 0.000 1.176 79 A CA 2.336 54.352 52.037 -0.034 0.000 0.631 79 A CB -0.467 18.551 19.000 0.030 0.000 0.814 79 A HN 0.453 nan 8.150 nan 0.000 0.446 80 V N -0.595 119.291 119.914 -0.046 0.000 2.575 80 V HA -0.119 4.041 4.120 0.067 0.000 0.242 80 V C 2.463 178.395 176.094 -0.272 0.000 1.045 80 V CA 1.437 63.681 62.300 -0.093 0.000 1.065 80 V CB -0.513 31.277 31.823 -0.054 0.000 0.717 80 V HN 0.508 nan 8.190 nan 0.000 0.467 81 M N -0.432 118.898 119.600 -0.451 0.000 2.446 81 M HA -0.107 4.413 4.480 0.067 0.000 0.263 81 M C 2.239 178.380 176.300 -0.264 0.000 1.066 81 M CA 1.218 56.085 55.300 -0.722 0.000 1.087 81 M CB -0.479 31.761 32.600 -0.599 0.000 1.406 81 M HN 0.327 nan 8.290 nan 0.000 0.459 82 V N 0.381 120.186 119.914 -0.180 0.000 2.759 82 V HA -0.085 4.075 4.120 0.067 0.000 0.256 82 V C 2.000 178.085 176.094 -0.016 0.000 1.080 82 V CA 1.831 64.073 62.300 -0.095 0.000 1.101 82 V CB -0.593 31.164 31.823 -0.109 0.000 0.698 82 V HN 0.545 nan 8.190 nan 0.000 0.477 83 G N -0.764 108.040 108.800 0.007 0.000 3.026 83 G HA2 0.432 4.432 3.960 0.067 0.000 0.208 83 G HA3 0.432 4.432 3.960 0.067 0.000 0.208 83 G C 0.782 175.751 174.900 0.114 0.000 1.169 83 G CA 0.594 45.726 45.100 0.053 0.000 0.788 83 G HN 1.258 nan 8.290 nan 0.000 0.533 84 G N -0.295 108.618 108.800 0.187 0.000 2.730 84 G HA2 -0.050 3.950 3.960 0.067 0.000 0.686 84 G HA3 -0.050 3.950 3.960 0.067 0.000 0.686 84 G C -2.852 172.124 174.900 0.127 0.000 1.343 84 G CA -0.820 44.361 45.100 0.135 0.000 0.826 84 G HN 0.177 nan 8.290 nan 0.000 0.582 85 P HA 0.340 nan 4.420 nan 0.000 0.260 85 P C 1.081 178.340 177.300 -0.068 0.000 1.185 85 P CA 2.166 65.177 63.100 -0.149 0.000 0.763 85 P CB 0.434 32.070 31.700 -0.107 0.000 0.776 86 G N 3.178 111.906 108.800 -0.120 0.000 2.153 86 G HA2 -0.328 3.672 3.960 0.067 0.000 0.252 86 G HA3 -0.328 3.672 3.960 0.067 0.000 0.252 86 G C 1.076 175.995 174.900 0.031 0.000 0.994 86 G CA 0.554 45.651 45.100 -0.005 0.000 0.698 86 G HN 0.522 nan 8.290 nan 0.000 0.521 87 E N 0.772 121.104 120.200 0.219 0.000 2.130 87 E HA -0.211 4.179 4.350 0.067 0.000 0.196 87 E C 2.250 178.886 176.600 0.061 0.000 0.998 87 E CA 2.119 58.609 56.400 0.149 0.000 0.806 87 E CB -0.360 29.455 29.700 0.191 0.000 0.738 87 E HN 0.848 nan 8.360 nan 0.000 0.459 88 H N -1.057 118.070 119.070 0.094 0.000 2.387 88 H HA -0.154 4.438 4.556 0.061 0.000 0.299 88 H C 1.564 176.858 175.328 -0.057 0.000 1.099 88 H CA 1.727 57.754 56.048 -0.034 0.000 1.315 88 H CB -0.650 29.082 29.762 -0.050 0.000 1.380 88 H HN 0.356 nan 8.280 nan 0.000 0.513 89 H N 1.335 120.097 119.070 -0.513 0.000 2.353 89 H HA -0.008 4.586 4.556 0.064 0.000 0.300 89 H C 2.519 177.772 175.328 -0.125 0.000 1.090 89 H CA 1.236 57.117 56.048 -0.278 0.000 1.327 89 H CB -0.046 29.541 29.762 -0.292 0.000 1.383 89 H HN 0.406 nan 8.280 nan 0.000 0.508 90 R N 0.065 120.572 120.500 0.012 0.000 2.075 90 R HA -0.061 4.319 4.340 0.067 0.000 0.232 90 R C 2.538 178.812 176.300 -0.043 0.000 1.126 90 R CA 1.021 57.116 56.100 -0.009 0.000 0.963 90 R CB -0.126 30.169 30.300 -0.007 0.000 0.858 90 R HN 0.056 nan 8.270 nan 0.000 0.435 91 V N 1.157 121.026 119.914 -0.074 0.000 2.358 91 V HA -0.219 3.941 4.120 0.067 0.000 0.246 91 V C 1.954 177.955 176.094 -0.154 0.000 1.047 91 V CA 1.786 63.987 62.300 -0.166 0.000 1.035 91 V CB -0.403 31.255 31.823 -0.276 0.000 0.658 91 V HN 0.341 nan 8.190 nan 0.000 0.452 92 E N 0.682 120.838 120.200 -0.074 0.000 2.077 92 E HA -0.194 4.196 4.350 0.067 0.000 0.193 92 E C 2.377 178.973 176.600 -0.007 0.000 0.989 92 E CA 1.700 58.088 56.400 -0.019 0.000 0.800 92 E CB -0.232 29.503 29.700 0.060 0.000 0.746 92 E HN 0.737 nan 8.360 nan 0.000 0.452 93 S N 0.560 116.260 115.700 0.001 0.000 2.428 93 S HA -0.001 4.509 4.470 0.067 0.000 0.230 93 S C 2.164 176.754 174.600 -0.017 0.000 1.014 93 S CA 0.711 58.910 58.200 -0.000 0.000 0.957 93 S CB 0.040 63.242 63.200 0.003 0.000 0.784 93 S HN 0.258 nan 8.310 nan 0.000 0.499 94 A N 1.472 124.270 122.820 -0.036 0.000 1.930 94 A HA 0.125 4.485 4.320 0.067 0.000 0.217 94 A C 2.364 179.925 177.584 -0.039 0.000 1.175 94 A CA 1.493 53.505 52.037 -0.041 0.000 0.627 94 A CB -0.986 17.980 19.000 -0.058 0.000 0.815 94 A HN 0.452 nan 8.150 nan 0.000 0.443 95 V N -0.124 119.759 119.914 -0.053 0.000 2.307 95 V HA -0.214 3.946 4.120 0.067 0.000 0.245 95 V C 3.065 179.157 176.094 -0.003 0.000 1.045 95 V CA 1.811 64.094 62.300 -0.027 0.000 1.024 95 V CB -1.278 30.526 31.823 -0.031 0.000 0.651 95 V HN 0.595 nan 8.190 nan 0.000 0.449 96 A N -0.215 122.605 122.820 -0.000 0.000 1.908 96 A HA -0.321 4.039 4.320 0.067 0.000 0.218 96 A C 2.284 179.870 177.584 0.004 0.000 1.181 96 A CA 2.283 54.325 52.037 0.008 0.000 0.627 96 A CB -0.558 18.450 19.000 0.013 0.000 0.818 96 A HN 0.658 nan 8.150 nan 0.000 0.445 97 E N -0.745 119.454 120.200 -0.001 0.000 2.072 97 E HA -0.258 4.131 4.350 0.067 0.000 0.191 97 E C 2.215 178.815 176.600 -0.000 0.000 0.985 97 E CA 1.274 57.673 56.400 -0.002 0.000 0.801 97 E CB -0.187 29.510 29.700 -0.006 0.000 0.750 97 E HN 0.766 nan 8.360 nan 0.000 0.452 98 Q N 0.268 120.068 119.800 0.000 0.000 2.050 98 Q HA -0.175 4.205 4.340 0.067 0.000 0.202 98 Q C 2.377 178.382 176.000 0.008 0.000 0.980 98 Q CA 1.375 57.181 55.803 0.004 0.000 0.840 98 Q CB -0.039 28.703 28.738 0.006 0.000 0.898 98 Q HN 0.369 nan 8.270 nan 0.000 0.424 99 L N 0.072 121.301 121.223 0.010 0.000 2.012 99 L HA -0.207 4.173 4.340 0.067 0.000 0.210 99 L C 2.573 179.447 176.870 0.007 0.000 1.073 99 L CA 1.206 56.053 54.840 0.011 0.000 0.748 99 L CB -0.617 41.452 42.059 0.016 0.000 0.891 99 L HN 0.284 nan 8.230 nan 0.000 0.431 100 A N -0.084 122.740 122.820 0.006 0.000 1.933 100 A HA -0.205 4.155 4.320 0.067 0.000 0.218 100 A C 2.378 179.964 177.584 0.002 0.000 1.175 100 A CA 2.153 54.192 52.037 0.004 0.000 0.628 100 A CB -0.917 18.085 19.000 0.003 0.000 0.814 100 A HN 0.533 nan 8.150 nan 0.000 0.444 101 T N -3.700 110.856 114.554 0.002 0.000 3.088 101 T HA 0.190 4.580 4.350 0.067 0.000 0.259 101 T C 1.439 176.140 174.700 0.002 0.000 1.122 101 T CA 1.184 63.285 62.100 0.002 0.000 1.095 101 T CB -0.074 68.795 68.868 0.001 0.000 0.930 101 T HN 0.360 nan 8.240 nan 0.000 0.508 102 G N 0.093 108.895 108.800 0.003 0.000 3.088 102 G HA2 0.447 4.447 3.960 0.067 0.000 0.217 102 G HA3 0.447 4.447 3.960 0.067 0.000 0.217 102 G C 1.162 176.063 174.900 0.001 0.000 1.159 102 G CA -0.094 45.008 45.100 0.003 0.000 0.760 102 G HN 1.089 nan 8.290 nan 0.000 0.550 103 G N 0.086 108.887 108.800 0.001 0.000 2.147 103 G HA2 -0.322 3.678 3.960 0.067 0.000 0.244 103 G HA3 -0.322 3.678 3.960 0.067 0.000 0.244 103 G C 1.308 176.207 174.900 -0.001 0.000 1.005 103 G CA 1.150 46.250 45.100 -0.001 0.000 0.713 103 G HN 0.739 nan 8.290 nan 0.000 0.515 104 S N -0.009 115.692 115.700 0.001 0.000 2.345 104 S HA -0.071 4.439 4.470 0.067 0.000 0.219 104 S C 1.947 176.547 174.600 0.001 0.000 1.031 104 S CA 2.135 60.335 58.200 0.000 0.000 0.984 104 S CB -0.296 62.907 63.200 0.004 0.000 0.874 104 S HN 1.913 nan 8.310 nan 0.000 0.451 105 Q N -0.854 118.948 119.800 0.004 0.000 2.282 105 Q HA -0.229 4.151 4.340 0.067 0.000 0.182 105 Q C 0.115 176.119 176.000 0.007 0.000 0.609 105 Q CA 1.055 56.860 55.803 0.005 0.000 1.397 105 Q CB -2.665 26.074 28.738 0.001 0.000 1.458 105 Q HN 0.757 nan 8.270 nan 0.000 0.852 106 A N 1.712 124.538 122.820 0.009 0.000 2.520 106 A HA 0.472 4.832 4.320 0.067 0.000 0.235 106 A C 0.638 178.235 177.584 0.023 0.000 1.065 106 A CA 0.110 52.156 52.037 0.014 0.000 0.764 106 A CB 0.142 19.152 19.000 0.016 0.000 1.002 106 A HN 0.366 nan 8.150 nan 0.000 0.502 107 L N 1.529 122.769 121.223 0.028 0.000 2.453 107 L HA 0.443 4.823 4.340 0.067 0.000 0.261 107 L C -0.346 176.553 176.870 0.048 0.000 1.179 107 L CA -0.594 54.268 54.840 0.036 0.000 0.813 107 L CB 0.897 42.977 42.059 0.035 0.000 1.110 107 L HN 0.429 nan 8.230 nan 0.000 0.466 108 V N 1.972 121.919 119.914 0.055 0.000 2.487 108 V HA 0.606 4.766 4.120 0.067 0.000 0.298 108 V C -0.200 175.943 176.094 0.082 0.000 1.028 108 V CA -0.832 61.509 62.300 0.069 0.000 0.860 108 V CB 1.672 33.529 31.823 0.057 0.000 0.991 108 V HN 0.665 nan 8.190 nan 0.000 0.427 109 R N 2.096 122.654 120.500 0.096 0.000 2.837 109 R HA 0.787 5.167 4.340 0.067 0.000 0.271 109 R C -0.589 175.789 176.300 0.129 0.000 0.993 109 R CA -0.592 55.570 56.100 0.104 0.000 0.931 109 R CB 2.399 32.754 30.300 0.090 0.000 1.206 109 R HN 0.878 nan 8.270 nan 0.000 0.474 110 S N -1.152 114.622 115.700 0.122 0.000 2.600 110 S HA 0.323 4.833 4.470 0.067 0.000 0.300 110 S C 0.604 175.253 174.600 0.081 0.000 1.087 110 S CA -0.706 57.584 58.200 0.149 0.000 0.965 110 S CB 1.990 65.289 63.200 0.165 0.000 1.089 110 S HN 0.424 nan 8.310 nan 0.000 0.496 111 S N 1.148 116.891 115.700 0.072 0.000 2.382 111 S HA -0.074 4.436 4.470 0.067 0.000 0.228 111 S C 2.176 176.762 174.600 -0.024 0.000 1.027 111 S CA 1.277 59.489 58.200 0.020 0.000 0.991 111 S CB -0.888 62.316 63.200 0.007 0.000 0.823 111 S HN 0.920 nan 8.310 nan 0.000 0.469 112 A N 1.662 124.456 122.820 -0.043 0.000 1.858 112 A HA 0.038 4.398 4.320 0.067 0.000 0.216 112 A C 2.371 179.810 177.584 -0.242 0.000 1.190 112 A CA 1.789 53.742 52.037 -0.138 0.000 0.617 112 A CB -1.481 17.412 19.000 -0.178 0.000 0.827 112 A HN 0.520 nan 8.150 nan 0.000 0.443 113 G N -0.829 107.789 108.800 -0.302 0.000 2.408 113 G HA2 0.065 4.065 3.960 0.067 0.000 0.217 113 G HA3 0.065 4.065 3.960 0.067 0.000 0.217 113 G C 1.712 176.528 174.900 -0.141 0.000 1.150 113 G CA 1.370 46.194 45.100 -0.461 0.000 0.776 113 G HN 0.807 nan 8.290 nan 0.000 0.542 114 A N 0.485 123.283 122.820 -0.036 0.000 1.902 114 A HA 0.033 4.393 4.320 0.067 0.000 0.217 114 A C 2.338 179.928 177.584 0.010 0.000 1.181 114 A CA 1.639 53.697 52.037 0.035 0.000 0.623 114 A CB -0.434 18.601 19.000 0.058 0.000 0.818 114 A HN 0.406 nan 8.150 nan 0.000 0.443 115 L N -0.064 121.135 121.223 -0.040 0.000 2.017 115 L HA -0.127 4.253 4.340 0.067 0.000 0.208 115 L C 2.431 179.260 176.870 -0.068 0.000 1.073 115 L CA 1.937 56.737 54.840 -0.067 0.000 0.745 115 L CB -0.473 41.536 42.059 -0.083 0.000 0.894 115 L HN 0.170 nan 8.230 nan 0.000 0.432 116 V N -0.223 119.679 119.914 -0.020 0.000 2.343 116 V HA -0.316 3.844 4.120 0.067 0.000 0.247 116 V C 2.559 178.747 176.094 0.156 0.000 1.051 116 V CA 2.045 64.430 62.300 0.142 0.000 1.036 116 V CB -0.739 31.172 31.823 0.148 0.000 0.654 116 V HN 0.624 nan 8.190 nan 0.000 0.451 117 E N 0.451 120.705 120.200 0.090 0.000 2.051 117 E HA -0.190 4.200 4.350 0.067 0.000 0.192 117 E C 2.286 178.906 176.600 0.034 0.000 0.991 117 E CA 1.508 57.982 56.400 0.123 0.000 0.799 117 E CB -0.482 29.322 29.700 0.173 0.000 0.748 117 E HN 0.560 nan 8.360 nan 0.000 0.449 118 G N 1.234 109.994 108.800 -0.067 0.000 2.418 118 G HA2 -0.233 3.767 3.960 0.067 0.000 0.217 118 G HA3 -0.233 3.767 3.960 0.067 0.000 0.217 118 G C 1.610 176.385 174.900 -0.209 0.000 1.158 118 G CA 0.757 45.677 45.100 -0.299 0.000 0.771 118 G HN 0.211 nan 8.290 nan 0.000 0.545 119 L N -0.172 120.986 121.223 -0.108 0.000 2.046 119 L HA -0.041 4.339 4.340 0.067 0.000 0.208 119 L C 3.199 180.129 176.870 0.099 0.000 1.077 119 L CA 0.807 55.604 54.840 -0.071 0.000 0.747 119 L CB -0.316 41.554 42.059 -0.315 0.000 0.896 119 L HN 0.073 nan 8.230 nan 0.000 0.432 120 R N 0.154 120.763 120.500 0.181 0.000 2.081 120 R HA -0.129 4.251 4.340 0.067 0.000 0.235 120 R C 2.307 178.645 176.300 0.064 0.000 1.131 120 R CA 1.475 57.667 56.100 0.155 0.000 0.960 120 R CB -0.821 29.568 30.300 0.148 0.000 0.856 120 R HN 0.370 nan 8.270 nan 0.000 0.436 121 A N 0.868 123.682 122.820 -0.011 0.000 1.978 121 A HA -0.118 4.242 4.320 0.067 0.000 0.220 121 A C 1.844 179.398 177.584 -0.049 0.000 1.170 121 A CA 1.104 53.109 52.037 -0.054 0.000 0.636 121 A CB -0.217 18.603 19.000 -0.299 0.000 0.810 121 A HN 0.094 nan 8.150 nan 0.000 0.448 122 L N -0.774 120.412 121.223 -0.062 0.000 2.591 122 L HA 0.106 4.486 4.340 0.067 0.000 0.228 122 L C 0.287 177.164 176.870 0.013 0.000 1.133 122 L CA 0.935 55.755 54.840 -0.033 0.000 0.880 122 L CB -1.389 40.638 42.059 -0.053 0.000 1.033 122 L HN 0.533 nan 8.230 nan 0.000 0.450 123 D N -0.342 120.080 120.400 0.038 0.000 2.708 123 D HA -0.195 4.485 4.640 0.067 0.000 0.236 123 D C 0.413 176.758 176.300 0.075 0.000 1.146 123 D CA 0.781 54.815 54.000 0.056 0.000 0.662 123 D CB -0.302 40.521 40.800 0.039 0.000 1.059 123 D HN 0.381 nan 8.370 nan 0.000 0.428 124 A N 0.275 123.163 122.820 0.115 0.000 2.328 124 A HA 0.507 4.867 4.320 0.067 0.000 0.284 124 A C 0.987 178.708 177.584 0.228 0.000 1.160 124 A CA -0.142 51.973 52.037 0.131 0.000 0.818 124 A CB 1.442 20.489 19.000 0.079 0.000 1.087 124 A HN 0.261 nan 8.150 nan 0.000 0.504 125 Q N 1.811 121.709 119.800 0.164 0.000 2.581 125 Q HA 0.172 4.552 4.340 0.067 0.000 0.222 125 Q C 0.352 176.467 176.000 0.192 0.000 0.904 125 Q CA 1.036 56.948 55.803 0.182 0.000 0.923 125 Q CB 0.273 29.063 28.738 0.087 0.000 1.117 125 Q HN 0.743 nan 8.270 nan 0.000 0.618 126 R N 0.346 120.913 120.500 0.112 0.000 2.254 126 R HA 0.553 4.933 4.340 0.067 0.000 0.318 126 R C -1.209 175.124 176.300 0.054 0.000 1.031 126 R CA -0.326 55.824 56.100 0.084 0.000 0.905 126 R CB 1.594 31.925 30.300 0.051 0.000 1.050 126 R HN 0.016 nan 8.270 nan 0.000 0.456 127 V N 1.794 121.734 119.914 0.044 0.000 2.789 127 V HA 0.693 4.853 4.120 0.067 0.000 0.311 127 V C -0.525 175.570 176.094 0.001 0.000 1.073 127 V CA -0.948 61.341 62.300 -0.018 0.000 0.921 127 V CB 2.006 33.761 31.823 -0.113 0.000 1.009 127 V HN 0.895 nan 8.190 nan 0.000 0.426 128 A N 4.697 127.503 122.820 -0.023 0.000 2.365 128 A HA 0.985 5.345 4.320 0.067 0.000 0.318 128 A C -1.178 176.407 177.584 0.002 0.000 1.091 128 A CA -0.575 51.462 52.037 0.000 0.000 0.763 128 A CB 1.246 20.214 19.000 -0.054 0.000 1.248 128 A HN 0.777 nan 8.150 nan 0.000 0.442 129 L N 1.635 122.902 121.223 0.072 0.000 2.381 129 L HA 0.698 5.078 4.340 0.067 0.000 0.268 129 L C -0.947 175.978 176.870 0.092 0.000 0.997 129 L CA -1.071 53.812 54.840 0.071 0.000 0.818 129 L CB 2.085 44.199 42.059 0.092 0.000 1.310 129 L HN 0.387 nan 8.230 nan 0.000 0.416 130 V N 0.782 120.718 119.914 0.037 0.000 2.448 130 V HA 0.703 4.863 4.120 0.067 0.000 0.295 130 V C 0.029 176.112 176.094 -0.018 0.000 1.025 130 V CA -0.360 61.956 62.300 0.026 0.000 0.859 130 V CB 1.877 33.699 31.823 -0.003 0.000 0.988 130 V HN 0.938 nan 8.190 nan 0.000 0.431 131 T N 2.126 116.663 114.554 -0.029 0.000 2.903 131 T HA 0.577 4.967 4.350 0.067 0.000 0.299 131 T C -2.477 172.069 174.700 -0.256 0.000 1.093 131 T CA -1.897 60.077 62.100 -0.210 0.000 1.002 131 T CB 2.820 71.622 68.868 -0.111 0.000 1.127 131 T HN 0.411 nan 8.240 nan 0.000 0.488 132 P HA 0.156 nan 4.420 nan 0.000 0.251 132 P C -0.251 176.933 177.300 -0.192 0.000 1.223 132 P CA -0.097 62.823 63.100 -0.299 0.000 0.796 132 P CB -0.139 31.376 31.700 -0.308 0.000 1.068 133 Y N 0.246 120.556 120.300 0.017 0.000 2.426 133 Y HA 0.124 4.713 4.550 0.065 0.000 0.344 133 Y C 1.846 177.764 175.900 0.030 0.000 1.256 133 Y CA -0.732 57.373 58.100 0.007 0.000 1.451 133 Y CB -0.354 38.094 38.460 -0.021 0.000 1.342 133 Y HN -0.169 nan 8.280 nan 0.000 0.600 134 M N 1.599 121.319 119.600 0.200 0.000 2.252 134 M HA -0.012 4.508 4.480 0.067 0.000 0.329 134 M C 1.415 177.802 176.300 0.145 0.000 1.101 134 M CA 0.513 55.893 55.300 0.133 0.000 1.117 134 M CB 0.050 32.702 32.600 0.086 0.000 1.563 134 M HN 0.756 nan 8.290 nan 0.000 0.445 135 R N 1.874 122.463 120.500 0.148 0.000 2.103 135 R HA -0.182 4.198 4.340 0.067 0.000 0.242 135 R C -0.696 175.657 176.300 0.089 0.000 1.142 135 R CA 1.702 57.915 56.100 0.187 0.000 0.960 135 R CB -1.424 29.009 30.300 0.222 0.000 0.858 135 R HN 0.570 nan 8.270 nan 0.000 0.439 136 P HA -0.126 nan 4.420 nan 0.000 0.217 136 P C 1.200 178.464 177.300 -0.059 0.000 1.150 136 P CA 1.068 64.170 63.100 0.002 0.000 0.832 136 P CB 0.025 31.730 31.700 0.007 0.000 0.787 137 L N -1.011 120.172 121.223 -0.067 0.000 2.056 137 L HA -0.140 4.240 4.340 0.067 0.000 0.207 137 L C 2.386 179.111 176.870 -0.241 0.000 1.078 137 L CA 1.522 56.256 54.840 -0.177 0.000 0.749 137 L CB -1.018 40.907 42.059 -0.222 0.000 0.901 137 L HN -0.031 nan 8.230 nan 0.000 0.433 138 A N -0.136 122.615 122.820 -0.115 0.000 1.908 138 A HA -0.257 4.103 4.320 0.067 0.000 0.218 138 A C 2.082 179.375 177.584 -0.486 0.000 1.181 138 A CA 1.802 53.733 52.037 -0.177 0.000 0.627 138 A CB -0.448 18.504 19.000 -0.080 0.000 0.818 138 A HN 0.440 nan 8.150 nan 0.000 0.445 139 E N -0.271 119.670 120.200 -0.432 0.000 2.110 139 E HA -0.175 4.215 4.350 0.067 0.000 0.193 139 E C 2.056 178.508 176.600 -0.247 0.000 0.988 139 E CA 1.326 57.490 56.400 -0.393 0.000 0.804 139 E CB -0.087 29.518 29.700 -0.158 0.000 0.745 139 E HN 0.572 nan 8.360 nan 0.000 0.458 140 K N 0.219 120.509 120.400 -0.184 0.000 2.057 140 K HA -0.116 4.244 4.320 0.067 0.000 0.207 140 K C 2.159 178.699 176.600 -0.100 0.000 1.049 140 K CA 1.082 57.298 56.287 -0.118 0.000 0.931 140 K CB -0.067 32.362 32.500 -0.118 0.000 0.714 140 K HN 0.026 nan 8.250 nan 0.000 0.440 141 V N 1.160 120.967 119.914 -0.179 0.000 2.295 141 V HA -0.220 3.940 4.120 0.067 0.000 0.246 141 V C 2.349 178.396 176.094 -0.078 0.000 1.049 141 V CA 1.405 63.629 62.300 -0.128 0.000 1.024 141 V CB -0.335 31.396 31.823 -0.154 0.000 0.648 141 V HN 0.063 nan 8.190 nan 0.000 0.447 142 V N 0.460 120.241 119.914 -0.223 0.000 2.252 142 V HA -0.331 3.829 4.120 0.067 0.000 0.249 142 V C 2.729 178.786 176.094 -0.061 0.000 1.056 142 V CA 2.370 64.542 62.300 -0.213 0.000 1.022 142 V CB -1.190 30.348 31.823 -0.475 0.000 0.641 142 V HN 0.579 nan 8.190 nan 0.000 0.445 143 A N -1.566 121.220 122.820 -0.057 0.000 1.933 143 A HA -0.262 4.098 4.320 0.067 0.000 0.218 143 A C 2.126 179.733 177.584 0.038 0.000 1.175 143 A CA 2.002 54.036 52.037 -0.005 0.000 0.628 143 A CB -0.760 18.233 19.000 -0.012 0.000 0.814 143 A HN 0.648 nan 8.150 nan 0.000 0.444 144 Y N -0.120 120.159 120.300 -0.035 0.000 2.145 144 Y HA -0.195 4.396 4.550 0.067 0.000 0.286 144 Y C 1.994 177.928 175.900 0.056 0.000 1.145 144 Y CA 1.762 59.864 58.100 0.003 0.000 1.148 144 Y CB -0.126 38.327 38.460 -0.013 0.000 0.981 144 Y HN 0.219 nan 8.280 nan 0.000 0.507 145 L N 0.615 121.982 121.223 0.241 0.000 2.141 145 L HA -0.169 4.211 4.340 0.067 0.000 0.209 145 L C 2.169 179.187 176.870 0.246 0.000 1.094 145 L CA 1.580 56.588 54.840 0.280 0.000 0.763 145 L CB -1.164 41.008 42.059 0.189 0.000 0.908 145 L HN 0.344 nan 8.230 nan 0.000 0.437 146 E N -0.685 119.584 120.200 0.115 0.000 2.072 146 E HA -0.168 4.222 4.350 0.067 0.000 0.191 146 E C 2.224 178.818 176.600 -0.010 0.000 0.985 146 E CA 1.094 57.534 56.400 0.066 0.000 0.801 146 E CB -0.125 29.599 29.700 0.040 0.000 0.750 146 E HN 0.471 nan 8.360 nan 0.000 0.452 147 A N 1.408 124.187 122.820 -0.068 0.000 2.019 147 A HA -0.178 4.182 4.320 0.067 0.000 0.219 147 A C 1.782 179.274 177.584 -0.153 0.000 1.164 147 A CA 1.105 53.062 52.037 -0.135 0.000 0.644 147 A CB -0.185 18.685 19.000 -0.216 0.000 0.805 147 A HN 0.068 nan 8.150 nan 0.000 0.449 148 E N -1.435 118.688 120.200 -0.129 0.000 2.482 148 E HA 0.129 4.519 4.350 0.067 0.000 0.196 148 E C 1.340 177.765 176.600 -0.291 0.000 1.047 148 E CA 0.781 57.114 56.400 -0.111 0.000 0.869 148 E CB -0.003 29.753 29.700 0.094 0.000 0.836 148 E HN 0.799 nan 8.360 nan 0.000 0.520 149 G N 0.597 109.249 108.800 -0.247 0.000 2.201 149 G HA2 -0.224 3.776 3.960 0.067 0.000 0.212 149 G HA3 -0.224 3.776 3.960 0.067 0.000 0.212 149 G C 0.136 174.843 174.900 -0.320 0.000 0.994 149 G CA -0.295 44.621 45.100 -0.307 0.000 0.644 149 G HN 0.178 nan 8.290 nan 0.000 0.508 150 F N 1.719 121.668 119.950 -0.001 0.000 2.406 150 F HA 0.555 5.121 4.527 0.064 0.000 0.327 150 F C 1.062 176.868 175.800 0.010 0.000 1.153 150 F CA 0.252 58.256 58.000 0.006 0.000 1.218 150 F CB 1.103 40.110 39.000 0.011 0.000 1.215 150 F HN -0.092 nan 8.300 nan 0.000 0.570 151 T N 4.102 118.789 114.554 0.222 0.000 2.770 151 T HA 0.380 4.770 4.350 0.067 0.000 0.297 151 T C -0.178 174.605 174.700 0.138 0.000 0.997 151 T CA -0.466 61.717 62.100 0.138 0.000 0.949 151 T CB 0.293 69.217 68.868 0.094 0.000 0.941 151 T HN 0.154 nan 8.240 nan 0.000 0.457 152 I N 4.334 124.983 120.570 0.132 0.000 2.281 152 I HA 0.151 4.361 4.170 0.067 0.000 0.293 152 I C 1.658 177.868 176.117 0.155 0.000 1.085 152 I CA -0.183 61.201 61.300 0.139 0.000 1.257 152 I CB 0.265 38.350 38.000 0.142 0.000 1.430 152 I HN 0.726 nan 8.210 nan 0.000 0.489 153 S N 3.193 118.960 115.700 0.112 0.000 2.458 153 S HA 0.092 4.602 4.470 0.067 0.000 0.223 153 S C 0.514 175.150 174.600 0.061 0.000 1.019 153 S CA 0.118 58.365 58.200 0.077 0.000 0.937 153 S CB 0.420 63.644 63.200 0.040 0.000 0.788 153 S HN 0.628 nan 8.310 nan 0.000 0.511 154 D N -0.370 120.077 120.400 0.078 0.000 2.654 154 D HA 0.471 5.151 4.640 0.067 0.000 0.231 154 D C -1.716 174.657 176.300 0.121 0.000 1.239 154 D CA -0.582 53.419 54.000 0.001 0.000 0.790 154 D CB 1.831 42.587 40.800 -0.074 0.000 1.480 154 D HN 0.413 nan 8.370 nan 0.000 0.442 155 W N 1.687 122.972 121.300 -0.024 0.000 3.137 155 W HA 0.670 5.372 4.660 0.069 0.000 0.324 155 W C -1.292 175.216 176.519 -0.019 0.000 1.253 155 W CA -0.785 56.547 57.345 -0.021 0.000 1.183 155 W CB 0.844 30.304 29.460 0.000 0.000 1.424 155 W HN 0.155 nan 8.180 nan 0.000 0.566 156 R N 1.396 122.046 120.500 0.251 0.000 2.686 156 R HA 0.736 5.116 4.340 0.067 0.000 0.286 156 R C -0.986 175.501 176.300 0.312 0.000 0.969 156 R CA -0.868 55.314 56.100 0.137 0.000 0.898 156 R CB 2.101 32.412 30.300 0.019 0.000 1.183 156 R HN 0.637 nan 8.270 nan 0.000 0.456 157 A N 3.149 126.134 122.820 0.275 0.000 2.335 157 A HA 0.419 4.779 4.320 0.067 0.000 0.304 157 A C 0.789 178.441 177.584 0.113 0.000 1.118 157 A CA -0.598 51.584 52.037 0.242 0.000 0.757 157 A CB 0.719 19.949 19.000 0.384 0.000 1.188 157 A HN 0.726 nan 8.150 nan 0.000 0.460 158 L N 1.154 122.406 121.223 0.049 0.000 2.395 158 L HA 0.057 4.437 4.340 0.067 0.000 0.218 158 L C 0.304 177.193 176.870 0.031 0.000 1.130 158 L CA 0.475 55.327 54.840 0.020 0.000 0.826 158 L CB -0.418 41.633 42.059 -0.013 0.000 0.941 158 L HN 0.870 nan 8.230 nan 0.000 0.451 159 E N 0.226 120.458 120.200 0.053 0.000 2.257 159 E HA -0.164 4.226 4.350 0.067 0.000 0.217 159 E C -0.817 175.808 176.600 0.041 0.000 1.248 159 E CA -0.066 56.372 56.400 0.063 0.000 0.691 159 E CB -1.461 28.278 29.700 0.065 0.000 1.185 159 E HN 0.165 nan 8.360 nan 0.000 0.377 160 V N 0.491 120.423 119.914 0.030 0.000 2.293 160 V HA 0.368 4.528 4.120 0.067 0.000 0.275 160 V C 1.120 177.238 176.094 0.040 0.000 1.021 160 V CA 0.491 62.805 62.300 0.023 0.000 0.815 160 V CB 1.260 33.084 31.823 0.000 0.000 1.025 160 V HN 0.477 nan 8.190 nan 0.000 0.448 161 A N 2.797 125.646 122.820 0.047 0.000 1.930 161 A HA -0.029 4.331 4.320 0.067 0.000 0.215 161 A C 1.207 178.822 177.584 0.052 0.000 1.176 161 A CA 0.689 52.759 52.037 0.055 0.000 0.632 161 A CB -0.075 18.951 19.000 0.044 0.000 0.819 161 A HN 0.741 nan 8.150 nan 0.000 0.445 162 D N 0.033 120.463 120.400 0.050 0.000 2.338 162 D HA 0.032 4.712 4.640 0.067 0.000 0.255 162 D C 0.456 176.789 176.300 0.055 0.000 1.237 162 D CA -0.114 53.925 54.000 0.065 0.000 0.883 162 D CB 0.422 41.258 40.800 0.061 0.000 1.087 162 D HN 0.154 nan 8.370 nan 0.000 0.485 163 N N 2.314 121.054 118.700 0.067 0.000 2.192 163 N HA -0.161 4.619 4.740 0.067 0.000 0.188 163 N C 1.386 176.916 175.510 0.033 0.000 1.013 163 N CA 1.484 54.564 53.050 0.049 0.000 0.863 163 N CB 0.199 38.720 38.487 0.057 0.000 0.990 163 N HN 0.374 nan 8.380 nan 0.000 0.430 164 T N 0.097 114.676 114.554 0.040 0.000 2.746 164 T HA -0.089 4.301 4.350 0.067 0.000 0.267 164 T C 1.514 176.217 174.700 0.005 0.000 1.039 164 T CA 1.183 63.292 62.100 0.016 0.000 1.142 164 T CB -0.247 68.625 68.868 0.006 0.000 0.866 164 T HN 0.388 nan 8.240 nan 0.000 0.444 165 E N 0.561 120.766 120.200 0.009 0.000 2.077 165 E HA -0.096 4.294 4.350 0.067 0.000 0.193 165 E C 2.381 178.977 176.600 -0.007 0.000 0.989 165 E CA 0.929 57.330 56.400 0.002 0.000 0.800 165 E CB -0.321 29.383 29.700 0.007 0.000 0.746 165 E HN 0.232 nan 8.360 nan 0.000 0.452 166 V N 1.006 120.916 119.914 -0.007 0.000 2.324 166 V HA -0.263 3.897 4.120 0.067 0.000 0.250 166 V C 2.365 178.441 176.094 -0.031 0.000 1.060 166 V CA 2.043 64.327 62.300 -0.026 0.000 1.042 166 V CB -1.066 30.739 31.823 -0.030 0.000 0.650 166 V HN 0.448 nan 8.190 nan 0.000 0.450 167 G N -1.748 107.039 108.800 -0.022 0.000 2.498 167 G HA2 -0.228 3.772 3.960 0.067 0.000 0.219 167 G HA3 -0.228 3.772 3.960 0.067 0.000 0.219 167 G C 1.229 176.114 174.900 -0.026 0.000 1.119 167 G CA 1.205 46.289 45.100 -0.026 0.000 0.766 167 G HN 0.608 nan 8.290 nan 0.000 0.552 168 C N 0.552 119.839 119.300 -0.022 0.000 2.974 168 C HA 0.444 4.944 4.460 0.067 0.000 0.282 168 C C 0.984 175.962 174.990 -0.020 0.000 1.292 168 C CA -1.367 57.640 59.018 -0.020 0.000 1.710 168 C CB -1.102 26.629 27.740 -0.015 0.000 2.036 168 C HN 0.297 nan 8.230 nan 0.000 0.629 169 I N 3.840 124.395 120.570 -0.025 0.000 2.662 169 I HA 0.075 4.285 4.170 0.067 0.000 0.285 169 I C -1.991 174.112 176.117 -0.022 0.000 1.161 169 I CA -0.679 60.606 61.300 -0.025 0.000 1.415 169 I CB 0.327 38.306 38.000 -0.034 0.000 1.385 169 I HN 0.034 nan 8.210 nan 0.000 0.552 170 P HA 0.107 nan 4.420 nan 0.000 0.275 170 P C 0.925 178.216 177.300 -0.014 0.000 1.228 170 P CA -0.333 62.757 63.100 -0.016 0.000 0.786 170 P CB 0.898 32.590 31.700 -0.012 0.000 0.927 171 G N 1.653 110.445 108.800 -0.014 0.000 2.475 171 G HA2 -0.254 3.746 3.960 0.067 0.000 0.220 171 G HA3 -0.254 3.746 3.960 0.067 0.000 0.220 171 G C 1.229 176.127 174.900 -0.005 0.000 1.125 171 G CA 0.478 45.572 45.100 -0.011 0.000 0.755 171 G HN 0.457 nan 8.290 nan 0.000 0.565 172 E N 0.035 120.232 120.200 -0.006 0.000 2.150 172 E HA -0.114 4.276 4.350 0.067 0.000 0.193 172 E C 2.424 179.027 176.600 0.004 0.000 0.985 172 E CA 0.751 57.150 56.400 -0.001 0.000 0.814 172 E CB -0.201 29.497 29.700 -0.005 0.000 0.752 172 E HN 0.626 nan 8.360 nan 0.000 0.466 173 Q N 0.313 120.113 119.800 -0.001 0.000 2.050 173 Q HA -0.118 4.262 4.340 0.067 0.000 0.202 173 Q C 2.265 178.267 176.000 0.004 0.000 0.980 173 Q CA 1.362 57.165 55.803 -0.001 0.000 0.840 173 Q CB 0.182 28.916 28.738 -0.007 0.000 0.898 173 Q HN 0.075 nan 8.270 nan 0.000 0.424 174 V N 0.467 120.383 119.914 0.002 0.000 2.295 174 V HA -0.293 3.867 4.120 0.067 0.000 0.246 174 V C 2.333 178.449 176.094 0.037 0.000 1.049 174 V CA 1.446 63.752 62.300 0.009 0.000 1.024 174 V CB -0.465 31.358 31.823 0.000 0.000 0.648 174 V HN 0.470 nan 8.190 nan 0.000 0.447 175 M N -0.119 119.509 119.600 0.046 0.000 2.175 175 M HA -0.079 4.441 4.480 0.067 0.000 0.264 175 M C 2.393 178.751 176.300 0.096 0.000 1.063 175 M CA 2.057 57.408 55.300 0.085 0.000 1.119 175 M CB -1.535 31.092 32.600 0.046 0.000 1.377 175 M HN 0.409 nan 8.290 nan 0.000 0.415 176 A N 0.093 122.944 122.820 0.051 0.000 1.933 176 A HA -0.000 4.360 4.320 0.067 0.000 0.218 176 A C 2.421 180.025 177.584 0.032 0.000 1.175 176 A CA 2.064 54.125 52.037 0.040 0.000 0.628 176 A CB -0.845 18.166 19.000 0.018 0.000 0.814 176 A HN 0.470 nan 8.150 nan 0.000 0.444 177 A N -0.236 122.597 122.820 0.022 0.000 1.898 177 A HA 0.217 4.577 4.320 0.067 0.000 0.216 177 A C 2.486 180.065 177.584 -0.009 0.000 1.181 177 A CA 1.910 53.947 52.037 0.001 0.000 0.620 177 A CB -0.933 18.067 19.000 -0.001 0.000 0.819 177 A HN 1.005 nan 8.150 nan 0.000 0.442 178 A N -0.151 122.682 122.820 0.020 0.000 1.898 178 A HA -0.135 4.225 4.320 0.067 0.000 0.216 178 A C 2.189 179.726 177.584 -0.078 0.000 1.181 178 A CA 1.504 53.520 52.037 -0.035 0.000 0.620 178 A CB -0.432 18.622 19.000 0.089 0.000 0.819 178 A HN 0.515 nan 8.150 nan 0.000 0.442 179 R N 0.293 120.868 120.500 0.126 0.000 2.193 179 R HA -0.092 4.288 4.340 0.067 0.000 0.229 179 R C 2.284 178.599 176.300 0.025 0.000 1.110 179 R CA 1.422 57.614 56.100 0.153 0.000 0.988 179 R CB -0.237 30.173 30.300 0.183 0.000 0.871 179 R HN 0.705 nan 8.270 nan 0.000 0.458 180 S N -0.180 115.510 115.700 -0.015 0.000 2.528 180 S HA 0.084 4.594 4.470 0.067 0.000 0.219 180 S C 0.759 175.312 174.600 -0.078 0.000 0.985 180 S CA -0.155 58.022 58.200 -0.040 0.000 0.914 180 S CB -0.010 63.166 63.200 -0.040 0.000 0.776 180 S HN 0.073 nan 8.310 nan 0.000 0.526 181 L N 2.371 123.525 121.223 -0.114 0.000 2.439 181 L HA 0.311 4.691 4.340 0.067 0.000 0.269 181 L C 0.240 177.032 176.870 -0.130 0.000 1.179 181 L CA -0.425 54.331 54.840 -0.138 0.000 0.828 181 L CB 0.274 42.227 42.059 -0.177 0.000 1.106 181 L HN 0.130 nan 8.230 nan 0.000 0.467 182 D N 2.954 123.290 120.400 -0.107 0.000 2.352 182 D HA 0.157 4.837 4.640 0.067 0.000 0.245 182 D C 0.397 176.642 176.300 -0.092 0.000 1.224 182 D CA 0.197 54.147 54.000 -0.084 0.000 0.879 182 D CB 0.796 41.559 40.800 -0.063 0.000 1.057 182 D HN 0.350 nan 8.370 nan 0.000 0.491 183 L N 2.403 123.564 121.223 -0.104 0.000 2.693 183 L HA 0.098 4.478 4.340 0.067 0.000 0.235 183 L C 0.823 177.661 176.870 -0.053 0.000 1.127 183 L CA -0.229 54.545 54.840 -0.111 0.000 0.914 183 L CB -0.042 41.899 42.059 -0.197 0.000 1.193 183 L HN 0.301 nan 8.230 nan 0.000 0.502 184 S N 0.054 115.734 115.700 -0.034 0.000 2.533 184 S HA 0.059 4.569 4.470 0.067 0.000 0.282 184 S C 0.641 175.236 174.600 -0.009 0.000 1.304 184 S CA -0.325 57.867 58.200 -0.013 0.000 1.063 184 S CB 0.786 63.981 63.200 -0.008 0.000 0.881 184 S HN 0.453 nan 8.310 nan 0.000 0.493 185 E N -1.050 119.150 120.200 -0.001 0.000 2.883 185 E HA -0.165 4.225 4.350 0.067 0.000 0.271 185 E C -0.645 175.958 176.600 0.004 0.000 1.049 185 E CA 0.684 57.087 56.400 0.005 0.000 0.817 185 E CB -1.843 27.861 29.700 0.007 0.000 1.407 185 E HN 0.547 nan 8.360 nan 0.000 0.434 186 V N 1.200 121.110 119.914 -0.006 0.000 2.546 186 V HA 0.027 4.187 4.120 0.067 0.000 0.284 186 V C 1.228 177.321 176.094 -0.001 0.000 1.050 186 V CA 0.156 62.450 62.300 -0.009 0.000 0.981 186 V CB 1.544 33.344 31.823 -0.037 0.000 0.990 186 V HN 0.123 nan 8.190 nan 0.000 0.474 187 D N 2.641 123.046 120.400 0.008 0.000 2.216 187 D HA 0.243 4.923 4.640 0.067 0.000 0.208 187 D C 0.530 176.831 176.300 0.001 0.000 0.960 187 D CA 1.109 55.117 54.000 0.014 0.000 0.861 187 D CB 0.582 41.401 40.800 0.032 0.000 0.985 187 D HN 0.640 nan 8.370 nan 0.000 0.493 188 A N 0.161 122.970 122.820 -0.017 0.000 2.549 188 A HA 0.561 4.921 4.320 0.067 0.000 0.297 188 A C -1.864 175.688 177.584 -0.054 0.000 1.061 188 A CA -0.630 51.386 52.037 -0.035 0.000 0.690 188 A CB 1.590 20.556 19.000 -0.057 0.000 1.287 188 A HN 0.057 nan 8.150 nan 0.000 0.402 189 L N 2.340 123.535 121.223 -0.047 0.000 2.305 189 L HA 0.670 5.050 4.340 0.067 0.000 0.284 189 L C -0.944 175.897 176.870 -0.047 0.000 1.013 189 L CA -0.328 54.476 54.840 -0.059 0.000 0.819 189 L CB 1.676 43.690 42.059 -0.075 0.000 1.227 189 L HN 0.424 nan 8.230 nan 0.000 0.417 190 V N 7.453 127.331 119.914 -0.060 0.000 2.356 190 V HA 0.150 4.310 4.120 0.067 0.000 0.258 190 V C 1.318 177.393 176.094 -0.032 0.000 1.065 190 V CA 0.128 62.395 62.300 -0.055 0.000 0.935 190 V CB 0.511 32.289 31.823 -0.074 0.000 1.061 190 V HN 0.903 nan 8.190 nan 0.000 0.484 191 I N 3.469 124.029 120.570 -0.016 0.000 2.761 191 I HA 0.045 4.255 4.170 0.067 0.000 0.261 191 I C 1.104 177.210 176.117 -0.019 0.000 1.198 191 I CA 0.959 62.260 61.300 0.000 0.000 1.482 191 I CB 0.542 38.564 38.000 0.036 0.000 1.100 191 I HN 0.622 nan 8.210 nan 0.000 0.445 192 S N -1.322 114.358 115.700 -0.034 0.000 2.775 192 S HA 0.180 4.690 4.470 0.067 0.000 0.277 192 S C 0.592 175.159 174.600 -0.055 0.000 1.156 192 S CA -0.865 57.301 58.200 -0.057 0.000 1.081 192 S CB 0.836 64.000 63.200 -0.060 0.000 1.054 192 S HN 0.288 nan 8.310 nan 0.000 0.482 193 C N 3.801 123.067 119.300 -0.058 0.000 2.435 193 C HA 0.298 4.798 4.460 0.067 0.000 0.279 193 C C 1.807 176.804 174.990 0.012 0.000 1.321 193 C CA 1.052 60.063 59.018 -0.012 0.000 1.752 193 C CB -1.529 26.247 27.740 0.060 0.000 1.959 193 C HN 0.905 nan 8.230 nan 0.000 0.500 194 A N 0.099 122.879 122.820 -0.068 0.000 2.259 194 A HA 0.461 4.821 4.320 0.067 0.000 0.278 194 A C 1.076 178.645 177.584 -0.025 0.000 1.107 194 A CA 0.446 52.471 52.037 -0.019 0.000 0.828 194 A CB 0.401 19.293 19.000 -0.180 0.000 1.111 194 A HN 0.584 nan 8.150 nan 0.000 0.498 195 V N -2.549 117.359 119.914 -0.010 0.000 3.660 195 V HA 0.074 4.234 4.120 0.067 0.000 0.276 195 V C 1.651 177.721 176.094 -0.040 0.000 1.317 195 V CA 1.326 63.607 62.300 -0.031 0.000 1.097 195 V CB -0.573 31.231 31.823 -0.032 0.000 0.863 195 V HN 0.853 nan 8.190 nan 0.000 0.438 196 Q N 0.763 120.540 119.800 -0.038 0.000 2.250 196 Q HA 0.238 4.618 4.340 0.067 0.000 0.200 196 Q C 1.274 177.241 176.000 -0.054 0.000 0.941 196 Q CA 0.684 56.463 55.803 -0.040 0.000 0.872 196 Q CB -0.076 28.648 28.738 -0.024 0.000 0.965 196 Q HN 0.690 nan 8.270 nan 0.000 0.480 197 M N 3.071 122.625 119.600 -0.077 0.000 2.307 197 M HA 0.194 4.714 4.480 0.067 0.000 0.346 197 M C -2.197 174.065 176.300 -0.063 0.000 1.552 197 M CA -1.967 53.284 55.300 -0.081 0.000 1.116 197 M CB 0.648 33.176 32.600 -0.120 0.000 1.889 197 M HN -0.061 nan 8.290 nan 0.000 0.460 198 P HA 0.148 nan 4.420 nan 0.000 0.271 198 P C -0.760 176.517 177.300 -0.039 0.000 1.218 198 P CA -0.156 62.917 63.100 -0.045 0.000 0.780 198 P CB 0.952 32.628 31.700 -0.039 0.000 0.901 199 S N 0.160 115.838 115.700 -0.035 0.000 2.583 199 S HA -0.004 4.506 4.470 0.067 0.000 0.264 199 S C 1.184 175.771 174.600 -0.022 0.000 1.008 199 S CA -0.206 57.979 58.200 -0.025 0.000 1.435 199 S CB -0.988 62.197 63.200 -0.024 0.000 1.236 199 S HN 0.205 nan 8.310 nan 0.000 0.669 200 L N 3.314 124.520 121.223 -0.029 0.000 2.021 200 L HA 0.119 4.499 4.340 0.067 0.000 0.215 200 L C -1.293 175.564 176.870 -0.022 0.000 1.074 200 L CA 2.404 57.227 54.840 -0.027 0.000 0.760 200 L CB -1.456 40.581 42.059 -0.037 0.000 0.889 200 L HN 0.218 nan 8.230 nan 0.000 0.433 201 P HA -0.094 nan 4.420 nan 0.000 0.228 201 P C 1.557 178.844 177.300 -0.021 0.000 1.151 201 P CA 1.258 64.345 63.100 -0.022 0.000 0.770 201 P CB -0.002 31.684 31.700 -0.023 0.000 0.786 202 L N -2.762 118.451 121.223 -0.016 0.000 2.515 202 L HA 0.037 4.417 4.340 0.067 0.000 0.223 202 L C 2.166 179.032 176.870 -0.006 0.000 1.079 202 L CA 0.205 55.037 54.840 -0.012 0.000 0.857 202 L CB -0.733 41.327 42.059 0.000 0.000 1.050 202 L HN -0.215 nan 8.230 nan 0.000 0.476 203 V N 0.623 120.535 119.914 -0.002 0.000 2.233 203 V HA -0.300 3.860 4.120 0.067 0.000 0.247 203 V C 2.600 178.695 176.094 0.002 0.000 1.050 203 V CA 2.318 64.622 62.300 0.006 0.000 1.010 203 V CB -0.361 31.463 31.823 0.001 0.000 0.637 203 V HN 0.417 nan 8.190 nan 0.000 0.444 204 E N 0.676 120.871 120.200 -0.009 0.000 2.072 204 E HA -0.179 4.211 4.350 0.067 0.000 0.191 204 E C 2.278 178.858 176.600 -0.032 0.000 0.985 204 E CA 1.965 58.356 56.400 -0.014 0.000 0.801 204 E CB -0.463 29.228 29.700 -0.014 0.000 0.750 204 E HN 0.802 nan 8.360 nan 0.000 0.452 205 T N -1.704 112.823 114.554 -0.046 0.000 2.777 205 T HA -0.003 4.387 4.350 0.067 0.000 0.266 205 T C 2.049 176.666 174.700 -0.138 0.000 1.040 205 T CA 1.271 63.323 62.100 -0.080 0.000 1.141 205 T CB -0.609 68.213 68.868 -0.078 0.000 0.868 205 T HN 0.183 nan 8.240 nan 0.000 0.444 206 A N 1.803 124.552 122.820 -0.118 0.000 1.902 206 A HA -0.110 4.250 4.320 0.067 0.000 0.217 206 A C 2.324 179.849 177.584 -0.099 0.000 1.181 206 A CA 1.891 53.819 52.037 -0.181 0.000 0.623 206 A CB -0.922 18.123 19.000 0.075 0.000 0.818 206 A HN 0.686 nan 8.150 nan 0.000 0.443 207 E N -0.368 119.835 120.200 0.005 0.000 2.110 207 E HA -0.208 4.182 4.350 0.067 0.000 0.193 207 E C 2.253 178.850 176.600 -0.006 0.000 0.988 207 E CA 1.168 57.592 56.400 0.040 0.000 0.804 207 E CB -0.071 29.645 29.700 0.028 0.000 0.745 207 E HN 0.600 nan 8.360 nan 0.000 0.458 208 R N 0.167 120.633 120.500 -0.057 0.000 2.090 208 R HA -0.084 4.296 4.340 0.067 0.000 0.228 208 R C 2.428 178.659 176.300 -0.114 0.000 1.110 208 R CA 1.184 57.244 56.100 -0.066 0.000 0.973 208 R CB -0.203 30.058 30.300 -0.065 0.000 0.869 208 R HN 0.273 nan 8.270 nan 0.000 0.440 209 E N 0.236 120.291 120.200 -0.240 0.000 2.051 209 E HA -0.152 4.238 4.350 0.067 0.000 0.192 209 E C 1.479 177.909 176.600 -0.284 0.000 0.991 209 E CA 1.238 57.415 56.400 -0.373 0.000 0.799 209 E CB 0.043 29.326 29.700 -0.696 0.000 0.748 209 E HN 0.299 nan 8.360 nan 0.000 0.449 210 F N -0.888 119.057 119.950 -0.009 0.000 2.569 210 F HA 0.193 4.760 4.527 0.066 0.000 0.295 210 F C 1.634 177.430 175.800 -0.007 0.000 1.115 210 F CA 0.229 58.224 58.000 -0.009 0.000 1.450 210 F CB 0.625 39.619 39.000 -0.010 0.000 1.107 210 F HN 0.209 nan 8.300 nan 0.000 0.563 211 G N 1.991 110.872 108.800 0.135 0.000 2.143 211 G HA2 -0.309 3.691 3.960 0.067 0.000 0.248 211 G HA3 -0.309 3.691 3.960 0.067 0.000 0.248 211 G C 0.040 174.986 174.900 0.077 0.000 0.991 211 G CA 0.459 45.606 45.100 0.079 0.000 0.689 211 G HN 0.498 nan 8.290 nan 0.000 0.522 212 I N -3.854 116.777 120.570 0.102 0.000 2.969 212 I HA 0.776 4.986 4.170 0.067 0.000 0.307 212 I C -2.712 173.443 176.117 0.064 0.000 1.149 212 I CA -3.451 57.890 61.300 0.068 0.000 1.008 212 I CB 1.941 39.973 38.000 0.053 0.000 1.232 212 I HN -0.166 nan 8.210 nan 0.000 0.435 213 P HA 0.181 nan 4.420 nan 0.000 0.266 213 P C -0.868 176.445 177.300 0.022 0.000 1.195 213 P CA -0.033 63.078 63.100 0.018 0.000 0.768 213 P CB 0.794 32.490 31.700 -0.006 0.000 0.838 214 V N 4.351 124.280 119.914 0.025 0.000 2.735 214 V HA 0.633 4.793 4.120 0.067 0.000 0.310 214 V C 0.273 176.365 176.094 -0.003 0.000 1.061 214 V CA -0.548 61.768 62.300 0.028 0.000 0.913 214 V CB 1.542 33.411 31.823 0.077 0.000 1.005 214 V HN 0.435 nan 8.190 nan 0.000 0.428 215 L N 2.227 123.438 121.223 -0.019 0.000 2.491 215 L HA 1.055 5.435 4.340 0.067 0.000 0.254 215 L C -0.439 176.412 176.870 -0.032 0.000 1.048 215 L CA -0.492 54.328 54.840 -0.033 0.000 0.855 215 L CB 2.361 44.383 42.059 -0.063 0.000 1.466 215 L HN 0.667 nan 8.230 nan 0.000 0.409 216 S N -0.500 115.181 115.700 -0.031 0.000 2.704 216 S HA 0.786 5.296 4.470 0.067 0.000 0.296 216 S C 0.747 175.327 174.600 -0.034 0.000 1.138 216 S CA -0.244 57.936 58.200 -0.034 0.000 0.875 216 S CB 1.465 64.647 63.200 -0.029 0.000 1.151 216 S HN 1.136 nan 8.310 nan 0.000 0.500 217 A N 0.734 123.534 122.820 -0.032 0.000 1.940 217 A HA 0.161 4.521 4.320 0.067 0.000 0.219 217 A C 2.281 179.855 177.584 -0.016 0.000 1.176 217 A CA 2.085 54.108 52.037 -0.025 0.000 0.631 217 A CB -1.679 17.310 19.000 -0.019 0.000 0.814 217 A HN 1.378 nan 8.150 nan 0.000 0.446 218 A N -0.257 122.549 122.820 -0.023 0.000 1.858 218 A HA -0.121 4.239 4.320 0.067 0.000 0.216 218 A C 2.500 180.080 177.584 -0.007 0.000 1.190 218 A CA 2.683 54.706 52.037 -0.024 0.000 0.617 218 A CB -1.482 17.493 19.000 -0.041 0.000 0.827 218 A HN 0.836 nan 8.150 nan 0.000 0.443 219 T N -2.245 112.307 114.554 -0.004 0.000 2.867 219 T HA 0.098 4.488 4.350 0.067 0.000 0.268 219 T C 1.885 176.617 174.700 0.053 0.000 1.057 219 T CA 1.666 63.777 62.100 0.018 0.000 1.136 219 T CB -0.507 68.366 68.868 0.009 0.000 0.874 219 T HN 0.561 nan 8.240 nan 0.000 0.466 220 A N 1.713 124.551 122.820 0.030 0.000 1.898 220 A HA 0.293 4.653 4.320 0.067 0.000 0.216 220 A C 2.732 180.386 177.584 0.116 0.000 1.181 220 A CA 1.546 53.615 52.037 0.054 0.000 0.620 220 A CB -1.598 17.399 19.000 -0.005 0.000 0.819 220 A HN 0.615 nan 8.150 nan 0.000 0.442 221 G N -0.329 108.511 108.800 0.067 0.000 2.446 221 G HA2 -0.032 3.968 3.960 0.067 0.000 0.217 221 G HA3 -0.032 3.968 3.960 0.067 0.000 0.217 221 G C 1.762 176.704 174.900 0.071 0.000 1.168 221 G CA 1.549 46.687 45.100 0.065 0.000 0.771 221 G HN 0.792 nan 8.290 nan 0.000 0.551 222 A N 0.013 122.868 122.820 0.059 0.000 1.902 222 A HA -0.065 4.295 4.320 0.067 0.000 0.217 222 A C 2.197 179.825 177.584 0.074 0.000 1.181 222 A CA 1.785 53.844 52.037 0.036 0.000 0.623 222 A CB -0.765 18.247 19.000 0.020 0.000 0.818 222 A HN 0.503 nan 8.150 nan 0.000 0.443 223 Y N 0.717 121.026 120.300 0.015 0.000 2.097 223 Y HA -0.239 4.351 4.550 0.065 0.000 0.282 223 Y C 2.942 178.867 175.900 0.041 0.000 1.152 223 Y CA 2.140 60.260 58.100 0.033 0.000 1.136 223 Y CB -0.584 37.893 38.460 0.028 0.000 0.975 223 Y HN 0.312 nan 8.280 nan 0.000 0.498 224 S N -0.043 115.743 115.700 0.143 0.000 2.370 224 S HA -0.213 4.297 4.470 0.067 0.000 0.226 224 S C 2.052 176.644 174.600 -0.014 0.000 1.033 224 S CA 1.766 60.005 58.200 0.066 0.000 1.011 224 S CB -0.699 62.580 63.200 0.131 0.000 0.852 224 S HN 0.529 nan 8.310 nan 0.000 0.457 225 I N 0.970 121.543 120.570 0.006 0.000 2.127 225 I HA -0.186 4.024 4.170 0.067 0.000 0.241 225 I C 2.165 178.275 176.117 -0.012 0.000 1.075 225 I CA 0.848 62.150 61.300 0.003 0.000 1.334 225 I CB -0.297 37.699 38.000 -0.008 0.000 1.040 225 I HN 0.305 nan 8.210 nan 0.000 0.405 226 L N 0.328 121.526 121.223 -0.043 0.000 2.042 226 L HA -0.207 4.173 4.340 0.067 0.000 0.210 226 L C 2.584 179.407 176.870 -0.078 0.000 1.076 226 L CA 1.780 56.605 54.840 -0.024 0.000 0.749 226 L CB -1.179 40.872 42.059 -0.013 0.000 0.893 226 L HN 0.196 nan 8.230 nan 0.000 0.432 227 R N -0.657 119.723 120.500 -0.199 0.000 2.092 227 R HA -0.060 4.320 4.340 0.067 0.000 0.231 227 R C 2.345 178.606 176.300 -0.065 0.000 1.119 227 R CA 1.370 57.364 56.100 -0.176 0.000 0.970 227 R CB -0.901 29.234 30.300 -0.276 0.000 0.864 227 R HN 0.593 nan 8.270 nan 0.000 0.440 228 S N 0.269 115.947 115.700 -0.037 0.000 2.447 228 S HA -0.023 4.487 4.470 0.067 0.000 0.233 228 S C 1.774 176.378 174.600 0.007 0.000 1.006 228 S CA 0.718 58.919 58.200 0.001 0.000 0.957 228 S CB -0.154 63.058 63.200 0.020 0.000 0.773 228 S HN 0.255 nan 8.310 nan 0.000 0.507 229 L N 1.109 122.336 121.223 0.007 0.000 2.769 229 L HA 0.247 4.627 4.340 0.067 0.000 0.240 229 L C -0.465 176.406 176.870 0.001 0.000 1.163 229 L CA -0.126 54.722 54.840 0.013 0.000 0.962 229 L CB -0.318 41.765 42.059 0.040 0.000 1.258 229 L HN 0.143 nan 8.230 nan 0.000 0.513 230 D N 1.409 121.807 120.400 -0.002 0.000 2.697 230 D HA -0.189 4.491 4.640 0.067 0.000 0.235 230 D C -0.444 175.862 176.300 0.009 0.000 1.167 230 D CA 0.727 54.727 54.000 0.000 0.000 0.656 230 D CB -0.562 40.239 40.800 0.001 0.000 1.025 230 D HN 0.053 nan 8.370 nan 0.000 0.419 231 L N 0.311 121.547 121.223 0.021 0.000 2.346 231 L HA 0.484 4.864 4.340 0.067 0.000 0.274 231 L C -2.121 174.822 176.870 0.122 0.000 1.007 231 L CA -2.019 52.857 54.840 0.060 0.000 0.818 231 L CB 1.518 43.601 42.059 0.040 0.000 1.284 231 L HN -0.263 nan 8.230 nan 0.000 0.424 232 P HA 0.038 nan 4.420 nan 0.000 0.264 232 P C -0.775 176.642 177.300 0.196 0.000 1.193 232 P CA -0.139 63.056 63.100 0.158 0.000 0.763 232 P CB 0.438 32.217 31.700 0.132 0.000 0.810 233 V N 1.745 121.714 119.914 0.091 0.000 2.313 233 V HA 0.612 4.772 4.120 0.067 0.000 0.252 233 V C 0.200 176.316 176.094 0.037 0.000 1.112 233 V CA -0.046 62.306 62.300 0.087 0.000 0.984 233 V CB -0.589 31.281 31.823 0.078 0.000 1.157 233 V HN 0.593 nan 8.190 nan 0.000 0.493 234 A N 5.508 128.286 122.820 -0.070 0.000 3.308 234 A HA 0.665 5.025 4.320 0.067 0.000 0.275 234 A C -0.477 177.000 177.584 -0.179 0.000 0.950 234 A CA -0.254 51.703 52.037 -0.135 0.000 0.987 234 A CB 0.663 19.551 19.000 -0.186 0.000 1.146 234 A HN 0.907 nan 8.150 nan 0.000 0.488 235 V N 3.148 123.027 119.914 -0.060 0.000 2.334 235 V HA 0.401 4.561 4.120 0.067 0.000 0.281 235 V C -2.196 173.899 176.094 0.002 0.000 1.016 235 V CA -1.560 60.730 62.300 -0.016 0.000 0.832 235 V CB 1.550 33.404 31.823 0.052 0.000 0.999 235 V HN 0.595 nan 8.190 nan 0.000 0.439 236 P HA 0.319 nan 4.420 nan 0.000 0.276 236 P C 0.697 178.001 177.300 0.006 0.000 1.244 236 P CA 0.390 63.490 63.100 0.001 0.000 0.801 236 P CB 1.224 32.922 31.700 -0.003 0.000 1.006 237 G N 0.416 109.218 108.800 0.003 0.000 2.176 237 G HA2 -0.051 3.949 3.960 0.067 0.000 0.252 237 G HA3 -0.051 3.949 3.960 0.067 0.000 0.252 237 G C 0.423 175.323 174.900 -0.000 0.000 1.024 237 G CA 0.137 45.236 45.100 -0.001 0.000 0.755 237 G HN 0.869 nan 8.290 nan 0.000 0.507 238 A N -0.769 122.054 122.820 0.005 0.000 2.579 238 A HA 0.800 5.160 4.320 0.067 0.000 0.254 238 A C 1.420 179.009 177.584 0.010 0.000 0.873 238 A CA 1.292 53.333 52.037 0.006 0.000 1.106 238 A CB 0.004 19.010 19.000 0.011 0.000 1.222 238 A HN 2.491 nan 8.150 nan 0.000 0.470 239 G N 0.637 109.442 108.800 0.008 0.000 2.733 239 G HA2 -0.157 3.843 3.960 0.067 0.000 0.686 239 G HA3 -0.157 3.843 3.960 0.067 0.000 0.686 239 G C 0.497 175.405 174.900 0.012 0.000 1.373 239 G CA 0.057 45.162 45.100 0.008 0.000 0.838 239 G HN 1.386 nan 8.290 nan 0.000 0.588 240 R N 0.564 121.069 120.500 0.010 0.000 2.189 240 R HA 0.032 4.412 4.340 0.067 0.000 0.223 240 R C 2.490 178.802 176.300 0.019 0.000 1.092 240 R CA 1.743 57.852 56.100 0.015 0.000 0.989 240 R CB -0.230 30.077 30.300 0.012 0.000 0.876 240 R HN 0.879 nan 8.270 nan 0.000 0.457 241 L N 1.415 122.637 121.223 -0.003 0.000 2.013 241 L HA -0.117 4.263 4.340 0.067 0.000 0.212 241 L C 1.894 178.816 176.870 0.087 0.000 1.073 241 L CA 1.738 56.560 54.840 -0.030 0.000 0.753 241 L CB -0.282 41.712 42.059 -0.109 0.000 0.890 241 L HN 0.282 nan 8.230 nan 0.000 0.432 242 L N -0.795 120.487 121.223 0.098 0.000 2.610 242 L HA 0.025 4.405 4.340 0.067 0.000 0.232 242 L C 1.611 178.542 176.870 0.102 0.000 1.149 242 L CA 0.301 55.227 54.840 0.143 0.000 0.872 242 L CB -0.252 41.866 42.059 0.099 0.000 0.992 242 L HN 0.224 nan 8.230 nan 0.000 0.447 243 R N -1.011 119.536 120.500 0.077 0.000 2.577 243 R HA 0.108 4.488 4.340 0.067 0.000 0.344 243 R C 1.241 177.576 176.300 0.058 0.000 1.037 243 R CA -0.148 55.980 56.100 0.048 0.000 1.102 243 R CB 0.387 30.703 30.300 0.027 0.000 1.313 243 R HN 0.379 nan 8.270 nan 0.000 0.561 244 Q N 0.403 120.262 119.800 0.098 0.000 2.364 244 Q HA -0.129 4.251 4.340 0.067 0.000 0.209 244 Q C 0.272 176.317 176.000 0.075 0.000 0.977 244 Q CA 1.074 56.937 55.803 0.100 0.000 0.885 244 Q CB 0.266 29.104 28.738 0.166 0.000 0.941 244 Q HN 0.284 nan 8.270 nan 0.000 0.464 245 D N -0.709 119.728 120.400 0.061 0.000 2.469 245 D HA 0.133 4.813 4.640 0.067 0.000 0.213 245 D C 0.138 176.449 176.300 0.019 0.000 1.135 245 D CA 0.058 54.083 54.000 0.041 0.000 0.834 245 D CB 0.558 41.385 40.800 0.045 0.000 1.009 245 D HN -0.065 nan 8.370 nan 0.000 0.507 246 S N 0.000 115.707 115.700 0.011 0.000 2.498 246 S HA 0.000 4.510 4.470 0.067 0.000 0.327 246 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 246 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 246 S HN 0.000 nan 8.310 nan 0.000 0.517