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 3feq_1_N DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLXX DATA SEQUENCE XXSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.693 174.700 -0.012 0.000 1.109 2 T CA 0.000 62.094 62.100 -0.011 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 3 I N -0.285 120.277 120.570 -0.013 0.000 2.841 3 I HA 0.675 4.845 4.170 -0.000 0.000 0.298 3 I C -1.895 174.211 176.117 -0.017 0.000 1.304 3 I CA -0.212 61.080 61.300 -0.014 0.000 1.019 3 I CB 2.347 40.341 38.000 -0.011 0.000 1.282 3 I HN 0.974 nan 8.210 nan 0.000 0.432 4 T N 5.246 119.789 114.554 -0.018 0.000 2.933 4 T HA 0.592 4.942 4.350 -0.000 0.000 0.305 4 T C -1.489 173.199 174.700 -0.019 0.000 1.092 4 T CA -0.455 61.629 62.100 -0.026 0.000 1.008 4 T CB 2.069 70.914 68.868 -0.039 0.000 1.102 4 T HN 0.304 nan 8.240 nan 0.000 0.469 5 V N 4.221 124.123 119.914 -0.019 0.000 2.443 5 V HA 0.379 4.499 4.120 -0.000 0.000 0.293 5 V C -0.848 175.231 176.094 -0.025 0.000 1.021 5 V CA -0.988 61.313 62.300 0.003 0.000 0.848 5 V CB 1.500 33.350 31.823 0.045 0.000 0.998 5 V HN 0.645 nan 8.190 nan 0.000 0.424 6 L N 6.043 127.243 121.223 -0.039 0.000 2.315 6 L HA 0.393 4.733 4.340 -0.000 0.000 0.283 6 L C 0.465 177.288 176.870 -0.080 0.000 1.089 6 L CA 0.337 55.130 54.840 -0.079 0.000 0.833 6 L CB 0.495 42.502 42.059 -0.085 0.000 1.170 6 L HN 0.810 nan 8.230 nan 0.000 0.442 7 Q N 1.209 120.929 119.800 -0.135 0.000 2.316 7 Q HA 0.625 4.965 4.340 -0.000 0.000 0.264 7 Q C 0.641 176.396 176.000 -0.409 0.000 0.987 7 Q CA -0.390 55.216 55.803 -0.328 0.000 0.852 7 Q CB 1.823 30.496 28.738 -0.109 0.000 1.287 7 Q HN 0.780 nan 8.270 nan 0.000 0.448 8 G N 1.973 110.364 108.800 -0.683 0.000 2.155 8 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 8 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 8 G C 0.408 175.152 174.900 -0.260 0.000 0.983 8 G CA -0.175 44.731 45.100 -0.323 0.000 0.676 8 G HN 1.013 nan 8.290 nan 0.000 0.528 9 G N -0.499 108.180 108.800 -0.202 0.000 2.594 9 G HA2 0.445 4.405 3.960 -0.000 0.000 0.243 9 G HA3 0.445 4.405 3.960 -0.000 0.000 0.243 9 G C 0.027 174.858 174.900 -0.116 0.000 1.229 9 G CA -0.145 44.871 45.100 -0.139 0.000 0.843 9 G HN 0.536 nan 8.290 nan 0.000 0.578 10 N N 0.165 118.799 118.700 -0.109 0.000 2.801 10 N HA 0.303 5.043 4.740 -0.000 0.000 0.235 10 N C -0.415 175.052 175.510 -0.071 0.000 1.069 10 N CA -0.576 52.423 53.050 -0.085 0.000 0.946 10 N CB 1.897 40.328 38.487 -0.092 0.000 1.212 10 N HN 0.211 nan 8.380 nan 0.000 0.509 11 V N 2.618 122.488 119.914 -0.074 0.000 2.493 11 V HA -0.046 4.073 4.120 -0.000 0.000 0.292 11 V C 0.693 176.731 176.094 -0.094 0.000 1.016 11 V CA -0.149 62.103 62.300 -0.080 0.000 1.097 11 V CB 0.418 32.193 31.823 -0.080 0.000 0.947 11 V HN 0.632 nan 8.190 nan 0.000 0.479 12 L N 5.573 126.759 121.223 -0.062 0.000 2.369 12 L HA 0.308 4.648 4.340 -0.000 0.000 0.279 12 L C 0.251 177.094 176.870 -0.045 0.000 1.108 12 L CA 0.127 54.937 54.840 -0.050 0.000 0.852 12 L CB 0.588 42.629 42.059 -0.030 0.000 1.169 12 L HN 0.707 nan 8.230 nan 0.000 0.452 13 D N 4.799 125.169 120.400 -0.050 0.000 2.303 13 D HA 0.176 4.816 4.640 -0.000 0.000 0.236 13 D C 0.518 176.808 176.300 -0.016 0.000 1.068 13 D CA -0.408 53.571 54.000 -0.035 0.000 0.830 13 D CB 1.874 42.644 40.800 -0.050 0.000 1.109 13 D HN 0.507 nan 8.370 nan 0.000 0.496 14 L N 3.240 124.462 121.223 -0.001 0.000 2.354 14 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 14 L C 2.397 179.276 176.870 0.016 0.000 1.091 14 L CA 0.323 55.169 54.840 0.011 0.000 0.828 14 L CB 0.068 42.142 42.059 0.025 0.000 0.973 14 L HN 0.485 nan 8.230 nan 0.000 0.461 15 E N 0.316 120.524 120.200 0.014 0.000 2.285 15 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 15 E C 1.827 178.434 176.600 0.011 0.000 0.997 15 E CA 0.823 57.233 56.400 0.016 0.000 0.845 15 E CB 0.021 29.730 29.700 0.016 0.000 0.782 15 E HN 0.430 nan 8.360 nan 0.000 0.491 16 R N 0.070 120.573 120.500 0.004 0.000 2.146 16 R HA 0.190 4.530 4.340 -0.000 0.000 0.206 16 R C 1.062 177.363 176.300 0.001 0.000 1.049 16 R CA 0.799 56.901 56.100 0.002 0.000 1.029 16 R CB 0.371 30.669 30.300 -0.005 0.000 0.949 16 R HN 0.277 nan 8.270 nan 0.000 0.471 17 G N 0.901 109.700 108.800 -0.002 0.000 2.303 17 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.260 17 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.260 17 G C -0.326 174.569 174.900 -0.009 0.000 1.106 17 G CA 0.053 45.151 45.100 -0.002 0.000 0.900 17 G HN 0.257 nan 8.290 nan 0.000 0.495 18 V N -2.648 117.254 119.914 -0.019 0.000 3.049 18 V HA 0.789 4.909 4.120 -0.000 0.000 0.309 18 V C 0.690 176.757 176.094 -0.044 0.000 1.148 18 V CA -1.714 60.570 62.300 -0.026 0.000 0.990 18 V CB 1.985 33.795 31.823 -0.023 0.000 1.039 18 V HN 0.335 nan 8.190 nan 0.000 0.430 19 L N 2.627 123.824 121.223 -0.043 0.000 2.439 19 L HA 0.418 4.758 4.340 -0.000 0.000 0.269 19 L C -0.482 176.336 176.870 -0.086 0.000 1.179 19 L CA -0.245 54.559 54.840 -0.061 0.000 0.828 19 L CB 0.795 42.827 42.059 -0.045 0.000 1.106 19 L HN 0.538 nan 8.230 nan 0.000 0.467 20 L N 3.734 124.865 121.223 -0.152 0.000 2.337 20 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 20 L C 0.057 176.886 176.870 -0.068 0.000 1.018 20 L CA -0.740 53.940 54.840 -0.267 0.000 0.876 20 L CB 1.006 42.596 42.059 -0.781 0.000 1.236 20 L HN 0.610 nan 8.230 nan 0.000 0.436 21 E N 2.963 123.218 120.200 0.093 0.000 2.398 21 E HA 0.012 4.362 4.350 -0.000 0.000 0.263 21 E C 0.163 176.936 176.600 0.289 0.000 1.046 21 E CA -0.372 56.094 56.400 0.110 0.000 0.908 21 E CB 0.387 30.156 29.700 0.116 0.000 0.963 21 E HN 0.535 nan 8.360 nan 0.000 0.431 22 H N -0.040 119.095 119.070 0.110 0.000 2.822 22 H HA -0.164 4.392 4.556 -0.000 0.000 0.295 22 H C -0.648 174.723 175.328 0.072 0.000 1.151 22 H CA 1.124 57.200 56.048 0.047 0.000 1.151 22 H CB -1.943 27.839 29.762 0.033 0.000 1.343 22 H HN 0.539 nan 8.280 nan 0.000 0.382 23 H N 0.775 119.879 119.070 0.057 0.000 2.690 23 H HA 0.207 4.763 4.556 -0.000 0.000 0.314 23 H C 0.975 176.324 175.328 0.036 0.000 1.069 23 H CA -0.042 56.061 56.048 0.091 0.000 1.436 23 H CB 0.507 30.300 29.762 0.052 0.000 1.462 23 H HN 0.300 nan 8.280 nan 0.000 0.511 24 H N 1.375 120.483 119.070 0.063 0.000 2.607 24 H HA 0.305 4.860 4.556 -0.000 0.000 0.367 24 H C -0.203 175.150 175.328 0.043 0.000 1.181 24 H CA -0.393 55.676 56.048 0.035 0.000 1.402 24 H CB 1.846 31.611 29.762 0.005 0.000 1.474 24 H HN 0.303 nan 8.280 nan 0.000 0.596 25 V N 2.693 122.682 119.914 0.124 0.000 2.577 25 V HA 0.290 4.410 4.120 -0.000 0.000 0.303 25 V C -1.023 175.099 176.094 0.048 0.000 1.042 25 V CA -0.607 61.736 62.300 0.073 0.000 0.872 25 V CB 1.480 33.325 31.823 0.035 0.000 0.998 25 V HN 0.441 nan 8.190 nan 0.000 0.423 26 V N 7.815 127.752 119.914 0.038 0.000 2.398 26 V HA 0.567 4.687 4.120 -0.000 0.000 0.286 26 V C -0.216 175.881 176.094 0.006 0.000 1.026 26 V CA -0.597 61.716 62.300 0.020 0.000 0.868 26 V CB 1.416 33.249 31.823 0.016 0.000 0.982 26 V HN 0.708 nan 8.190 nan 0.000 0.443 27 I N 3.628 124.196 120.570 -0.004 0.000 2.339 27 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 27 I C -0.430 175.681 176.117 -0.010 0.000 0.994 27 I CA -0.346 60.948 61.300 -0.010 0.000 1.191 27 I CB 1.369 39.357 38.000 -0.020 0.000 1.343 27 I HN 0.631 nan 8.210 nan 0.000 0.458 28 D N 3.867 124.262 120.400 -0.007 0.000 2.375 28 D HA 0.601 5.241 4.640 -0.000 0.000 0.247 28 D C 0.837 177.132 176.300 -0.008 0.000 1.061 28 D CA 0.665 54.660 54.000 -0.008 0.000 0.834 28 D CB 1.898 42.695 40.800 -0.005 0.000 1.247 28 D HN 0.795 nan 8.370 nan 0.000 0.489 29 G N 3.900 112.694 108.800 -0.009 0.000 2.686 29 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.329 29 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.329 29 G C 0.718 175.611 174.900 -0.011 0.000 1.187 29 G CA 0.750 45.844 45.100 -0.010 0.000 0.965 29 G HN 0.600 nan 8.290 nan 0.000 0.549 30 E N 0.820 121.015 120.200 -0.009 0.000 2.601 30 E HA 0.220 4.570 4.350 -0.000 0.000 0.219 30 E C 0.854 177.451 176.600 -0.006 0.000 0.964 30 E CA -0.210 56.184 56.400 -0.009 0.000 1.050 30 E CB 0.828 30.523 29.700 -0.008 0.000 1.068 30 E HN 0.406 nan 8.360 nan 0.000 0.496 31 R N 0.786 121.284 120.500 -0.004 0.000 2.803 31 R HA 0.508 4.848 4.340 -0.000 0.000 0.276 31 R C -0.334 175.966 176.300 -0.001 0.000 0.978 31 R CA -0.860 55.240 56.100 -0.000 0.000 0.939 31 R CB 2.023 32.325 30.300 0.003 0.000 1.179 31 R HN -0.056 nan 8.270 nan 0.000 0.472 32 I N 2.307 122.877 120.570 0.001 0.000 2.396 32 I HA 0.011 4.181 4.170 -0.000 0.000 0.289 32 I C 1.220 177.341 176.117 0.007 0.000 1.056 32 I CA -0.124 61.178 61.300 0.004 0.000 1.365 32 I CB 1.317 39.320 38.000 0.005 0.000 1.407 32 I HN 0.434 nan 8.210 nan 0.000 0.509 33 V N 4.101 124.020 119.914 0.008 0.000 2.949 33 V HA 0.162 4.282 4.120 -0.000 0.000 0.245 33 V C 0.649 176.751 176.094 0.012 0.000 1.086 33 V CA 0.690 62.994 62.300 0.008 0.000 1.097 33 V CB -0.349 31.476 31.823 0.004 0.000 0.762 33 V HN 0.718 nan 8.190 nan 0.000 0.470 34 E N -0.377 119.834 120.200 0.018 0.000 2.321 34 E HA 0.546 4.896 4.350 -0.000 0.000 0.278 34 E C -1.931 174.697 176.600 0.046 0.000 0.902 34 E CA -0.311 56.105 56.400 0.026 0.000 0.758 34 E CB 3.157 32.867 29.700 0.016 0.000 1.213 34 E HN 0.034 nan 8.360 nan 0.000 0.426 35 V N 2.657 122.609 119.914 0.063 0.000 2.349 35 V HA 0.516 4.636 4.120 -0.000 0.000 0.284 35 V C -0.281 175.903 176.094 0.151 0.000 1.014 35 V CA -0.434 61.931 62.300 0.107 0.000 0.826 35 V CB 1.447 33.328 31.823 0.096 0.000 1.009 35 V HN 0.662 nan 8.190 nan 0.000 0.431 36 T N 1.815 116.454 114.554 0.142 0.000 2.894 36 T HA 0.365 4.715 4.350 -0.000 0.000 0.309 36 T C -0.431 174.210 174.700 -0.098 0.000 1.208 36 T CA -0.412 61.709 62.100 0.034 0.000 1.016 36 T CB 1.870 70.730 68.868 -0.014 0.000 1.192 36 T HN 0.794 nan 8.240 nan 0.000 0.491 37 D N 1.880 122.063 120.400 -0.361 0.000 2.395 37 D HA 0.128 4.768 4.640 -0.000 0.000 0.226 37 D C 0.464 176.683 176.300 -0.135 0.000 1.146 37 D CA -0.473 53.343 54.000 -0.308 0.000 0.830 37 D CB 0.076 40.541 40.800 -0.558 0.000 0.958 37 D HN 0.051 nan 8.370 nan 0.000 0.501 38 R N 2.031 122.440 120.500 -0.151 0.000 2.590 38 R HA 0.223 4.563 4.340 -0.000 0.000 0.274 38 R C -2.174 173.949 176.300 -0.295 0.000 1.061 38 R CA -2.202 53.795 56.100 -0.172 0.000 1.081 38 R CB -0.540 29.667 30.300 -0.155 0.000 0.984 38 R HN 0.146 nan 8.270 nan 0.000 0.448 39 P HA -0.055 nan 4.420 nan 0.000 0.258 39 P C -0.193 176.948 177.300 -0.265 0.000 1.187 39 P CA 0.257 63.220 63.100 -0.229 0.000 0.767 39 P CB 0.521 32.158 31.700 -0.107 0.000 0.770 40 V N 3.427 123.117 119.914 -0.373 0.000 2.630 40 V HA 0.182 4.301 4.120 -0.000 0.000 0.305 40 V C 0.294 176.309 176.094 -0.132 0.000 1.046 40 V CA -0.431 61.713 62.300 -0.260 0.000 0.934 40 V CB 1.770 33.403 31.823 -0.317 0.000 1.003 40 V HN 0.350 nan 8.190 nan 0.000 0.451 41 D N 4.268 124.615 120.400 -0.087 0.000 2.631 41 D HA 0.251 4.891 4.640 -0.000 0.000 0.227 41 D C -0.071 176.207 176.300 -0.037 0.000 1.146 41 D CA -0.200 53.767 54.000 -0.055 0.000 1.009 41 D CB -0.261 40.511 40.800 -0.046 0.000 1.057 41 D HN 0.459 nan 8.370 nan 0.000 0.509 42 L N 0.960 122.165 121.223 -0.030 0.000 2.268 42 L HA 0.585 4.925 4.340 -0.000 0.000 0.289 42 L C -1.702 175.160 176.870 -0.013 0.000 1.064 42 L CA -1.069 53.761 54.840 -0.016 0.000 0.824 42 L CB 0.820 42.877 42.059 -0.004 0.000 1.202 42 L HN -0.006 nan 8.230 nan 0.000 0.433 43 P HA 0.143 nan 4.420 nan 0.000 0.210 43 P C 0.317 177.612 177.300 -0.009 0.000 1.173 43 P CA 0.626 63.720 63.100 -0.011 0.000 0.898 43 P CB 0.315 32.008 31.700 -0.011 0.000 0.758 44 N N -0.689 118.005 118.700 -0.009 0.000 2.328 44 N HA 0.382 5.122 4.740 -0.000 0.000 0.247 44 N C -0.430 175.074 175.510 -0.010 0.000 1.165 44 N CA -0.232 52.813 53.050 -0.009 0.000 0.873 44 N CB 0.262 38.744 38.487 -0.009 0.000 1.125 44 N HN 0.156 nan 8.380 nan 0.000 0.513 45 A N 0.420 123.234 122.820 -0.010 0.000 2.401 45 A HA 0.252 4.572 4.320 -0.000 0.000 0.259 45 A C 0.216 177.791 177.584 -0.015 0.000 1.103 45 A CA -0.244 51.786 52.037 -0.011 0.000 0.789 45 A CB 0.343 19.339 19.000 -0.007 0.000 1.035 45 A HN 0.224 nan 8.150 nan 0.000 0.491 46 Q N 1.237 121.024 119.800 -0.022 0.000 2.301 46 Q HA 0.381 4.721 4.340 -0.000 0.000 0.262 46 Q C 0.195 176.172 176.000 -0.038 0.000 1.168 46 Q CA 0.624 56.408 55.803 -0.031 0.000 0.908 46 Q CB 0.372 29.087 28.738 -0.040 0.000 1.348 46 Q HN 0.778 nan 8.270 nan 0.000 0.441 47 A N 4.680 127.481 122.820 -0.031 0.000 2.354 47 A HA 0.474 4.794 4.320 -0.000 0.000 0.281 47 A C -0.500 177.044 177.584 -0.068 0.000 1.174 47 A CA -0.366 51.651 52.037 -0.033 0.000 0.828 47 A CB 0.129 19.124 19.000 -0.009 0.000 1.099 47 A HN 0.771 nan 8.150 nan 0.000 0.516 48 I N 2.265 122.769 120.570 -0.109 0.000 2.382 48 I HA 0.171 4.341 4.170 -0.000 0.000 0.286 48 I C -0.484 175.539 176.117 -0.157 0.000 1.002 48 I CA -0.401 60.789 61.300 -0.184 0.000 1.135 48 I CB 1.902 39.694 38.000 -0.346 0.000 1.288 48 I HN 0.654 nan 8.210 nan 0.000 0.448 49 D N 5.666 126.004 120.400 -0.104 0.000 2.338 49 D HA 0.233 4.873 4.640 -0.000 0.000 0.255 49 D C -0.106 176.162 176.300 -0.052 0.000 1.237 49 D CA 0.104 54.067 54.000 -0.061 0.000 0.883 49 D CB 0.881 41.670 40.800 -0.018 0.000 1.087 49 D HN 0.231 nan 8.370 nan 0.000 0.485 50 V N 5.326 125.194 119.914 -0.076 0.000 2.802 50 V HA 0.154 4.274 4.120 -0.000 0.000 0.350 50 V C 0.425 176.474 176.094 -0.075 0.000 1.233 50 V CA -0.796 61.471 62.300 -0.055 0.000 1.337 50 V CB -0.599 31.177 31.823 -0.078 0.000 1.497 50 V HN 0.504 nan 8.190 nan 0.000 0.616 51 R N 1.802 122.269 120.500 -0.055 0.000 2.442 51 R HA 0.292 4.632 4.340 -0.000 0.000 0.291 51 R C 0.846 177.100 176.300 -0.075 0.000 1.069 51 R CA 0.846 56.904 56.100 -0.071 0.000 1.022 51 R CB 0.284 30.578 30.300 -0.010 0.000 0.976 51 R HN 0.756 nan 8.270 nan 0.000 0.443 52 G N 2.834 111.547 108.800 -0.144 0.000 2.321 52 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.287 52 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.287 52 G C -0.478 174.379 174.900 -0.071 0.000 1.018 52 G CA 1.003 46.037 45.100 -0.109 0.000 0.855 52 G HN 0.677 nan 8.290 nan 0.000 0.507 53 K N -0.049 120.307 120.400 -0.074 0.000 2.427 53 K HA 0.454 4.774 4.320 -0.000 0.000 0.252 53 K C 0.057 176.626 176.600 -0.051 0.000 0.931 53 K CA -0.663 55.599 56.287 -0.043 0.000 0.793 53 K CB 1.496 33.990 32.500 -0.009 0.000 1.211 53 K HN 0.062 nan 8.250 nan 0.000 0.426 54 T N 1.621 116.149 114.554 -0.042 0.000 2.853 54 T HA 0.047 4.397 4.350 -0.000 0.000 0.298 54 T C -0.353 174.325 174.700 -0.036 0.000 0.978 54 T CA -0.281 61.793 62.100 -0.043 0.000 1.152 54 T CB 0.593 69.438 68.868 -0.039 0.000 0.914 54 T HN 0.284 nan 8.240 nan 0.000 0.539 55 V N 7.070 126.958 119.914 -0.043 0.000 2.384 55 V HA 0.759 4.879 4.120 -0.000 0.000 0.287 55 V C -0.432 175.635 176.094 -0.045 0.000 1.020 55 V CA -0.832 61.442 62.300 -0.044 0.000 0.850 55 V CB 0.628 32.424 31.823 -0.045 0.000 0.987 55 V HN 0.945 nan 8.190 nan 0.000 0.436 56 M N 6.197 125.765 119.600 -0.053 0.000 2.719 56 M HA 0.827 5.307 4.480 -0.000 0.000 0.291 56 M C -2.949 173.306 176.300 -0.075 0.000 1.264 56 M CA -2.310 52.966 55.300 -0.040 0.000 0.811 56 M CB 2.075 34.678 32.600 0.005 0.000 1.756 56 M HN 0.254 nan 8.290 nan 0.000 0.464 57 P HA 0.180 nan 4.420 nan 0.000 0.271 57 P C 0.029 177.223 177.300 -0.176 0.000 1.220 57 P CA 0.210 63.271 63.100 -0.066 0.000 0.768 57 P CB 0.260 31.960 31.700 -0.001 0.000 0.848 58 G N 3.278 111.924 108.800 -0.255 0.000 2.287 58 G HA2 0.088 4.048 3.960 -0.000 0.000 0.235 58 G HA3 0.088 4.048 3.960 -0.000 0.000 0.235 58 G C -0.368 174.359 174.900 -0.288 0.000 1.258 58 G CA -0.243 44.599 45.100 -0.431 0.000 0.884 58 G HN 0.230 nan 8.290 nan 0.000 0.518 59 F N 0.457 120.299 119.950 -0.179 0.000 2.403 59 F HA 0.505 5.032 4.527 -0.000 0.000 0.320 59 F C 0.918 176.719 175.800 0.001 0.000 1.176 59 F CA -0.992 56.879 58.000 -0.215 0.000 1.206 59 F CB 0.598 39.193 39.000 -0.675 0.000 1.235 59 F HN 0.191 nan 8.300 nan 0.000 0.565 60 I N 1.168 121.914 120.570 0.293 0.000 2.447 60 I HA 0.188 4.358 4.170 -0.000 0.000 0.287 60 I C -0.960 175.377 176.117 0.366 0.000 1.023 60 I CA -0.684 60.796 61.300 0.301 0.000 1.083 60 I CB 1.636 39.738 38.000 0.171 0.000 1.245 60 I HN 0.402 nan 8.210 nan 0.000 0.434 61 D N 5.891 126.530 120.400 0.397 0.000 2.317 61 D HA 0.243 4.883 4.640 -0.000 0.000 0.234 61 D C 0.202 176.619 176.300 0.195 0.000 1.112 61 D CA -0.487 53.702 54.000 0.316 0.000 0.840 61 D CB 1.367 42.217 40.800 0.083 0.000 1.078 61 D HN 0.600 nan 8.370 nan 0.000 0.486 62 C N 3.396 122.805 119.300 0.183 0.000 2.480 62 C HA 0.316 4.776 4.460 -0.000 0.000 0.317 62 C C 0.768 175.815 174.990 0.094 0.000 1.300 62 C CA -0.723 58.350 59.018 0.091 0.000 1.706 62 C CB -2.057 25.705 27.740 0.036 0.000 1.840 62 C HN 0.629 nan 8.230 nan 0.000 0.596 63 H N 0.589 119.650 119.070 -0.015 0.000 2.941 63 H HA 0.482 5.038 4.556 -0.000 0.000 0.291 63 H C -0.793 174.496 175.328 -0.066 0.000 1.361 63 H CA -0.212 55.794 56.048 -0.069 0.000 1.606 63 H CB 0.530 30.234 29.762 -0.096 0.000 1.848 63 H HN 0.211 nan 8.280 nan 0.000 0.601 64 V N 0.562 120.460 119.914 -0.026 0.000 3.074 64 V HA 0.552 4.672 4.120 -0.000 0.000 0.314 64 V C -0.493 175.474 176.094 -0.212 0.000 1.117 64 V CA -0.815 61.496 62.300 0.018 0.000 1.014 64 V CB 2.447 34.257 31.823 -0.021 0.000 1.057 64 V HN 0.696 nan 8.190 nan 0.000 0.438 65 H N 1.333 120.487 119.070 0.140 0.000 2.541 65 H HA 0.358 4.914 4.556 -0.000 0.000 0.246 65 H C 0.837 176.234 175.328 0.116 0.000 1.341 65 H CA -0.226 55.883 56.048 0.103 0.000 1.469 65 H CB 1.741 31.572 29.762 0.115 0.000 1.472 65 H HN 0.552 nan 8.280 nan 0.000 0.503 66 V N 1.954 121.919 119.914 0.085 0.000 2.363 66 V HA -0.321 3.799 4.120 -0.000 0.000 0.254 66 V C 2.161 178.306 176.094 0.084 0.000 1.074 66 V CA 1.889 64.205 62.300 0.027 0.000 1.069 66 V CB -0.250 31.555 31.823 -0.029 0.000 0.659 66 V HN 0.537 nan 8.190 nan 0.000 0.455 67 L N -0.256 121.026 121.223 0.098 0.000 2.558 67 L HA 0.264 4.604 4.340 -0.000 0.000 0.225 67 L C 1.538 178.455 176.870 0.078 0.000 1.128 67 L CA 0.406 55.291 54.840 0.074 0.000 0.868 67 L CB -0.311 41.778 42.059 0.051 0.000 1.006 67 L HN 0.240 nan 8.230 nan 0.000 0.454 68 A N 0.095 122.990 122.820 0.124 0.000 2.899 68 A HA 0.156 4.476 4.320 -0.000 0.000 0.287 68 A C 1.433 179.023 177.584 0.010 0.000 1.715 68 A CA 0.471 52.531 52.037 0.039 0.000 1.393 68 A CB -0.435 18.577 19.000 0.020 0.000 1.070 68 A HN 0.390 nan 8.150 nan 0.000 0.587 69 S N 0.939 116.633 115.700 -0.009 0.000 2.548 69 S HA 0.086 4.556 4.470 -0.000 0.000 0.215 69 S C 0.349 174.896 174.600 -0.089 0.000 0.976 69 S CA 0.102 58.287 58.200 -0.025 0.000 0.908 69 S CB -0.526 62.670 63.200 -0.006 0.000 0.781 69 S HN 0.931 nan 8.310 nan 0.000 0.519 70 N N -1.179 117.458 118.700 -0.106 0.000 2.416 70 N HA 0.654 5.394 4.740 -0.000 0.000 0.276 70 N C 0.245 175.676 175.510 -0.131 0.000 1.261 70 N CA -0.427 52.547 53.050 -0.127 0.000 0.790 70 N CB 1.046 39.475 38.487 -0.097 0.000 1.554 70 N HN -0.068 nan 8.380 nan 0.000 0.481 71 A N 0.519 123.274 122.820 -0.108 0.000 2.168 71 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 71 A C 0.715 178.245 177.584 -0.090 0.000 1.152 71 A CA 0.537 52.526 52.037 -0.081 0.000 0.716 71 A CB -0.684 18.319 19.000 0.006 0.000 0.794 71 A HN 0.699 nan 8.150 nan 0.000 0.465 72 N N 0.958 119.598 118.700 -0.100 0.000 2.469 72 N HA 0.282 5.022 4.740 -0.000 0.000 0.239 72 N C 0.554 175.911 175.510 -0.255 0.000 1.053 72 N CA -0.114 52.851 53.050 -0.142 0.000 0.937 72 N CB 0.513 38.945 38.487 -0.092 0.000 1.163 72 N HN 0.323 nan 8.380 nan 0.000 0.509 73 L N 2.077 123.051 121.223 -0.415 0.000 2.291 73 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 73 L C 2.241 178.579 176.870 -0.887 0.000 1.120 73 L CA 0.750 55.190 54.840 -0.668 0.000 0.799 73 L CB -0.255 41.271 42.059 -0.889 0.000 0.925 73 L HN 0.537 nan 8.230 nan 0.000 0.446 74 G N -0.204 108.138 108.800 -0.763 0.000 2.480 74 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 74 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 74 G C 1.572 176.347 174.900 -0.208 0.000 1.200 74 G CA 1.008 45.877 45.100 -0.385 0.000 0.782 74 G HN 0.186 nan 8.290 nan 0.000 0.554 75 V N 0.937 120.753 119.914 -0.164 0.000 2.809 75 V HA -0.067 4.053 4.120 -0.000 0.000 0.256 75 V C 2.448 178.481 176.094 -0.101 0.000 1.080 75 V CA 1.996 64.238 62.300 -0.098 0.000 1.102 75 V CB -0.356 31.427 31.823 -0.067 0.000 0.705 75 V HN 0.468 nan 8.190 nan 0.000 0.475 76 N N 0.408 119.018 118.700 -0.150 0.000 2.188 76 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 76 N C 1.729 177.187 175.510 -0.086 0.000 1.018 76 N CA 1.501 54.479 53.050 -0.120 0.000 0.858 76 N CB -0.243 38.151 38.487 -0.154 0.000 0.989 76 N HN 0.473 nan 8.380 nan 0.000 0.426 77 A N -0.816 121.939 122.820 -0.108 0.000 2.014 77 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 77 A C 1.998 179.581 177.584 -0.002 0.000 1.163 77 A CA 1.732 53.749 52.037 -0.034 0.000 0.652 77 A CB -0.824 18.172 19.000 -0.008 0.000 0.808 77 A HN 0.512 nan 8.150 nan 0.000 0.449 78 T N -1.227 113.316 114.554 -0.018 0.000 3.086 78 T HA 0.161 4.511 4.350 -0.000 0.000 0.250 78 T C 0.741 175.439 174.700 -0.004 0.000 1.074 78 T CA 0.129 62.228 62.100 -0.001 0.000 0.988 78 T CB -0.449 68.417 68.868 -0.003 0.000 0.988 78 T HN 0.693 nan 8.240 nan 0.000 0.530 79 Q N 1.494 121.287 119.800 -0.011 0.000 2.340 79 Q HA 0.410 4.750 4.340 -0.000 0.000 0.249 79 Q C -2.760 173.242 176.000 0.002 0.000 0.957 79 Q CA -2.161 53.637 55.803 -0.009 0.000 0.882 79 Q CB 0.044 28.772 28.738 -0.017 0.000 1.235 79 Q HN 0.062 nan 8.270 nan 0.000 0.439 80 P HA -0.020 nan 4.420 nan 0.000 0.267 80 P C -0.170 177.136 177.300 0.011 0.000 1.200 80 P CA -0.129 62.976 63.100 0.007 0.000 0.772 80 P CB 0.554 32.256 31.700 0.004 0.000 0.855 81 N N 2.374 121.084 118.700 0.017 0.000 2.007 81 N HA -0.169 4.570 4.740 -0.000 0.000 0.197 81 N C 1.579 177.099 175.510 0.017 0.000 1.050 81 N CA 1.097 54.161 53.050 0.023 0.000 0.856 81 N CB -0.931 37.574 38.487 0.030 0.000 1.050 81 N HN 0.464 nan 8.380 nan 0.000 0.423 82 I N 0.779 121.357 120.570 0.013 0.000 2.264 82 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 82 I C 1.773 177.891 176.117 0.003 0.000 1.111 82 I CA 1.239 62.544 61.300 0.008 0.000 1.382 82 I CB -0.549 37.455 38.000 0.006 0.000 1.060 82 I HN 0.130 nan 8.210 nan 0.000 0.418 83 L N 1.158 122.382 121.223 0.002 0.000 2.046 83 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 83 L C 2.926 179.794 176.870 -0.003 0.000 1.077 83 L CA 1.423 56.261 54.840 -0.003 0.000 0.747 83 L CB -0.616 41.441 42.059 -0.004 0.000 0.896 83 L HN 0.333 nan 8.230 nan 0.000 0.432 84 A N -0.284 122.536 122.820 0.001 0.000 1.933 84 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 84 A C 2.460 180.047 177.584 0.004 0.000 1.175 84 A CA 1.760 53.799 52.037 0.002 0.000 0.628 84 A CB -0.648 18.358 19.000 0.009 0.000 0.814 84 A HN 0.450 nan 8.150 nan 0.000 0.444 85 A N -0.007 122.816 122.820 0.004 0.000 1.873 85 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 85 A C 1.971 179.551 177.584 -0.006 0.000 1.186 85 A CA 1.537 53.574 52.037 0.000 0.000 0.616 85 A CB -0.496 18.505 19.000 0.002 0.000 0.823 85 A HN 0.377 nan 8.150 nan 0.000 0.442 86 I N 0.009 120.575 120.570 -0.007 0.000 2.208 86 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 86 I C 2.407 178.517 176.117 -0.012 0.000 1.097 86 I CA 1.486 62.780 61.300 -0.011 0.000 1.363 86 I CB -1.217 36.777 38.000 -0.010 0.000 1.051 86 I HN 0.345 nan 8.210 nan 0.000 0.413 87 R N 0.361 120.855 120.500 -0.009 0.000 2.276 87 R HA -0.039 4.301 4.340 -0.000 0.000 0.203 87 R C 2.269 178.568 176.300 -0.002 0.000 1.017 87 R CA 1.095 57.189 56.100 -0.009 0.000 1.010 87 R CB -0.104 30.189 30.300 -0.011 0.000 0.900 87 R HN 0.468 nan 8.270 nan 0.000 0.469 88 S N 0.260 115.959 115.700 -0.002 0.000 2.489 88 S HA 0.017 4.486 4.470 -0.000 0.000 0.228 88 S C 1.949 176.535 174.600 -0.025 0.000 0.995 88 S CA 0.264 58.462 58.200 -0.004 0.000 0.934 88 S CB -0.084 63.113 63.200 -0.004 0.000 0.771 88 S HN 0.195 nan 8.310 nan 0.000 0.522 89 L N 1.274 122.482 121.223 -0.024 0.000 1.994 89 L HA 0.023 4.362 4.340 -0.000 0.000 0.208 89 L C -0.449 176.401 176.870 -0.034 0.000 1.071 89 L CA 1.362 56.184 54.840 -0.031 0.000 0.745 89 L CB -2.029 40.014 42.059 -0.027 0.000 0.892 89 L HN 0.251 nan 8.230 nan 0.000 0.431 90 P HA -0.204 nan 4.420 nan 0.000 0.216 90 P C 1.839 179.113 177.300 -0.043 0.000 1.154 90 P CA 1.621 64.703 63.100 -0.031 0.000 0.865 90 P CB 0.021 31.706 31.700 -0.025 0.000 0.789 91 I N -1.760 118.780 120.570 -0.050 0.000 2.226 91 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 91 I C 2.329 178.360 176.117 -0.142 0.000 1.100 91 I CA 1.275 62.507 61.300 -0.113 0.000 1.374 91 I CB -0.594 37.330 38.000 -0.126 0.000 1.057 91 I HN -0.094 nan 8.210 nan 0.000 0.413 92 L N 0.136 121.301 121.223 -0.097 0.000 1.994 92 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 92 L C 2.291 179.131 176.870 -0.050 0.000 1.071 92 L CA 1.541 56.334 54.840 -0.078 0.000 0.745 92 L CB -0.623 41.399 42.059 -0.062 0.000 0.892 92 L HN 0.239 nan 8.230 nan 0.000 0.431 93 D N -0.150 120.225 120.400 -0.041 0.000 2.123 93 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 93 D C 2.101 178.393 176.300 -0.012 0.000 0.992 93 D CA 1.418 55.403 54.000 -0.024 0.000 0.833 93 D CB 0.126 40.912 40.800 -0.025 0.000 0.954 93 D HN 0.293 nan 8.370 nan 0.000 0.455 94 A N -0.320 122.486 122.820 -0.023 0.000 1.969 94 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 94 A C 2.306 179.906 177.584 0.027 0.000 1.169 94 A CA 1.091 53.124 52.037 -0.006 0.000 0.635 94 A CB -0.481 18.503 19.000 -0.027 0.000 0.810 94 A HN 0.252 nan 8.150 nan 0.000 0.445 95 M N -1.275 118.323 119.600 -0.003 0.000 2.117 95 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 95 M C 2.169 178.574 176.300 0.175 0.000 1.065 95 M CA 1.328 56.655 55.300 0.045 0.000 1.114 95 M CB -0.330 32.233 32.600 -0.060 0.000 1.361 95 M HN 0.478 nan 8.290 nan 0.000 0.408 96 L N 0.392 121.670 121.223 0.092 0.000 1.994 96 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 96 L C 2.583 179.498 176.870 0.075 0.000 1.071 96 L CA 2.353 57.241 54.840 0.080 0.000 0.745 96 L CB -0.889 41.185 42.059 0.025 0.000 0.892 96 L HN 0.341 nan 8.230 nan 0.000 0.431 97 S N -0.906 114.829 115.700 0.059 0.000 2.442 97 S HA -0.176 4.294 4.470 -0.000 0.000 0.236 97 S C 1.899 176.548 174.600 0.082 0.000 1.007 97 S CA 0.830 59.056 58.200 0.044 0.000 0.965 97 S CB -0.722 62.492 63.200 0.025 0.000 0.773 97 S HN 0.510 nan 8.310 nan 0.000 0.504 98 R N 1.052 121.655 120.500 0.172 0.000 2.323 98 R HA 0.202 4.542 4.340 -0.000 0.000 0.198 98 R C 1.436 177.880 176.300 0.241 0.000 0.988 98 R CA 0.418 56.678 56.100 0.267 0.000 1.041 98 R CB -0.387 30.175 30.300 0.437 0.000 0.926 98 R HN 0.614 nan 8.270 nan 0.000 0.476 99 G N 0.491 109.337 108.800 0.077 0.000 2.141 99 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 99 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 99 G C -0.121 174.538 174.900 -0.401 0.000 0.982 99 G CA -0.483 44.468 45.100 -0.249 0.000 0.662 99 G HN 0.220 nan 8.290 nan 0.000 0.527 100 F N 1.668 121.658 119.950 0.067 0.000 2.404 100 F HA 0.485 5.012 4.527 -0.000 0.000 0.358 100 F C 1.725 177.524 175.800 -0.001 0.000 1.120 100 F CA 0.473 58.523 58.000 0.082 0.000 1.144 100 F CB 1.632 40.703 39.000 0.119 0.000 1.133 100 F HN 0.079 nan 8.300 nan 0.000 0.495 101 T N -2.412 112.205 114.554 0.105 0.000 3.001 101 T HA 0.211 4.561 4.350 -0.000 0.000 0.251 101 T C 0.393 175.151 174.700 0.096 0.000 1.040 101 T CA -0.124 62.006 62.100 0.050 0.000 0.985 101 T CB 0.181 69.034 68.868 -0.026 0.000 1.011 101 T HN 0.320 nan 8.240 nan 0.000 0.509 102 S N 1.270 117.076 115.700 0.177 0.000 2.575 102 S HA 0.668 5.138 4.470 -0.000 0.000 0.278 102 S C -0.814 173.939 174.600 0.256 0.000 1.139 102 S CA -0.848 57.486 58.200 0.224 0.000 0.954 102 S CB 2.210 65.599 63.200 0.316 0.000 1.054 102 S HN 0.487 nan 8.310 nan 0.000 0.483 103 V N 1.216 121.257 119.914 0.212 0.000 2.680 103 V HA 0.677 4.797 4.120 -0.000 0.000 0.309 103 V C -0.327 175.904 176.094 0.229 0.000 1.052 103 V CA -1.167 61.236 62.300 0.171 0.000 0.908 103 V CB 1.686 33.542 31.823 0.055 0.000 1.001 103 V HN 0.855 nan 8.190 nan 0.000 0.431 104 R N 2.758 123.358 120.500 0.168 0.000 2.230 104 R HA 0.250 4.589 4.340 -0.000 0.000 0.337 104 R C -0.259 176.029 176.300 -0.019 0.000 1.063 104 R CA -0.338 55.838 56.100 0.126 0.000 0.935 104 R CB 0.315 30.645 30.300 0.050 0.000 1.121 104 R HN 1.011 nan 8.270 nan 0.000 0.486 105 D N 2.925 123.302 120.400 -0.038 0.000 2.390 105 D HA 0.016 4.656 4.640 -0.000 0.000 0.249 105 D C -0.176 175.973 176.300 -0.252 0.000 1.144 105 D CA 0.193 54.101 54.000 -0.152 0.000 0.880 105 D CB 1.324 42.067 40.800 -0.094 0.000 1.182 105 D HN 0.665 nan 8.370 nan 0.000 0.451 106 A N 3.000 125.515 122.820 -0.509 0.000 2.577 106 A HA 0.527 4.847 4.320 -0.000 0.000 0.280 106 A C 0.641 178.050 177.584 -0.293 0.000 1.331 106 A CA 0.335 52.043 52.037 -0.549 0.000 0.935 106 A CB -0.214 18.142 19.000 -1.073 0.000 1.082 106 A HN 0.733 nan 8.150 nan 0.000 0.525 107 G N -2.458 106.248 108.800 -0.157 0.000 2.957 107 G HA2 0.497 4.457 3.960 -0.000 0.000 0.636 107 G HA3 0.497 4.457 3.960 -0.000 0.000 0.636 107 G C 0.506 175.475 174.900 0.115 0.000 1.401 107 G CA 0.233 45.350 45.100 0.029 0.000 0.941 107 G HN 2.008 nan 8.290 nan 0.000 0.610 108 G N 0.596 109.428 108.800 0.054 0.000 3.178 108 G HA2 0.406 4.366 3.960 -0.000 0.000 0.200 108 G HA3 0.406 4.366 3.960 -0.000 0.000 0.200 108 G C 1.140 176.049 174.900 0.015 0.000 1.831 108 G CA 1.316 46.449 45.100 0.055 0.000 1.470 108 G HN 2.593 nan 8.290 nan 0.000 0.591 109 A N 1.642 124.463 122.820 0.001 0.000 2.445 109 A HA 0.563 4.883 4.320 -0.000 0.000 0.242 109 A C 0.411 177.993 177.584 -0.004 0.000 1.075 109 A CA 1.277 53.309 52.037 -0.009 0.000 0.777 109 A CB 0.100 19.084 19.000 -0.027 0.000 1.013 109 A HN 1.217 nan 8.150 nan 0.000 0.493 110 D N -0.043 120.365 120.400 0.012 0.000 2.689 110 D HA 0.159 4.799 4.640 -0.000 0.000 0.255 110 D C 0.665 177.019 176.300 0.091 0.000 1.113 110 D CA -0.750 53.285 54.000 0.058 0.000 1.115 110 D CB -0.274 40.576 40.800 0.082 0.000 1.334 110 D HN 0.536 nan 8.370 nan 0.000 0.621 111 W N 0.638 121.911 121.300 -0.045 0.000 2.363 111 W HA -0.145 4.515 4.660 -0.001 0.000 0.296 111 W C 1.921 178.415 176.519 -0.042 0.000 1.212 111 W CA 2.589 59.907 57.345 -0.045 0.000 1.260 111 W CB -0.246 29.194 29.460 -0.035 0.000 1.131 111 W HN 0.345 nan 8.180 nan 0.000 0.530 112 S N 0.731 116.468 115.700 0.062 0.000 2.382 112 S HA -0.234 4.236 4.470 -0.000 0.000 0.228 112 S C 1.936 176.400 174.600 -0.225 0.000 1.027 112 S CA 1.381 59.491 58.200 -0.150 0.000 0.991 112 S CB -0.918 62.312 63.200 0.050 0.000 0.823 112 S HN 0.369 nan 8.310 nan 0.000 0.469 113 L N 0.877 122.019 121.223 -0.135 0.000 2.017 113 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 113 L C 2.721 179.473 176.870 -0.198 0.000 1.073 113 L CA 1.569 56.328 54.840 -0.135 0.000 0.745 113 L CB -0.384 41.626 42.059 -0.081 0.000 0.894 113 L HN 0.398 nan 8.230 nan 0.000 0.432 114 M N -0.949 118.507 119.600 -0.240 0.000 2.106 114 M HA -0.291 4.189 4.480 -0.000 0.000 0.259 114 M C 2.259 178.337 176.300 -0.370 0.000 1.068 114 M CA 1.763 56.885 55.300 -0.296 0.000 1.100 114 M CB -0.058 32.362 32.600 -0.299 0.000 1.351 114 M HN 0.262 nan 8.290 nan 0.000 0.404 115 Q N -0.049 119.433 119.800 -0.531 0.000 2.123 115 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 115 Q C 2.207 178.018 176.000 -0.315 0.000 0.966 115 Q CA 1.670 57.159 55.803 -0.523 0.000 0.845 115 Q CB -0.706 27.547 28.738 -0.809 0.000 0.907 115 Q HN 0.697 nan 8.270 nan 0.000 0.439 116 A N 1.164 123.827 122.820 -0.262 0.000 1.873 116 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 116 A C 2.338 179.836 177.584 -0.143 0.000 1.193 116 A CA 2.540 54.476 52.037 -0.169 0.000 0.629 116 A CB -1.140 17.781 19.000 -0.133 0.000 0.826 116 A HN 0.311 nan 8.150 nan 0.000 0.447 117 V N -2.163 117.661 119.914 -0.150 0.000 2.343 117 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 117 V C 1.942 177.961 176.094 -0.125 0.000 1.051 117 V CA 2.543 64.768 62.300 -0.124 0.000 1.036 117 V CB -0.998 30.751 31.823 -0.122 0.000 0.654 117 V HN 0.607 nan 8.190 nan 0.000 0.451 118 E N 0.999 121.104 120.200 -0.157 0.000 2.152 118 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 118 E C 2.224 178.757 176.600 -0.112 0.000 0.983 118 E CA 1.618 57.934 56.400 -0.140 0.000 0.818 118 E CB -0.195 29.403 29.700 -0.170 0.000 0.758 118 E HN 0.896 nan 8.360 nan 0.000 0.467 119 T N -2.954 111.527 114.554 -0.121 0.000 3.148 119 T HA 0.189 4.539 4.350 -0.000 0.000 0.253 119 T C 1.466 176.121 174.700 -0.074 0.000 1.134 119 T CA 0.424 62.470 62.100 -0.091 0.000 1.051 119 T CB 0.408 69.220 68.868 -0.094 0.000 0.959 119 T HN 0.251 nan 8.240 nan 0.000 0.525 120 G N 0.952 109.705 108.800 -0.078 0.000 2.168 120 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.263 120 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.263 120 G C 0.584 175.451 174.900 -0.056 0.000 0.977 120 G CA 0.359 45.422 45.100 -0.062 0.000 0.659 120 G HN 0.507 nan 8.290 nan 0.000 0.533 121 L N -0.608 120.577 121.223 -0.065 0.000 2.187 121 L HA 0.294 4.634 4.340 -0.000 0.000 0.213 121 L C 1.336 178.174 176.870 -0.053 0.000 1.100 121 L CA 1.567 56.373 54.840 -0.057 0.000 0.765 121 L CB 0.084 42.104 42.059 -0.066 0.000 0.904 121 L HN 0.269 nan 8.230 nan 0.000 0.437 122 V N -2.036 117.841 119.914 -0.061 0.000 2.925 122 V HA 0.339 4.459 4.120 -0.000 0.000 0.311 122 V C -0.443 175.618 176.094 -0.054 0.000 1.104 122 V CA -0.834 61.432 62.300 -0.055 0.000 0.954 122 V CB 2.182 33.968 31.823 -0.061 0.000 1.022 122 V HN -0.035 nan 8.190 nan 0.000 0.427 123 S N 2.146 117.820 115.700 -0.044 0.000 2.452 123 S HA 0.840 5.310 4.470 -0.000 0.000 0.284 123 S C 0.102 174.678 174.600 -0.040 0.000 1.171 123 S CA 0.523 58.700 58.200 -0.039 0.000 1.064 123 S CB 0.422 63.605 63.200 -0.029 0.000 0.967 123 S HN 1.427 nan 8.310 nan 0.000 0.484 124 G N 4.718 113.494 108.800 -0.040 0.000 2.325 124 G HA2 0.418 4.378 3.960 -0.000 0.000 0.295 124 G HA3 0.418 4.378 3.960 -0.000 0.000 0.295 124 G C -3.550 171.333 174.900 -0.028 0.000 1.274 124 G CA -0.794 44.286 45.100 -0.033 0.000 0.857 124 G HN 0.504 nan 8.290 nan 0.000 0.499 125 P HA 0.320 nan 4.420 nan 0.000 0.272 125 P C -0.267 177.003 177.300 -0.050 0.000 1.240 125 P CA -0.494 62.607 63.100 0.002 0.000 0.791 125 P CB 0.481 32.212 31.700 0.050 0.000 0.978 126 R N 1.840 122.302 120.500 -0.063 0.000 2.489 126 R HA 0.240 4.580 4.340 -0.000 0.000 0.287 126 R C -0.551 175.620 176.300 -0.215 0.000 1.053 126 R CA -0.079 55.918 56.100 -0.172 0.000 1.036 126 R CB -0.446 29.731 30.300 -0.205 0.000 0.966 126 R HN 0.369 nan 8.270 nan 0.000 0.432 127 I N 4.547 124.940 120.570 -0.296 0.000 2.437 127 I HA 0.241 4.411 4.170 -0.000 0.000 0.298 127 I C -0.609 175.242 176.117 -0.444 0.000 0.984 127 I CA -0.634 60.526 61.300 -0.232 0.000 1.214 127 I CB 1.266 39.181 38.000 -0.142 0.000 1.365 127 I HN 0.512 nan 8.210 nan 0.000 0.469 128 F N 6.435 126.372 119.950 -0.023 0.000 2.307 128 F HA 0.358 4.885 4.527 0.000 0.000 0.369 128 F C -2.158 173.619 175.800 -0.037 0.000 1.076 128 F CA -2.261 55.730 58.000 -0.015 0.000 1.149 128 F CB 0.679 39.681 39.000 0.003 0.000 1.410 128 F HN 0.195 nan 8.300 nan 0.000 0.481 129 P HA 0.153 nan 4.420 nan 0.000 0.285 129 P C 0.123 177.426 177.300 0.006 0.000 1.259 129 P CA -0.227 62.883 63.100 0.017 0.000 0.794 129 P CB 1.903 33.610 31.700 0.013 0.000 0.940 130 S N 1.612 117.289 115.700 -0.038 0.000 2.558 130 S HA 0.201 4.671 4.470 -0.000 0.000 0.217 130 S C 1.440 176.003 174.600 -0.062 0.000 0.975 130 S CA 0.579 58.738 58.200 -0.068 0.000 0.912 130 S CB -0.706 62.438 63.200 -0.094 0.000 0.776 130 S HN 0.870 nan 8.310 nan 0.000 0.526 131 G N 2.357 111.130 108.800 -0.044 0.000 2.620 131 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.315 131 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.315 131 G C -0.310 174.540 174.900 -0.084 0.000 1.179 131 G CA 0.276 45.338 45.100 -0.064 0.000 0.971 131 G HN 0.455 nan 8.290 nan 0.000 0.544 132 K N 1.208 121.533 120.400 -0.125 0.000 2.221 132 K HA 0.679 4.999 4.320 -0.000 0.000 0.258 132 K C 0.290 176.853 176.600 -0.062 0.000 0.944 132 K CA -0.126 56.093 56.287 -0.114 0.000 0.823 132 K CB 2.154 34.512 32.500 -0.237 0.000 1.113 132 K HN 0.956 nan 8.250 nan 0.000 0.431 133 A N 3.527 126.344 122.820 -0.005 0.000 2.540 133 A HA 0.132 4.452 4.320 -0.000 0.000 0.239 133 A C 0.119 177.722 177.584 0.032 0.000 1.061 133 A CA -0.096 51.958 52.037 0.028 0.000 0.758 133 A CB -0.119 18.926 19.000 0.075 0.000 0.991 133 A HN 0.654 nan 8.150 nan 0.000 0.502 134 L N 2.806 124.067 121.223 0.064 0.000 2.278 134 L HA 0.410 4.750 4.340 -0.000 0.000 0.287 134 L C 0.662 177.677 176.870 0.242 0.000 1.072 134 L CA -0.063 54.855 54.840 0.130 0.000 0.819 134 L CB 1.026 43.140 42.059 0.092 0.000 1.176 134 L HN 0.761 nan 8.230 nan 0.000 0.435 135 S N 3.321 119.121 115.700 0.166 0.000 2.526 135 S HA 0.430 4.900 4.470 -0.000 0.000 0.293 135 S C -0.478 174.060 174.600 -0.104 0.000 1.092 135 S CA -0.887 57.325 58.200 0.019 0.000 0.980 135 S CB 1.825 64.966 63.200 -0.099 0.000 1.048 135 S HN 0.655 nan 8.310 nan 0.000 0.483 136 Q N 2.335 121.795 119.800 -0.566 0.000 2.535 136 Q HA 0.336 4.675 4.340 -0.000 0.000 0.228 136 Q C -0.322 175.547 176.000 -0.218 0.000 1.062 136 Q CA -0.325 55.201 55.803 -0.463 0.000 0.967 136 Q CB -0.296 28.005 28.738 -0.729 0.000 1.273 136 Q HN 0.529 nan 8.270 nan 0.000 0.554 137 T N 0.833 115.310 114.554 -0.130 0.000 2.902 137 T HA 0.330 4.680 4.350 -0.000 0.000 0.301 137 T C 0.986 175.624 174.700 -0.104 0.000 1.012 137 T CA 0.926 62.973 62.100 -0.088 0.000 1.151 137 T CB 0.042 68.883 68.868 -0.045 0.000 0.946 137 T HN 0.966 nan 8.240 nan 0.000 0.542 138 G N 2.562 111.302 108.800 -0.099 0.000 2.155 138 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.257 138 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.257 138 G C 0.487 175.321 174.900 -0.110 0.000 0.983 138 G CA 0.014 45.060 45.100 -0.090 0.000 0.676 138 G HN 1.112 nan 8.290 nan 0.000 0.528 139 G N -2.022 106.683 108.800 -0.158 0.000 2.532 139 G HA2 0.474 4.434 3.960 -0.000 0.000 0.291 139 G HA3 0.474 4.434 3.960 -0.000 0.000 0.291 139 G C 0.536 175.342 174.900 -0.157 0.000 1.349 139 G CA 0.381 45.388 45.100 -0.155 0.000 1.038 139 G HN 0.455 nan 8.290 nan 0.000 0.518 140 H N -0.969 117.968 119.070 -0.222 0.000 2.518 140 H HA 0.003 4.559 4.556 -0.000 0.000 0.289 140 H C 2.196 177.277 175.328 -0.412 0.000 1.051 140 H CA 1.728 57.624 56.048 -0.254 0.000 1.280 140 H CB 0.032 29.628 29.762 -0.277 0.000 1.380 140 H HN 0.415 nan 8.280 nan 0.000 0.566 141 G N -1.324 107.188 108.800 -0.480 0.000 3.159 141 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.232 141 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.232 141 G C -0.190 174.214 174.900 -0.827 0.000 1.116 141 G CA -0.116 44.593 45.100 -0.650 0.000 0.767 141 G HN 0.259 nan 8.290 nan 0.000 0.547 142 D N 0.472 120.478 120.400 -0.658 0.000 2.339 142 D HA 0.255 4.895 4.640 -0.000 0.000 0.241 142 D C -0.187 175.758 176.300 -0.591 0.000 1.183 142 D CA -0.710 53.009 54.000 -0.468 0.000 0.859 142 D CB 0.615 41.273 40.800 -0.238 0.000 1.067 142 D HN 0.039 nan 8.370 nan 0.000 0.484 143 F N 2.244 122.170 119.950 -0.040 0.000 2.645 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.300 143 F C 1.189 176.977 175.800 -0.020 0.000 1.115 143 F CA -0.402 57.575 58.000 -0.038 0.000 1.355 143 F CB -0.006 38.967 39.000 -0.045 0.000 1.026 143 F HN -0.024 nan 8.300 nan 0.000 0.536 144 R N 2.534 123.074 120.500 0.067 0.000 2.347 144 R HA 0.216 4.556 4.340 -0.000 0.000 0.304 144 R C -2.130 174.195 176.300 0.042 0.000 1.072 144 R CA -1.590 54.542 56.100 0.053 0.000 0.980 144 R CB 0.026 30.339 30.300 0.022 0.000 0.986 144 R HN -0.032 nan 8.270 nan 0.000 0.448 145 P HA 0.007 nan 4.420 nan 0.000 0.270 145 P C -0.372 176.940 177.300 0.021 0.000 1.223 145 P CA -0.292 62.829 63.100 0.035 0.000 0.785 145 P CB 0.747 32.466 31.700 0.032 0.000 0.923 146 R N -0.168 120.343 120.500 0.018 0.000 2.954 146 R HA 0.334 4.674 4.340 -0.000 0.000 0.276 146 R C 1.294 177.599 176.300 0.009 0.000 1.218 146 R CA 1.237 57.343 56.100 0.011 0.000 1.149 146 R CB -0.677 29.630 30.300 0.011 0.000 1.112 146 R HN 0.772 nan 8.270 nan 0.000 0.577 147 G N -0.185 108.619 108.800 0.007 0.000 4.013 147 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.255 147 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.255 147 G C -1.202 173.701 174.900 0.004 0.000 1.765 147 G CA 0.269 45.372 45.100 0.006 0.000 1.396 147 G HN 0.844 nan 8.290 nan 0.000 0.605 148 D N -0.089 120.314 120.400 0.005 0.000 2.914 148 D HA 0.404 5.044 4.640 -0.000 0.000 0.236 148 D C 0.050 176.352 176.300 0.004 0.000 1.405 148 D CA 0.097 54.099 54.000 0.004 0.000 0.900 148 D CB -0.462 40.339 40.800 0.003 0.000 1.518 148 D HN 0.999 nan 8.370 nan 0.000 0.548 155 C N -1.263 117.964 119.300 -0.122 0.000 4.290 155 C HA 0.354 4.814 4.460 -0.000 0.000 0.358 155 C C -0.011 174.737 174.990 -0.404 0.000 2.869 155 C CA -0.281 58.600 59.018 -0.228 0.000 1.566 155 C CB -1.485 26.165 27.740 -0.150 0.000 1.872 155 C HN 1.113 nan 8.230 nan 0.000 0.370 156 C N 2.365 121.483 119.300 -0.304 0.000 2.351 156 C HA 0.750 5.210 4.460 -0.000 0.000 0.326 156 C C -0.117 174.752 174.990 -0.201 0.000 1.272 156 C CA -0.228 58.604 59.018 -0.310 0.000 1.650 156 C CB -0.027 27.633 27.740 -0.133 0.000 2.257 156 C HN 0.494 nan 8.230 nan 0.000 0.505 157 F N 6.232 126.194 119.950 0.020 0.000 2.434 157 F HA 0.328 4.855 4.527 -0.000 0.000 0.358 157 F C 1.236 177.051 175.800 0.026 0.000 1.136 157 F CA -0.467 57.548 58.000 0.026 0.000 1.157 157 F CB 0.450 39.466 39.000 0.027 0.000 1.167 157 F HN 0.388 nan 8.300 nan 0.000 0.539 158 R N 1.625 122.259 120.500 0.224 0.000 2.449 158 R HA 0.046 4.385 4.340 -0.000 0.000 0.296 158 R C 1.134 177.507 176.300 0.122 0.000 1.047 158 R CA 0.084 56.263 56.100 0.133 0.000 1.018 158 R CB 0.092 30.452 30.300 0.100 0.000 0.962 158 R HN 0.666 nan 8.270 nan 0.000 0.428 159 T N -1.220 113.386 114.554 0.088 0.000 3.163 159 T HA -0.027 4.323 4.350 -0.000 0.000 0.260 159 T C 1.551 176.279 174.700 0.046 0.000 1.156 159 T CA 0.770 62.910 62.100 0.066 0.000 1.072 159 T CB 0.144 69.044 68.868 0.054 0.000 0.937 159 T HN 0.670 nan 8.240 nan 0.000 0.528 160 G N 0.490 109.316 108.800 0.043 0.000 3.042 160 G HA2 0.519 4.479 3.960 -0.000 0.000 0.212 160 G HA3 0.519 4.479 3.960 -0.000 0.000 0.212 160 G C 0.463 175.379 174.900 0.026 0.000 1.166 160 G CA -0.039 45.075 45.100 0.024 0.000 0.767 160 G HN 0.764 nan 8.290 nan 0.000 0.546 161 A N 0.565 123.418 122.820 0.056 0.000 2.328 161 A HA 0.610 4.930 4.320 -0.000 0.000 0.284 161 A C 1.072 178.705 177.584 0.080 0.000 1.160 161 A CA -0.505 51.580 52.037 0.080 0.000 0.818 161 A CB 0.658 19.734 19.000 0.127 0.000 1.087 161 A HN 0.022 nan 8.150 nan 0.000 0.504 162 I N 1.173 121.812 120.570 0.115 0.000 2.480 162 I HA 0.055 4.225 4.170 -0.000 0.000 0.251 162 I C 1.456 177.641 176.117 0.114 0.000 1.124 162 I CA 1.450 62.833 61.300 0.137 0.000 1.444 162 I CB -1.367 36.719 38.000 0.143 0.000 1.098 162 I HN 0.659 nan 8.210 nan 0.000 0.428 163 A N 1.369 124.263 122.820 0.124 0.000 2.430 163 A HA 0.785 5.105 4.320 -0.000 0.000 0.300 163 A C -0.069 177.543 177.584 0.048 0.000 1.124 163 A CA -0.650 51.423 52.037 0.060 0.000 0.766 163 A CB 1.536 20.547 19.000 0.018 0.000 1.328 163 A HN 0.271 nan 8.150 nan 0.000 0.424 164 R N -0.062 120.454 120.500 0.027 0.000 2.750 164 R HA 0.709 5.049 4.340 -0.000 0.000 0.281 164 R C -1.718 174.632 176.300 0.083 0.000 0.972 164 R CA -0.712 55.443 56.100 0.092 0.000 0.912 164 R CB 1.461 31.823 30.300 0.104 0.000 1.187 164 R HN 0.273 nan 8.270 nan 0.000 0.464 165 V N 3.008 122.976 119.914 0.091 0.000 2.408 165 V HA 0.304 4.424 4.120 -0.000 0.000 0.267 165 V C 0.047 176.202 176.094 0.100 0.000 1.047 165 V CA -0.388 61.948 62.300 0.060 0.000 0.937 165 V CB 0.868 32.703 31.823 0.019 0.000 0.999 165 V HN 0.621 nan 8.190 nan 0.000 0.472 166 V N 1.826 121.823 119.914 0.138 0.000 2.841 166 V HA 0.796 4.916 4.120 -0.000 0.000 0.310 166 V C -1.227 174.994 176.094 0.212 0.000 1.090 166 V CA -0.957 61.432 62.300 0.148 0.000 0.930 166 V CB 2.268 34.169 31.823 0.131 0.000 1.014 166 V HN 0.754 nan 8.190 nan 0.000 0.425 167 D N 1.476 121.966 120.400 0.151 0.000 2.738 167 D HA 0.840 5.480 4.640 -0.000 0.000 0.237 167 D C 0.125 176.491 176.300 0.111 0.000 1.123 167 D CA 0.546 54.647 54.000 0.168 0.000 0.856 167 D CB 1.851 42.711 40.800 0.100 0.000 1.552 167 D HN 1.452 nan 8.370 nan 0.000 0.480 168 G N -0.658 108.209 108.800 0.113 0.000 2.617 168 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 168 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 168 G C 0.498 175.417 174.900 0.032 0.000 1.214 168 G CA -0.532 44.605 45.100 0.062 0.000 0.796 168 G HN 0.404 nan 8.290 nan 0.000 0.654 169 V N 1.107 121.031 119.914 0.017 0.000 2.255 169 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 169 V C 2.654 178.741 176.094 -0.011 0.000 1.051 169 V CA 2.716 65.012 62.300 -0.006 0.000 1.018 169 V CB -0.436 31.386 31.823 -0.001 0.000 0.641 169 V HN 0.777 nan 8.190 nan 0.000 0.445 170 E N 0.536 120.737 120.200 0.001 0.000 2.152 170 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 170 E C 2.342 178.944 176.600 0.005 0.000 0.983 170 E CA 1.225 57.626 56.400 0.001 0.000 0.818 170 E CB -0.632 29.071 29.700 0.005 0.000 0.758 170 E HN 0.619 nan 8.360 nan 0.000 0.467 171 G N 1.895 110.704 108.800 0.015 0.000 2.446 171 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 171 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 171 G C 1.847 176.755 174.900 0.014 0.000 1.168 171 G CA 1.779 46.894 45.100 0.026 0.000 0.771 171 G HN 0.309 nan 8.290 nan 0.000 0.551 172 V N -1.658 118.247 119.914 -0.015 0.000 2.548 172 V HA 0.094 4.214 4.120 -0.000 0.000 0.249 172 V C 2.492 178.551 176.094 -0.057 0.000 1.055 172 V CA 1.824 64.086 62.300 -0.064 0.000 1.065 172 V CB -0.530 31.185 31.823 -0.180 0.000 0.681 172 V HN 0.263 nan 8.190 nan 0.000 0.462 173 R N -0.300 120.175 120.500 -0.042 0.000 2.066 173 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 173 R C 2.317 178.605 176.300 -0.020 0.000 1.131 173 R CA 1.885 57.965 56.100 -0.034 0.000 0.955 173 R CB -0.479 29.807 30.300 -0.024 0.000 0.851 173 R HN 0.540 nan 8.270 nan 0.000 0.432 174 L N 0.726 121.945 121.223 -0.007 0.000 2.083 174 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 174 L C 2.170 179.045 176.870 0.008 0.000 1.083 174 L CA 2.050 56.892 54.840 0.003 0.000 0.752 174 L CB -0.672 41.395 42.059 0.014 0.000 0.899 174 L HN 0.153 nan 8.230 nan 0.000 0.433 175 A N -1.329 121.497 122.820 0.009 0.000 1.933 175 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 175 A C 2.262 179.838 177.584 -0.014 0.000 1.175 175 A CA 1.843 53.890 52.037 0.016 0.000 0.628 175 A CB -0.988 18.026 19.000 0.023 0.000 0.814 175 A HN 0.299 nan 8.150 nan 0.000 0.444 176 V N 0.039 119.934 119.914 -0.032 0.000 2.307 176 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 176 V C 2.596 178.668 176.094 -0.036 0.000 1.045 176 V CA 2.194 64.468 62.300 -0.045 0.000 1.024 176 V CB -0.806 30.984 31.823 -0.054 0.000 0.651 176 V HN 0.530 nan 8.190 nan 0.000 0.449 177 R N -0.226 120.258 120.500 -0.026 0.000 2.127 177 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 177 R C 2.255 178.541 176.300 -0.022 0.000 1.134 177 R CA 1.745 57.831 56.100 -0.023 0.000 0.975 177 R CB -0.265 30.025 30.300 -0.016 0.000 0.865 177 R HN 0.642 nan 8.270 nan 0.000 0.447 178 E N 0.091 120.285 120.200 -0.011 0.000 2.046 178 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 178 E C 1.905 178.490 176.600 -0.024 0.000 0.982 178 E CA 0.698 57.098 56.400 -0.001 0.000 0.800 178 E CB 0.149 29.874 29.700 0.040 0.000 0.756 178 E HN 0.231 nan 8.360 nan 0.000 0.449 179 E N 0.462 120.638 120.200 -0.040 0.000 2.152 179 E HA -0.121 4.228 4.350 -0.000 0.000 0.192 179 E C 2.071 178.638 176.600 -0.055 0.000 0.983 179 E CA 0.625 56.988 56.400 -0.061 0.000 0.818 179 E CB -0.011 29.643 29.700 -0.077 0.000 0.758 179 E HN 0.292 nan 8.360 nan 0.000 0.467 180 I N 1.136 121.675 120.570 -0.051 0.000 2.353 180 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 180 I C 2.680 178.757 176.117 -0.066 0.000 1.119 180 I CA 0.838 62.108 61.300 -0.050 0.000 1.417 180 I CB -0.073 37.902 38.000 -0.042 0.000 1.078 180 I HN 0.020 nan 8.210 nan 0.000 0.421 181 Q N 1.250 121.009 119.800 -0.069 0.000 2.096 181 Q HA -0.249 4.090 4.340 -0.000 0.000 0.204 181 Q C 2.067 177.978 176.000 -0.148 0.000 0.982 181 Q CA 1.708 57.453 55.803 -0.096 0.000 0.850 181 Q CB -0.034 28.662 28.738 -0.070 0.000 0.901 181 Q HN 0.464 nan 8.270 nan 0.000 0.422 182 K N -1.500 118.832 120.400 -0.114 0.000 2.283 182 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 182 K C 0.912 177.419 176.600 -0.155 0.000 1.048 182 K CA 0.771 56.983 56.287 -0.126 0.000 0.948 182 K CB 0.182 32.651 32.500 -0.051 0.000 0.742 182 K HN 0.430 nan 8.250 nan 0.000 0.458 183 G N 0.241 108.977 108.800 -0.107 0.000 2.148 183 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.120 183 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.120 183 G C -0.008 174.943 174.900 0.085 0.000 1.034 183 G CA -0.236 44.833 45.100 -0.052 0.000 0.710 183 G HN 0.378 nan 8.290 nan 0.000 0.495 184 A N 0.123 122.959 122.820 0.026 0.000 2.466 184 A HA 0.642 4.962 4.320 -0.000 0.000 0.238 184 A C 1.633 179.237 177.584 0.032 0.000 1.074 184 A CA 1.541 53.591 52.037 0.020 0.000 0.774 184 A CB 0.314 19.295 19.000 -0.032 0.000 1.015 184 A HN 1.402 nan 8.150 nan 0.000 0.498 185 T N -1.672 112.908 114.554 0.044 0.000 3.023 185 T HA 0.236 4.586 4.350 -0.000 0.000 0.249 185 T C 0.537 175.218 174.700 -0.031 0.000 1.050 185 T CA 0.663 62.808 62.100 0.075 0.000 1.088 185 T CB -0.001 68.996 68.868 0.216 0.000 0.946 185 T HN 0.921 nan 8.240 nan 0.000 0.480 186 Q N 0.367 120.085 119.800 -0.135 0.000 2.626 186 Q HA 0.517 4.856 4.340 -0.000 0.000 0.300 186 Q C -1.948 173.886 176.000 -0.277 0.000 0.988 186 Q CA -1.138 54.439 55.803 -0.376 0.000 0.761 186 Q CB 1.169 29.422 28.738 -0.809 0.000 1.494 186 Q HN 0.148 nan 8.270 nan 0.000 0.439 187 I N 1.330 121.709 120.570 -0.320 0.000 2.378 187 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 187 I C -0.195 175.829 176.117 -0.155 0.000 0.992 187 I CA -0.621 60.568 61.300 -0.185 0.000 1.154 187 I CB 1.309 39.224 38.000 -0.143 0.000 1.315 187 I HN 0.700 nan 8.210 nan 0.000 0.448 188 K N 7.780 128.125 120.400 -0.092 0.000 2.159 188 K HA 0.743 5.063 4.320 -0.000 0.000 0.266 188 K C -0.785 175.829 176.600 0.023 0.000 0.975 188 K CA -0.414 55.855 56.287 -0.031 0.000 0.865 188 K CB 1.309 33.793 32.500 -0.027 0.000 1.087 188 K HN 0.645 nan 8.250 nan 0.000 0.446 189 I N -0.346 120.269 120.570 0.074 0.000 3.002 189 I HA 0.529 4.699 4.170 -0.000 0.000 0.310 189 I C -0.905 175.337 176.117 0.208 0.000 1.087 189 I CA -1.198 60.190 61.300 0.146 0.000 1.017 189 I CB 2.064 40.140 38.000 0.127 0.000 1.226 189 I HN 0.349 nan 8.210 nan 0.000 0.443 190 M N 3.572 123.319 119.600 0.246 0.000 2.061 190 M HA 0.404 4.883 4.480 -0.000 0.000 0.346 190 M C 0.446 176.884 176.300 0.230 0.000 1.112 190 M CA -0.442 54.978 55.300 0.201 0.000 1.021 190 M CB 0.602 33.251 32.600 0.082 0.000 1.530 190 M HN 0.923 nan 8.290 nan 0.000 0.437 191 A N 1.988 124.954 122.820 0.244 0.000 2.303 191 A HA 0.330 4.650 4.320 -0.000 0.000 0.217 191 A C 0.946 178.608 177.584 0.129 0.000 1.205 191 A CA 0.210 52.360 52.037 0.189 0.000 0.875 191 A CB 0.425 19.515 19.000 0.150 0.000 0.910 191 A HN 0.644 nan 8.150 nan 0.000 0.501 192 S N -1.741 114.059 115.700 0.166 0.000 2.627 192 S HA 0.594 5.064 4.470 -0.000 0.000 0.283 192 S C 0.444 175.126 174.600 0.136 0.000 1.127 192 S CA -0.015 58.252 58.200 0.111 0.000 0.863 192 S CB 1.155 64.357 63.200 0.003 0.000 1.121 192 S HN 0.718 nan 8.310 nan 0.000 0.479 193 G N 0.380 109.245 108.800 0.109 0.000 2.732 193 G HA2 0.490 4.450 3.960 -0.000 0.000 0.244 193 G HA3 0.490 4.450 3.960 -0.000 0.000 0.244 193 G C 0.424 175.428 174.900 0.173 0.000 1.226 193 G CA 0.265 45.436 45.100 0.117 0.000 0.860 193 G HN 1.014 nan 8.290 nan 0.000 0.583 194 G N -2.152 106.713 108.800 0.108 0.000 3.107 194 G HA2 0.459 4.419 3.960 -0.000 0.000 0.233 194 G HA3 0.459 4.419 3.960 -0.000 0.000 0.233 194 G C 0.109 175.148 174.900 0.232 0.000 1.168 194 G CA 0.477 45.606 45.100 0.049 0.000 0.801 194 G HN 0.737 nan 8.290 nan 0.000 0.605 195 V N 0.101 120.230 119.914 0.357 0.000 2.996 195 V HA 0.302 4.422 4.120 -0.000 0.000 0.235 195 V C 2.519 178.779 176.094 0.276 0.000 1.205 195 V CA 1.364 63.819 62.300 0.258 0.000 1.225 195 V CB 0.484 32.442 31.823 0.225 0.000 0.995 195 V HN 0.792 nan 8.190 nan 0.000 0.484 196 A N 0.945 123.989 122.820 0.373 0.000 2.276 196 A HA 0.297 4.617 4.320 -0.000 0.000 0.212 196 A C 0.999 178.729 177.584 0.243 0.000 1.230 196 A CA 0.620 52.788 52.037 0.219 0.000 0.844 196 A CB -0.454 18.626 19.000 0.133 0.000 0.860 196 A HN 0.572 nan 8.150 nan 0.000 0.486 197 S N -0.985 114.859 115.700 0.240 0.000 2.537 197 S HA 0.580 5.050 4.470 -0.000 0.000 0.301 197 S C -1.931 172.755 174.600 0.144 0.000 1.092 197 S CA -1.358 56.947 58.200 0.174 0.000 1.048 197 S CB 1.951 65.128 63.200 -0.038 0.000 1.053 197 S HN 0.079 nan 8.310 nan 0.000 0.501 198 P HA -0.072 nan 4.420 nan 0.000 0.214 198 P C 1.392 178.724 177.300 0.054 0.000 1.162 198 P CA 1.857 65.008 63.100 0.085 0.000 0.874 198 P CB -0.400 31.348 31.700 0.081 0.000 0.784 199 T N -3.702 110.871 114.554 0.031 0.000 3.022 199 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 199 T C 0.459 175.171 174.700 0.019 0.000 1.060 199 T CA -0.290 61.821 62.100 0.017 0.000 1.013 199 T CB -0.618 68.249 68.868 -0.001 0.000 0.982 199 T HN 0.112 nan 8.240 nan 0.000 0.508 200 D N 3.087 123.507 120.400 0.034 0.000 2.329 200 D HA 0.318 4.958 4.640 -0.000 0.000 0.232 200 D C -2.821 173.512 176.300 0.054 0.000 1.088 200 D CA -2.142 51.882 54.000 0.039 0.000 0.835 200 D CB 1.692 42.518 40.800 0.044 0.000 1.078 200 D HN 0.167 nan 8.370 nan 0.000 0.495 201 P HA 0.021 nan 4.420 nan 0.000 0.269 201 P C 1.160 178.482 177.300 0.038 0.000 1.215 201 P CA -0.501 62.615 63.100 0.027 0.000 0.780 201 P CB 1.514 33.221 31.700 0.012 0.000 0.898 202 I N 0.748 121.332 120.570 0.023 0.000 2.676 202 I HA -0.137 4.033 4.170 -0.000 0.000 0.259 202 I C 1.638 177.787 176.117 0.054 0.000 1.194 202 I CA 1.230 62.558 61.300 0.046 0.000 1.473 202 I CB -0.217 37.741 38.000 -0.070 0.000 1.096 202 I HN 0.272 nan 8.210 nan 0.000 0.443 203 A N 1.905 124.736 122.820 0.019 0.000 2.014 203 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 203 A C 1.068 178.669 177.584 0.028 0.000 1.163 203 A CA 0.930 52.977 52.037 0.016 0.000 0.652 203 A CB -0.912 18.087 19.000 -0.001 0.000 0.808 203 A HN 0.783 nan 8.150 nan 0.000 0.449 204 N N -0.038 118.680 118.700 0.030 0.000 2.493 204 N HA 0.352 5.092 4.740 -0.000 0.000 0.275 204 N C -0.223 175.308 175.510 0.035 0.000 1.186 204 N CA 0.135 53.200 53.050 0.026 0.000 0.978 204 N CB 0.630 39.126 38.487 0.016 0.000 1.184 204 N HN 0.172 nan 8.380 nan 0.000 0.487 205 T N -1.972 112.599 114.554 0.028 0.000 2.934 205 T HA 0.323 4.673 4.350 -0.000 0.000 0.283 205 T C -0.373 174.339 174.700 0.019 0.000 1.005 205 T CA -0.765 61.356 62.100 0.035 0.000 1.041 205 T CB 1.572 70.463 68.868 0.038 0.000 1.042 205 T HN 0.596 nan 8.240 nan 0.000 0.505 206 Q N 0.208 120.022 119.800 0.025 0.000 2.372 206 Q HA 0.523 4.863 4.340 -0.000 0.000 0.273 206 Q C -1.619 174.405 176.000 0.040 0.000 1.078 206 Q CA -0.946 54.830 55.803 -0.045 0.000 0.806 206 Q CB 2.344 31.012 28.738 -0.116 0.000 1.332 206 Q HN 0.835 nan 8.270 nan 0.000 0.435 207 Y N -0.682 119.632 120.300 0.025 0.000 2.540 207 Y HA -0.294 4.256 4.550 -0.000 0.000 0.022 207 Y C 0.228 176.139 175.900 0.018 0.000 1.737 207 Y CA 0.138 58.250 58.100 0.020 0.000 1.396 207 Y CB -0.388 38.085 38.460 0.022 0.000 2.043 207 Y HN 0.769 nan 8.280 nan 0.000 0.259 208 S N 1.569 117.403 115.700 0.224 0.000 2.624 208 S HA 0.243 4.713 4.470 -0.000 0.000 0.263 208 S C 0.799 175.453 174.600 0.091 0.000 1.287 208 S CA -0.110 58.161 58.200 0.119 0.000 0.990 208 S CB 1.566 64.818 63.200 0.086 0.000 0.950 208 S HN 0.695 nan 8.310 nan 0.000 0.561 209 E N 0.487 120.722 120.200 0.057 0.000 2.106 209 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 209 E C 1.178 177.790 176.600 0.020 0.000 0.984 209 E CA 1.155 57.577 56.400 0.037 0.000 0.806 209 E CB -0.230 29.487 29.700 0.029 0.000 0.750 209 E HN 0.646 nan 8.360 nan 0.000 0.458 210 D N 1.138 121.551 120.400 0.021 0.000 2.133 210 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 210 D C 1.778 178.071 176.300 -0.012 0.000 0.997 210 D CA 1.154 55.159 54.000 0.008 0.000 0.840 210 D CB -0.143 40.666 40.800 0.015 0.000 0.947 210 D HN 0.255 nan 8.370 nan 0.000 0.452 211 E N 0.053 120.245 120.200 -0.013 0.000 2.031 211 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 211 E C 2.405 178.913 176.600 -0.153 0.000 0.994 211 E CA 0.608 56.955 56.400 -0.089 0.000 0.800 211 E CB -0.022 29.630 29.700 -0.081 0.000 0.752 211 E HN 0.298 nan 8.360 nan 0.000 0.447 212 I N 0.484 120.992 120.570 -0.103 0.000 2.179 212 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 212 I C 2.603 178.683 176.117 -0.062 0.000 1.088 212 I CA 1.014 62.256 61.300 -0.096 0.000 1.357 212 I CB -0.347 37.643 38.000 -0.016 0.000 1.051 212 I HN 0.046 nan 8.210 nan 0.000 0.409 213 R N 0.870 121.350 120.500 -0.033 0.000 2.094 213 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 213 R C 2.487 178.769 176.300 -0.030 0.000 1.137 213 R CA 1.900 57.988 56.100 -0.020 0.000 0.943 213 R CB -0.526 29.770 30.300 -0.006 0.000 0.850 213 R HN 0.415 nan 8.270 nan 0.000 0.433 214 A N 0.950 123.744 122.820 -0.043 0.000 1.917 214 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 214 A C 2.127 179.677 177.584 -0.058 0.000 1.182 214 A CA 1.513 53.523 52.037 -0.045 0.000 0.633 214 A CB -0.555 18.415 19.000 -0.050 0.000 0.819 214 A HN 0.275 nan 8.150 nan 0.000 0.448 215 I N -0.676 119.841 120.570 -0.088 0.000 2.315 215 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 215 I C 2.266 178.348 176.117 -0.059 0.000 1.117 215 I CA 0.926 62.168 61.300 -0.096 0.000 1.404 215 I CB -0.298 37.611 38.000 -0.151 0.000 1.071 215 I HN 0.150 nan 8.210 nan 0.000 0.419 216 V N 0.745 120.635 119.914 -0.040 0.000 2.358 216 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 216 V C 2.067 178.160 176.094 -0.002 0.000 1.047 216 V CA 1.859 64.153 62.300 -0.010 0.000 1.035 216 V CB -0.641 31.185 31.823 0.006 0.000 0.658 216 V HN 0.368 nan 8.190 nan 0.000 0.452 217 D N -0.067 120.328 120.400 -0.007 0.000 2.104 217 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 217 D C 2.279 178.574 176.300 -0.007 0.000 0.994 217 D CA 1.220 55.218 54.000 -0.003 0.000 0.830 217 D CB -0.213 40.583 40.800 -0.006 0.000 0.959 217 D HN 0.377 nan 8.370 nan 0.000 0.452 218 E N 0.552 120.740 120.200 -0.020 0.000 2.106 218 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 218 E C 2.102 178.689 176.600 -0.021 0.000 0.984 218 E CA 0.833 57.220 56.400 -0.022 0.000 0.806 218 E CB -0.373 29.308 29.700 -0.033 0.000 0.750 218 E HN 0.233 nan 8.360 nan 0.000 0.458 219 A N 1.453 124.257 122.820 -0.026 0.000 1.877 219 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 219 A C 2.107 179.693 177.584 0.003 0.000 1.186 219 A CA 1.672 53.692 52.037 -0.028 0.000 0.620 219 A CB -0.501 18.473 19.000 -0.043 0.000 0.822 219 A HN 0.214 nan 8.150 nan 0.000 0.443 220 E N -0.474 119.737 120.200 0.019 0.000 2.077 220 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 220 E C 2.300 178.914 176.600 0.024 0.000 0.989 220 E CA 0.857 57.278 56.400 0.034 0.000 0.800 220 E CB -0.288 29.434 29.700 0.035 0.000 0.746 220 E HN 0.606 nan 8.360 nan 0.000 0.452 221 A N 1.066 123.893 122.820 0.012 0.000 2.032 221 A HA -0.137 4.183 4.320 -0.000 0.000 0.221 221 A C 2.093 179.682 177.584 0.007 0.000 1.165 221 A CA 1.719 53.761 52.037 0.007 0.000 0.645 221 A CB -0.311 18.689 19.000 -0.000 0.000 0.807 221 A HN 0.262 nan 8.150 nan 0.000 0.453 222 A N -1.192 121.632 122.820 0.006 0.000 2.460 222 A HA 0.344 4.664 4.320 -0.000 0.000 0.258 222 A C 0.553 178.149 177.584 0.021 0.000 1.300 222 A CA 0.086 52.127 52.037 0.006 0.000 0.913 222 A CB -0.363 18.633 19.000 -0.007 0.000 1.031 222 A HN 0.451 nan 8.150 nan 0.000 0.512 223 N N 0.218 118.937 118.700 0.032 0.000 2.727 223 N HA -0.147 4.593 4.740 -0.000 0.000 0.249 223 N C 0.169 175.724 175.510 0.075 0.000 1.048 223 N CA 1.578 54.658 53.050 0.050 0.000 0.714 223 N CB -1.268 37.245 38.487 0.043 0.000 0.959 223 N HN 0.681 nan 8.380 nan 0.000 0.544 224 T N -1.592 113.009 114.554 0.079 0.000 2.591 224 T HA 0.723 5.073 4.350 -0.000 0.000 0.274 224 T C -1.127 173.679 174.700 0.175 0.000 0.945 224 T CA -0.350 61.830 62.100 0.133 0.000 1.087 224 T CB 1.345 70.219 68.868 0.010 0.000 1.416 224 T HN 0.222 nan 8.240 nan 0.000 0.514 225 Y N -1.477 118.819 120.300 -0.005 0.000 2.705 225 Y HA 0.842 5.392 4.550 -0.000 0.000 0.332 225 Y C -1.473 174.424 175.900 -0.006 0.000 1.157 225 Y CA -1.341 56.758 58.100 -0.001 0.000 1.091 225 Y CB 0.802 39.262 38.460 0.000 0.000 1.301 225 Y HN 0.331 nan 8.280 nan 0.000 0.488 226 V N 3.645 123.586 119.914 0.045 0.000 2.417 226 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 226 V C -0.031 176.118 176.094 0.091 0.000 1.024 226 V CA -0.868 61.406 62.300 -0.042 0.000 0.861 226 V CB 1.263 33.087 31.823 0.001 0.000 0.985 226 V HN 0.808 nan 8.190 nan 0.000 0.436 227 M N 3.693 123.293 119.600 0.001 0.000 2.233 227 M HA 0.920 5.400 4.480 -0.000 0.000 0.355 227 M C -0.379 175.970 176.300 0.082 0.000 1.191 227 M CA -0.242 55.114 55.300 0.092 0.000 1.101 227 M CB 1.555 34.199 32.600 0.073 0.000 1.592 227 M HN 0.570 nan 8.290 nan 0.000 0.461 228 A N 1.701 124.589 122.820 0.114 0.000 2.393 228 A HA 0.542 4.862 4.320 -0.000 0.000 0.306 228 A C -1.601 176.088 177.584 0.175 0.000 1.050 228 A CA -0.685 51.434 52.037 0.137 0.000 0.724 228 A CB 0.886 19.950 19.000 0.107 0.000 1.248 228 A HN 1.012 nan 8.150 nan 0.000 0.424 229 H N 1.489 120.625 119.070 0.110 0.000 2.652 229 H HA 0.699 5.255 4.556 -0.000 0.000 0.298 229 H C -0.276 175.034 175.328 -0.030 0.000 1.076 229 H CA 0.426 56.538 56.048 0.106 0.000 1.360 229 H CB 0.837 30.701 29.762 0.169 0.000 1.421 229 H HN 0.934 nan 8.280 nan 0.000 0.464 230 A N 4.660 127.234 122.820 -0.410 0.000 2.547 230 A HA 0.360 4.680 4.320 -0.000 0.000 0.297 230 A C -1.478 175.838 177.584 -0.447 0.000 1.056 230 A CA -0.694 51.138 52.037 -0.342 0.000 0.688 230 A CB 0.651 19.603 19.000 -0.079 0.000 1.282 230 A HN 0.714 nan 8.150 nan 0.000 0.400 231 Y N 0.758 120.969 120.300 -0.149 0.000 2.439 231 Y HA 0.163 4.713 4.550 -0.000 0.000 0.281 231 Y C 2.120 177.990 175.900 -0.051 0.000 1.145 231 Y CA 1.336 59.369 58.100 -0.111 0.000 1.252 231 Y CB -0.288 38.084 38.460 -0.147 0.000 1.271 231 Y HN 0.747 nan 8.280 nan 0.000 0.516 232 T N -1.070 113.560 114.554 0.128 0.000 2.898 232 T HA 0.265 4.615 4.350 -0.000 0.000 0.301 232 T C 1.626 176.355 174.700 0.050 0.000 1.049 232 T CA 0.023 62.163 62.100 0.066 0.000 1.095 232 T CB 1.414 70.308 68.868 0.043 0.000 0.976 232 T HN 0.421 nan 8.240 nan 0.000 0.539 233 G N 1.113 109.933 108.800 0.033 0.000 2.450 233 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.220 233 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.220 233 G C 1.539 176.456 174.900 0.028 0.000 1.130 233 G CA 0.763 45.881 45.100 0.030 0.000 0.760 233 G HN 0.871 nan 8.290 nan 0.000 0.557 234 R N 0.487 121.001 120.500 0.023 0.000 2.070 234 R HA 0.016 4.356 4.340 -0.000 0.000 0.233 234 R C 2.852 179.168 176.300 0.026 0.000 1.137 234 R CA 1.580 57.693 56.100 0.021 0.000 0.945 234 R CB -0.427 29.885 30.300 0.019 0.000 0.845 234 R HN 0.261 nan 8.270 nan 0.000 0.430 235 A N 0.686 123.525 122.820 0.031 0.000 1.972 235 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 235 A C 2.132 179.734 177.584 0.030 0.000 1.169 235 A CA 1.286 53.344 52.037 0.034 0.000 0.635 235 A CB -0.408 18.613 19.000 0.035 0.000 0.810 235 A HN 0.384 nan 8.150 nan 0.000 0.446 236 I N -0.422 120.167 120.570 0.032 0.000 2.252 236 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 236 I C 2.959 179.087 176.117 0.018 0.000 1.102 236 I CA 0.866 62.187 61.300 0.035 0.000 1.385 236 I CB -0.340 37.698 38.000 0.064 0.000 1.064 236 I HN 0.344 nan 8.210 nan 0.000 0.414 237 A N 2.067 124.896 122.820 0.015 0.000 1.849 237 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 237 A C 2.391 179.959 177.584 -0.027 0.000 1.202 237 A CA 2.465 54.499 52.037 -0.006 0.000 0.629 237 A CB -0.913 18.091 19.000 0.007 0.000 0.834 237 A HN 0.505 nan 8.150 nan 0.000 0.447 238 R N -0.384 120.113 120.500 -0.005 0.000 2.127 238 R HA 0.007 4.347 4.340 -0.000 0.000 0.238 238 R C 2.178 178.474 176.300 -0.008 0.000 1.134 238 R CA 1.537 57.636 56.100 -0.003 0.000 0.975 238 R CB -0.795 29.516 30.300 0.017 0.000 0.865 238 R HN 0.368 nan 8.270 nan 0.000 0.447 239 A N 1.576 124.398 122.820 0.003 0.000 1.883 239 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 239 A C 2.442 180.010 177.584 -0.026 0.000 1.186 239 A CA 1.810 53.852 52.037 0.009 0.000 0.624 239 A CB -0.579 18.440 19.000 0.030 0.000 0.822 239 A HN 0.186 nan 8.150 nan 0.000 0.444 240 V N -0.420 119.453 119.914 -0.069 0.000 2.453 240 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 240 V C 2.541 178.461 176.094 -0.290 0.000 1.048 240 V CA 1.940 64.145 62.300 -0.158 0.000 1.049 240 V CB -0.797 30.913 31.823 -0.190 0.000 0.672 240 V HN 0.504 nan 8.190 nan 0.000 0.457 241 R N -0.881 119.476 120.500 -0.237 0.000 2.152 241 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 241 R C 2.064 178.329 176.300 -0.058 0.000 1.117 241 R CA 1.681 57.680 56.100 -0.169 0.000 0.981 241 R CB -0.390 29.866 30.300 -0.073 0.000 0.870 241 R HN 0.480 nan 8.270 nan 0.000 0.451 242 C N -1.131 118.145 119.300 -0.039 0.000 2.594 242 C HA 0.253 4.713 4.460 -0.000 0.000 0.265 242 C C 1.331 176.324 174.990 0.004 0.000 1.351 242 C CA 0.552 59.566 59.018 -0.006 0.000 1.744 242 C CB -0.017 27.723 27.740 0.000 0.000 1.890 242 C HN 0.785 nan 8.230 nan 0.000 0.551 243 G N 0.772 109.569 108.800 -0.004 0.000 2.141 243 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.164 243 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.164 243 G C 0.090 175.020 174.900 0.050 0.000 1.009 243 G CA 0.188 45.306 45.100 0.031 0.000 0.677 243 G HN 0.914 nan 8.290 nan 0.000 0.508 244 V N -1.389 118.549 119.914 0.040 0.000 2.843 244 V HA 0.676 4.796 4.120 -0.000 0.000 0.305 244 V C 1.423 177.582 176.094 0.108 0.000 1.065 244 V CA 0.776 63.123 62.300 0.078 0.000 1.116 244 V CB 1.484 33.347 31.823 0.067 0.000 0.968 244 V HN 0.421 nan 8.190 nan 0.000 0.487 245 R N 2.245 122.852 120.500 0.178 0.000 2.103 245 R HA 0.165 4.505 4.340 -0.000 0.000 0.212 245 R C 0.963 177.394 176.300 0.217 0.000 1.107 245 R CA 0.972 57.185 56.100 0.190 0.000 1.025 245 R CB 0.094 30.500 30.300 0.176 0.000 0.929 245 R HN 0.990 nan 8.270 nan 0.000 0.456 246 T N -0.829 113.851 114.554 0.210 0.000 2.856 246 T HA 0.490 4.840 4.350 -0.000 0.000 0.283 246 T C -0.224 174.547 174.700 0.117 0.000 1.008 246 T CA -0.905 61.294 62.100 0.167 0.000 0.997 246 T CB 1.615 70.538 68.868 0.091 0.000 0.992 246 T HN -0.079 nan 8.240 nan 0.000 0.454 247 I N 3.095 123.707 120.570 0.070 0.000 2.354 247 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 247 I C 0.167 176.283 176.117 -0.003 0.000 0.989 247 I CA -0.770 60.550 61.300 0.034 0.000 1.188 247 I CB 1.585 39.592 38.000 0.012 0.000 1.342 247 I HN 0.741 nan 8.210 nan 0.000 0.457 248 E N 6.733 126.937 120.200 0.007 0.000 2.249 248 E HA 0.315 4.665 4.350 -0.000 0.000 0.280 248 E C 0.461 176.948 176.600 -0.187 0.000 1.016 248 E CA -0.267 56.072 56.400 -0.103 0.000 0.830 248 E CB 1.040 30.765 29.700 0.041 0.000 1.081 248 E HN 0.534 nan 8.360 nan 0.000 0.395 249 H N 2.003 121.032 119.070 -0.069 0.000 1.576 249 H HA -0.291 4.265 4.556 -0.000 0.000 0.090 249 H C 1.010 176.361 175.328 0.038 0.000 0.620 249 H CA 1.339 57.375 56.048 -0.021 0.000 1.887 249 H CB -1.393 28.269 29.762 -0.166 0.000 2.237 249 H HN 0.848 nan 8.280 nan 0.000 0.959 250 G N 1.405 110.296 108.800 0.152 0.000 2.149 250 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.235 250 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.235 250 G C 0.558 175.628 174.900 0.284 0.000 1.018 250 G CA 0.981 46.204 45.100 0.205 0.000 0.728 250 G HN 0.587 nan 8.290 nan 0.000 0.508 251 N N -0.302 118.580 118.700 0.303 0.000 2.443 251 N HA 0.043 4.782 4.740 -0.000 0.000 0.184 251 N C 1.546 177.077 175.510 0.035 0.000 1.037 251 N CA 1.006 54.140 53.050 0.140 0.000 0.896 251 N CB -0.060 38.424 38.487 -0.006 0.000 0.959 251 N HN 0.589 nan 8.380 nan 0.000 0.442 252 L N 0.683 121.947 121.223 0.068 0.000 3.141 252 L HA 0.307 4.647 4.340 -0.000 0.000 0.263 252 L C -0.432 176.433 176.870 -0.008 0.000 1.312 252 L CA -0.495 54.343 54.840 -0.003 0.000 1.012 252 L CB 0.117 42.169 42.059 -0.012 0.000 1.408 252 L HN -0.122 nan 8.230 nan 0.000 0.559 253 V N -1.965 117.927 119.914 -0.036 0.000 2.740 253 V HA 0.129 4.249 4.120 -0.000 0.000 0.303 253 V C 0.183 176.221 176.094 -0.093 0.000 1.054 253 V CA -0.790 61.471 62.300 -0.066 0.000 1.106 253 V CB 0.313 32.019 31.823 -0.195 0.000 0.957 253 V HN 0.419 nan 8.190 nan 0.000 0.486 254 D N 2.546 122.913 120.400 -0.056 0.000 2.432 254 D HA 0.266 4.906 4.640 -0.000 0.000 0.258 254 D C 0.974 177.237 176.300 -0.061 0.000 1.146 254 D CA -0.444 53.520 54.000 -0.059 0.000 1.015 254 D CB 0.655 41.435 40.800 -0.032 0.000 1.107 254 D HN 0.639 nan 8.370 nan 0.000 0.529 255 E N 0.092 120.260 120.200 -0.054 0.000 2.285 255 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 255 E C 1.745 178.343 176.600 -0.004 0.000 0.997 255 E CA 0.755 57.131 56.400 -0.041 0.000 0.845 255 E CB -0.475 29.199 29.700 -0.043 0.000 0.782 255 E HN 0.487 nan 8.360 nan 0.000 0.491 256 A N 2.288 125.109 122.820 0.001 0.000 1.865 256 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 256 A C 2.561 180.168 177.584 0.038 0.000 1.191 256 A CA 2.448 54.497 52.037 0.019 0.000 0.623 256 A CB -0.856 18.153 19.000 0.014 0.000 0.826 256 A HN 0.399 nan 8.150 nan 0.000 0.444 257 A N -0.229 122.612 122.820 0.035 0.000 1.858 257 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 257 A C 2.567 180.206 177.584 0.092 0.000 1.190 257 A CA 2.309 54.379 52.037 0.055 0.000 0.617 257 A CB -1.261 17.769 19.000 0.050 0.000 0.827 257 A HN 1.205 nan 8.150 nan 0.000 0.443 258 A N -0.182 122.693 122.820 0.093 0.000 1.903 258 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 258 A C 2.160 179.832 177.584 0.147 0.000 1.191 258 A CA 2.364 54.490 52.037 0.149 0.000 0.638 258 A CB -0.586 18.449 19.000 0.058 0.000 0.823 258 A HN 0.577 nan 8.150 nan 0.000 0.451 259 K N -0.975 119.486 120.400 0.102 0.000 2.032 259 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 259 K C 1.955 178.652 176.600 0.161 0.000 1.048 259 K CA 1.684 58.042 56.287 0.120 0.000 0.927 259 K CB -0.311 32.234 32.500 0.075 0.000 0.712 259 K HN 0.367 nan 8.250 nan 0.000 0.441 260 L N 1.166 122.470 121.223 0.135 0.000 2.083 260 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 260 L C 2.275 179.264 176.870 0.198 0.000 1.083 260 L CA 1.521 56.461 54.840 0.166 0.000 0.752 260 L CB -0.280 41.843 42.059 0.106 0.000 0.899 260 L HN 0.283 nan 8.230 nan 0.000 0.433 261 M N -1.465 118.219 119.600 0.140 0.000 2.080 261 M HA -0.280 4.200 4.480 -0.000 0.000 0.260 261 M C 2.367 178.733 176.300 0.109 0.000 1.068 261 M CA 2.140 57.509 55.300 0.114 0.000 1.109 261 M CB -0.423 32.249 32.600 0.121 0.000 1.342 261 M HN 0.532 nan 8.290 nan 0.000 0.405 262 H N 0.013 119.115 119.070 0.052 0.000 2.290 262 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 262 H C 1.732 177.058 175.328 -0.003 0.000 1.087 262 H CA 2.464 58.516 56.048 0.007 0.000 1.291 262 H CB -0.196 29.576 29.762 0.015 0.000 1.369 262 H HN 0.402 nan 8.280 nan 0.000 0.492 263 E N -0.762 119.349 120.200 -0.150 0.000 2.065 263 E HA -0.266 4.084 4.350 -0.000 0.000 0.201 263 E C 1.943 178.413 176.600 -0.217 0.000 1.016 263 E CA 1.894 58.170 56.400 -0.206 0.000 0.818 263 E CB -0.171 29.499 29.700 -0.050 0.000 0.749 263 E HN 0.684 nan 8.360 nan 0.000 0.453 264 H N -1.669 117.327 119.070 -0.122 0.000 2.559 264 H HA 0.117 4.673 4.556 -0.000 0.000 0.273 264 H C 1.008 176.261 175.328 -0.125 0.000 1.000 264 H CA 0.884 56.877 56.048 -0.091 0.000 1.195 264 H CB 0.493 30.231 29.762 -0.040 0.000 1.368 264 H HN 0.366 nan 8.280 nan 0.000 0.592 265 G N -0.334 108.401 108.800 -0.107 0.000 2.149 265 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.235 265 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.235 265 G C 0.172 174.925 174.900 -0.246 0.000 1.018 265 G CA 0.133 45.105 45.100 -0.212 0.000 0.728 265 G HN 0.669 nan 8.290 nan 0.000 0.508 266 A N -0.283 122.455 122.820 -0.137 0.000 2.301 266 A HA 0.818 5.137 4.320 -0.000 0.000 0.298 266 A C 0.331 177.825 177.584 -0.150 0.000 1.185 266 A CA -0.489 51.511 52.037 -0.061 0.000 0.830 266 A CB 0.475 19.489 19.000 0.024 0.000 1.112 266 A HN 0.533 nan 8.150 nan 0.000 0.508 267 F N 1.176 121.091 119.950 -0.059 0.000 2.390 267 F HA 0.470 4.997 4.527 0.000 0.000 0.307 267 F C 0.563 176.281 175.800 -0.136 0.000 1.227 267 F CA -0.172 57.776 58.000 -0.088 0.000 1.179 267 F CB 0.789 39.734 39.000 -0.092 0.000 1.280 267 F HN 0.317 nan 8.300 nan 0.000 0.548 268 V N 0.443 120.360 119.914 0.005 0.000 2.789 268 V HA 0.478 4.598 4.120 -0.000 0.000 0.311 268 V C -0.834 175.203 176.094 -0.094 0.000 1.073 268 V CA -0.934 61.264 62.300 -0.170 0.000 0.921 268 V CB 1.742 33.194 31.823 -0.617 0.000 1.009 268 V HN 0.450 nan 8.190 nan 0.000 0.426 269 V N 4.528 124.389 119.914 -0.088 0.000 2.276 269 V HA 0.347 4.467 4.120 -0.000 0.000 0.268 269 V C -2.445 173.571 176.094 -0.131 0.000 1.032 269 V CA -1.633 60.619 62.300 -0.080 0.000 0.810 269 V CB 1.072 32.877 31.823 -0.030 0.000 1.060 269 V HN 0.731 nan 8.190 nan 0.000 0.446 270 P HA 0.264 nan 4.420 nan 0.000 0.272 270 P C 0.232 177.472 177.300 -0.099 0.000 1.230 270 P CA 0.098 63.179 63.100 -0.031 0.000 0.788 270 P CB 0.474 32.196 31.700 0.037 0.000 0.949 271 T N -1.842 112.723 114.554 0.018 0.000 3.658 271 T HA 0.323 4.673 4.350 -0.000 0.000 0.245 271 T C 0.833 175.587 174.700 0.090 0.000 1.292 271 T CA -0.447 61.616 62.100 -0.062 0.000 1.598 271 T CB -1.036 67.734 68.868 -0.165 0.000 0.861 271 T HN 0.076 nan 8.240 nan 0.000 0.663 272 L N 0.422 121.703 121.223 0.096 0.000 2.109 272 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 272 L C 2.763 179.719 176.870 0.142 0.000 1.086 272 L CA 0.679 55.659 54.840 0.232 0.000 0.760 272 L CB -0.528 41.604 42.059 0.121 0.000 0.910 272 L HN 0.454 nan 8.230 nan 0.000 0.437 273 V N -0.384 119.529 119.914 -0.002 0.000 2.380 273 V HA -0.368 3.752 4.120 -0.000 0.000 0.251 273 V C 2.568 178.639 176.094 -0.038 0.000 1.063 273 V CA 2.708 65.001 62.300 -0.010 0.000 1.055 273 V CB -0.226 31.596 31.823 -0.001 0.000 0.657 273 V HN 0.534 nan 8.190 nan 0.000 0.455 274 T N -1.240 113.228 114.554 -0.142 0.000 2.867 274 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 274 T C 1.509 176.062 174.700 -0.245 0.000 1.057 274 T CA 1.967 63.933 62.100 -0.224 0.000 1.136 274 T CB -0.312 68.351 68.868 -0.342 0.000 0.874 274 T HN 0.745 nan 8.240 nan 0.000 0.466 275 Y N 1.079 121.391 120.300 0.020 0.000 2.457 275 Y HA 0.104 4.654 4.550 -0.000 0.000 0.292 275 Y C 2.319 178.196 175.900 -0.039 0.000 1.125 275 Y CA 0.379 58.477 58.100 -0.004 0.000 1.254 275 Y CB -0.242 38.212 38.460 -0.010 0.000 1.012 275 Y HN 0.223 nan 8.280 nan 0.000 0.555 276 D N -0.142 120.297 120.400 0.065 0.000 2.162 276 D HA -0.058 4.582 4.640 -0.000 0.000 0.203 276 D C 2.249 178.475 176.300 -0.124 0.000 0.967 276 D CA 1.253 55.232 54.000 -0.034 0.000 0.840 276 D CB -0.371 40.398 40.800 -0.053 0.000 0.972 276 D HN 0.289 nan 8.370 nan 0.000 0.482 277 A N 0.428 123.177 122.820 -0.119 0.000 1.929 277 A HA -0.031 4.288 4.320 -0.000 0.000 0.216 277 A C 2.192 179.781 177.584 0.009 0.000 1.176 277 A CA 0.687 52.667 52.037 -0.095 0.000 0.628 277 A CB -0.591 18.423 19.000 0.023 0.000 0.816 277 A HN 0.197 nan 8.150 nan 0.000 0.444 278 L N -0.984 120.246 121.223 0.011 0.000 2.478 278 L HA -0.033 4.307 4.340 -0.000 0.000 0.223 278 L C 2.860 179.722 176.870 -0.013 0.000 1.140 278 L CA 0.492 55.351 54.840 0.032 0.000 0.842 278 L CB -0.339 41.746 42.059 0.044 0.000 0.953 278 L HN 0.457 nan 8.230 nan 0.000 0.452 279 A N 0.406 123.196 122.820 -0.050 0.000 1.841 279 A HA -0.197 4.123 4.320 -0.000 0.000 0.214 279 A C 2.274 179.752 177.584 -0.177 0.000 1.195 279 A CA 1.547 53.532 52.037 -0.088 0.000 0.611 279 A CB -0.232 18.719 19.000 -0.082 0.000 0.835 279 A HN 0.147 nan 8.150 nan 0.000 0.443 280 K N -0.508 119.696 120.400 -0.326 0.000 2.007 280 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 280 K C 0.714 176.936 176.600 -0.630 0.000 1.047 280 K CA 1.487 57.413 56.287 -0.601 0.000 0.937 280 K CB -0.073 31.808 32.500 -1.031 0.000 0.718 280 K HN 0.684 nan 8.250 nan 0.000 0.438 281 H N -1.472 117.535 119.070 -0.104 0.000 2.502 281 H HA 0.313 4.869 4.556 -0.000 0.000 0.268 281 H C 0.991 176.249 175.328 -0.118 0.000 1.177 281 H CA 0.116 56.029 56.048 -0.225 0.000 0.961 281 H CB 0.358 29.917 29.762 -0.339 0.000 1.737 281 H HN 0.242 nan 8.280 nan 0.000 0.569 282 G N 1.160 109.951 108.800 -0.015 0.000 2.679 282 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 282 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 282 G C 1.672 176.590 174.900 0.031 0.000 1.315 282 G CA 0.906 46.024 45.100 0.030 0.000 0.836 282 G HN 0.427 nan 8.290 nan 0.000 0.580 283 A N 0.071 122.890 122.820 -0.001 0.000 2.178 283 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 283 A C 2.091 179.670 177.584 -0.008 0.000 1.157 283 A CA 1.957 53.996 52.037 0.002 0.000 0.689 283 A CB -0.384 18.611 19.000 -0.008 0.000 0.787 283 A HN 0.580 nan 8.150 nan 0.000 0.465 284 E N -1.218 118.947 120.200 -0.059 0.000 2.107 284 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 284 E C 0.347 176.890 176.600 -0.095 0.000 0.982 284 E CA 0.828 57.143 56.400 -0.141 0.000 0.809 284 E CB -0.081 29.446 29.700 -0.288 0.000 0.756 284 E HN 0.551 nan 8.360 nan 0.000 0.459 285 F N -0.259 119.724 119.950 0.054 0.000 2.645 285 F HA 0.331 4.858 4.527 0.000 0.000 0.300 285 F C 1.217 177.019 175.800 0.003 0.000 1.115 285 F CA 0.480 58.497 58.000 0.028 0.000 1.355 285 F CB 0.876 39.897 39.000 0.035 0.000 1.026 285 F HN 0.170 nan 8.300 nan 0.000 0.536 286 G N 0.705 109.602 108.800 0.161 0.000 2.130 286 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 286 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 286 G C 0.304 175.234 174.900 0.050 0.000 0.999 286 G CA -0.091 45.060 45.100 0.085 0.000 0.686 286 G HN 0.301 nan 8.290 nan 0.000 0.515 287 M N 1.941 121.577 119.600 0.059 0.000 2.108 287 M HA 0.431 4.911 4.480 -0.000 0.000 0.354 287 M C -1.816 174.501 176.300 0.029 0.000 1.229 287 M CA -1.981 53.339 55.300 0.033 0.000 1.081 287 M CB 0.851 33.477 32.600 0.043 0.000 1.606 287 M HN -0.040 nan 8.290 nan 0.000 0.467 288 P HA -0.027 nan 4.420 nan 0.000 0.263 288 P C -2.438 174.877 177.300 0.026 0.000 1.162 288 P CA -0.568 62.547 63.100 0.024 0.000 0.758 288 P CB -0.360 31.358 31.700 0.030 0.000 0.773 289 P HA -0.171 nan 4.420 nan 0.000 0.219 289 P C 1.234 178.543 177.300 0.016 0.000 1.146 289 P CA 1.436 64.545 63.100 0.014 0.000 0.808 289 P CB -0.080 31.626 31.700 0.009 0.000 0.779 290 E N -1.147 119.066 120.200 0.022 0.000 2.478 290 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 290 E C 1.310 177.930 176.600 0.033 0.000 1.045 290 E CA 0.599 57.013 56.400 0.023 0.000 0.868 290 E CB -0.541 29.173 29.700 0.023 0.000 0.885 290 E HN 0.085 nan 8.360 nan 0.000 0.505 291 S N 0.505 116.231 115.700 0.043 0.000 2.406 291 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 291 S C 1.917 176.547 174.600 0.049 0.000 1.030 291 S CA 0.807 59.043 58.200 0.060 0.000 0.958 291 S CB 0.155 63.399 63.200 0.073 0.000 0.811 291 S HN 0.275 nan 8.310 nan 0.000 0.489 292 V N 1.567 121.502 119.914 0.034 0.000 3.141 292 V HA 0.069 4.189 4.120 -0.000 0.000 0.265 292 V C 2.329 178.428 176.094 0.008 0.000 1.126 292 V CA 1.064 63.378 62.300 0.023 0.000 1.141 292 V CB -1.388 30.442 31.823 0.012 0.000 0.743 292 V HN 0.436 nan 8.190 nan 0.000 0.492 293 A N 0.563 123.387 122.820 0.007 0.000 1.898 293 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 293 A C 2.320 179.895 177.584 -0.014 0.000 1.181 293 A CA 1.660 53.694 52.037 -0.005 0.000 0.620 293 A CB -0.381 18.618 19.000 -0.003 0.000 0.819 293 A HN 0.497 nan 8.150 nan 0.000 0.442 294 K N -0.663 119.733 120.400 -0.006 0.000 2.365 294 K HA 0.062 4.381 4.320 -0.000 0.000 0.199 294 K C 1.507 178.078 176.600 -0.049 0.000 1.045 294 K CA 0.704 56.974 56.287 -0.028 0.000 0.962 294 K CB -0.037 32.459 32.500 -0.006 0.000 0.759 294 K HN 0.276 nan 8.250 nan 0.000 0.469 295 V N 0.633 120.541 119.914 -0.009 0.000 3.129 295 V HA -0.072 4.048 4.120 -0.000 0.000 0.259 295 V C 1.928 178.002 176.094 -0.032 0.000 1.116 295 V CA 1.270 63.581 62.300 0.018 0.000 1.127 295 V CB -0.040 31.833 31.823 0.083 0.000 0.742 295 V HN 0.297 nan 8.190 nan 0.000 0.474 296 A N 0.441 123.232 122.820 -0.048 0.000 1.908 296 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 296 A C 2.531 180.056 177.584 -0.099 0.000 1.181 296 A CA 2.463 54.463 52.037 -0.062 0.000 0.627 296 A CB -0.715 18.253 19.000 -0.053 0.000 0.818 296 A HN 0.769 nan 8.150 nan 0.000 0.445 297 S N -0.331 115.292 115.700 -0.130 0.000 2.425 297 S HA -0.057 4.413 4.470 -0.000 0.000 0.225 297 S C 1.660 176.122 174.600 -0.231 0.000 1.024 297 S CA 1.183 59.288 58.200 -0.159 0.000 0.951 297 S CB -0.873 62.237 63.200 -0.151 0.000 0.796 297 S HN 0.687 nan 8.310 nan 0.000 0.498 298 V N 1.488 121.201 119.914 -0.335 0.000 2.788 298 V HA -0.046 4.074 4.120 -0.000 0.000 0.251 298 V C 2.561 178.353 176.094 -0.504 0.000 1.068 298 V CA 1.042 63.034 62.300 -0.514 0.000 1.090 298 V CB -1.526 29.792 31.823 -0.842 0.000 0.710 298 V HN 0.669 nan 8.190 nan 0.000 0.467 299 Q N 0.054 119.627 119.800 -0.378 0.000 2.311 299 Q HA -0.082 4.258 4.340 -0.000 0.000 0.203 299 Q C 2.020 177.932 176.000 -0.147 0.000 0.954 299 Q CA 0.772 56.430 55.803 -0.242 0.000 0.885 299 Q CB -0.403 28.282 28.738 -0.087 0.000 0.963 299 Q HN 0.556 nan 8.270 nan 0.000 0.471 300 Q N 1.984 121.698 119.800 -0.143 0.000 1.895 300 Q HA -0.169 4.171 4.340 -0.000 0.000 0.217 300 Q C 1.719 177.659 176.000 -0.100 0.000 1.003 300 Q CA 1.705 57.445 55.803 -0.105 0.000 0.871 300 Q CB -0.503 28.173 28.738 -0.103 0.000 0.941 300 Q HN 0.263 nan 8.270 nan 0.000 0.421 301 K N 0.627 120.956 120.400 -0.117 0.000 2.574 301 K HA -0.018 4.302 4.320 -0.000 0.000 0.193 301 K C 1.793 178.338 176.600 -0.092 0.000 1.035 301 K CA 0.639 56.865 56.287 -0.101 0.000 0.982 301 K CB -0.673 31.763 32.500 -0.106 0.000 0.795 301 K HN 0.426 nan 8.250 nan 0.000 0.491 302 G N 0.537 109.273 108.800 -0.106 0.000 2.480 302 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 302 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 302 G C 1.512 176.404 174.900 -0.014 0.000 1.200 302 G CA 0.618 45.673 45.100 -0.074 0.000 0.782 302 G HN 0.271 nan 8.290 nan 0.000 0.554 303 R N -0.028 120.463 120.500 -0.015 0.000 2.148 303 R HA 0.068 4.408 4.340 -0.000 0.000 0.223 303 R C 2.478 178.773 176.300 -0.007 0.000 1.088 303 R CA 0.910 57.012 56.100 0.004 0.000 0.985 303 R CB -0.171 30.132 30.300 0.005 0.000 0.880 303 R HN 0.537 nan 8.270 nan 0.000 0.451 304 E N 0.416 120.596 120.200 -0.032 0.000 2.077 304 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 304 E C 1.770 178.324 176.600 -0.077 0.000 0.989 304 E CA 1.685 58.055 56.400 -0.050 0.000 0.800 304 E CB 0.087 29.750 29.700 -0.061 0.000 0.746 304 E HN 0.322 nan 8.360 nan 0.000 0.452 305 S N 0.556 116.201 115.700 -0.093 0.000 2.370 305 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 305 S C 2.031 176.536 174.600 -0.160 0.000 1.033 305 S CA 0.972 59.053 58.200 -0.198 0.000 1.011 305 S CB -0.537 62.580 63.200 -0.139 0.000 0.852 305 S HN 0.195 nan 8.310 nan 0.000 0.457 306 L N 2.047 123.300 121.223 0.049 0.000 2.064 306 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 306 L C 2.735 179.660 176.870 0.091 0.000 1.077 306 L CA 1.965 56.893 54.840 0.147 0.000 0.766 306 L CB -1.111 41.009 42.059 0.101 0.000 0.890 306 L HN 0.440 nan 8.230 nan 0.000 0.435 307 E N -0.855 119.353 120.200 0.013 0.000 2.047 307 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 307 E C 2.299 178.877 176.600 -0.038 0.000 0.987 307 E CA 1.303 57.700 56.400 -0.005 0.000 0.799 307 E CB -0.158 29.528 29.700 -0.022 0.000 0.752 307 E HN 0.460 nan 8.360 nan 0.000 0.449 308 I N 0.358 120.852 120.570 -0.126 0.000 2.264 308 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 308 I C 1.963 177.997 176.117 -0.138 0.000 1.111 308 I CA 1.117 62.308 61.300 -0.181 0.000 1.382 308 I CB -0.316 37.506 38.000 -0.296 0.000 1.060 308 I HN 0.157 nan 8.210 nan 0.000 0.418 309 Y N 0.851 121.153 120.300 0.004 0.000 2.163 309 Y HA -0.161 4.389 4.550 -0.000 0.000 0.288 309 Y C 2.708 178.607 175.900 -0.001 0.000 1.136 309 Y CA 0.905 59.011 58.100 0.010 0.000 1.147 309 Y CB -1.183 37.291 38.460 0.024 0.000 0.987 309 Y HN 0.093 nan 8.280 nan 0.000 0.509 310 A N 0.491 123.402 122.820 0.152 0.000 1.908 310 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 310 A C 2.150 179.749 177.584 0.025 0.000 1.181 310 A CA 2.075 54.159 52.037 0.078 0.000 0.627 310 A CB -0.785 18.251 19.000 0.061 0.000 0.818 310 A HN 0.437 nan 8.150 nan 0.000 0.445 311 N N 0.317 119.020 118.700 0.005 0.000 2.084 311 N HA -0.092 4.648 4.740 -0.000 0.000 0.190 311 N C 1.757 177.233 175.510 -0.057 0.000 1.030 311 N CA 1.713 54.746 53.050 -0.028 0.000 0.849 311 N CB -0.592 37.874 38.487 -0.035 0.000 1.012 311 N HN 0.457 nan 8.380 nan 0.000 0.423 312 A N -0.113 122.682 122.820 -0.041 0.000 2.168 312 A HA 0.295 4.615 4.320 -0.000 0.000 0.215 312 A C 1.221 178.681 177.584 -0.207 0.000 1.152 312 A CA 0.959 52.946 52.037 -0.084 0.000 0.716 312 A CB -0.583 18.428 19.000 0.017 0.000 0.794 312 A HN 0.371 nan 8.150 nan 0.000 0.465 313 G N -0.903 107.836 108.800 -0.101 0.000 2.326 313 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.286 313 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.286 313 G C -0.213 174.726 174.900 0.066 0.000 1.096 313 G CA 0.109 45.156 45.100 -0.089 0.000 1.003 313 G HN 0.911 nan 8.290 nan 0.000 0.503 314 V N 0.300 120.275 119.914 0.102 0.000 2.347 314 V HA 0.407 4.527 4.120 -0.000 0.000 0.280 314 V C 0.774 176.877 176.094 0.015 0.000 1.021 314 V CA -1.135 61.218 62.300 0.088 0.000 0.847 314 V CB 1.520 33.422 31.823 0.132 0.000 0.990 314 V HN 0.434 nan 8.190 nan 0.000 0.444 315 K N 4.502 124.871 120.400 -0.051 0.000 2.485 315 K HA 0.312 4.632 4.320 -0.000 0.000 0.277 315 K C -0.330 176.306 176.600 0.060 0.000 0.990 315 K CA 0.810 57.099 56.287 0.004 0.000 0.994 315 K CB 0.282 32.761 32.500 -0.035 0.000 0.906 315 K HN 0.596 nan 8.250 nan 0.000 0.488 316 M N 1.754 121.408 119.600 0.089 0.000 2.259 316 M HA 0.341 4.821 4.480 -0.000 0.000 0.304 316 M C 0.086 176.444 176.300 0.097 0.000 1.019 316 M CA -0.637 54.693 55.300 0.051 0.000 0.922 316 M CB 2.312 34.929 32.600 0.029 0.000 1.600 316 M HN 0.763 nan 8.290 nan 0.000 0.433 317 G N 1.408 110.254 108.800 0.076 0.000 2.521 317 G HA2 0.611 4.571 3.960 -0.000 0.000 0.323 317 G HA3 0.611 4.571 3.960 -0.000 0.000 0.323 317 G C -1.623 173.337 174.900 0.100 0.000 1.211 317 G CA -0.501 44.656 45.100 0.095 0.000 0.979 317 G HN 0.600 nan 8.290 nan 0.000 0.490 318 F N 0.849 120.795 119.950 -0.006 0.000 2.445 318 F HA 0.556 5.083 4.527 -0.000 0.000 0.359 318 F C 0.604 176.385 175.800 -0.031 0.000 1.101 318 F CA 0.022 57.997 58.000 -0.042 0.000 1.177 318 F CB 0.931 39.896 39.000 -0.058 0.000 1.110 318 F HN 0.481 nan 8.300 nan 0.000 0.522 319 G N 3.555 112.101 108.800 -0.425 0.000 2.687 319 G HA2 0.412 4.372 3.960 -0.000 0.000 0.301 319 G HA3 0.412 4.372 3.960 -0.000 0.000 0.301 319 G C -0.377 174.274 174.900 -0.416 0.000 1.416 319 G CA -0.141 44.803 45.100 -0.261 0.000 1.005 319 G HN 0.757 nan 8.290 nan 0.000 0.509 320 S N 1.618 117.199 115.700 -0.198 0.000 2.297 320 S HA 0.153 4.623 4.470 -0.000 0.000 0.200 320 S C 0.859 175.418 174.600 -0.069 0.000 1.011 320 S CA 1.114 59.237 58.200 -0.127 0.000 0.938 320 S CB -0.187 63.010 63.200 -0.006 0.000 0.924 320 S HN 0.828 nan 8.310 nan 0.000 0.504 321 D N 0.313 120.763 120.400 0.084 0.000 2.809 321 D HA -0.099 4.541 4.640 -0.000 0.000 0.234 321 D C -1.018 175.365 176.300 0.138 0.000 1.111 321 D CA 0.259 54.380 54.000 0.202 0.000 0.726 321 D CB -1.995 38.805 40.800 0.001 0.000 1.089 321 D HN 0.473 nan 8.370 nan 0.000 0.436 322 L N 0.031 121.351 121.223 0.162 0.000 2.357 322 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 322 L C 0.611 177.412 176.870 -0.114 0.000 1.080 322 L CA -0.727 54.158 54.840 0.076 0.000 0.803 322 L CB 1.117 43.274 42.059 0.163 0.000 1.174 322 L HN 0.019 nan 8.230 nan 0.000 0.443 323 L N 1.784 122.870 121.223 -0.228 0.000 2.362 323 L HA 0.772 5.112 4.340 -0.000 0.000 0.271 323 L C 0.758 177.379 176.870 -0.416 0.000 1.002 323 L CA -0.577 54.064 54.840 -0.332 0.000 0.818 323 L CB 1.523 43.487 42.059 -0.157 0.000 1.298 323 L HN 0.842 nan 8.230 nan 0.000 0.420 324 G N 1.921 110.441 108.800 -0.466 0.000 2.547 324 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.271 324 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.271 324 G C 0.744 175.417 174.900 -0.379 0.000 1.209 324 G CA 0.405 45.298 45.100 -0.346 0.000 0.959 324 G HN 0.846 nan 8.290 nan 0.000 0.563 325 E N 0.339 120.278 120.200 -0.435 0.000 2.268 325 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 325 E C 2.545 178.959 176.600 -0.310 0.000 0.995 325 E CA 1.450 57.593 56.400 -0.429 0.000 0.836 325 E CB -0.271 29.009 29.700 -0.699 0.000 0.763 325 E HN 0.675 nan 8.360 nan 0.000 0.491 326 M N 0.729 120.209 119.600 -0.201 0.000 2.706 326 M HA -0.077 4.403 4.480 -0.000 0.000 0.253 326 M C 1.435 177.780 176.300 0.075 0.000 1.063 326 M CA 0.848 56.217 55.300 0.115 0.000 1.067 326 M CB -0.588 32.176 32.600 0.274 0.000 1.423 326 M HN 0.218 nan 8.290 nan 0.000 0.530 327 H N -0.475 118.563 119.070 -0.052 0.000 2.456 327 H HA -0.067 4.488 4.556 -0.000 0.000 0.296 327 H C 2.192 177.464 175.328 -0.093 0.000 1.079 327 H CA 0.843 56.862 56.048 -0.049 0.000 1.322 327 H CB 0.238 29.961 29.762 -0.065 0.000 1.388 327 H HN 0.507 nan 8.280 nan 0.000 0.538 328 A N 0.585 123.330 122.820 -0.125 0.000 1.978 328 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 328 A C 1.496 178.955 177.584 -0.208 0.000 1.170 328 A CA 1.128 53.008 52.037 -0.262 0.000 0.636 328 A CB -0.828 17.878 19.000 -0.490 0.000 0.810 328 A HN 0.399 nan 8.150 nan 0.000 0.448 329 F N -0.065 119.955 119.950 0.116 0.000 2.725 329 F HA 0.044 4.571 4.527 0.000 0.000 0.303 329 F C 2.111 177.995 175.800 0.140 0.000 1.167 329 F CA 0.545 58.620 58.000 0.126 0.000 1.403 329 F CB -0.193 38.878 39.000 0.119 0.000 1.077 329 F HN 0.369 nan 8.300 nan 0.000 0.537 330 Q N 0.359 120.305 119.800 0.245 0.000 2.096 330 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 330 Q C 1.907 178.113 176.000 0.345 0.000 0.982 330 Q CA 2.012 57.941 55.803 0.210 0.000 0.850 330 Q CB 0.006 28.784 28.738 0.066 0.000 0.901 330 Q HN 0.318 nan 8.270 nan 0.000 0.422 331 S N -0.586 115.363 115.700 0.415 0.000 2.562 331 S HA 0.050 4.520 4.470 -0.000 0.000 0.221 331 S C 1.550 176.438 174.600 0.480 0.000 0.975 331 S CA 0.448 58.978 58.200 0.550 0.000 0.918 331 S CB 0.338 63.847 63.200 0.515 0.000 0.772 331 S HN 0.588 nan 8.310 nan 0.000 0.531 332 G N 1.635 110.648 108.800 0.354 0.000 2.509 332 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.218 332 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.218 332 G C 1.183 176.211 174.900 0.212 0.000 1.124 332 G CA 0.675 45.941 45.100 0.277 0.000 0.776 332 G HN 0.536 nan 8.290 nan 0.000 0.547 333 E N -0.009 120.285 120.200 0.157 0.000 2.204 333 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 333 E C 1.836 178.502 176.600 0.111 0.000 0.989 333 E CA 0.521 56.904 56.400 -0.028 0.000 0.824 333 E CB -0.334 29.085 29.700 -0.467 0.000 0.756 333 E HN 0.367 nan 8.360 nan 0.000 0.477 334 F N 0.676 120.837 119.950 0.352 0.000 2.091 334 F HA -0.126 4.400 4.527 -0.000 0.000 0.299 334 F C 2.535 178.412 175.800 0.128 0.000 1.103 334 F CA 1.650 59.802 58.000 0.253 0.000 1.228 334 F CB -0.524 38.557 39.000 0.135 0.000 0.984 334 F HN 0.012 nan 8.300 nan 0.000 0.477 335 R N 0.209 120.899 120.500 0.316 0.000 2.066 335 R HA -0.112 4.227 4.340 -0.000 0.000 0.232 335 R C 2.295 178.677 176.300 0.136 0.000 1.131 335 R CA 1.529 57.741 56.100 0.186 0.000 0.955 335 R CB -0.513 29.879 30.300 0.155 0.000 0.851 335 R HN 0.239 nan 8.270 nan 0.000 0.432 336 I N 0.124 120.766 120.570 0.119 0.000 2.264 336 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 336 I C 2.368 178.531 176.117 0.076 0.000 1.111 336 I CA 1.442 62.789 61.300 0.078 0.000 1.382 336 I CB -0.212 37.821 38.000 0.054 0.000 1.060 336 I HN 0.176 nan 8.210 nan 0.000 0.418 337 R N 0.503 121.060 120.500 0.096 0.000 2.075 337 R HA 0.011 4.351 4.340 -0.000 0.000 0.226 337 R C 2.508 178.871 176.300 0.104 0.000 1.114 337 R CA 1.177 57.335 56.100 0.097 0.000 0.972 337 R CB -0.386 29.981 30.300 0.113 0.000 0.869 337 R HN 0.317 nan 8.270 nan 0.000 0.437 338 A N 1.369 124.265 122.820 0.126 0.000 1.978 338 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 338 A C 1.748 179.375 177.584 0.070 0.000 1.170 338 A CA 1.479 53.575 52.037 0.099 0.000 0.636 338 A CB -0.333 18.727 19.000 0.101 0.000 0.810 338 A HN 0.332 nan 8.150 nan 0.000 0.448 339 E N -0.854 119.387 120.200 0.067 0.000 2.338 339 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 339 E C 1.558 178.183 176.600 0.042 0.000 1.007 339 E CA 1.060 57.490 56.400 0.049 0.000 0.849 339 E CB 0.029 29.757 29.700 0.046 0.000 0.774 339 E HN 0.505 nan 8.360 nan 0.000 0.506 340 V N 0.053 119.996 119.914 0.048 0.000 2.911 340 V HA 0.101 4.221 4.120 -0.000 0.000 0.237 340 V C 0.687 176.806 176.094 0.043 0.000 1.156 340 V CA 0.395 62.719 62.300 0.040 0.000 1.180 340 V CB 0.143 31.991 31.823 0.041 0.000 0.932 340 V HN 0.040 nan 8.190 nan 0.000 0.483 341 L N -0.164 121.092 121.223 0.055 0.000 2.313 341 L HA 0.807 5.147 4.340 -0.000 0.000 0.268 341 L C 0.796 177.699 176.870 0.056 0.000 1.010 341 L CA -0.640 54.233 54.840 0.055 0.000 0.814 341 L CB 0.543 42.642 42.059 0.066 0.000 1.304 341 L HN 0.172 nan 8.230 nan 0.000 0.441 342 G N 0.244 109.073 108.800 0.048 0.000 2.562 342 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.233 342 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.233 342 G C 0.691 175.623 174.900 0.054 0.000 1.266 342 G CA -0.255 44.871 45.100 0.043 0.000 0.852 342 G HN 0.903 nan 8.290 nan 0.000 0.581 343 N N 1.421 120.148 118.700 0.045 0.000 2.571 343 N HA -0.080 4.660 4.740 -0.000 0.000 0.189 343 N C 1.715 177.243 175.510 0.031 0.000 1.154 343 N CA 0.167 53.244 53.050 0.045 0.000 0.907 343 N CB -0.013 38.489 38.487 0.025 0.000 0.977 343 N HN 0.439 nan 8.380 nan 0.000 0.449 344 L N 0.144 121.386 121.223 0.031 0.000 2.005 344 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 344 L C 2.224 179.128 176.870 0.056 0.000 1.072 344 L CA 1.762 56.620 54.840 0.031 0.000 0.744 344 L CB -0.230 41.844 42.059 0.026 0.000 0.895 344 L HN 0.103 nan 8.230 nan 0.000 0.433 345 E N 0.176 120.416 120.200 0.067 0.000 2.085 345 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 345 E C 2.053 178.728 176.600 0.125 0.000 0.994 345 E CA 1.612 58.064 56.400 0.086 0.000 0.801 345 E CB -0.243 29.504 29.700 0.079 0.000 0.743 345 E HN 0.510 nan 8.360 nan 0.000 0.453 346 A N 0.299 123.206 122.820 0.145 0.000 1.892 346 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 346 A C 2.305 180.068 177.584 0.299 0.000 1.188 346 A CA 1.750 53.931 52.037 0.240 0.000 0.631 346 A CB -0.836 18.318 19.000 0.257 0.000 0.822 346 A HN 0.334 nan 8.150 nan 0.000 0.447 347 L N -1.551 119.769 121.223 0.162 0.000 2.217 347 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 347 L C 2.820 179.769 176.870 0.132 0.000 1.107 347 L CA 0.753 55.656 54.840 0.105 0.000 0.783 347 L CB -0.383 41.663 42.059 -0.021 0.000 0.919 347 L HN 0.343 nan 8.230 nan 0.000 0.442 348 R N -0.109 120.463 120.500 0.120 0.000 2.092 348 R HA -0.140 4.200 4.340 -0.000 0.000 0.231 348 R C 2.629 179.011 176.300 0.136 0.000 1.119 348 R CA 1.647 57.813 56.100 0.110 0.000 0.970 348 R CB -0.383 29.971 30.300 0.091 0.000 0.864 348 R HN 0.466 nan 8.270 nan 0.000 0.440 349 S N 0.372 116.174 115.700 0.171 0.000 2.400 349 S HA -0.106 4.364 4.470 -0.000 0.000 0.232 349 S C 1.770 176.496 174.600 0.210 0.000 1.025 349 S CA 1.256 59.571 58.200 0.191 0.000 0.993 349 S CB 0.039 63.371 63.200 0.220 0.000 0.808 349 S HN 0.329 nan 8.310 nan 0.000 0.478 350 A N 0.572 123.512 122.820 0.201 0.000 2.423 350 A HA 0.496 4.816 4.320 -0.000 0.000 0.246 350 A C 1.523 179.195 177.584 0.148 0.000 1.278 350 A CA 0.471 52.581 52.037 0.121 0.000 0.903 350 A CB -0.214 18.667 19.000 -0.199 0.000 0.997 350 A HN 0.726 nan 8.150 nan 0.000 0.510 351 T N -4.534 110.102 114.554 0.137 0.000 3.359 351 T HA 0.037 4.387 4.350 -0.000 0.000 0.160 351 T C 1.900 176.648 174.700 0.079 0.000 0.924 351 T CA 1.135 63.305 62.100 0.117 0.000 0.951 351 T CB -0.785 68.154 68.868 0.118 0.000 1.404 351 T HN 0.291 nan 8.240 nan 0.000 0.309 352 T N 1.257 115.856 114.554 0.075 0.000 2.732 352 T HA 0.001 4.351 4.350 -0.000 0.000 0.261 352 T C 2.094 176.833 174.700 0.064 0.000 1.040 352 T CA 1.422 63.558 62.100 0.060 0.000 1.145 352 T CB -1.200 67.702 68.868 0.057 0.000 0.866 352 T HN 0.194 nan 8.240 nan 0.000 0.427 353 V N 2.533 122.500 119.914 0.088 0.000 2.407 353 V HA -0.056 4.064 4.120 -0.000 0.000 0.248 353 V C 3.287 179.406 176.094 0.042 0.000 1.055 353 V CA 1.553 63.923 62.300 0.117 0.000 1.049 353 V CB -1.598 30.314 31.823 0.148 0.000 0.662 353 V HN 0.704 nan 8.190 nan 0.000 0.455 354 A N 0.341 123.180 122.820 0.032 0.000 1.855 354 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 354 A C 2.446 179.968 177.584 -0.102 0.000 1.191 354 A CA 2.007 54.031 52.037 -0.021 0.000 0.613 354 A CB -0.898 18.135 19.000 0.056 0.000 0.829 354 A HN 0.574 nan 8.150 nan 0.000 0.442 355 A N -0.501 122.286 122.820 -0.056 0.000 1.972 355 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 355 A C 1.994 179.500 177.584 -0.130 0.000 1.169 355 A CA 1.811 53.797 52.037 -0.085 0.000 0.635 355 A CB -0.507 18.479 19.000 -0.024 0.000 0.810 355 A HN 0.703 nan 8.150 nan 0.000 0.446 356 E N -0.278 119.859 120.200 -0.105 0.000 2.106 356 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 356 E C 1.793 178.179 176.600 -0.357 0.000 0.984 356 E CA 1.042 57.374 56.400 -0.113 0.000 0.806 356 E CB -0.186 29.551 29.700 0.061 0.000 0.750 356 E HN 0.671 nan 8.360 nan 0.000 0.458 357 I N 0.856 121.087 120.570 -0.564 0.000 2.202 357 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 357 I C 2.073 177.821 176.117 -0.615 0.000 1.091 357 I CA 0.949 61.720 61.300 -0.882 0.000 1.368 357 I CB 0.018 37.572 38.000 -0.742 0.000 1.058 357 I HN 0.130 nan 8.210 nan 0.000 0.410 358 V N -1.379 118.267 119.914 -0.446 0.000 3.544 358 V HA 0.157 4.277 4.120 -0.000 0.000 0.304 358 V C 0.512 176.390 176.094 -0.361 0.000 1.256 358 V CA -0.124 61.890 62.300 -0.477 0.000 1.232 358 V CB -1.520 29.790 31.823 -0.855 0.000 1.065 358 V HN 0.563 nan 8.190 nan 0.000 0.423 359 N N 1.215 119.748 118.700 -0.278 0.000 2.716 359 N HA -0.188 4.552 4.740 -0.000 0.000 0.250 359 N C 0.384 175.838 175.510 -0.094 0.000 1.033 359 N CA 1.355 54.315 53.050 -0.151 0.000 0.727 359 N CB -0.613 37.827 38.487 -0.080 0.000 0.950 359 N HN 0.563 nan 8.380 nan 0.000 0.541 360 M N -0.264 119.270 119.600 -0.110 0.000 2.705 360 M HA 0.029 4.509 4.480 -0.000 0.000 0.387 360 M C 0.510 176.797 176.300 -0.022 0.000 1.204 360 M CA -0.001 55.272 55.300 -0.045 0.000 0.905 360 M CB 0.404 32.979 32.600 -0.041 0.000 1.394 360 M HN 0.114 nan 8.290 nan 0.000 0.515 361 Q N 0.428 120.213 119.800 -0.025 0.000 2.300 361 Q HA 0.314 4.654 4.340 -0.000 0.000 0.280 361 Q C 0.867 176.871 176.000 0.008 0.000 1.033 361 Q CA 1.386 57.187 55.803 -0.004 0.000 0.903 361 Q CB 0.612 29.353 28.738 0.005 0.000 1.195 361 Q HN 0.606 nan 8.270 nan 0.000 0.386 362 G N 2.579 111.387 108.800 0.013 0.000 2.284 362 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.247 362 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.247 362 G C 0.870 175.781 174.900 0.018 0.000 1.012 362 G CA 0.545 45.655 45.100 0.016 0.000 0.618 362 G HN 0.545 nan 8.290 nan 0.000 0.521 363 Q N -0.158 119.654 119.800 0.021 0.000 2.134 363 Q HA 0.542 4.882 4.340 -0.000 0.000 0.195 363 Q C 1.462 177.482 176.000 0.034 0.000 0.958 363 Q CA 1.176 56.998 55.803 0.030 0.000 0.840 363 Q CB 0.085 28.848 28.738 0.042 0.000 0.918 363 Q HN 0.677 nan 8.270 nan 0.000 0.467 364 L N -3.190 118.052 121.223 0.032 0.000 2.230 364 L HA 0.612 4.952 4.340 -0.000 0.000 0.255 364 L C 0.690 177.576 176.870 0.026 0.000 1.039 364 L CA -0.587 54.274 54.840 0.035 0.000 0.846 364 L CB 1.669 43.763 42.059 0.058 0.000 1.419 364 L HN 0.297 nan 8.230 nan 0.000 0.435 365 G N 0.173 108.992 108.800 0.032 0.000 2.155 365 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.257 365 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.257 365 G C -0.462 174.457 174.900 0.033 0.000 0.983 365 G CA 0.401 45.525 45.100 0.040 0.000 0.676 365 G HN 0.507 nan 8.290 nan 0.000 0.528 366 V N 0.430 120.356 119.914 0.021 0.000 2.852 366 V HA 0.517 4.637 4.120 -0.000 0.000 0.300 366 V C -0.429 175.669 176.094 0.007 0.000 1.205 366 V CA -1.026 61.283 62.300 0.015 0.000 0.940 366 V CB 1.632 33.465 31.823 0.017 0.000 1.047 366 V HN 0.362 nan 8.190 nan 0.000 0.429 367 I N 6.555 127.125 120.570 0.001 0.000 2.278 367 I HA 0.695 4.865 4.170 -0.000 0.000 0.296 367 I C 0.453 176.573 176.117 0.005 0.000 1.121 367 I CA 0.339 61.638 61.300 -0.002 0.000 1.267 367 I CB 0.608 38.602 38.000 -0.009 0.000 1.447 367 I HN 0.741 nan 8.210 nan 0.000 0.509 368 A N 5.247 128.073 122.820 0.009 0.000 2.583 368 A HA 0.734 5.054 4.320 -0.000 0.000 0.289 368 A C -0.699 176.895 177.584 0.015 0.000 1.151 368 A CA -0.587 51.459 52.037 0.014 0.000 0.695 368 A CB 1.295 20.303 19.000 0.014 0.000 1.290 368 A HN 0.199 nan 8.150 nan 0.000 0.419 369 V N 1.017 120.941 119.914 0.018 0.000 2.585 369 V HA 0.448 4.568 4.120 -0.000 0.000 0.296 369 V C 1.565 177.667 176.094 0.013 0.000 1.035 369 V CA 1.787 64.097 62.300 0.016 0.000 1.084 369 V CB 0.163 31.996 31.823 0.017 0.000 0.953 369 V HN 2.284 nan 8.190 nan 0.000 0.483 370 G N 3.489 112.296 108.800 0.012 0.000 2.258 370 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.233 370 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.233 370 G C 0.507 175.415 174.900 0.012 0.000 1.006 370 G CA 0.226 45.333 45.100 0.011 0.000 0.620 370 G HN 1.472 nan 8.290 nan 0.000 0.511 371 A N 0.400 123.228 122.820 0.012 0.000 2.406 371 A HA 0.667 4.987 4.320 -0.000 0.000 0.243 371 A C 0.796 178.386 177.584 0.011 0.000 1.082 371 A CA 0.159 52.204 52.037 0.013 0.000 0.786 371 A CB 0.161 19.169 19.000 0.012 0.000 1.029 371 A HN 0.889 nan 8.150 nan 0.000 0.495 372 I N 0.560 121.139 120.570 0.014 0.000 2.696 372 I HA 0.228 4.398 4.170 -0.000 0.000 0.284 372 I C 1.096 177.214 176.117 0.001 0.000 1.129 372 I CA 0.056 61.363 61.300 0.011 0.000 1.410 372 I CB 1.012 39.024 38.000 0.021 0.000 1.399 372 I HN 0.650 nan 8.210 nan 0.000 0.579 373 A N 4.377 127.193 122.820 -0.007 0.000 3.037 373 A HA 0.196 4.516 4.320 -0.000 0.000 0.272 373 A C -0.475 177.092 177.584 -0.028 0.000 1.723 373 A CA -0.228 51.799 52.037 -0.018 0.000 1.413 373 A CB -0.914 18.074 19.000 -0.020 0.000 1.112 373 A HN 0.623 nan 8.150 nan 0.000 0.606 374 D N 1.355 121.737 120.400 -0.031 0.000 2.477 374 D HA 0.480 5.120 4.640 -0.000 0.000 0.239 374 D C -0.745 175.504 176.300 -0.085 0.000 1.102 374 D CA 0.117 54.087 54.000 -0.049 0.000 0.901 374 D CB 0.855 41.639 40.800 -0.028 0.000 1.026 374 D HN 0.148 nan 8.370 nan 0.000 0.515 375 L N 1.896 123.059 121.223 -0.101 0.000 2.362 375 L HA 0.551 4.891 4.340 -0.000 0.000 0.271 375 L C -0.382 176.386 176.870 -0.169 0.000 1.002 375 L CA -1.124 53.644 54.840 -0.120 0.000 0.818 375 L CB 2.068 44.080 42.059 -0.079 0.000 1.298 375 L HN 0.006 nan 8.230 nan 0.000 0.420 376 V N 3.408 123.186 119.914 -0.226 0.000 2.417 376 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 376 V C -0.219 175.807 176.094 -0.115 0.000 1.024 376 V CA -0.768 61.383 62.300 -0.249 0.000 0.861 376 V CB 2.260 33.759 31.823 -0.540 0.000 0.985 376 V HN 0.430 nan 8.190 nan 0.000 0.436 377 V N 6.716 126.611 119.914 -0.030 0.000 2.364 377 V HA 0.381 4.501 4.120 -0.000 0.000 0.272 377 V C -0.319 175.781 176.094 0.009 0.000 1.036 377 V CA -0.386 61.934 62.300 0.033 0.000 0.880 377 V CB 1.314 33.251 31.823 0.190 0.000 0.991 377 V HN 0.546 nan 8.190 nan 0.000 0.460 378 L N 4.634 125.853 121.223 -0.007 0.000 2.325 378 L HA 0.509 4.849 4.340 -0.000 0.000 0.281 378 L C -0.168 176.692 176.870 -0.017 0.000 1.004 378 L CA -0.279 54.552 54.840 -0.015 0.000 0.823 378 L CB 1.597 43.648 42.059 -0.013 0.000 1.236 378 L HN 0.608 nan 8.230 nan 0.000 0.415 379 D N 3.824 124.212 120.400 -0.021 0.000 2.416 379 D HA 0.517 5.157 4.640 -0.000 0.000 0.240 379 D C 0.420 176.707 176.300 -0.021 0.000 1.250 379 D CA 1.382 55.369 54.000 -0.021 0.000 0.967 379 D CB 0.023 40.806 40.800 -0.027 0.000 1.059 379 D HN 0.829 nan 8.370 nan 0.000 0.512 380 G N 2.988 111.774 108.800 -0.023 0.000 2.384 380 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.668 380 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.668 380 G C -0.966 173.916 174.900 -0.031 0.000 1.280 380 G CA -0.979 44.107 45.100 -0.024 0.000 0.992 380 G HN 0.589 nan 8.290 nan 0.000 0.512 381 N N 0.981 119.662 118.700 -0.030 0.000 2.479 381 N HA 0.639 5.379 4.740 -0.000 0.000 0.261 381 N C -0.663 174.821 175.510 -0.043 0.000 0.979 381 N CA -1.742 51.287 53.050 -0.035 0.000 0.930 381 N CB 2.375 40.845 38.487 -0.028 0.000 1.172 381 N HN 0.195 nan 8.380 nan 0.000 0.499 382 P HA -0.131 nan 4.420 nan 0.000 0.220 382 P C 1.187 178.445 177.300 -0.069 0.000 1.148 382 P CA 0.434 63.479 63.100 -0.092 0.000 0.803 382 P CB 0.416 32.032 31.700 -0.140 0.000 0.782 383 L N -0.347 120.848 121.223 -0.048 0.000 2.291 383 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 383 L C 2.171 179.029 176.870 -0.019 0.000 1.120 383 L CA 1.780 56.602 54.840 -0.031 0.000 0.799 383 L CB -1.200 40.844 42.059 -0.024 0.000 0.925 383 L HN -0.052 nan 8.230 nan 0.000 0.446 384 E N -1.860 118.328 120.200 -0.020 0.000 2.306 384 E HA 0.002 4.352 4.350 -0.000 0.000 0.201 384 E C -0.059 176.535 176.600 -0.010 0.000 0.874 384 E CA 0.018 56.412 56.400 -0.010 0.000 0.972 384 E CB 0.623 30.318 29.700 -0.008 0.000 0.957 384 E HN 0.139 nan 8.360 nan 0.000 0.492 385 D N 0.389 120.778 120.400 -0.017 0.000 2.454 385 D HA 0.077 4.717 4.640 -0.000 0.000 0.225 385 D C 0.377 176.658 176.300 -0.032 0.000 1.081 385 D CA -0.242 53.749 54.000 -0.015 0.000 0.864 385 D CB 1.067 41.860 40.800 -0.011 0.000 1.040 385 D HN -0.026 nan 8.370 nan 0.000 0.517 386 I N 3.418 123.974 120.570 -0.023 0.000 2.567 386 I HA 0.051 4.221 4.170 -0.000 0.000 0.257 386 I C 2.029 178.123 176.117 -0.040 0.000 1.184 386 I CA 1.126 62.401 61.300 -0.042 0.000 1.451 386 I CB -0.295 37.709 38.000 0.007 0.000 1.089 386 I HN 0.572 nan 8.210 nan 0.000 0.441 387 G N -0.118 108.679 108.800 -0.005 0.000 2.498 387 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 387 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 387 G C 1.693 176.591 174.900 -0.004 0.000 1.119 387 G CA 1.021 46.129 45.100 0.015 0.000 0.766 387 G HN 0.487 nan 8.290 nan 0.000 0.552 388 V N -1.039 118.854 119.914 -0.035 0.000 2.913 388 V HA -0.021 4.099 4.120 -0.000 0.000 0.260 388 V C 2.149 178.209 176.094 -0.056 0.000 1.098 388 V CA 1.799 64.077 62.300 -0.037 0.000 1.121 388 V CB -0.131 31.667 31.823 -0.042 0.000 0.714 388 V HN 0.151 nan 8.190 nan 0.000 0.487 389 V N 0.281 120.122 119.914 -0.122 0.000 2.806 389 V HA 0.430 4.550 4.120 -0.000 0.000 0.239 389 V C 2.546 178.627 176.094 -0.021 0.000 1.113 389 V CA 0.897 63.072 62.300 -0.207 0.000 1.137 389 V CB -0.566 30.817 31.823 -0.733 0.000 0.865 389 V HN 0.484 nan 8.190 nan 0.000 0.482 390 A N -0.045 122.800 122.820 0.042 0.000 2.268 390 A HA 0.051 4.371 4.320 -0.000 0.000 0.221 390 A C 0.904 178.603 177.584 0.192 0.000 1.287 390 A CA 0.801 52.972 52.037 0.224 0.000 0.902 390 A CB -0.698 18.446 19.000 0.240 0.000 0.877 390 A HN 0.483 nan 8.150 nan 0.000 0.487 391 D N 0.264 120.750 120.400 0.144 0.000 2.894 391 D HA 0.144 4.784 4.640 -0.000 0.000 0.273 391 D C 0.152 176.531 176.300 0.131 0.000 1.328 391 D CA -0.063 54.012 54.000 0.126 0.000 0.845 391 D CB -0.200 40.649 40.800 0.082 0.000 1.072 391 D HN 0.223 nan 8.370 nan 0.000 0.484 392 E N -0.030 120.275 120.200 0.175 0.000 2.320 392 E HA -0.263 4.087 4.350 -0.000 0.000 0.234 392 E C 0.980 177.666 176.600 0.143 0.000 1.183 392 E CA 0.792 57.290 56.400 0.162 0.000 0.713 392 E CB -1.255 28.507 29.700 0.104 0.000 1.226 392 E HN 0.705 nan 8.360 nan 0.000 0.382 393 G N 0.320 109.219 108.800 0.165 0.000 3.729 393 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.327 393 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.327 393 G C 1.135 176.076 174.900 0.070 0.000 1.293 393 G CA 2.533 47.704 45.100 0.117 0.000 1.011 393 G HN 1.711 nan 8.290 nan 0.000 0.673 394 A N -1.515 121.334 122.820 0.049 0.000 2.630 394 A HA -0.395 3.925 4.320 -0.000 0.000 0.234 394 A C 1.618 179.205 177.584 0.004 0.000 0.442 394 A CA 3.039 55.091 52.037 0.025 0.000 1.108 394 A CB -1.325 17.695 19.000 0.034 0.000 1.405 394 A HN 1.644 nan 8.150 nan 0.000 0.690 395 R N -1.000 119.505 120.500 0.008 0.000 2.791 395 R HA 0.450 4.790 4.340 -0.000 0.000 0.357 395 R C -0.465 175.824 176.300 -0.018 0.000 1.173 395 R CA 0.706 56.800 56.100 -0.010 0.000 1.060 395 R CB 1.012 31.308 30.300 -0.007 0.000 1.406 395 R HN 0.639 nan 8.270 nan 0.000 0.580 396 V N 1.403 121.303 119.914 -0.023 0.000 2.444 396 V HA 0.239 4.359 4.120 -0.000 0.000 0.294 396 V C 0.419 176.453 176.094 -0.100 0.000 1.022 396 V CA -0.369 61.905 62.300 -0.043 0.000 0.850 396 V CB 1.591 33.404 31.823 -0.017 0.000 0.992 396 V HN 0.434 nan 8.190 nan 0.000 0.426 397 E N 5.522 125.622 120.200 -0.166 0.000 2.465 397 E HA 0.102 4.452 4.350 -0.000 0.000 0.209 397 E C -0.876 175.354 176.600 -0.616 0.000 0.951 397 E CA 0.062 56.240 56.400 -0.370 0.000 0.997 397 E CB 0.541 29.979 29.700 -0.436 0.000 1.025 397 E HN 0.644 nan 8.360 nan 0.000 0.500 398 Y N 0.398 120.666 120.300 -0.052 0.000 2.425 398 Y HA 0.477 5.027 4.550 -0.000 0.000 0.344 398 Y C -0.513 175.335 175.900 -0.086 0.000 0.969 398 Y CA -1.096 56.968 58.100 -0.060 0.000 1.052 398 Y CB 2.506 40.932 38.460 -0.057 0.000 1.215 398 Y HN -0.252 nan 8.280 nan 0.000 0.451 399 V N 5.117 125.082 119.914 0.084 0.000 2.443 399 V HA 0.386 4.506 4.120 -0.000 0.000 0.293 399 V C -0.839 175.252 176.094 -0.004 0.000 1.021 399 V CA -0.674 61.619 62.300 -0.011 0.000 0.848 399 V CB 1.540 33.334 31.823 -0.047 0.000 0.998 399 V HN 0.512 nan 8.190 nan 0.000 0.424 400 L N 4.386 125.588 121.223 -0.036 0.000 2.295 400 L HA 0.592 4.932 4.340 -0.000 0.000 0.285 400 L C -0.073 176.768 176.870 -0.048 0.000 1.035 400 L CA 0.403 55.220 54.840 -0.038 0.000 0.806 400 L CB 1.563 43.593 42.059 -0.049 0.000 1.214 400 L HN 0.684 nan 8.230 nan 0.000 0.426 401 Q N 3.865 123.644 119.800 -0.036 0.000 2.294 401 Q HA 0.407 4.747 4.340 -0.000 0.000 0.264 401 Q C -0.735 175.248 176.000 -0.029 0.000 0.992 401 Q CA -0.698 55.084 55.803 -0.034 0.000 0.747 401 Q CB 1.080 29.798 28.738 -0.033 0.000 1.262 401 Q HN 0.443 nan 8.270 nan 0.000 0.452 402 R N 2.613 123.098 120.500 -0.025 0.000 3.188 402 R HA -0.324 4.016 4.340 -0.000 0.000 0.247 402 R C 0.649 176.936 176.300 -0.022 0.000 0.918 402 R CA 0.718 56.805 56.100 -0.021 0.000 0.629 402 R CB -1.886 28.400 30.300 -0.023 0.000 1.087 402 R HN 1.182 nan 8.270 nan 0.000 0.462 403 G N -1.175 107.611 108.800 -0.023 0.000 3.329 403 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.220 403 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.220 403 G C 0.294 175.177 174.900 -0.029 0.000 1.358 403 G CA 0.723 45.808 45.100 -0.025 0.000 0.856 403 G HN 0.809 nan 8.290 nan 0.000 0.551 404 T N 1.077 115.616 114.554 -0.026 0.000 2.898 404 T HA 0.525 4.875 4.350 -0.000 0.000 0.301 404 T C 0.295 174.981 174.700 -0.024 0.000 1.049 404 T CA 0.380 62.465 62.100 -0.025 0.000 1.095 404 T CB 1.269 70.124 68.868 -0.022 0.000 0.976 404 T HN 1.366 nan 8.240 nan 0.000 0.539 405 L N 5.063 126.275 121.223 -0.018 0.000 2.276 405 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 405 L C 0.468 177.344 176.870 0.011 0.000 1.061 405 L CA -0.060 54.779 54.840 -0.001 0.000 0.807 405 L CB 1.231 43.291 42.059 0.003 0.000 1.177 405 L HN 0.634 nan 8.230 nan 0.000 0.429 406 V N 1.552 121.474 119.914 0.014 0.000 3.572 406 V HA 0.394 4.514 4.120 -0.000 0.000 0.260 406 V C 0.336 176.437 176.094 0.013 0.000 1.324 406 V CA 0.012 62.316 62.300 0.006 0.000 1.068 406 V CB -0.387 31.431 31.823 -0.009 0.000 0.837 406 V HN 0.608 nan 8.190 nan 0.000 0.450 407 K N 1.903 122.320 120.400 0.027 0.000 2.397 407 K HA 0.572 4.892 4.320 -0.000 0.000 0.253 407 K C -1.087 175.533 176.600 0.033 0.000 0.932 407 K CA -0.338 55.957 56.287 0.014 0.000 0.795 407 K CB 2.985 35.479 32.500 -0.010 0.000 1.159 407 K HN 0.163 nan 8.250 nan 0.000 0.424 408 R N 3.318 123.815 120.500 -0.005 0.000 2.388 408 R HA 0.243 4.583 4.340 -0.000 0.000 0.314 408 R C -0.707 175.504 176.300 -0.148 0.000 0.959 408 R CA -0.128 55.923 56.100 -0.081 0.000 0.851 408 R CB 0.929 31.252 30.300 0.037 0.000 1.168 408 R HN 0.676 nan 8.270 nan 0.000 0.472 409 Q N 0.000 119.645 119.800 -0.259 0.000 2.315 409 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 409 Q CA 0.000 55.697 55.803 -0.177 0.000 1.022 409 Q CB 0.000 28.660 28.738 -0.130 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481