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 3m9v_1_A DATA FIRST_RESID 10 DATA SEQUENCE STTGLYAPVT PAGRVLLDRL AAHLPRIRST AAEHDRDGTF PTDTFDALRK DATA SEQUENCE DGLMGATVPA ELGGLGVDRL YDVAVALLAV ARADASTALA LHMQLSRGLT DATA SEQUENCE LGYEWRHGDE RARTLAERIL RGMVAGDAVV CSGIKDHHTA VTTLRPDGAG DATA SEQUENCE GWLLSGRKTL VSMAPVGTHF VINARTDGXX GPPRLASPVV TRDTPGFTVL DATA SEQUENCE DNWDGLGMRA SGTVDIVFDD CPIPADHVLM RDPXXARNDA VLAGQTVSSV DATA SEQUENCE SVLGVYVGVA QAAYDTAVAA LERRPEPPQA AALTLVAEID SRLYALRATA DATA SEQUENCE GSALTAADAL SADLSGDMDE RGRQMMRHFQ CAKLAVNRLA PEIVSDCLSL DATA SEQUENCE VGGASYTAGH PLARLLRDVQ AGRFMQPYAY VDAVDFLSAQ ALGI 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.652 174.600 0.087 0.000 1.055 10 S CA 0.000 58.263 58.200 0.105 0.000 1.107 10 S CB 0.000 63.304 63.200 0.173 0.000 0.593 11 T N 0.249 114.837 114.554 0.056 0.000 3.132 11 T HA 0.406 4.749 4.350 -0.012 0.000 0.274 11 T C 0.645 175.336 174.700 -0.015 0.000 1.011 11 T CA 0.509 62.579 62.100 -0.050 0.000 0.899 11 T CB -0.069 68.746 68.868 -0.088 0.000 1.089 11 T HN 0.994 nan 8.240 nan 0.000 0.543 12 T N -2.975 111.662 114.554 0.137 0.000 2.907 12 T HA 0.616 4.958 4.350 -0.012 0.000 0.290 12 T C 1.159 175.912 174.700 0.089 0.000 1.066 12 T CA -0.020 62.168 62.100 0.146 0.000 1.012 12 T CB 1.198 70.141 68.868 0.124 0.000 1.184 12 T HN 0.807 nan 8.240 nan 0.000 0.522 13 G N 0.388 109.109 108.800 -0.132 0.000 2.166 13 G HA2 -0.254 3.699 3.960 -0.012 0.000 0.260 13 G HA3 -0.254 3.699 3.960 -0.012 0.000 0.260 13 G C 0.699 175.163 174.900 -0.726 0.000 0.986 13 G CA 0.226 44.953 45.100 -0.621 0.000 0.683 13 G HN 1.715 nan 8.290 nan 0.000 0.527 14 L N -3.120 117.888 121.223 -0.359 0.000 3.843 14 L HA -0.326 4.007 4.340 -0.012 0.000 0.411 14 L C 1.664 178.389 176.870 -0.241 0.000 1.205 14 L CA 1.253 55.840 54.840 -0.422 0.000 0.945 14 L CB -1.959 39.821 42.059 -0.465 0.000 1.929 14 L HN 0.514 nan 8.230 nan 0.000 0.934 15 Y N -0.347 119.974 120.300 0.035 0.000 2.457 15 Y HA 0.306 4.848 4.550 -0.013 0.000 0.292 15 Y C 1.381 177.311 175.900 0.050 0.000 1.125 15 Y CA 0.426 58.546 58.100 0.034 0.000 1.254 15 Y CB 0.246 38.732 38.460 0.044 0.000 1.012 15 Y HN 0.486 nan 8.280 nan 0.000 0.555 16 A N -0.695 122.255 122.820 0.216 0.000 2.594 16 A HA 0.520 4.833 4.320 -0.012 0.000 0.296 16 A C -3.016 174.689 177.584 0.202 0.000 1.056 16 A CA -1.521 50.616 52.037 0.167 0.000 0.693 16 A CB 0.608 19.697 19.000 0.148 0.000 1.278 16 A HN -0.228 nan 8.150 nan 0.000 0.408 17 P HA 0.327 nan 4.420 nan 0.000 0.272 17 P C 0.827 178.207 177.300 0.133 0.000 1.223 17 P CA -0.017 63.180 63.100 0.162 0.000 0.784 17 P CB 0.758 32.511 31.700 0.089 0.000 0.923 18 V N -1.754 118.226 119.914 0.109 0.000 3.578 18 V HA 0.225 4.337 4.120 -0.012 0.000 0.290 18 V C 0.397 176.493 176.094 0.003 0.000 1.376 18 V CA 0.484 62.788 62.300 0.006 0.000 1.083 18 V CB -0.808 30.934 31.823 -0.136 0.000 0.911 18 V HN 0.639 nan 8.190 nan 0.000 0.433 19 T N -4.108 110.462 114.554 0.027 0.000 2.906 19 T HA 0.628 4.970 4.350 -0.012 0.000 0.295 19 T C -2.249 172.463 174.700 0.020 0.000 1.075 19 T CA -1.616 60.494 62.100 0.016 0.000 1.005 19 T CB 2.011 70.889 68.868 0.016 0.000 1.136 19 T HN -0.063 nan 8.240 nan 0.000 0.498 20 P HA -0.027 nan 4.420 nan 0.000 0.215 20 P C 1.690 178.997 177.300 0.013 0.000 1.153 20 P CA 1.619 64.727 63.100 0.013 0.000 0.853 20 P CB -0.272 31.433 31.700 0.009 0.000 0.788 21 A N -0.307 122.520 122.820 0.012 0.000 1.972 21 A HA -0.064 4.249 4.320 -0.012 0.000 0.219 21 A C 2.469 180.060 177.584 0.012 0.000 1.169 21 A CA 1.966 54.008 52.037 0.009 0.000 0.635 21 A CB -1.818 17.186 19.000 0.007 0.000 0.810 21 A HN 0.282 nan 8.150 nan 0.000 0.446 22 G N -0.710 108.102 108.800 0.022 0.000 2.418 22 G HA2 -0.221 3.732 3.960 -0.012 0.000 0.217 22 G HA3 -0.221 3.732 3.960 -0.012 0.000 0.217 22 G C 1.772 176.687 174.900 0.026 0.000 1.158 22 G CA 0.915 46.033 45.100 0.029 0.000 0.771 22 G HN 0.532 nan 8.290 nan 0.000 0.545 23 R N -0.410 120.106 120.500 0.027 0.000 2.081 23 R HA -0.033 4.300 4.340 -0.012 0.000 0.235 23 R C 2.764 179.074 176.300 0.016 0.000 1.131 23 R CA 1.234 57.348 56.100 0.024 0.000 0.960 23 R CB -0.454 29.859 30.300 0.023 0.000 0.856 23 R HN 0.286 nan 8.270 nan 0.000 0.436 24 V N 1.410 121.331 119.914 0.012 0.000 2.255 24 V HA -0.282 3.831 4.120 -0.012 0.000 0.247 24 V C 2.238 178.336 176.094 0.006 0.000 1.051 24 V CA 1.790 64.094 62.300 0.007 0.000 1.018 24 V CB -0.613 31.212 31.823 0.004 0.000 0.641 24 V HN 0.308 nan 8.190 nan 0.000 0.445 25 L N -0.189 121.035 121.223 0.003 0.000 1.997 25 L HA -0.228 4.104 4.340 -0.012 0.000 0.216 25 L C 2.246 179.117 176.870 0.002 0.000 1.074 25 L CA 2.287 57.125 54.840 -0.003 0.000 0.763 25 L CB -0.801 41.253 42.059 -0.008 0.000 0.890 25 L HN 0.301 nan 8.230 nan 0.000 0.434 26 L N -0.543 120.683 121.223 0.006 0.000 2.083 26 L HA -0.182 4.151 4.340 -0.012 0.000 0.209 26 L C 2.072 178.949 176.870 0.012 0.000 1.083 26 L CA 1.823 56.668 54.840 0.008 0.000 0.752 26 L CB -0.966 41.101 42.059 0.013 0.000 0.899 26 L HN 0.344 nan 8.230 nan 0.000 0.433 27 D N -0.712 119.695 120.400 0.012 0.000 2.117 27 D HA -0.148 4.484 4.640 -0.012 0.000 0.197 27 D C 2.300 178.608 176.300 0.013 0.000 0.987 27 D CA 0.971 54.977 54.000 0.010 0.000 0.829 27 D CB -0.071 40.733 40.800 0.007 0.000 0.961 27 D HN 0.302 nan 8.370 nan 0.000 0.460 28 R N 0.090 120.603 120.500 0.021 0.000 2.090 28 R HA 0.039 4.372 4.340 -0.012 0.000 0.228 28 R C 2.502 178.860 176.300 0.097 0.000 1.110 28 R CA 0.230 56.355 56.100 0.042 0.000 0.973 28 R CB -0.449 29.875 30.300 0.039 0.000 0.869 28 R HN 0.274 nan 8.270 nan 0.000 0.440 29 L N 0.397 121.664 121.223 0.074 0.000 2.191 29 L HA -0.138 4.195 4.340 -0.012 0.000 0.212 29 L C 2.603 179.528 176.870 0.091 0.000 1.103 29 L CA 0.958 55.858 54.840 0.100 0.000 0.769 29 L CB -0.518 41.552 42.059 0.017 0.000 0.908 29 L HN 0.177 nan 8.230 nan 0.000 0.438 30 A N 0.167 123.007 122.820 0.034 0.000 1.940 30 A HA -0.246 4.066 4.320 -0.012 0.000 0.219 30 A C 2.547 180.111 177.584 -0.032 0.000 1.176 30 A CA 1.750 53.788 52.037 0.002 0.000 0.631 30 A CB -0.702 18.294 19.000 -0.007 0.000 0.814 30 A HN 0.417 nan 8.150 nan 0.000 0.446 31 A N -1.192 121.578 122.820 -0.085 0.000 1.986 31 A HA -0.234 4.079 4.320 -0.012 0.000 0.220 31 A C 1.949 179.348 177.584 -0.308 0.000 1.171 31 A CA 1.713 53.616 52.037 -0.223 0.000 0.640 31 A CB -0.847 17.945 19.000 -0.347 0.000 0.811 31 A HN 0.733 nan 8.150 nan 0.000 0.451 32 H N -0.848 118.190 119.070 -0.054 0.000 2.547 32 H HA 0.164 4.712 4.556 -0.012 0.000 0.272 32 H C 1.966 177.255 175.328 -0.064 0.000 0.971 32 H CA 0.760 56.767 56.048 -0.069 0.000 1.245 32 H CB -0.110 29.592 29.762 -0.100 0.000 1.440 32 H HN 0.430 nan 8.280 nan 0.000 0.540 33 L N 0.926 122.171 121.223 0.038 0.000 2.013 33 L HA -0.162 4.171 4.340 -0.012 0.000 0.212 33 L C -0.375 176.493 176.870 -0.003 0.000 1.073 33 L CA 1.529 56.374 54.840 0.009 0.000 0.753 33 L CB -1.813 40.246 42.059 -0.000 0.000 0.890 33 L HN 0.229 nan 8.230 nan 0.000 0.432 34 P HA -0.182 nan 4.420 nan 0.000 0.216 34 P C 1.524 178.819 177.300 -0.008 0.000 1.150 34 P CA 1.313 64.403 63.100 -0.016 0.000 0.837 34 P CB -0.129 31.555 31.700 -0.027 0.000 0.786 35 R N 0.026 120.525 120.500 -0.003 0.000 2.075 35 R HA -0.064 4.269 4.340 -0.012 0.000 0.232 35 R C 2.169 178.480 176.300 0.017 0.000 1.126 35 R CA 1.220 57.327 56.100 0.011 0.000 0.963 35 R CB -0.779 29.534 30.300 0.022 0.000 0.858 35 R HN 0.137 nan 8.270 nan 0.000 0.435 36 I N 0.368 120.942 120.570 0.006 0.000 2.163 36 I HA -0.302 3.861 4.170 -0.012 0.000 0.243 36 I C 2.788 178.910 176.117 0.009 0.000 1.085 36 I CA 1.455 62.753 61.300 -0.004 0.000 1.347 36 I CB -0.305 37.678 38.000 -0.030 0.000 1.044 36 I HN 0.221 nan 8.210 nan 0.000 0.408 37 R N 0.129 120.631 120.500 0.004 0.000 2.092 37 R HA -0.159 4.173 4.340 -0.012 0.000 0.231 37 R C 2.525 178.829 176.300 0.006 0.000 1.119 37 R CA 1.613 57.715 56.100 0.003 0.000 0.970 37 R CB -0.137 30.160 30.300 -0.005 0.000 0.864 37 R HN 0.226 nan 8.270 nan 0.000 0.440 38 S N -0.833 114.871 115.700 0.007 0.000 2.414 38 S HA -0.078 4.385 4.470 -0.012 0.000 0.227 38 S C 1.659 176.264 174.600 0.008 0.000 1.022 38 S CA 1.503 59.704 58.200 0.002 0.000 0.958 38 S CB -0.024 63.176 63.200 -0.001 0.000 0.797 38 S HN 0.606 nan 8.310 nan 0.000 0.493 39 T N -1.247 113.329 114.554 0.038 0.000 3.107 39 T HA 0.502 4.845 4.350 -0.012 0.000 0.249 39 T C 1.668 176.423 174.700 0.092 0.000 1.096 39 T CA 0.582 62.713 62.100 0.051 0.000 1.012 39 T CB 0.051 69.005 68.868 0.144 0.000 0.977 39 T HN 0.325 nan 8.240 nan 0.000 0.527 40 A N 1.939 124.806 122.820 0.078 0.000 1.883 40 A HA 0.249 4.561 4.320 -0.012 0.000 0.217 40 A C 2.764 180.385 177.584 0.062 0.000 1.186 40 A CA 1.758 53.847 52.037 0.087 0.000 0.624 40 A CB -1.398 17.631 19.000 0.048 0.000 0.822 40 A HN 0.736 nan 8.150 nan 0.000 0.444 41 A N -0.413 122.416 122.820 0.015 0.000 1.902 41 A HA -0.175 4.138 4.320 -0.012 0.000 0.217 41 A C 2.086 179.658 177.584 -0.021 0.000 1.181 41 A CA 1.786 53.823 52.037 -0.001 0.000 0.623 41 A CB -0.513 18.476 19.000 -0.018 0.000 0.818 41 A HN 0.708 nan 8.150 nan 0.000 0.443 42 E N -0.942 119.212 120.200 -0.077 0.000 2.047 42 E HA -0.249 4.093 4.350 -0.012 0.000 0.191 42 E C 1.803 178.318 176.600 -0.142 0.000 0.987 42 E CA 1.159 57.471 56.400 -0.146 0.000 0.799 42 E CB -0.346 29.197 29.700 -0.262 0.000 0.752 42 E HN 0.741 nan 8.360 nan 0.000 0.449 43 H N 0.273 119.352 119.070 0.015 0.000 2.423 43 H HA -0.098 4.450 4.556 -0.013 0.000 0.297 43 H C 1.797 177.148 175.328 0.039 0.000 1.075 43 H CA 1.644 57.708 56.048 0.027 0.000 1.342 43 H CB -0.239 29.530 29.762 0.013 0.000 1.395 43 H HN 0.401 nan 8.280 nan 0.000 0.530 44 D N 0.699 121.181 120.400 0.137 0.000 2.097 44 D HA -0.136 4.497 4.640 -0.012 0.000 0.195 44 D C 2.473 178.804 176.300 0.052 0.000 0.989 44 D CA 1.015 55.071 54.000 0.094 0.000 0.827 44 D CB 0.163 41.006 40.800 0.072 0.000 0.966 44 D HN 0.172 nan 8.370 nan 0.000 0.456 45 R N -0.008 120.507 120.500 0.026 0.000 2.080 45 R HA -0.136 4.197 4.340 -0.012 0.000 0.236 45 R C 1.097 177.403 176.300 0.009 0.000 1.137 45 R CA 2.000 58.103 56.100 0.004 0.000 0.943 45 R CB -0.170 30.122 30.300 -0.013 0.000 0.846 45 R HN 0.208 nan 8.270 nan 0.000 0.431 46 D N -1.241 119.172 120.400 0.022 0.000 2.323 46 D HA 0.073 4.706 4.640 -0.012 0.000 0.209 46 D C 0.807 177.144 176.300 0.061 0.000 0.973 46 D CA 1.146 55.165 54.000 0.033 0.000 0.874 46 D CB 0.381 41.203 40.800 0.038 0.000 0.930 46 D HN 0.573 nan 8.370 nan 0.000 0.521 47 G N 1.658 110.511 108.800 0.089 0.000 2.212 47 G HA2 -0.223 3.730 3.960 -0.012 0.000 0.255 47 G HA3 -0.223 3.730 3.960 -0.012 0.000 0.255 47 G C 0.336 175.343 174.900 0.179 0.000 1.062 47 G CA 0.620 45.784 45.100 0.107 0.000 0.815 47 G HN 0.459 nan 8.290 nan 0.000 0.497 48 T N -2.400 112.291 114.554 0.229 0.000 2.908 48 T HA 0.691 5.033 4.350 -0.012 0.000 0.290 48 T C -0.237 174.598 174.700 0.225 0.000 1.034 48 T CA -1.003 61.253 62.100 0.261 0.000 1.010 48 T CB 2.492 71.534 68.868 0.291 0.000 1.068 48 T HN 0.930 nan 8.240 nan 0.000 0.481 49 F N 4.151 124.123 119.950 0.036 0.000 2.412 49 F HA 0.463 4.982 4.527 -0.013 0.000 0.348 49 F C -1.912 173.747 175.800 -0.235 0.000 1.102 49 F CA -2.372 55.584 58.000 -0.073 0.000 1.196 49 F CB 1.331 40.300 39.000 -0.051 0.000 1.144 49 F HN 0.369 nan 8.300 nan 0.000 0.541 50 P HA 0.078 nan 4.420 nan 0.000 0.238 50 P C 0.179 177.370 177.300 -0.181 0.000 1.794 50 P CA 0.032 62.690 63.100 -0.737 0.000 1.088 50 P CB 0.375 31.675 31.700 -0.668 0.000 1.923 51 T N 1.077 115.694 114.554 0.106 0.000 2.833 51 T HA -0.137 4.205 4.350 -0.012 0.000 0.269 51 T C 1.381 176.209 174.700 0.214 0.000 1.054 51 T CA 1.899 64.173 62.100 0.290 0.000 1.135 51 T CB -0.329 68.688 68.868 0.248 0.000 0.869 51 T HN 0.463 nan 8.240 nan 0.000 0.466 52 D N 0.818 121.297 120.400 0.132 0.000 2.183 52 D HA -0.072 4.561 4.640 -0.012 0.000 0.203 52 D C 1.871 178.210 176.300 0.066 0.000 0.969 52 D CA 0.944 55.005 54.000 0.103 0.000 0.842 52 D CB -0.915 39.941 40.800 0.093 0.000 0.957 52 D HN 0.264 nan 8.370 nan 0.000 0.484 53 T N 0.188 114.756 114.554 0.024 0.000 2.746 53 T HA -0.063 4.279 4.350 -0.012 0.000 0.267 53 T C 1.618 176.191 174.700 -0.212 0.000 1.039 53 T CA 0.843 62.880 62.100 -0.105 0.000 1.142 53 T CB -0.450 68.294 68.868 -0.207 0.000 0.866 53 T HN 0.109 nan 8.240 nan 0.000 0.444 54 F N 1.607 121.537 119.950 -0.034 0.000 2.259 54 F HA -0.025 4.494 4.527 -0.013 0.000 0.298 54 F C 2.308 178.113 175.800 0.008 0.000 1.088 54 F CA 0.663 58.666 58.000 0.004 0.000 1.358 54 F CB -0.289 38.783 39.000 0.120 0.000 1.040 54 F HN 0.072 nan 8.300 nan 0.000 0.505 55 D N 0.309 120.808 120.400 0.165 0.000 2.104 55 D HA -0.187 4.446 4.640 -0.012 0.000 0.194 55 D C 2.364 178.687 176.300 0.040 0.000 0.994 55 D CA 1.507 55.566 54.000 0.098 0.000 0.830 55 D CB -0.624 40.232 40.800 0.094 0.000 0.959 55 D HN 0.245 nan 8.370 nan 0.000 0.452 56 A N 0.541 123.371 122.820 0.015 0.000 1.933 56 A HA -0.116 4.197 4.320 -0.012 0.000 0.218 56 A C 2.404 179.938 177.584 -0.084 0.000 1.175 56 A CA 0.912 52.966 52.037 0.029 0.000 0.628 56 A CB -0.695 18.382 19.000 0.128 0.000 0.814 56 A HN 0.214 nan 8.150 nan 0.000 0.444 57 L N -1.256 119.808 121.223 -0.265 0.000 2.109 57 L HA -0.142 4.191 4.340 -0.012 0.000 0.207 57 L C 2.807 179.585 176.870 -0.154 0.000 1.086 57 L CA 1.149 55.768 54.840 -0.368 0.000 0.760 57 L CB -0.477 41.299 42.059 -0.472 0.000 0.910 57 L HN 0.332 nan 8.230 nan 0.000 0.437 58 R N 1.073 121.535 120.500 -0.063 0.000 2.080 58 R HA -0.203 4.130 4.340 -0.012 0.000 0.236 58 R C 2.299 178.592 176.300 -0.012 0.000 1.137 58 R CA 2.028 58.122 56.100 -0.011 0.000 0.943 58 R CB -0.382 29.939 30.300 0.035 0.000 0.846 58 R HN 0.446 nan 8.270 nan 0.000 0.431 59 K N -0.060 120.341 120.400 0.002 0.000 2.288 59 K HA -0.059 4.253 4.320 -0.012 0.000 0.201 59 K C 1.042 177.650 176.600 0.012 0.000 1.048 59 K CA 1.591 57.885 56.287 0.012 0.000 0.956 59 K CB 0.118 32.633 32.500 0.024 0.000 0.746 59 K HN -0.040 nan 8.250 nan 0.000 0.461 60 D N 0.334 120.742 120.400 0.013 0.000 2.349 60 D HA 0.062 4.695 4.640 -0.012 0.000 0.224 60 D C 0.980 177.280 176.300 -0.001 0.000 1.029 60 D CA 0.941 54.961 54.000 0.033 0.000 0.879 60 D CB 0.203 41.061 40.800 0.098 0.000 0.906 60 D HN 0.470 nan 8.370 nan 0.000 0.528 61 G N 0.274 109.060 108.800 -0.023 0.000 2.189 61 G HA2 -0.339 3.614 3.960 -0.012 0.000 0.267 61 G HA3 -0.339 3.614 3.960 -0.012 0.000 0.267 61 G C 1.175 176.044 174.900 -0.051 0.000 0.975 61 G CA 0.653 45.732 45.100 -0.035 0.000 0.644 61 G HN 0.441 nan 8.290 nan 0.000 0.537 62 L N -0.039 121.140 121.223 -0.073 0.000 2.362 62 L HA 0.096 4.429 4.340 -0.012 0.000 0.219 62 L C 2.857 179.675 176.870 -0.087 0.000 1.134 62 L CA 0.817 55.602 54.840 -0.090 0.000 0.807 62 L CB -0.388 41.585 42.059 -0.142 0.000 0.927 62 L HN 0.237 nan 8.230 nan 0.000 0.447 63 M N -0.353 119.202 119.600 -0.075 0.000 2.630 63 M HA 0.020 4.493 4.480 -0.012 0.000 0.254 63 M C 1.665 177.928 176.300 -0.062 0.000 1.092 63 M CA 0.786 56.056 55.300 -0.050 0.000 1.087 63 M CB -0.839 31.751 32.600 -0.016 0.000 1.453 63 M HN 0.257 nan 8.290 nan 0.000 0.509 64 G N -1.020 107.740 108.800 -0.067 0.000 3.605 64 G HA2 0.380 4.333 3.960 -0.012 0.000 0.277 64 G HA3 0.380 4.333 3.960 -0.012 0.000 0.277 64 G C 1.339 176.196 174.900 -0.071 0.000 1.093 64 G CA 0.504 45.558 45.100 -0.078 0.000 0.821 64 G HN 0.414 nan 8.290 nan 0.000 0.532 65 A N 0.797 123.580 122.820 -0.063 0.000 1.933 65 A HA -0.024 4.289 4.320 -0.012 0.000 0.218 65 A C 2.375 179.929 177.584 -0.049 0.000 1.175 65 A CA 2.215 54.221 52.037 -0.052 0.000 0.628 65 A CB -0.456 18.516 19.000 -0.048 0.000 0.814 65 A HN 0.487 nan 8.150 nan 0.000 0.444 66 T N -2.797 111.722 114.554 -0.058 0.000 3.145 66 T HA 0.416 4.758 4.350 -0.012 0.000 0.255 66 T C 0.161 174.824 174.700 -0.061 0.000 1.039 66 T CA -0.139 61.930 62.100 -0.051 0.000 0.928 66 T CB -0.359 68.477 68.868 -0.054 0.000 1.029 66 T HN -0.030 nan 8.240 nan 0.000 0.554 67 V N 3.418 123.281 119.914 -0.084 0.000 2.614 67 V HA 0.272 4.385 4.120 -0.012 0.000 0.291 67 V C -2.116 173.914 176.094 -0.107 0.000 1.049 67 V CA -2.049 60.179 62.300 -0.121 0.000 1.038 67 V CB 0.862 32.594 31.823 -0.153 0.000 0.980 67 V HN 0.232 nan 8.190 nan 0.000 0.481 68 P HA -0.012 nan 4.420 nan 0.000 0.263 68 P C 0.542 177.792 177.300 -0.083 0.000 1.175 68 P CA 0.425 63.483 63.100 -0.069 0.000 0.761 68 P CB 0.584 32.235 31.700 -0.083 0.000 0.794 69 A N 4.000 126.802 122.820 -0.029 0.000 1.978 69 A HA -0.250 4.063 4.320 -0.012 0.000 0.220 69 A C 1.857 179.424 177.584 -0.030 0.000 1.170 69 A CA 1.752 53.772 52.037 -0.028 0.000 0.636 69 A CB -1.068 17.929 19.000 -0.005 0.000 0.810 69 A HN 0.540 nan 8.150 nan 0.000 0.448 70 E N -0.146 120.056 120.200 0.003 0.000 2.187 70 E HA -0.176 4.167 4.350 -0.012 0.000 0.199 70 E C 1.370 177.931 176.600 -0.065 0.000 1.004 70 E CA 1.308 57.727 56.400 0.032 0.000 0.813 70 E CB -0.285 29.538 29.700 0.206 0.000 0.736 70 E HN 0.679 nan 8.360 nan 0.000 0.468 71 L N -1.571 119.540 121.223 -0.187 0.000 2.667 71 L HA 0.308 4.641 4.340 -0.012 0.000 0.232 71 L C 1.121 177.897 176.870 -0.157 0.000 1.138 71 L CA 0.242 54.937 54.840 -0.241 0.000 0.921 71 L CB 0.298 42.087 42.059 -0.450 0.000 1.180 71 L HN 0.340 nan 8.230 nan 0.000 0.487 72 G N -0.100 108.636 108.800 -0.106 0.000 2.176 72 G HA2 -0.207 3.746 3.960 -0.012 0.000 0.232 72 G HA3 -0.207 3.746 3.960 -0.012 0.000 0.232 72 G C 0.516 175.370 174.900 -0.076 0.000 0.986 72 G CA -0.232 44.822 45.100 -0.077 0.000 0.643 72 G HN 0.489 nan 8.290 nan 0.000 0.522 73 G N -0.824 107.921 108.800 -0.092 0.000 2.580 73 G HA2 0.560 4.512 3.960 -0.012 0.000 0.278 73 G HA3 0.560 4.512 3.960 -0.012 0.000 0.278 73 G C 1.214 176.083 174.900 -0.052 0.000 1.212 73 G CA -0.383 44.670 45.100 -0.079 0.000 0.939 73 G HN 0.433 nan 8.290 nan 0.000 0.513 74 L N 0.504 121.701 121.223 -0.043 0.000 2.362 74 L HA 0.054 4.387 4.340 -0.012 0.000 0.219 74 L C 2.266 179.123 176.870 -0.021 0.000 1.134 74 L CA 1.015 55.839 54.840 -0.028 0.000 0.807 74 L CB -0.464 41.581 42.059 -0.024 0.000 0.927 74 L HN 0.958 nan 8.230 nan 0.000 0.447 75 G N 0.188 108.972 108.800 -0.026 0.000 2.160 75 G HA2 -0.262 3.690 3.960 -0.012 0.000 0.251 75 G HA3 -0.262 3.690 3.960 -0.012 0.000 0.251 75 G C 0.284 175.183 174.900 -0.001 0.000 1.008 75 G CA 0.173 45.267 45.100 -0.011 0.000 0.724 75 G HN 0.136 nan 8.290 nan 0.000 0.514 76 V N 1.653 121.563 119.914 -0.007 0.000 2.493 76 V HA 0.316 4.429 4.120 -0.012 0.000 0.292 76 V C 1.133 177.230 176.094 0.006 0.000 1.016 76 V CA 1.234 63.535 62.300 0.001 0.000 1.097 76 V CB 1.098 32.918 31.823 -0.006 0.000 0.947 76 V HN 0.612 nan 8.190 nan 0.000 0.479 77 D N 3.335 123.746 120.400 0.019 0.000 2.539 77 D HA 0.055 4.688 4.640 -0.012 0.000 0.232 77 D C 0.471 176.788 176.300 0.029 0.000 1.256 77 D CA -0.447 53.569 54.000 0.027 0.000 0.810 77 D CB 0.401 41.225 40.800 0.040 0.000 1.090 77 D HN 0.289 nan 8.370 nan 0.000 0.519 78 R N 1.067 121.586 120.500 0.032 0.000 2.312 78 R HA 0.390 4.723 4.340 -0.012 0.000 0.311 78 R C 1.403 177.732 176.300 0.048 0.000 1.004 78 R CA -0.551 55.576 56.100 0.045 0.000 0.902 78 R CB 1.672 32.014 30.300 0.070 0.000 1.073 78 R HN 0.065 nan 8.270 nan 0.000 0.457 79 L N 2.037 123.281 121.223 0.035 0.000 2.079 79 L HA -0.232 4.101 4.340 -0.012 0.000 0.210 79 L C 1.977 178.870 176.870 0.037 0.000 1.081 79 L CA 1.575 56.422 54.840 0.012 0.000 0.752 79 L CB -0.473 41.573 42.059 -0.022 0.000 0.896 79 L HN 0.614 nan 8.230 nan 0.000 0.433 80 Y N 0.992 121.264 120.300 -0.046 0.000 2.145 80 Y HA -0.313 4.229 4.550 -0.012 0.000 0.286 80 Y C 2.289 178.167 175.900 -0.036 0.000 1.145 80 Y CA 1.935 60.007 58.100 -0.045 0.000 1.148 80 Y CB -0.039 38.396 38.460 -0.042 0.000 0.981 80 Y HN 0.212 nan 8.280 nan 0.000 0.507 81 D N -0.760 119.754 120.400 0.189 0.000 2.183 81 D HA -0.147 4.485 4.640 -0.012 0.000 0.203 81 D C 2.355 178.655 176.300 0.001 0.000 0.969 81 D CA 1.244 55.303 54.000 0.098 0.000 0.842 81 D CB -0.312 40.546 40.800 0.096 0.000 0.957 81 D HN 0.295 nan 8.370 nan 0.000 0.484 82 V N 1.316 121.226 119.914 -0.007 0.000 2.343 82 V HA -0.225 3.887 4.120 -0.012 0.000 0.247 82 V C 2.490 178.553 176.094 -0.052 0.000 1.051 82 V CA 1.779 64.063 62.300 -0.025 0.000 1.036 82 V CB -0.721 31.090 31.823 -0.019 0.000 0.654 82 V HN 0.189 nan 8.190 nan 0.000 0.451 83 A N -0.429 122.333 122.820 -0.097 0.000 1.969 83 A HA -0.121 4.191 4.320 -0.012 0.000 0.218 83 A C 2.361 179.839 177.584 -0.176 0.000 1.169 83 A CA 1.768 53.718 52.037 -0.145 0.000 0.635 83 A CB -0.519 18.355 19.000 -0.209 0.000 0.810 83 A HN 0.346 nan 8.150 nan 0.000 0.445 84 V N -0.258 119.536 119.914 -0.201 0.000 2.427 84 V HA -0.214 3.898 4.120 -0.012 0.000 0.248 84 V C 3.017 179.060 176.094 -0.085 0.000 1.051 84 V CA 1.804 64.007 62.300 -0.163 0.000 1.048 84 V CB -1.068 30.683 31.823 -0.120 0.000 0.666 84 V HN 0.603 nan 8.190 nan 0.000 0.456 85 A N -0.133 122.650 122.820 -0.061 0.000 1.898 85 A HA -0.118 4.194 4.320 -0.012 0.000 0.216 85 A C 2.194 179.747 177.584 -0.051 0.000 1.181 85 A CA 1.574 53.585 52.037 -0.044 0.000 0.620 85 A CB -0.496 18.484 19.000 -0.034 0.000 0.819 85 A HN 0.494 nan 8.150 nan 0.000 0.442 86 L N -0.744 120.445 121.223 -0.057 0.000 2.042 86 L HA -0.185 4.148 4.340 -0.012 0.000 0.210 86 L C 2.621 179.444 176.870 -0.079 0.000 1.076 86 L CA 1.354 56.158 54.840 -0.060 0.000 0.749 86 L CB -0.607 41.418 42.059 -0.056 0.000 0.893 86 L HN 0.497 nan 8.230 nan 0.000 0.432 87 L N -0.010 121.159 121.223 -0.090 0.000 2.012 87 L HA -0.252 4.081 4.340 -0.012 0.000 0.210 87 L C 2.784 179.622 176.870 -0.052 0.000 1.073 87 L CA 1.650 56.441 54.840 -0.083 0.000 0.748 87 L CB -0.296 41.704 42.059 -0.099 0.000 0.891 87 L HN 0.250 nan 8.230 nan 0.000 0.431 88 A N -0.858 121.937 122.820 -0.042 0.000 1.902 88 A HA -0.171 4.141 4.320 -0.012 0.000 0.217 88 A C 2.170 179.738 177.584 -0.027 0.000 1.181 88 A CA 1.933 53.956 52.037 -0.023 0.000 0.623 88 A CB -0.939 18.052 19.000 -0.015 0.000 0.818 88 A HN 0.358 nan 8.150 nan 0.000 0.443 89 V N -0.217 119.673 119.914 -0.039 0.000 2.358 89 V HA -0.226 3.887 4.120 -0.012 0.000 0.246 89 V C 3.028 179.098 176.094 -0.040 0.000 1.047 89 V CA 1.860 64.134 62.300 -0.043 0.000 1.035 89 V CB -1.213 30.575 31.823 -0.058 0.000 0.658 89 V HN 0.609 nan 8.190 nan 0.000 0.452 90 A N -0.005 122.784 122.820 -0.051 0.000 1.972 90 A HA -0.215 4.098 4.320 -0.012 0.000 0.219 90 A C 2.337 179.906 177.584 -0.026 0.000 1.169 90 A CA 1.625 53.629 52.037 -0.054 0.000 0.635 90 A CB -0.491 18.450 19.000 -0.099 0.000 0.810 90 A HN 0.528 nan 8.150 nan 0.000 0.446 91 R N -0.570 119.920 120.500 -0.016 0.000 2.152 91 R HA -0.043 4.290 4.340 -0.012 0.000 0.232 91 R C 2.277 178.579 176.300 0.003 0.000 1.117 91 R CA 1.081 57.183 56.100 0.003 0.000 0.981 91 R CB -0.318 29.989 30.300 0.010 0.000 0.870 91 R HN 0.532 nan 8.270 nan 0.000 0.451 92 A N 0.418 123.234 122.820 -0.006 0.000 1.903 92 A HA -0.042 4.271 4.320 -0.012 0.000 0.213 92 A C 0.243 177.827 177.584 -0.001 0.000 1.185 92 A CA 0.933 52.967 52.037 -0.005 0.000 0.628 92 A CB 0.330 19.324 19.000 -0.010 0.000 0.830 92 A HN 0.275 nan 8.150 nan 0.000 0.446 93 D N -3.776 116.620 120.400 -0.006 0.000 2.726 93 D HA 0.524 5.157 4.640 -0.012 0.000 0.203 93 D C 0.226 176.524 176.300 -0.004 0.000 1.297 93 D CA 0.247 54.250 54.000 0.005 0.000 0.863 93 D CB 1.016 41.820 40.800 0.007 0.000 1.669 93 D HN 0.086 nan 8.370 nan 0.000 0.561 94 A N 2.163 124.986 122.820 0.005 0.000 1.929 94 A HA -0.008 4.305 4.320 -0.012 0.000 0.216 94 A C 1.972 179.554 177.584 -0.004 0.000 1.176 94 A CA 1.466 53.489 52.037 -0.023 0.000 0.628 94 A CB -0.343 18.654 19.000 -0.006 0.000 0.816 94 A HN 0.491 nan 8.150 nan 0.000 0.444 95 S N -0.129 115.595 115.700 0.040 0.000 2.370 95 S HA -0.147 4.316 4.470 -0.012 0.000 0.226 95 S C 2.036 176.664 174.600 0.047 0.000 1.033 95 S CA 1.936 60.172 58.200 0.061 0.000 1.011 95 S CB -0.541 62.708 63.200 0.081 0.000 0.852 95 S HN 0.696 nan 8.310 nan 0.000 0.457 96 T N 2.232 116.802 114.554 0.026 0.000 2.746 96 T HA -0.014 4.328 4.350 -0.012 0.000 0.267 96 T C 2.135 176.898 174.700 0.106 0.000 1.039 96 T CA 1.162 63.306 62.100 0.074 0.000 1.142 96 T CB -0.469 68.388 68.868 -0.019 0.000 0.866 96 T HN 0.464 nan 8.240 nan 0.000 0.444 97 A N 1.269 124.104 122.820 0.025 0.000 1.933 97 A HA -0.012 4.300 4.320 -0.012 0.000 0.218 97 A C 2.229 179.837 177.584 0.040 0.000 1.175 97 A CA 1.275 53.316 52.037 0.006 0.000 0.628 97 A CB -0.726 18.237 19.000 -0.061 0.000 0.814 97 A HN 0.418 nan 8.150 nan 0.000 0.444 98 L N -0.380 120.856 121.223 0.022 0.000 2.056 98 L HA 0.029 4.362 4.340 -0.012 0.000 0.207 98 L C 2.616 179.551 176.870 0.108 0.000 1.078 98 L CA 2.152 57.006 54.840 0.023 0.000 0.749 98 L CB -0.851 41.212 42.059 0.007 0.000 0.901 98 L HN 0.315 nan 8.230 nan 0.000 0.433 99 A N -0.452 122.449 122.820 0.135 0.000 1.877 99 A HA -0.204 4.108 4.320 -0.012 0.000 0.216 99 A C 2.258 179.967 177.584 0.208 0.000 1.186 99 A CA 1.893 54.021 52.037 0.151 0.000 0.620 99 A CB -1.145 17.953 19.000 0.165 0.000 0.822 99 A HN 0.479 nan 8.150 nan 0.000 0.443 100 L N -0.234 121.185 121.223 0.327 0.000 2.043 100 L HA -0.251 4.081 4.340 -0.012 0.000 0.212 100 L C 2.443 179.382 176.870 0.115 0.000 1.075 100 L CA 2.756 57.747 54.840 0.251 0.000 0.752 100 L CB -0.819 41.319 42.059 0.132 0.000 0.891 100 L HN 0.687 nan 8.230 nan 0.000 0.432 101 H N -1.032 118.051 119.070 0.023 0.000 2.390 101 H HA -0.208 4.342 4.556 -0.010 0.000 0.298 101 H C 1.974 177.292 175.328 -0.017 0.000 1.106 101 H CA 2.145 58.183 56.048 -0.017 0.000 1.297 101 H CB 0.170 29.912 29.762 -0.034 0.000 1.375 101 H HN 0.282 nan 8.280 nan 0.000 0.509 102 M N 0.551 120.113 119.600 -0.064 0.000 2.117 102 M HA -0.134 4.339 4.480 -0.012 0.000 0.262 102 M C 2.503 178.699 176.300 -0.173 0.000 1.065 102 M CA 1.400 56.619 55.300 -0.135 0.000 1.114 102 M CB -1.127 31.451 32.600 -0.035 0.000 1.361 102 M HN 0.320 nan 8.290 nan 0.000 0.408 103 Q N 0.687 120.427 119.800 -0.100 0.000 2.016 103 Q HA -0.042 4.291 4.340 -0.012 0.000 0.200 103 Q C 2.033 177.957 176.000 -0.127 0.000 0.978 103 Q CA 1.468 57.215 55.803 -0.093 0.000 0.833 103 Q CB -0.268 28.462 28.738 -0.013 0.000 0.895 103 Q HN 0.523 nan 8.270 nan 0.000 0.427 104 L N 0.275 121.418 121.223 -0.132 0.000 2.046 104 L HA -0.160 4.173 4.340 -0.012 0.000 0.208 104 L C 2.562 179.324 176.870 -0.181 0.000 1.077 104 L CA 1.572 56.331 54.840 -0.134 0.000 0.747 104 L CB -0.861 41.138 42.059 -0.100 0.000 0.896 104 L HN 0.376 nan 8.230 nan 0.000 0.432 105 S N -0.457 115.054 115.700 -0.315 0.000 2.436 105 S HA -0.162 4.301 4.470 -0.012 0.000 0.228 105 S C 2.040 176.527 174.600 -0.189 0.000 1.014 105 S CA 0.483 58.511 58.200 -0.287 0.000 0.950 105 S CB -0.259 62.657 63.200 -0.473 0.000 0.784 105 S HN 0.214 nan 8.310 nan 0.000 0.504 106 R N 2.146 122.535 120.500 -0.185 0.000 2.120 106 R HA 0.072 4.404 4.340 -0.012 0.000 0.234 106 R C 2.308 178.548 176.300 -0.100 0.000 1.123 106 R CA 1.603 57.626 56.100 -0.128 0.000 0.975 106 R CB -1.541 28.680 30.300 -0.132 0.000 0.866 106 R HN 0.510 nan 8.270 nan 0.000 0.446 107 G N 0.381 109.117 108.800 -0.106 0.000 2.469 107 G HA2 -0.245 3.707 3.960 -0.012 0.000 0.219 107 G HA3 -0.245 3.707 3.960 -0.012 0.000 0.219 107 G C 1.394 176.267 174.900 -0.045 0.000 1.150 107 G CA 1.111 46.160 45.100 -0.085 0.000 0.763 107 G HN 0.354 nan 8.290 nan 0.000 0.561 108 L N 0.866 122.064 121.223 -0.041 0.000 2.072 108 L HA -0.025 4.308 4.340 -0.012 0.000 0.205 108 L C 3.271 180.165 176.870 0.040 0.000 1.079 108 L CA 1.695 56.536 54.840 0.001 0.000 0.752 108 L CB -0.811 41.233 42.059 -0.025 0.000 0.906 108 L HN 0.416 nan 8.230 nan 0.000 0.436 109 T N -2.635 111.920 114.554 0.001 0.000 3.014 109 T HA -0.002 4.341 4.350 -0.012 0.000 0.263 109 T C 1.869 176.628 174.700 0.099 0.000 1.078 109 T CA 0.417 62.535 62.100 0.030 0.000 1.135 109 T CB -0.276 68.571 68.868 -0.034 0.000 0.895 109 T HN 0.157 nan 8.240 nan 0.000 0.480 110 L N 1.047 122.301 121.223 0.052 0.000 2.093 110 L HA 0.142 4.475 4.340 -0.012 0.000 0.208 110 L C 3.125 180.080 176.870 0.141 0.000 1.085 110 L CA 1.237 56.116 54.840 0.065 0.000 0.755 110 L CB -0.971 41.077 42.059 -0.019 0.000 0.904 110 L HN 0.467 nan 8.230 nan 0.000 0.435 111 G N -1.051 107.828 108.800 0.132 0.000 2.462 111 G HA2 -0.346 3.606 3.960 -0.012 0.000 0.220 111 G HA3 -0.346 3.606 3.960 -0.012 0.000 0.220 111 G C 1.478 176.566 174.900 0.313 0.000 1.121 111 G CA 0.751 45.981 45.100 0.218 0.000 0.758 111 G HN 0.412 nan 8.290 nan 0.000 0.559 112 Y N 0.766 121.162 120.300 0.160 0.000 2.365 112 Y HA 0.082 4.625 4.550 -0.011 0.000 0.293 112 Y C 2.743 178.762 175.900 0.199 0.000 1.119 112 Y CA 1.221 59.444 58.100 0.206 0.000 1.203 112 Y CB 0.267 38.809 38.460 0.136 0.000 1.026 112 Y HN 0.122 nan 8.280 nan 0.000 0.549 113 E N -0.196 120.219 120.200 0.358 0.000 2.051 113 E HA -0.276 4.067 4.350 -0.012 0.000 0.192 113 E C 1.788 178.473 176.600 0.141 0.000 0.991 113 E CA 1.425 57.964 56.400 0.232 0.000 0.799 113 E CB -0.985 28.826 29.700 0.186 0.000 0.748 113 E HN 0.690 nan 8.360 nan 0.000 0.449 114 W N 2.129 123.416 121.300 -0.022 0.000 2.321 114 W HA -0.206 4.446 4.660 -0.013 0.000 0.306 114 W C 2.108 178.537 176.519 -0.149 0.000 1.217 114 W CA 1.942 59.245 57.345 -0.070 0.000 1.257 114 W CB -0.143 29.282 29.460 -0.059 0.000 1.145 114 W HN -0.055 nan 8.180 nan 0.000 0.509 115 R N -2.179 118.111 120.500 -0.351 0.000 2.210 115 R HA 0.010 4.342 4.340 -0.012 0.000 0.203 115 R C 1.120 176.850 176.300 -0.950 0.000 1.010 115 R CA 1.026 56.660 56.100 -0.778 0.000 1.008 115 R CB -0.191 29.663 30.300 -0.744 0.000 0.923 115 R HN 0.289 nan 8.270 nan 0.000 0.469 116 H N -1.475 117.373 119.070 -0.371 0.000 3.078 116 H HA 0.232 4.781 4.556 -0.012 0.000 0.263 116 H C 0.626 175.849 175.328 -0.175 0.000 1.177 116 H CA 0.006 55.851 56.048 -0.339 0.000 1.128 116 H CB 1.038 30.448 29.762 -0.587 0.000 1.623 116 H HN 0.118 nan 8.280 nan 0.000 0.592 117 G N 1.192 109.963 108.800 -0.049 0.000 2.528 117 G HA2 0.223 4.175 3.960 -0.012 0.000 0.289 117 G HA3 0.223 4.175 3.960 -0.012 0.000 0.289 117 G C 0.026 174.916 174.900 -0.016 0.000 1.192 117 G CA -0.418 44.692 45.100 0.016 0.000 0.921 117 G HN 0.172 nan 8.290 nan 0.000 0.512 118 D N -1.500 118.906 120.400 0.009 0.000 2.414 118 D HA 0.013 4.646 4.640 -0.012 0.000 0.259 118 D C 1.064 177.366 176.300 0.004 0.000 1.269 118 D CA -0.442 53.559 54.000 0.001 0.000 1.028 118 D CB 0.623 41.433 40.800 0.017 0.000 1.093 118 D HN 0.485 nan 8.370 nan 0.000 0.545 119 E N -1.052 119.152 120.200 0.007 0.000 2.208 119 E HA -0.160 4.183 4.350 -0.012 0.000 0.193 119 E C 1.952 178.573 176.600 0.035 0.000 0.988 119 E CA 0.153 56.559 56.400 0.010 0.000 0.828 119 E CB 0.141 29.845 29.700 0.008 0.000 0.763 119 E HN 0.372 nan 8.360 nan 0.000 0.478 120 R N 0.278 120.804 120.500 0.042 0.000 2.070 120 R HA -0.136 4.197 4.340 -0.012 0.000 0.233 120 R C 2.243 178.581 176.300 0.064 0.000 1.137 120 R CA 1.364 57.500 56.100 0.059 0.000 0.945 120 R CB -0.346 29.992 30.300 0.063 0.000 0.845 120 R HN 0.174 nan 8.270 nan 0.000 0.430 121 A N 1.347 124.201 122.820 0.057 0.000 1.865 121 A HA -0.189 4.123 4.320 -0.012 0.000 0.217 121 A C 2.247 179.883 177.584 0.085 0.000 1.191 121 A CA 1.541 53.616 52.037 0.064 0.000 0.623 121 A CB -0.545 18.494 19.000 0.064 0.000 0.826 121 A HN 0.363 nan 8.150 nan 0.000 0.444 122 R N -1.020 119.526 120.500 0.078 0.000 2.091 122 R HA -0.109 4.223 4.340 -0.012 0.000 0.238 122 R C 2.314 178.731 176.300 0.195 0.000 1.136 122 R CA 1.894 58.072 56.100 0.130 0.000 0.959 122 R CB -0.857 29.451 30.300 0.014 0.000 0.856 122 R HN 0.581 nan 8.270 nan 0.000 0.437 123 T N 1.768 116.393 114.554 0.119 0.000 2.708 123 T HA -0.129 4.214 4.350 -0.012 0.000 0.266 123 T C 1.768 176.516 174.700 0.081 0.000 1.037 123 T CA 1.158 63.322 62.100 0.105 0.000 1.146 123 T CB -0.233 68.682 68.868 0.080 0.000 0.865 123 T HN 0.107 nan 8.240 nan 0.000 0.435 124 L N 1.602 122.865 121.223 0.067 0.000 2.005 124 L HA 0.142 4.474 4.340 -0.012 0.000 0.207 124 L C 2.658 179.523 176.870 -0.009 0.000 1.072 124 L CA 1.991 56.844 54.840 0.022 0.000 0.744 124 L CB -1.183 40.889 42.059 0.021 0.000 0.895 124 L HN 0.211 nan 8.230 nan 0.000 0.433 125 A N -0.557 122.281 122.820 0.030 0.000 1.892 125 A HA -0.337 3.975 4.320 -0.012 0.000 0.218 125 A C 2.347 179.896 177.584 -0.058 0.000 1.188 125 A CA 2.169 54.215 52.037 0.015 0.000 0.631 125 A CB -0.956 18.117 19.000 0.121 0.000 0.822 125 A HN 0.676 nan 8.150 nan 0.000 0.447 126 E N -0.712 119.483 120.200 -0.008 0.000 2.077 126 E HA -0.255 4.087 4.350 -0.012 0.000 0.193 126 E C 2.277 178.785 176.600 -0.154 0.000 0.989 126 E CA 1.360 57.661 56.400 -0.165 0.000 0.800 126 E CB -0.120 29.592 29.700 0.019 0.000 0.746 126 E HN 0.581 nan 8.360 nan 0.000 0.452 127 R N 0.260 120.713 120.500 -0.078 0.000 2.073 127 R HA -0.112 4.221 4.340 -0.012 0.000 0.234 127 R C 2.416 178.633 176.300 -0.139 0.000 1.134 127 R CA 1.718 57.769 56.100 -0.081 0.000 0.952 127 R CB -0.238 30.041 30.300 -0.034 0.000 0.850 127 R HN 0.252 nan 8.270 nan 0.000 0.433 128 I N 0.521 120.985 120.570 -0.177 0.000 2.226 128 I HA -0.317 3.846 4.170 -0.012 0.000 0.245 128 I C 2.110 178.074 176.117 -0.255 0.000 1.100 128 I CA 1.237 62.372 61.300 -0.276 0.000 1.374 128 I CB -0.285 37.537 38.000 -0.297 0.000 1.057 128 I HN 0.221 nan 8.210 nan 0.000 0.413 129 L N 0.542 121.625 121.223 -0.233 0.000 2.012 129 L HA -0.209 4.124 4.340 -0.012 0.000 0.210 129 L C 2.843 179.577 176.870 -0.227 0.000 1.073 129 L CA 1.574 56.266 54.840 -0.246 0.000 0.748 129 L CB -0.622 41.242 42.059 -0.324 0.000 0.891 129 L HN 0.246 nan 8.230 nan 0.000 0.431 130 R N -0.036 120.332 120.500 -0.219 0.000 2.115 130 R HA -0.053 4.280 4.340 -0.012 0.000 0.230 130 R C 2.353 178.574 176.300 -0.132 0.000 1.111 130 R CA 1.098 57.099 56.100 -0.166 0.000 0.976 130 R CB -1.097 29.120 30.300 -0.138 0.000 0.870 130 R HN 0.370 nan 8.270 nan 0.000 0.445 131 G N 2.098 110.813 108.800 -0.141 0.000 2.513 131 G HA2 -0.302 3.651 3.960 -0.012 0.000 0.219 131 G HA3 -0.302 3.651 3.960 -0.012 0.000 0.219 131 G C 1.530 176.356 174.900 -0.123 0.000 1.160 131 G CA 1.229 46.253 45.100 -0.127 0.000 0.767 131 G HN 0.199 nan 8.290 nan 0.000 0.571 132 M N -0.147 119.361 119.600 -0.153 0.000 2.117 132 M HA -0.038 4.434 4.480 -0.012 0.000 0.262 132 M C 2.662 178.904 176.300 -0.096 0.000 1.065 132 M CA 0.854 56.077 55.300 -0.129 0.000 1.114 132 M CB -0.301 32.212 32.600 -0.145 0.000 1.361 132 M HN 0.111 nan 8.290 nan 0.000 0.408 133 V N 0.429 120.281 119.914 -0.103 0.000 2.358 133 V HA -0.211 3.902 4.120 -0.012 0.000 0.246 133 V C 2.573 178.631 176.094 -0.060 0.000 1.047 133 V CA 1.934 64.184 62.300 -0.083 0.000 1.035 133 V CB -1.194 30.573 31.823 -0.093 0.000 0.658 133 V HN 0.527 nan 8.190 nan 0.000 0.452 134 A N -0.615 122.170 122.820 -0.059 0.000 2.121 134 A HA 0.251 4.563 4.320 -0.012 0.000 0.218 134 A C 2.119 179.687 177.584 -0.026 0.000 1.154 134 A CA 1.429 53.443 52.037 -0.039 0.000 0.679 134 A CB -0.594 18.384 19.000 -0.037 0.000 0.795 134 A HN 1.256 nan 8.150 nan 0.000 0.458 135 G N -1.181 107.602 108.800 -0.029 0.000 2.175 135 G HA2 -0.231 3.721 3.960 -0.012 0.000 0.244 135 G HA3 -0.231 3.721 3.960 -0.012 0.000 0.244 135 G C 0.399 175.299 174.900 -0.000 0.000 0.982 135 G CA 0.591 45.685 45.100 -0.011 0.000 0.641 135 G HN 0.462 nan 8.290 nan 0.000 0.527 136 D N 0.297 120.692 120.400 -0.009 0.000 2.346 136 D HA 0.423 5.055 4.640 -0.012 0.000 0.206 136 D C 1.318 177.635 176.300 0.028 0.000 1.001 136 D CA 1.090 55.099 54.000 0.015 0.000 0.871 136 D CB 0.482 41.294 40.800 0.020 0.000 0.943 136 D HN 0.840 nan 8.370 nan 0.000 0.518 137 A N 0.902 123.701 122.820 -0.035 0.000 2.319 137 A HA 0.547 4.860 4.320 -0.012 0.000 0.310 137 A C -0.640 176.890 177.584 -0.091 0.000 1.152 137 A CA -0.497 51.486 52.037 -0.089 0.000 0.783 137 A CB 1.541 20.329 19.000 -0.354 0.000 1.184 137 A HN -0.077 nan 8.150 nan 0.000 0.474 138 V N 3.852 123.735 119.914 -0.051 0.000 2.350 138 V HA 0.335 4.448 4.120 -0.012 0.000 0.285 138 V C -0.433 175.541 176.094 -0.200 0.000 1.014 138 V CA -0.463 61.775 62.300 -0.103 0.000 0.831 138 V CB 1.444 33.219 31.823 -0.079 0.000 1.000 138 V HN 0.627 nan 8.190 nan 0.000 0.433 139 V N 4.498 124.284 119.914 -0.214 0.000 2.328 139 V HA 0.364 4.477 4.120 -0.012 0.000 0.278 139 V C 0.186 176.119 176.094 -0.267 0.000 1.021 139 V CA -0.361 61.788 62.300 -0.253 0.000 0.838 139 V CB 1.100 32.798 31.823 -0.209 0.000 0.999 139 V HN 0.932 nan 8.190 nan 0.000 0.447 140 C N 3.044 122.106 119.300 -0.397 0.000 2.349 140 C HA 0.723 5.176 4.460 -0.012 0.000 0.361 140 C C 0.744 175.678 174.990 -0.093 0.000 1.189 140 C CA -0.409 58.446 59.018 -0.270 0.000 2.155 140 C CB 1.615 29.128 27.740 -0.378 0.000 2.336 140 C HN 0.811 nan 8.230 nan 0.000 0.540 141 S N 0.292 115.997 115.700 0.008 0.000 2.552 141 S HA 0.631 5.093 4.470 -0.012 0.000 0.314 141 S C -0.076 174.598 174.600 0.124 0.000 1.099 141 S CA -0.280 57.952 58.200 0.054 0.000 1.070 141 S CB 1.424 64.636 63.200 0.020 0.000 0.998 141 S HN 1.040 nan 8.310 nan 0.000 0.474 142 G N 2.337 111.243 108.800 0.176 0.000 2.547 142 G HA2 0.563 4.516 3.960 -0.012 0.000 0.327 142 G HA3 0.563 4.516 3.960 -0.012 0.000 0.327 142 G C 0.181 175.171 174.900 0.150 0.000 1.118 142 G CA -0.454 44.774 45.100 0.214 0.000 1.022 142 G HN 0.725 nan 8.290 nan 0.000 0.464 143 I N 0.910 121.547 120.570 0.112 0.000 3.136 143 I HA 0.249 4.411 4.170 -0.012 0.000 0.262 143 I C 1.211 177.381 176.117 0.088 0.000 1.132 143 I CA 0.222 61.572 61.300 0.083 0.000 1.450 143 I CB 0.325 38.362 38.000 0.063 0.000 1.315 143 I HN 0.263 nan 8.210 nan 0.000 0.460 144 K N 2.042 122.495 120.400 0.089 0.000 2.234 144 K HA 0.141 4.454 4.320 -0.012 0.000 0.277 144 K C -0.862 175.799 176.600 0.102 0.000 1.038 144 K CA -0.516 55.822 56.287 0.086 0.000 0.888 144 K CB 0.791 33.335 32.500 0.074 0.000 1.091 144 K HN -0.084 nan 8.250 nan 0.000 0.467 145 D N 2.886 123.347 120.400 0.102 0.000 2.458 145 D HA -0.042 4.590 4.640 -0.012 0.000 0.243 145 D C -0.077 176.293 176.300 0.117 0.000 1.146 145 D CA 0.342 54.413 54.000 0.118 0.000 0.877 145 D CB 0.446 41.308 40.800 0.104 0.000 1.176 145 D HN 0.557 nan 8.370 nan 0.000 0.461 146 H N 0.858 119.939 119.070 0.019 0.000 2.852 146 H HA -0.046 4.503 4.556 -0.012 0.000 0.362 146 H C 1.487 176.800 175.328 -0.025 0.000 1.122 146 H CA 0.276 56.312 56.048 -0.020 0.000 1.419 146 H CB 0.647 30.350 29.762 -0.097 0.000 1.401 146 H HN 0.599 nan 8.280 nan 0.000 0.609 147 H N 0.352 119.231 119.070 -0.318 0.000 2.457 147 H HA -0.079 4.470 4.556 -0.012 0.000 0.294 147 H C 1.800 177.177 175.328 0.080 0.000 1.064 147 H CA 1.351 57.345 56.048 -0.090 0.000 1.330 147 H CB -0.527 29.144 29.762 -0.152 0.000 1.395 147 H HN 0.604 nan 8.280 nan 0.000 0.541 148 T N -2.433 112.060 114.554 -0.102 0.000 3.163 148 T HA 0.379 4.722 4.350 -0.012 0.000 0.260 148 T C 0.736 175.468 174.700 0.053 0.000 1.156 148 T CA 0.156 62.267 62.100 0.019 0.000 1.072 148 T CB -0.474 68.371 68.868 -0.039 0.000 0.937 148 T HN 0.659 nan 8.240 nan 0.000 0.528 149 A N 0.143 123.011 122.820 0.079 0.000 2.547 149 A HA 0.688 5.001 4.320 -0.012 0.000 0.297 149 A C -1.104 176.529 177.584 0.082 0.000 1.056 149 A CA -0.759 51.318 52.037 0.067 0.000 0.688 149 A CB 2.032 21.060 19.000 0.047 0.000 1.282 149 A HN 0.624 nan 8.150 nan 0.000 0.400 150 V N 2.216 122.175 119.914 0.075 0.000 2.350 150 V HA 0.598 4.711 4.120 -0.012 0.000 0.285 150 V C -0.156 175.988 176.094 0.083 0.000 1.014 150 V CA -0.039 62.307 62.300 0.076 0.000 0.831 150 V CB 1.175 33.035 31.823 0.061 0.000 1.000 150 V HN 0.923 nan 8.190 nan 0.000 0.433 151 T N 6.249 120.863 114.554 0.100 0.000 2.752 151 T HA 0.419 4.762 4.350 -0.012 0.000 0.295 151 T C 0.219 174.949 174.700 0.050 0.000 0.923 151 T CA 0.389 62.560 62.100 0.118 0.000 1.112 151 T CB 0.223 69.192 68.868 0.169 0.000 0.884 151 T HN 1.032 nan 8.240 nan 0.000 0.525 152 T N 1.952 116.533 114.554 0.045 0.000 2.900 152 T HA 0.679 5.022 4.350 -0.012 0.000 0.295 152 T C -0.564 174.143 174.700 0.011 0.000 1.044 152 T CA -0.994 61.120 62.100 0.022 0.000 0.995 152 T CB 1.120 70.017 68.868 0.048 0.000 1.072 152 T HN 0.356 nan 8.240 nan 0.000 0.473 153 L N 2.164 123.380 121.223 -0.012 0.000 2.307 153 L HA 0.614 4.946 4.340 -0.012 0.000 0.284 153 L C 0.341 177.351 176.870 0.234 0.000 1.023 153 L CA -0.859 53.995 54.840 0.024 0.000 0.810 153 L CB 1.578 43.484 42.059 -0.255 0.000 1.231 153 L HN 0.606 nan 8.230 nan 0.000 0.423 154 R N 4.875 125.573 120.500 0.331 0.000 2.599 154 R HA 0.498 4.831 4.340 -0.012 0.000 0.295 154 R C -2.578 173.896 176.300 0.289 0.000 0.963 154 R CA -1.785 54.486 56.100 0.285 0.000 0.883 154 R CB 2.501 32.890 30.300 0.148 0.000 1.171 154 R HN 0.278 nan 8.270 nan 0.000 0.450 155 P HA 0.034 nan 4.420 nan 0.000 0.271 155 P C -0.522 176.675 177.300 -0.172 0.000 1.218 155 P CA -0.055 62.855 63.100 -0.316 0.000 0.780 155 P CB 0.763 32.230 31.700 -0.388 0.000 0.901 156 D N 0.935 121.204 120.400 -0.218 0.000 2.328 156 D HA 0.073 4.706 4.640 -0.012 0.000 0.226 156 D C 1.425 177.658 176.300 -0.110 0.000 1.066 156 D CA 0.283 54.218 54.000 -0.108 0.000 0.861 156 D CB -0.665 40.090 40.800 -0.073 0.000 0.912 156 D HN 0.636 nan 8.370 nan 0.000 0.521 157 G N -0.047 108.666 108.800 -0.145 0.000 2.304 157 G HA2 -0.278 3.675 3.960 -0.012 0.000 0.252 157 G HA3 -0.278 3.675 3.960 -0.012 0.000 0.252 157 G C 0.901 175.732 174.900 -0.114 0.000 1.014 157 G CA 0.260 45.292 45.100 -0.112 0.000 0.619 157 G HN 1.010 nan 8.290 nan 0.000 0.525 158 A N -0.267 122.476 122.820 -0.128 0.000 2.631 158 A HA 0.701 5.014 4.320 -0.012 0.000 0.294 158 A C 2.022 179.524 177.584 -0.136 0.000 1.156 158 A CA 1.433 53.405 52.037 -0.108 0.000 0.963 158 A CB -0.297 18.656 19.000 -0.079 0.000 1.202 158 A HN 2.362 nan 8.150 nan 0.000 0.523 159 G N -1.788 106.890 108.800 -0.203 0.000 2.175 159 G HA2 0.000 3.953 3.960 -0.012 0.000 0.244 159 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 159 G C 0.753 175.475 174.900 -0.297 0.000 0.982 159 G CA 0.255 45.218 45.100 -0.228 0.000 0.641 159 G HN 1.498 nan 8.290 nan 0.000 0.527 160 G N -1.463 107.142 108.800 -0.324 0.000 3.119 160 G HA2 0.692 4.644 3.960 -0.012 0.000 0.206 160 G HA3 0.692 4.644 3.960 -0.012 0.000 0.206 160 G C -0.818 173.771 174.900 -0.518 0.000 1.313 160 G CA -0.588 44.330 45.100 -0.303 0.000 1.010 160 G HN 0.485 nan 8.290 nan 0.000 0.578 161 W N -1.533 119.752 121.300 -0.024 0.000 3.047 161 W HA 0.715 5.368 4.660 -0.011 0.000 0.341 161 W C -0.953 175.554 176.519 -0.020 0.000 1.225 161 W CA -0.694 56.639 57.345 -0.020 0.000 1.150 161 W CB 1.662 31.108 29.460 -0.023 0.000 1.470 161 W HN 0.237 nan 8.180 nan 0.000 0.578 162 L N 2.604 123.986 121.223 0.266 0.000 2.410 162 L HA 0.591 4.923 4.340 -0.012 0.000 0.270 162 L C -1.193 175.755 176.870 0.130 0.000 0.983 162 L CA -1.143 53.786 54.840 0.148 0.000 0.822 162 L CB 1.653 43.772 42.059 0.100 0.000 1.285 162 L HN 0.219 nan 8.230 nan 0.000 0.409 163 L N 3.327 124.593 121.223 0.073 0.000 2.305 163 L HA 0.731 5.064 4.340 -0.012 0.000 0.284 163 L C -0.283 176.640 176.870 0.088 0.000 1.013 163 L CA 0.157 54.998 54.840 0.003 0.000 0.819 163 L CB 1.672 43.635 42.059 -0.159 0.000 1.227 163 L HN 0.685 nan 8.230 nan 0.000 0.417 164 S N 2.818 118.585 115.700 0.112 0.000 2.548 164 S HA 1.061 5.523 4.470 -0.012 0.000 0.286 164 S C -0.228 174.517 174.600 0.243 0.000 1.098 164 S CA -0.107 58.209 58.200 0.194 0.000 0.930 164 S CB 1.840 65.113 63.200 0.123 0.000 1.070 164 S HN 1.409 nan 8.310 nan 0.000 0.480 165 G N 0.714 109.694 108.800 0.299 0.000 2.356 165 G HA2 0.483 4.436 3.960 -0.012 0.000 0.266 165 G HA3 0.483 4.436 3.960 -0.012 0.000 0.266 165 G C -1.629 173.334 174.900 0.105 0.000 1.312 165 G CA -0.355 44.891 45.100 0.244 0.000 0.922 165 G HN 1.287 nan 8.290 nan 0.000 0.480 166 R N -0.241 120.294 120.500 0.058 0.000 2.563 166 R HA 0.637 4.970 4.340 -0.012 0.000 0.262 166 R C -1.523 174.773 176.300 -0.006 0.000 1.128 166 R CA -0.814 55.171 56.100 -0.192 0.000 0.969 166 R CB 1.528 31.677 30.300 -0.252 0.000 1.251 166 R HN 0.481 nan 8.270 nan 0.000 0.442 167 K N 1.884 122.249 120.400 -0.059 0.000 2.267 167 K HA 0.523 4.836 4.320 -0.012 0.000 0.246 167 K C -0.876 175.753 176.600 0.047 0.000 0.954 167 K CA -0.809 55.533 56.287 0.091 0.000 0.824 167 K CB 2.290 34.910 32.500 0.201 0.000 1.167 167 K HN 0.716 nan 8.250 nan 0.000 0.431 168 T N 0.603 115.210 114.554 0.088 0.000 2.942 168 T HA 0.482 4.824 4.350 -0.012 0.000 0.289 168 T C -0.080 174.647 174.700 0.046 0.000 1.044 168 T CA -0.624 61.526 62.100 0.084 0.000 1.023 168 T CB 0.269 69.213 68.868 0.127 0.000 1.123 168 T HN 0.595 nan 8.240 nan 0.000 0.512 169 L N 1.843 123.071 121.223 0.008 0.000 3.548 169 L HA -0.107 4.225 4.340 -0.012 0.000 0.443 169 L C -0.377 176.442 176.870 -0.084 0.000 1.286 169 L CA -0.179 54.610 54.840 -0.086 0.000 0.863 169 L CB -1.829 40.198 42.059 -0.053 0.000 1.734 169 L HN 0.343 nan 8.230 nan 0.000 0.873 170 V N 0.347 120.225 119.914 -0.059 0.000 2.284 170 V HA 0.211 4.323 4.120 -0.012 0.000 0.260 170 V C 1.089 177.144 176.094 -0.066 0.000 1.084 170 V CA 0.007 62.305 62.300 -0.003 0.000 0.894 170 V CB 1.257 33.140 31.823 0.099 0.000 1.119 170 V HN 0.404 nan 8.190 nan 0.000 0.484 171 S N 4.523 120.163 115.700 -0.099 0.000 2.572 171 S HA 0.323 4.785 4.470 -0.012 0.000 0.279 171 S C 1.014 175.540 174.600 -0.125 0.000 1.341 171 S CA 0.083 58.206 58.200 -0.128 0.000 1.043 171 S CB 0.489 63.639 63.200 -0.083 0.000 0.887 171 S HN 0.944 nan 8.310 nan 0.000 0.516 172 M N 0.241 119.731 119.600 -0.183 0.000 2.931 172 M HA -0.315 4.157 4.480 -0.012 0.000 0.190 172 M C 1.184 177.193 176.300 -0.485 0.000 0.626 172 M CA 0.920 55.979 55.300 -0.400 0.000 0.722 172 M CB -1.689 30.746 32.600 -0.276 0.000 2.597 172 M HN 0.818 nan 8.290 nan 0.000 0.299 173 A N -0.024 122.649 122.820 -0.245 0.000 1.986 173 A HA -0.132 4.180 4.320 -0.012 0.000 0.220 173 A C -0.643 176.873 177.584 -0.113 0.000 1.171 173 A CA 1.984 54.021 52.037 0.000 0.000 0.640 173 A CB -1.367 17.721 19.000 0.148 0.000 0.811 173 A HN 0.598 nan 8.150 nan 0.000 0.451 174 P HA -0.094 nan 4.420 nan 0.000 0.219 174 P C 1.096 178.215 177.300 -0.302 0.000 1.146 174 P CA 1.736 64.620 63.100 -0.359 0.000 0.808 174 P CB -0.060 31.324 31.700 -0.526 0.000 0.779 175 V N -5.513 114.138 119.914 -0.438 0.000 3.319 175 V HA 0.472 4.584 4.120 -0.012 0.000 0.317 175 V C 0.847 176.853 176.094 -0.147 0.000 1.411 175 V CA -0.156 62.013 62.300 -0.220 0.000 1.112 175 V CB -0.411 31.308 31.823 -0.173 0.000 1.031 175 V HN -0.081 nan 8.190 nan 0.000 0.448 176 G N 1.010 109.725 108.800 -0.142 0.000 2.442 176 G HA2 0.413 4.366 3.960 -0.012 0.000 0.249 176 G HA3 0.413 4.366 3.960 -0.012 0.000 0.249 176 G C 0.807 175.651 174.900 -0.094 0.000 1.263 176 G CA 0.678 45.598 45.100 -0.299 0.000 0.846 176 G HN 0.591 nan 8.290 nan 0.000 0.555 177 T N -1.333 113.142 114.554 -0.131 0.000 2.978 177 T HA 0.221 4.564 4.350 -0.012 0.000 0.248 177 T C 0.432 175.077 174.700 -0.092 0.000 1.018 177 T CA 0.272 62.384 62.100 0.019 0.000 1.026 177 T CB 0.221 69.157 68.868 0.113 0.000 1.032 177 T HN 0.469 nan 8.240 nan 0.000 0.485 178 H N -0.462 118.426 119.070 -0.304 0.000 2.717 178 H HA 0.639 5.187 4.556 -0.012 0.000 0.366 178 H C -1.776 173.272 175.328 -0.466 0.000 1.132 178 H CA -1.172 54.744 56.048 -0.221 0.000 1.180 178 H CB 1.410 31.057 29.762 -0.192 0.000 1.678 178 H HN 0.174 nan 8.280 nan 0.000 0.537 179 F N 1.645 121.574 119.950 -0.035 0.000 2.553 179 F HA 0.350 4.870 4.527 -0.013 0.000 0.335 179 F C -0.489 175.284 175.800 -0.045 0.000 1.148 179 F CA -0.964 57.024 58.000 -0.021 0.000 0.963 179 F CB 1.409 40.409 39.000 0.001 0.000 1.217 179 F HN 0.199 nan 8.300 nan 0.000 0.441 180 V N 5.467 125.425 119.914 0.073 0.000 2.432 180 V HA 0.304 4.417 4.120 -0.012 0.000 0.271 180 V C 0.077 176.200 176.094 0.048 0.000 1.046 180 V CA -0.301 62.013 62.300 0.023 0.000 0.945 180 V CB 0.778 32.592 31.823 -0.015 0.000 0.992 180 V HN 0.408 nan 8.190 nan 0.000 0.471 181 I N 4.332 124.898 120.570 -0.007 0.000 2.465 181 I HA 0.428 4.590 4.170 -0.012 0.000 0.291 181 I C -0.204 175.888 176.117 -0.042 0.000 1.014 181 I CA -0.947 60.347 61.300 -0.009 0.000 1.093 181 I CB 1.958 39.858 38.000 -0.167 0.000 1.267 181 I HN 0.505 nan 8.210 nan 0.000 0.431 182 N N 4.836 123.538 118.700 0.002 0.000 2.422 182 N HA 0.637 5.370 4.740 -0.012 0.000 0.264 182 N C -0.264 175.231 175.510 -0.026 0.000 1.063 182 N CA -0.087 52.955 53.050 -0.013 0.000 0.959 182 N CB 1.597 40.093 38.487 0.016 0.000 1.087 182 N HN 0.780 nan 8.380 nan 0.000 0.483 183 A N 2.148 124.928 122.820 -0.066 0.000 2.564 183 A HA 0.841 5.154 4.320 -0.012 0.000 0.288 183 A C -0.748 176.791 177.584 -0.074 0.000 1.164 183 A CA -0.884 51.108 52.037 -0.074 0.000 0.712 183 A CB 1.578 20.492 19.000 -0.144 0.000 1.303 183 A HN 0.697 nan 8.150 nan 0.000 0.418 184 R N -0.266 120.200 120.500 -0.057 0.000 2.740 184 R HA 0.707 5.040 4.340 -0.012 0.000 0.282 184 R C -0.127 176.137 176.300 -0.060 0.000 0.969 184 R CA 0.009 56.078 56.100 -0.052 0.000 0.918 184 R CB 1.201 31.495 30.300 -0.010 0.000 1.175 184 R HN 0.799 nan 8.270 nan 0.000 0.464 185 T N -1.472 113.044 114.554 -0.062 0.000 2.766 185 T HA 0.169 4.511 4.350 -0.012 0.000 0.295 185 T C -0.016 174.725 174.700 0.069 0.000 1.024 185 T CA -0.196 61.903 62.100 -0.002 0.000 1.018 185 T CB 0.645 69.548 68.868 0.059 0.000 1.002 185 T HN 0.727 nan 8.240 nan 0.000 0.532 186 D N -0.542 119.941 120.400 0.137 0.000 3.937 186 D HA 0.282 4.914 4.640 -0.012 0.000 0.250 186 D C 0.214 176.595 176.300 0.135 0.000 1.434 186 D CA -0.217 53.852 54.000 0.115 0.000 0.834 186 D CB -0.265 40.584 40.800 0.081 0.000 1.395 186 D HN 0.910 nan 8.370 nan 0.000 0.778 191 P HA 0.667 nan 4.420 nan 0.000 0.283 191 P C -2.810 174.517 177.300 0.045 0.000 1.271 191 P CA -1.512 61.612 63.100 0.040 0.000 0.841 191 P CB 0.526 32.245 31.700 0.032 0.000 1.122 192 P HA 0.130 nan 4.420 nan 0.000 0.265 192 P C -0.271 177.046 177.300 0.027 0.000 1.187 192 P CA 0.285 63.408 63.100 0.038 0.000 0.766 192 P CB 0.445 32.164 31.700 0.031 0.000 0.820 193 R N 1.856 122.367 120.500 0.017 0.000 2.888 193 R HA 0.604 4.937 4.340 -0.012 0.000 0.266 193 R C -0.523 175.759 176.300 -0.029 0.000 1.020 193 R CA -1.185 54.915 56.100 0.000 0.000 0.963 193 R CB 0.967 31.269 30.300 0.004 0.000 1.197 193 R HN 0.294 nan 8.270 nan 0.000 0.481 194 L N 1.105 122.310 121.223 -0.030 0.000 2.350 194 L HA 0.642 4.975 4.340 -0.012 0.000 0.275 194 L C 0.077 176.900 176.870 -0.080 0.000 1.099 194 L CA -0.397 54.416 54.840 -0.046 0.000 0.808 194 L CB 1.359 43.403 42.059 -0.024 0.000 1.149 194 L HN 0.780 nan 8.230 nan 0.000 0.442 195 A N 1.511 124.261 122.820 -0.117 0.000 2.549 195 A HA 0.706 5.018 4.320 -0.012 0.000 0.297 195 A C -0.781 176.713 177.584 -0.150 0.000 1.061 195 A CA -0.480 51.454 52.037 -0.171 0.000 0.690 195 A CB 1.776 20.586 19.000 -0.316 0.000 1.287 195 A HN 0.496 nan 8.150 nan 0.000 0.402 196 S N 3.621 119.241 115.700 -0.133 0.000 2.328 196 S HA 0.473 4.936 4.470 -0.012 0.000 0.204 196 S C -2.674 171.848 174.600 -0.129 0.000 1.475 196 S CA -0.994 57.140 58.200 -0.109 0.000 1.148 196 S CB 0.401 63.564 63.200 -0.062 0.000 1.077 196 S HN 0.599 nan 8.310 nan 0.000 0.479 197 P HA 0.184 nan 4.420 nan 0.000 0.271 197 P C -0.671 176.560 177.300 -0.114 0.000 1.218 197 P CA -0.303 62.697 63.100 -0.166 0.000 0.780 197 P CB 0.789 32.347 31.700 -0.237 0.000 0.901 198 V N 4.021 123.894 119.914 -0.068 0.000 2.347 198 V HA 0.205 4.317 4.120 -0.012 0.000 0.280 198 V C 0.498 176.554 176.094 -0.064 0.000 1.021 198 V CA -0.684 61.580 62.300 -0.059 0.000 0.847 198 V CB 1.652 33.430 31.823 -0.076 0.000 0.990 198 V HN 0.383 nan 8.190 nan 0.000 0.444 199 V N 6.061 125.913 119.914 -0.103 0.000 2.472 199 V HA 0.745 4.858 4.120 -0.012 0.000 0.290 199 V C 0.464 176.428 176.094 -0.217 0.000 1.037 199 V CA 0.092 62.272 62.300 -0.200 0.000 0.908 199 V CB 2.206 33.815 31.823 -0.357 0.000 0.985 199 V HN 1.045 nan 8.190 nan 0.000 0.454 200 T N 3.134 117.539 114.554 -0.250 0.000 2.944 200 T HA 0.402 4.745 4.350 -0.012 0.000 0.284 200 T C 0.962 175.521 174.700 -0.235 0.000 1.010 200 T CA -0.423 61.511 62.100 -0.277 0.000 1.025 200 T CB 1.348 70.032 68.868 -0.308 0.000 1.079 200 T HN 0.725 nan 8.240 nan 0.000 0.516 201 R N 0.182 120.647 120.500 -0.058 0.000 2.148 201 R HA -0.086 4.247 4.340 -0.012 0.000 0.227 201 R C 0.912 177.294 176.300 0.136 0.000 1.103 201 R CA 1.865 58.045 56.100 0.135 0.000 0.983 201 R CB -0.427 30.018 30.300 0.241 0.000 0.874 201 R HN 0.895 nan 8.270 nan 0.000 0.451 202 D N -1.142 119.283 120.400 0.042 0.000 2.325 202 D HA -0.002 4.631 4.640 -0.012 0.000 0.234 202 D C -0.394 175.935 176.300 0.048 0.000 1.122 202 D CA -0.049 53.983 54.000 0.054 0.000 0.850 202 D CB 0.324 41.139 40.800 0.026 0.000 0.921 202 D HN -0.152 nan 8.370 nan 0.000 0.513 203 T N 2.236 116.811 114.554 0.034 0.000 2.901 203 T HA 0.236 4.579 4.350 -0.012 0.000 0.301 203 T C -2.305 172.458 174.700 0.105 0.000 1.012 203 T CA -1.067 61.058 62.100 0.041 0.000 1.135 203 T CB 1.061 69.919 68.868 -0.017 0.000 0.936 203 T HN 0.059 nan 8.240 nan 0.000 0.539 204 P HA 0.284 nan 4.420 nan 0.000 0.269 204 P C 1.044 178.407 177.300 0.106 0.000 1.209 204 P CA 0.342 63.489 63.100 0.077 0.000 0.776 204 P CB 0.360 32.090 31.700 0.050 0.000 0.876 205 G N 1.051 109.905 108.800 0.090 0.000 2.205 205 G HA2 -0.274 3.679 3.960 -0.012 0.000 0.261 205 G HA3 -0.274 3.679 3.960 -0.012 0.000 0.261 205 G C -0.165 174.817 174.900 0.136 0.000 0.980 205 G CA -0.303 44.855 45.100 0.096 0.000 0.632 205 G HN 0.531 nan 8.290 nan 0.000 0.533 206 F N 3.181 123.128 119.950 -0.005 0.000 2.391 206 F HA 0.668 5.187 4.527 -0.013 0.000 0.359 206 F C 0.154 175.885 175.800 -0.115 0.000 1.122 206 F CA -0.300 57.679 58.000 -0.035 0.000 1.120 206 F CB 1.509 40.495 39.000 -0.024 0.000 1.142 206 F HN -0.009 nan 8.300 nan 0.000 0.483 207 T N 5.777 119.842 114.554 -0.816 0.000 2.824 207 T HA 0.464 4.807 4.350 -0.012 0.000 0.282 207 T C -0.878 173.248 174.700 -0.956 0.000 0.993 207 T CA -0.628 61.049 62.100 -0.705 0.000 0.967 207 T CB 1.663 70.287 68.868 -0.406 0.000 0.960 207 T HN 0.266 nan 8.240 nan 0.000 0.441 208 V N 4.890 124.383 119.914 -0.702 0.000 2.385 208 V HA 0.359 4.472 4.120 -0.012 0.000 0.269 208 V C 0.345 176.264 176.094 -0.291 0.000 1.043 208 V CA -0.600 61.403 62.300 -0.495 0.000 0.906 208 V CB 0.457 32.093 31.823 -0.312 0.000 0.995 208 V HN 0.706 nan 8.190 nan 0.000 0.467 209 L N 3.341 124.416 121.223 -0.246 0.000 2.488 209 L HA 0.537 4.870 4.340 -0.012 0.000 0.249 209 L C 0.302 177.124 176.870 -0.080 0.000 1.151 209 L CA -0.368 54.378 54.840 -0.155 0.000 0.806 209 L CB 0.568 42.540 42.059 -0.144 0.000 1.261 209 L HN 0.588 nan 8.230 nan 0.000 0.484 210 D N -0.496 119.882 120.400 -0.036 0.000 2.945 210 D HA 0.067 4.699 4.640 -0.012 0.000 0.369 210 D C -0.152 176.175 176.300 0.045 0.000 1.294 210 D CA -0.274 53.733 54.000 0.012 0.000 0.778 210 D CB 0.024 40.826 40.800 0.003 0.000 1.188 210 D HN 0.515 nan 8.370 nan 0.000 0.479 211 N N 0.115 118.860 118.700 0.075 0.000 2.282 211 N HA 0.001 4.734 4.740 -0.012 0.000 0.240 211 N C -0.385 175.233 175.510 0.179 0.000 1.182 211 N CA -0.619 52.483 53.050 0.086 0.000 0.874 211 N CB -0.272 38.249 38.487 0.057 0.000 1.126 211 N HN 0.319 nan 8.380 nan 0.000 0.516 212 W N 1.600 122.906 121.300 0.010 0.000 2.335 212 W HA 0.359 5.010 4.660 -0.015 0.000 0.306 212 W C -1.474 175.063 176.519 0.030 0.000 1.216 212 W CA -0.319 57.042 57.345 0.026 0.000 1.237 212 W CB 0.918 30.402 29.460 0.040 0.000 1.243 212 W HN -0.065 nan 8.180 nan 0.000 0.493 213 D N 4.810 124.791 120.400 -0.698 0.000 2.405 213 D HA 0.302 4.934 4.640 -0.012 0.000 0.264 213 D C 0.103 175.810 176.300 -0.988 0.000 1.240 213 D CA -0.162 53.435 54.000 -0.671 0.000 0.893 213 D CB 0.527 41.144 40.800 -0.306 0.000 1.198 213 D HN 0.423 nan 8.370 nan 0.000 0.514 214 G N 1.083 109.053 108.800 -1.384 0.000 2.451 214 G HA2 0.315 4.267 3.960 -0.012 0.000 0.303 214 G HA3 0.315 4.267 3.960 -0.012 0.000 0.303 214 G C 0.858 175.527 174.900 -0.386 0.000 1.166 214 G CA -0.577 43.857 45.100 -1.110 0.000 0.884 214 G HN 0.402 nan 8.290 nan 0.000 0.514 215 L N 1.458 122.570 121.223 -0.184 0.000 2.027 215 L HA 0.300 4.633 4.340 -0.012 0.000 0.206 215 L C 1.332 178.207 176.870 0.008 0.000 1.074 215 L CA 2.347 57.146 54.840 -0.068 0.000 0.745 215 L CB -0.717 41.331 42.059 -0.018 0.000 0.898 215 L HN 0.633 nan 8.230 nan 0.000 0.433 216 G N -3.682 105.178 108.800 0.099 0.000 3.211 216 G HA2 0.458 4.410 3.960 -0.012 0.000 0.262 216 G HA3 0.458 4.410 3.960 -0.012 0.000 0.262 216 G C -0.264 174.818 174.900 0.303 0.000 1.352 216 G CA -0.238 44.963 45.100 0.168 0.000 1.004 216 G HN 0.002 nan 8.290 nan 0.000 0.559 217 M N -0.772 119.006 119.600 0.297 0.000 2.393 217 M HA -0.168 4.304 4.480 -0.012 0.000 0.201 217 M C 1.430 178.035 176.300 0.508 0.000 0.403 217 M CA 0.333 55.842 55.300 0.348 0.000 0.471 217 M CB -1.649 31.160 32.600 0.349 0.000 1.669 217 M HN 0.762 nan 8.290 nan 0.000 0.864 218 R N -0.250 120.460 120.500 0.349 0.000 2.148 218 R HA 0.082 4.415 4.340 -0.012 0.000 0.227 218 R C 1.871 178.398 176.300 0.378 0.000 1.103 218 R CA 1.568 57.856 56.100 0.314 0.000 0.983 218 R CB 0.031 30.394 30.300 0.104 0.000 0.874 218 R HN 0.569 nan 8.270 nan 0.000 0.451 219 A N 0.383 123.374 122.820 0.285 0.000 2.345 219 A HA 0.038 4.351 4.320 -0.012 0.000 0.225 219 A C 1.569 179.272 177.584 0.200 0.000 1.243 219 A CA 0.129 52.286 52.037 0.199 0.000 0.875 219 A CB 0.111 19.152 19.000 0.068 0.000 0.929 219 A HN 0.281 nan 8.150 nan 0.000 0.502 220 S N -1.388 114.477 115.700 0.275 0.000 2.593 220 S HA 0.347 4.810 4.470 -0.012 0.000 0.217 220 S C 1.318 176.065 174.600 0.244 0.000 0.966 220 S CA 0.689 59.007 58.200 0.197 0.000 0.914 220 S CB -0.456 62.783 63.200 0.065 0.000 0.776 220 S HN 1.785 nan 8.310 nan 0.000 0.523 221 G N 1.209 110.182 108.800 0.288 0.000 2.272 221 G HA2 -0.228 3.724 3.960 -0.012 0.000 0.280 221 G HA3 -0.228 3.724 3.960 -0.012 0.000 0.280 221 G C 0.063 174.870 174.900 -0.154 0.000 1.067 221 G CA 0.294 45.460 45.100 0.111 0.000 0.902 221 G HN 0.514 nan 8.290 nan 0.000 0.500 222 T N 0.846 115.107 114.554 -0.490 0.000 3.783 222 T HA 0.442 4.785 4.350 -0.012 0.000 0.262 222 T C 1.071 175.553 174.700 -0.363 0.000 1.381 222 T CA 0.297 61.983 62.100 -0.690 0.000 1.155 222 T CB 0.218 68.298 68.868 -1.314 0.000 1.256 222 T HN 1.213 nan 8.240 nan 0.000 0.807 223 V N -1.330 118.518 119.914 -0.109 0.000 3.302 223 V HA 0.689 4.802 4.120 -0.012 0.000 0.316 223 V C -0.129 175.957 176.094 -0.013 0.000 1.111 223 V CA -1.178 61.136 62.300 0.022 0.000 1.029 223 V CB 1.189 33.023 31.823 0.018 0.000 1.170 223 V HN 0.129 nan 8.190 nan 0.000 0.452 224 D N 1.080 121.470 120.400 -0.017 0.000 2.283 224 D HA 0.647 5.279 4.640 -0.012 0.000 0.248 224 D C -0.137 176.041 176.300 -0.203 0.000 1.072 224 D CA 0.137 54.092 54.000 -0.075 0.000 0.929 224 D CB 1.341 42.101 40.800 -0.066 0.000 1.182 224 D HN 0.884 nan 8.370 nan 0.000 0.433 225 I N -1.875 118.519 120.570 -0.294 0.000 2.647 225 I HA 0.693 4.855 4.170 -0.012 0.000 0.295 225 I C -1.207 174.418 176.117 -0.819 0.000 1.078 225 I CA -1.045 59.925 61.300 -0.550 0.000 1.048 225 I CB 1.971 39.680 38.000 -0.485 0.000 1.239 225 I HN -0.035 nan 8.210 nan 0.000 0.421 226 V N 4.932 124.289 119.914 -0.929 0.000 2.604 226 V HA 0.542 4.655 4.120 -0.012 0.000 0.305 226 V C -0.977 174.681 176.094 -0.727 0.000 1.043 226 V CA -0.387 61.429 62.300 -0.808 0.000 0.888 226 V CB 1.723 33.264 31.823 -0.471 0.000 0.995 226 V HN 0.562 nan 8.190 nan 0.000 0.429 227 F N 1.963 121.894 119.950 -0.032 0.000 2.477 227 F HA 0.591 5.110 4.527 -0.013 0.000 0.335 227 F C -0.187 175.620 175.800 0.012 0.000 1.130 227 F CA -1.159 56.870 58.000 0.049 0.000 0.948 227 F CB 1.576 40.624 39.000 0.080 0.000 1.154 227 F HN 0.483 nan 8.300 nan 0.000 0.439 228 D N 3.141 123.640 120.400 0.164 0.000 2.408 228 D HA 0.220 4.852 4.640 -0.012 0.000 0.261 228 D C -0.684 175.676 176.300 0.100 0.000 1.190 228 D CA -0.291 53.762 54.000 0.087 0.000 0.910 228 D CB 0.192 41.007 40.800 0.025 0.000 1.097 228 D HN 0.476 nan 8.370 nan 0.000 0.522 229 D N 2.221 122.685 120.400 0.107 0.000 2.735 229 D HA -0.194 4.439 4.640 -0.012 0.000 0.235 229 D C -0.436 175.921 176.300 0.095 0.000 1.175 229 D CA 0.444 54.498 54.000 0.090 0.000 0.683 229 D CB -1.325 39.512 40.800 0.062 0.000 1.008 229 D HN 0.331 nan 8.370 nan 0.000 0.416 230 C N 2.138 121.511 119.300 0.120 0.000 2.566 230 C HA 0.284 4.737 4.460 -0.012 0.000 0.393 230 C C -1.375 173.659 174.990 0.072 0.000 1.309 230 C CA -1.273 57.809 59.018 0.108 0.000 1.801 230 C CB 0.527 28.346 27.740 0.133 0.000 2.493 230 C HN 0.291 nan 8.230 nan 0.000 0.575 231 P HA 0.256 nan 4.420 nan 0.000 0.276 231 P C -0.819 176.514 177.300 0.054 0.000 1.253 231 P CA 0.428 63.561 63.100 0.056 0.000 0.766 231 P CB 0.548 32.269 31.700 0.034 0.000 0.845 232 I N 5.602 126.227 120.570 0.092 0.000 2.436 232 I HA 0.326 4.489 4.170 -0.012 0.000 0.289 232 I C -2.190 174.008 176.117 0.135 0.000 1.010 232 I CA -3.160 58.198 61.300 0.096 0.000 1.098 232 I CB 1.712 39.766 38.000 0.090 0.000 1.266 232 I HN 0.109 nan 8.210 nan 0.000 0.434 233 P HA 0.147 nan 4.420 nan 0.000 0.272 233 P C 0.609 177.970 177.300 0.103 0.000 1.223 233 P CA -0.217 62.867 63.100 -0.027 0.000 0.784 233 P CB 1.215 32.766 31.700 -0.249 0.000 0.923 234 A N 2.770 125.675 122.820 0.142 0.000 1.978 234 A HA -0.197 4.116 4.320 -0.012 0.000 0.220 234 A C 1.359 179.060 177.584 0.194 0.000 1.170 234 A CA 2.029 54.227 52.037 0.268 0.000 0.636 234 A CB -1.239 17.860 19.000 0.165 0.000 0.810 234 A HN 0.650 nan 8.150 nan 0.000 0.448 235 D N -1.855 118.612 120.400 0.111 0.000 2.319 235 D HA -0.027 4.606 4.640 -0.012 0.000 0.230 235 D C 0.638 177.129 176.300 0.318 0.000 1.094 235 D CA 0.308 54.401 54.000 0.156 0.000 0.856 235 D CB -0.987 39.883 40.800 0.117 0.000 0.915 235 D HN 0.710 nan 8.370 nan 0.000 0.517 236 H N -0.650 118.453 119.070 0.056 0.000 2.512 236 H HA 0.344 4.893 4.556 -0.012 0.000 0.276 236 H C -0.611 174.705 175.328 -0.019 0.000 1.126 236 H CA -0.415 55.646 56.048 0.022 0.000 1.060 236 H CB 1.264 31.037 29.762 0.019 0.000 1.646 236 H HN -0.058 nan 8.280 nan 0.000 0.571 237 V N 2.535 122.504 119.914 0.092 0.000 2.443 237 V HA 0.177 4.290 4.120 -0.012 0.000 0.293 237 V C -0.312 175.763 176.094 -0.031 0.000 1.021 237 V CA -0.677 61.592 62.300 -0.051 0.000 0.848 237 V CB 2.038 33.748 31.823 -0.189 0.000 0.998 237 V HN 0.270 nan 8.190 nan 0.000 0.424 238 L N 5.613 126.806 121.223 -0.050 0.000 2.282 238 L HA 0.435 4.767 4.340 -0.012 0.000 0.287 238 L C 0.287 177.122 176.870 -0.059 0.000 1.075 238 L CA -0.120 54.703 54.840 -0.028 0.000 0.839 238 L CB 0.454 42.508 42.059 -0.010 0.000 1.219 238 L HN 0.451 nan 8.230 nan 0.000 0.434 239 M N 3.578 123.151 119.600 -0.046 0.000 2.246 239 M HA 0.171 4.643 4.480 -0.012 0.000 0.350 239 M C 0.531 176.817 176.300 -0.024 0.000 1.406 239 M CA 0.364 55.631 55.300 -0.055 0.000 1.089 239 M CB 0.641 33.233 32.600 -0.012 0.000 1.782 239 M HN 0.546 nan 8.290 nan 0.000 0.457 240 R N 2.515 122.996 120.500 -0.033 0.000 2.417 240 R HA 0.447 4.779 4.340 -0.012 0.000 0.189 240 R C -0.216 176.083 176.300 -0.001 0.000 1.249 240 R CA -0.357 55.737 56.100 -0.010 0.000 1.171 240 R CB -0.492 29.799 30.300 -0.014 0.000 2.071 240 R HN 0.643 nan 8.270 nan 0.000 0.537 241 D N 0.217 120.619 120.400 0.004 0.000 2.494 241 D HA 0.420 5.053 4.640 -0.012 0.000 0.259 241 D C -2.416 173.889 176.300 0.009 0.000 1.109 241 D CA -1.650 52.356 54.000 0.011 0.000 1.040 241 D CB -0.644 40.166 40.800 0.017 0.000 1.175 241 D HN -0.034 nan 8.370 nan 0.000 0.584 246 R N 1.296 121.810 120.500 0.024 0.000 2.537 246 R HA 0.097 4.430 4.340 -0.012 0.000 0.281 246 R C -0.300 176.018 176.300 0.031 0.000 0.988 246 R CA 0.422 56.540 56.100 0.030 0.000 1.077 246 R CB 0.264 30.581 30.300 0.029 0.000 0.932 246 R HN 0.603 nan 8.270 nan 0.000 0.409 247 N N 1.743 120.465 118.700 0.036 0.000 2.653 247 N HA 0.062 4.794 4.740 -0.012 0.000 0.261 247 N C -0.526 175.009 175.510 0.042 0.000 1.216 247 N CA -0.286 52.784 53.050 0.034 0.000 0.784 247 N CB 0.879 39.383 38.487 0.028 0.000 1.327 247 N HN 0.328 nan 8.380 nan 0.000 0.539 248 D N 1.495 121.925 120.400 0.050 0.000 2.221 248 D HA -0.085 4.548 4.640 -0.012 0.000 0.204 248 D C 1.625 177.957 176.300 0.054 0.000 0.982 248 D CA 1.090 55.129 54.000 0.066 0.000 0.857 248 D CB 0.126 40.971 40.800 0.074 0.000 0.934 248 D HN 0.677 nan 8.370 nan 0.000 0.475 249 A N 0.279 123.121 122.820 0.036 0.000 2.070 249 A HA -0.120 4.192 4.320 -0.012 0.000 0.220 249 A C 2.378 179.965 177.584 0.004 0.000 1.159 249 A CA 0.743 52.793 52.037 0.022 0.000 0.656 249 A CB -0.414 18.597 19.000 0.018 0.000 0.800 249 A HN 0.171 nan 8.150 nan 0.000 0.453 250 V N 0.106 120.025 119.914 0.010 0.000 2.809 250 V HA -0.175 3.938 4.120 -0.012 0.000 0.256 250 V C 2.338 178.426 176.094 -0.009 0.000 1.080 250 V CA 1.371 63.667 62.300 -0.007 0.000 1.102 250 V CB -0.574 31.253 31.823 0.007 0.000 0.705 250 V HN 0.614 nan 8.190 nan 0.000 0.475 251 L N 0.109 121.343 121.223 0.018 0.000 2.187 251 L HA -0.199 4.133 4.340 -0.012 0.000 0.213 251 L C 2.654 179.526 176.870 0.004 0.000 1.100 251 L CA 1.485 56.340 54.840 0.024 0.000 0.765 251 L CB -0.789 41.313 42.059 0.072 0.000 0.904 251 L HN 0.401 nan 8.230 nan 0.000 0.437 252 A N 0.342 123.151 122.820 -0.019 0.000 1.930 252 A HA -0.061 4.252 4.320 -0.012 0.000 0.217 252 A C 2.427 179.947 177.584 -0.107 0.000 1.175 252 A CA 1.527 53.533 52.037 -0.051 0.000 0.627 252 A CB -1.008 17.947 19.000 -0.075 0.000 0.815 252 A HN 0.418 nan 8.150 nan 0.000 0.443 253 G N -0.836 107.883 108.800 -0.135 0.000 2.408 253 G HA2 -0.182 3.771 3.960 -0.012 0.000 0.217 253 G HA3 -0.182 3.771 3.960 -0.012 0.000 0.217 253 G C 1.555 176.395 174.900 -0.100 0.000 1.150 253 G CA 0.898 45.901 45.100 -0.163 0.000 0.776 253 G HN 0.622 nan 8.290 nan 0.000 0.542 254 Q N -0.191 119.573 119.800 -0.059 0.000 2.224 254 Q HA -0.047 4.286 4.340 -0.012 0.000 0.203 254 Q C 2.703 178.692 176.000 -0.018 0.000 0.970 254 Q CA 1.482 57.267 55.803 -0.030 0.000 0.865 254 Q CB -0.100 28.623 28.738 -0.025 0.000 0.922 254 Q HN 0.408 nan 8.270 nan 0.000 0.445 255 T N 0.083 114.615 114.554 -0.036 0.000 2.732 255 T HA -0.080 4.262 4.350 -0.012 0.000 0.261 255 T C 2.016 176.568 174.700 -0.246 0.000 1.040 255 T CA 1.024 63.053 62.100 -0.118 0.000 1.145 255 T CB -0.191 68.662 68.868 -0.026 0.000 0.866 255 T HN 0.030 nan 8.240 nan 0.000 0.427 256 V N 1.857 121.675 119.914 -0.160 0.000 2.324 256 V HA -0.206 3.907 4.120 -0.012 0.000 0.250 256 V C 2.687 178.702 176.094 -0.131 0.000 1.060 256 V CA 1.916 64.129 62.300 -0.146 0.000 1.042 256 V CB -0.865 30.879 31.823 -0.132 0.000 0.650 256 V HN 0.441 nan 8.190 nan 0.000 0.450 257 S N -0.689 114.947 115.700 -0.106 0.000 2.419 257 S HA -0.153 4.310 4.470 -0.012 0.000 0.235 257 S C 1.963 176.576 174.600 0.022 0.000 1.019 257 S CA 1.742 59.905 58.200 -0.062 0.000 0.982 257 S CB -0.082 63.098 63.200 -0.032 0.000 0.789 257 S HN 0.629 nan 8.310 nan 0.000 0.490 258 S N -1.133 114.531 115.700 -0.060 0.000 2.653 258 S HA 0.196 4.659 4.470 -0.012 0.000 0.259 258 S C 1.400 175.796 174.600 -0.339 0.000 1.076 258 S CA -0.158 58.030 58.200 -0.020 0.000 1.051 258 S CB 0.394 63.661 63.200 0.112 0.000 0.994 258 S HN 0.263 nan 8.310 nan 0.000 0.552 259 V N 3.070 122.529 119.914 -0.759 0.000 2.594 259 V HA -0.114 3.999 4.120 -0.012 0.000 0.253 259 V C 2.328 178.212 176.094 -0.350 0.000 1.069 259 V CA 2.310 64.017 62.300 -0.987 0.000 1.082 259 V CB -0.383 30.845 31.823 -0.991 0.000 0.680 259 V HN 0.679 nan 8.190 nan 0.000 0.469 260 S N -1.286 114.317 115.700 -0.163 0.000 2.481 260 S HA -0.095 4.367 4.470 -0.012 0.000 0.231 260 S C 1.920 176.461 174.600 -0.099 0.000 0.996 260 S CA 1.324 59.484 58.200 -0.067 0.000 0.942 260 S CB -0.063 63.145 63.200 0.013 0.000 0.768 260 S HN 0.405 nan 8.310 nan 0.000 0.520 261 V N 1.651 121.393 119.914 -0.287 0.000 3.026 261 V HA -0.012 4.100 4.120 -0.012 0.000 0.265 261 V C 2.046 178.062 176.094 -0.130 0.000 1.121 261 V CA 1.237 63.284 62.300 -0.422 0.000 1.142 261 V CB -0.741 30.685 31.823 -0.662 0.000 0.730 261 V HN 0.613 nan 8.190 nan 0.000 0.503 262 L N -0.046 121.169 121.223 -0.014 0.000 2.131 262 L HA -0.080 4.252 4.340 -0.012 0.000 0.210 262 L C 2.603 179.473 176.870 0.001 0.000 1.092 262 L CA 1.541 56.439 54.840 0.096 0.000 0.759 262 L CB -1.167 40.938 42.059 0.076 0.000 0.903 262 L HN 0.485 nan 8.230 nan 0.000 0.435 263 G N -0.310 108.436 108.800 -0.091 0.000 2.462 263 G HA2 -0.200 3.753 3.960 -0.012 0.000 0.220 263 G HA3 -0.200 3.753 3.960 -0.012 0.000 0.220 263 G C 1.586 176.394 174.900 -0.152 0.000 1.121 263 G CA 0.874 45.898 45.100 -0.126 0.000 0.758 263 G HN 0.218 nan 8.290 nan 0.000 0.559 264 V N -0.169 119.593 119.914 -0.253 0.000 2.295 264 V HA -0.201 3.912 4.120 -0.012 0.000 0.246 264 V C 2.392 178.240 176.094 -0.411 0.000 1.049 264 V CA 1.651 63.704 62.300 -0.413 0.000 1.024 264 V CB -0.683 30.743 31.823 -0.662 0.000 0.648 264 V HN 0.458 nan 8.190 nan 0.000 0.447 265 Y N -0.460 119.822 120.300 -0.030 0.000 2.337 265 Y HA -0.034 4.510 4.550 -0.009 0.000 0.293 265 Y C 2.384 178.272 175.900 -0.020 0.000 1.123 265 Y CA 0.758 58.848 58.100 -0.016 0.000 1.201 265 Y CB -0.859 37.590 38.460 -0.019 0.000 1.011 265 Y HN 0.018 nan 8.280 nan 0.000 0.545 266 V N -0.324 119.626 119.914 0.061 0.000 2.343 266 V HA -0.245 3.867 4.120 -0.012 0.000 0.247 266 V C 2.519 178.610 176.094 -0.005 0.000 1.051 266 V CA 1.995 64.300 62.300 0.008 0.000 1.036 266 V CB -1.385 30.406 31.823 -0.053 0.000 0.654 266 V HN 0.538 nan 8.190 nan 0.000 0.451 267 G N -0.219 108.560 108.800 -0.034 0.000 2.408 267 G HA2 -0.179 3.774 3.960 -0.012 0.000 0.217 267 G HA3 -0.179 3.774 3.960 -0.012 0.000 0.217 267 G C 1.663 176.570 174.900 0.012 0.000 1.150 267 G CA 1.109 46.196 45.100 -0.020 0.000 0.776 267 G HN 0.371 nan 8.290 nan 0.000 0.542 268 V N 1.670 121.592 119.914 0.013 0.000 2.287 268 V HA -0.199 3.913 4.120 -0.012 0.000 0.248 268 V C 3.346 179.488 176.094 0.080 0.000 1.053 268 V CA 2.167 64.500 62.300 0.054 0.000 1.027 268 V CB -0.956 30.918 31.823 0.085 0.000 0.646 268 V HN 0.473 nan 8.190 nan 0.000 0.447 269 A N -0.600 122.269 122.820 0.082 0.000 1.933 269 A HA -0.309 4.004 4.320 -0.012 0.000 0.218 269 A C 2.178 179.827 177.584 0.108 0.000 1.175 269 A CA 2.193 54.279 52.037 0.083 0.000 0.628 269 A CB -0.563 18.470 19.000 0.055 0.000 0.814 269 A HN 0.561 nan 8.150 nan 0.000 0.444 270 Q N -0.137 119.722 119.800 0.099 0.000 2.084 270 Q HA -0.048 4.285 4.340 -0.012 0.000 0.202 270 Q C 1.987 178.079 176.000 0.153 0.000 0.978 270 Q CA 2.198 58.088 55.803 0.146 0.000 0.844 270 Q CB -0.537 28.264 28.738 0.104 0.000 0.898 270 Q HN 0.564 nan 8.270 nan 0.000 0.426 271 A N -0.093 122.789 122.820 0.103 0.000 1.929 271 A HA 0.122 4.435 4.320 -0.012 0.000 0.216 271 A C 2.245 179.890 177.584 0.102 0.000 1.176 271 A CA 1.360 53.446 52.037 0.081 0.000 0.628 271 A CB -0.965 18.068 19.000 0.055 0.000 0.816 271 A HN 0.493 nan 8.150 nan 0.000 0.444 272 A N -1.087 121.809 122.820 0.126 0.000 1.877 272 A HA -0.138 4.175 4.320 -0.012 0.000 0.216 272 A C 2.154 179.854 177.584 0.192 0.000 1.186 272 A CA 1.756 53.880 52.037 0.145 0.000 0.620 272 A CB -0.861 18.220 19.000 0.135 0.000 0.822 272 A HN 0.666 nan 8.150 nan 0.000 0.443 273 Y N 1.357 121.691 120.300 0.057 0.000 2.145 273 Y HA -0.193 4.353 4.550 -0.006 0.000 0.286 273 Y C 1.860 177.792 175.900 0.053 0.000 1.145 273 Y CA 1.747 59.880 58.100 0.056 0.000 1.148 273 Y CB -0.543 37.952 38.460 0.059 0.000 0.981 273 Y HN 0.371 nan 8.280 nan 0.000 0.507 274 D N -0.877 119.530 120.400 0.012 0.000 2.123 274 D HA -0.161 4.472 4.640 -0.012 0.000 0.196 274 D C 2.144 178.407 176.300 -0.061 0.000 0.992 274 D CA 2.043 55.986 54.000 -0.096 0.000 0.833 274 D CB -0.508 40.285 40.800 -0.012 0.000 0.954 274 D HN 0.364 nan 8.370 nan 0.000 0.455 275 T N 0.592 115.153 114.554 0.012 0.000 2.708 275 T HA -0.133 4.210 4.350 -0.012 0.000 0.266 275 T C 2.013 176.741 174.700 0.047 0.000 1.037 275 T CA 1.619 63.743 62.100 0.039 0.000 1.146 275 T CB -0.326 68.595 68.868 0.089 0.000 0.865 275 T HN 0.207 nan 8.240 nan 0.000 0.435 276 A N 0.973 123.826 122.820 0.055 0.000 1.877 276 A HA -0.043 4.270 4.320 -0.012 0.000 0.216 276 A C 2.607 180.187 177.584 -0.006 0.000 1.186 276 A CA 1.419 53.489 52.037 0.054 0.000 0.620 276 A CB -1.028 18.036 19.000 0.106 0.000 0.822 276 A HN 0.350 nan 8.150 nan 0.000 0.443 277 V N -0.067 119.784 119.914 -0.105 0.000 2.295 277 V HA -0.243 3.870 4.120 -0.012 0.000 0.246 277 V C 3.068 179.114 176.094 -0.079 0.000 1.049 277 V CA 1.930 64.142 62.300 -0.146 0.000 1.024 277 V CB -1.337 30.280 31.823 -0.344 0.000 0.648 277 V HN 0.617 nan 8.190 nan 0.000 0.447 278 A N 0.174 122.954 122.820 -0.067 0.000 1.883 278 A HA -0.180 4.132 4.320 -0.012 0.000 0.217 278 A C 2.453 180.032 177.584 -0.008 0.000 1.186 278 A CA 2.308 54.324 52.037 -0.034 0.000 0.624 278 A CB -0.905 18.079 19.000 -0.026 0.000 0.822 278 A HN 0.595 nan 8.150 nan 0.000 0.444 279 A N -0.484 122.343 122.820 0.012 0.000 1.908 279 A HA -0.089 4.223 4.320 -0.012 0.000 0.218 279 A C 2.191 179.786 177.584 0.017 0.000 1.181 279 A CA 1.635 53.691 52.037 0.031 0.000 0.627 279 A CB -0.583 18.454 19.000 0.061 0.000 0.818 279 A HN 0.488 nan 8.150 nan 0.000 0.445 280 L N -0.717 120.511 121.223 0.008 0.000 2.109 280 L HA -0.146 4.186 4.340 -0.012 0.000 0.207 280 L C 2.428 179.299 176.870 0.001 0.000 1.086 280 L CA 1.313 56.157 54.840 0.007 0.000 0.760 280 L CB -0.472 41.591 42.059 0.007 0.000 0.910 280 L HN 0.470 nan 8.230 nan 0.000 0.437 281 E N -0.243 119.952 120.200 -0.008 0.000 2.338 281 E HA -0.172 4.170 4.350 -0.012 0.000 0.197 281 E C 1.952 178.550 176.600 -0.003 0.000 1.007 281 E CA 0.419 56.815 56.400 -0.008 0.000 0.849 281 E CB -0.003 29.687 29.700 -0.018 0.000 0.774 281 E HN 0.389 nan 8.360 nan 0.000 0.506 282 R N 0.718 121.219 120.500 0.001 0.000 2.297 282 R HA 0.091 4.423 4.340 -0.012 0.000 0.197 282 R C 0.396 176.700 176.300 0.007 0.000 0.943 282 R CA 0.051 56.154 56.100 0.004 0.000 1.038 282 R CB 0.318 30.623 30.300 0.009 0.000 0.957 282 R HN -0.038 nan 8.270 nan 0.000 0.484 283 R N 0.502 121.006 120.500 0.007 0.000 2.404 283 R HA 0.141 4.473 4.340 -0.012 0.000 0.291 283 R C -1.460 174.843 176.300 0.006 0.000 1.025 283 R CA -1.635 54.469 56.100 0.008 0.000 0.991 283 R CB 0.691 30.997 30.300 0.009 0.000 1.053 283 R HN -0.014 nan 8.270 nan 0.000 0.479 284 P HA -0.128 nan 4.420 nan 0.000 0.216 284 P C -0.331 176.972 177.300 0.004 0.000 1.153 284 P CA 1.240 64.342 63.100 0.004 0.000 0.848 284 P CB 0.289 31.991 31.700 0.004 0.000 0.787 285 E N 1.018 121.221 120.200 0.005 0.000 2.383 285 E HA 0.213 4.556 4.350 -0.012 0.000 0.264 285 E C -2.128 174.476 176.600 0.005 0.000 1.050 285 E CA -1.748 54.655 56.400 0.005 0.000 0.896 285 E CB -0.558 29.145 29.700 0.005 0.000 0.982 285 E HN 0.221 nan 8.360 nan 0.000 0.424 286 P HA 0.185 nan 4.420 nan 0.000 0.275 286 P C -2.488 174.817 177.300 0.008 0.000 1.228 286 P CA -1.222 61.882 63.100 0.006 0.000 0.786 286 P CB -0.154 31.550 31.700 0.006 0.000 0.927 287 P HA 0.138 nan 4.420 nan 0.000 0.268 287 P C -0.247 177.060 177.300 0.011 0.000 1.205 287 P CA -0.046 63.062 63.100 0.012 0.000 0.771 287 P CB 0.387 32.097 31.700 0.016 0.000 0.858 288 Q N 0.833 120.639 119.800 0.011 0.000 2.492 288 Q HA 0.246 4.579 4.340 -0.012 0.000 0.238 288 Q C 1.601 177.608 176.000 0.011 0.000 1.045 288 Q CA -0.028 55.780 55.803 0.009 0.000 0.934 288 Q CB 0.255 28.998 28.738 0.007 0.000 1.276 288 Q HN 0.512 nan 8.270 nan 0.000 0.521 289 A N 1.232 124.057 122.820 0.009 0.000 1.892 289 A HA -0.259 4.054 4.320 -0.012 0.000 0.218 289 A C 2.053 179.644 177.584 0.011 0.000 1.188 289 A CA 2.167 54.209 52.037 0.009 0.000 0.631 289 A CB -1.161 17.843 19.000 0.007 0.000 0.822 289 A HN 0.835 nan 8.150 nan 0.000 0.447 290 A N -0.671 122.155 122.820 0.010 0.000 2.015 290 A HA 0.256 4.568 4.320 -0.012 0.000 0.219 290 A C 2.379 179.974 177.584 0.018 0.000 1.163 290 A CA 1.797 53.841 52.037 0.011 0.000 0.646 290 A CB -0.719 18.285 19.000 0.008 0.000 0.806 290 A HN 1.018 nan 8.150 nan 0.000 0.448 291 A N -0.321 122.511 122.820 0.020 0.000 1.930 291 A HA 0.121 4.434 4.320 -0.012 0.000 0.215 291 A C 2.074 179.680 177.584 0.036 0.000 1.176 291 A CA 1.101 53.155 52.037 0.028 0.000 0.632 291 A CB -0.439 18.576 19.000 0.025 0.000 0.819 291 A HN 0.442 nan 8.150 nan 0.000 0.445 292 L N -0.709 120.532 121.223 0.029 0.000 2.093 292 L HA -0.133 4.199 4.340 -0.012 0.000 0.208 292 L C 2.707 179.598 176.870 0.035 0.000 1.085 292 L CA 1.665 56.525 54.840 0.033 0.000 0.755 292 L CB -0.754 41.319 42.059 0.024 0.000 0.904 292 L HN 0.326 nan 8.230 nan 0.000 0.435 293 T N 0.120 114.691 114.554 0.027 0.000 2.770 293 T HA -0.103 4.240 4.350 -0.012 0.000 0.263 293 T C 2.015 176.731 174.700 0.028 0.000 1.039 293 T CA 0.912 63.025 62.100 0.023 0.000 1.142 293 T CB -0.189 68.688 68.868 0.015 0.000 0.868 293 T HN 0.152 nan 8.240 nan 0.000 0.435 294 L N 0.868 122.110 121.223 0.032 0.000 2.013 294 L HA -0.160 4.173 4.340 -0.012 0.000 0.212 294 L C 2.654 179.561 176.870 0.061 0.000 1.073 294 L CA 1.206 56.070 54.840 0.039 0.000 0.753 294 L CB -0.726 41.359 42.059 0.043 0.000 0.890 294 L HN 0.158 nan 8.230 nan 0.000 0.432 295 V N -0.153 119.814 119.914 0.088 0.000 2.332 295 V HA -0.326 3.787 4.120 -0.012 0.000 0.248 295 V C 2.674 178.835 176.094 0.112 0.000 1.055 295 V CA 1.935 64.325 62.300 0.150 0.000 1.038 295 V CB -0.810 31.098 31.823 0.142 0.000 0.651 295 V HN 0.524 nan 8.190 nan 0.000 0.450 296 A N -0.855 122.004 122.820 0.066 0.000 1.930 296 A HA -0.156 4.157 4.320 -0.012 0.000 0.217 296 A C 2.215 179.806 177.584 0.013 0.000 1.175 296 A CA 1.398 53.460 52.037 0.042 0.000 0.627 296 A CB -0.344 18.673 19.000 0.027 0.000 0.815 296 A HN 0.534 nan 8.150 nan 0.000 0.443 297 E N 0.027 120.231 120.200 0.008 0.000 2.047 297 E HA -0.141 4.201 4.350 -0.012 0.000 0.191 297 E C 2.014 178.591 176.600 -0.038 0.000 0.987 297 E CA 1.154 57.550 56.400 -0.008 0.000 0.799 297 E CB -0.387 29.312 29.700 -0.002 0.000 0.752 297 E HN 0.715 nan 8.360 nan 0.000 0.449 298 I N 1.382 121.917 120.570 -0.059 0.000 2.163 298 I HA -0.287 3.875 4.170 -0.012 0.000 0.243 298 I C 2.323 178.254 176.117 -0.309 0.000 1.085 298 I CA 1.450 62.649 61.300 -0.168 0.000 1.347 298 I CB -0.290 37.605 38.000 -0.175 0.000 1.044 298 I HN 0.030 nan 8.210 nan 0.000 0.408 299 D N 0.083 120.324 120.400 -0.265 0.000 2.123 299 D HA -0.227 4.406 4.640 -0.012 0.000 0.196 299 D C 2.299 178.568 176.300 -0.052 0.000 0.992 299 D CA 1.698 55.578 54.000 -0.200 0.000 0.833 299 D CB 0.039 40.860 40.800 0.034 0.000 0.954 299 D HN 0.171 nan 8.370 nan 0.000 0.455 300 S N -0.986 114.699 115.700 -0.026 0.000 2.395 300 S HA -0.047 4.416 4.470 -0.012 0.000 0.225 300 S C 2.001 176.634 174.600 0.055 0.000 1.027 300 S CA 0.608 58.821 58.200 0.021 0.000 0.965 300 S CB -0.114 63.083 63.200 -0.006 0.000 0.812 300 S HN 0.170 nan 8.310 nan 0.000 0.482 301 R N 0.155 120.655 120.500 -0.001 0.000 2.081 301 R HA -0.048 4.285 4.340 -0.012 0.000 0.235 301 R C 2.297 178.597 176.300 -0.001 0.000 1.131 301 R CA 1.563 57.663 56.100 -0.000 0.000 0.960 301 R CB -0.616 29.668 30.300 -0.028 0.000 0.856 301 R HN 0.386 nan 8.270 nan 0.000 0.436 302 L N -0.034 121.159 121.223 -0.051 0.000 2.046 302 L HA -0.211 4.121 4.340 -0.012 0.000 0.208 302 L C 2.017 178.905 176.870 0.029 0.000 1.077 302 L CA 1.696 56.508 54.840 -0.046 0.000 0.747 302 L CB -0.690 41.282 42.059 -0.144 0.000 0.896 302 L HN 0.122 nan 8.230 nan 0.000 0.432 303 Y N 0.028 120.324 120.300 -0.008 0.000 2.128 303 Y HA -0.309 4.232 4.550 -0.016 0.000 0.284 303 Y C 2.420 178.335 175.900 0.025 0.000 1.154 303 Y CA 2.264 60.394 58.100 0.050 0.000 1.149 303 Y CB -0.433 38.066 38.460 0.066 0.000 0.976 303 Y HN 0.284 nan 8.280 nan 0.000 0.505 304 A N -0.377 122.566 122.820 0.205 0.000 1.930 304 A HA -0.167 4.146 4.320 -0.012 0.000 0.217 304 A C 2.131 179.724 177.584 0.014 0.000 1.175 304 A CA 1.574 53.683 52.037 0.121 0.000 0.627 304 A CB -1.122 17.942 19.000 0.106 0.000 0.815 304 A HN 0.570 nan 8.150 nan 0.000 0.443 305 L N -0.061 121.157 121.223 -0.008 0.000 1.994 305 L HA -0.141 4.191 4.340 -0.012 0.000 0.208 305 L C 2.424 179.244 176.870 -0.082 0.000 1.071 305 L CA 2.084 56.905 54.840 -0.031 0.000 0.745 305 L CB -0.584 41.461 42.059 -0.023 0.000 0.892 305 L HN 0.336 nan 8.230 nan 0.000 0.431 306 R N -0.445 119.962 120.500 -0.154 0.000 2.105 306 R HA -0.136 4.197 4.340 -0.012 0.000 0.239 306 R C 2.217 178.358 176.300 -0.265 0.000 1.135 306 R CA 1.358 57.297 56.100 -0.268 0.000 0.967 306 R CB -0.669 29.369 30.300 -0.436 0.000 0.861 306 R HN 0.579 nan 8.270 nan 0.000 0.442 307 A N 0.039 122.708 122.820 -0.251 0.000 1.968 307 A HA -0.087 4.226 4.320 -0.012 0.000 0.217 307 A C 2.090 179.641 177.584 -0.054 0.000 1.169 307 A CA 1.538 53.472 52.037 -0.171 0.000 0.638 307 A CB -0.413 18.521 19.000 -0.111 0.000 0.812 307 A HN 0.234 nan 8.150 nan 0.000 0.446 308 T N 0.081 114.617 114.554 -0.031 0.000 2.770 308 T HA 0.090 4.433 4.350 -0.012 0.000 0.263 308 T C 2.305 177.020 174.700 0.024 0.000 1.039 308 T CA 1.347 63.458 62.100 0.019 0.000 1.142 308 T CB -0.411 68.474 68.868 0.027 0.000 0.868 308 T HN 0.544 nan 8.240 nan 0.000 0.435 309 A N 1.558 124.372 122.820 -0.010 0.000 1.877 309 A HA 0.086 4.398 4.320 -0.012 0.000 0.216 309 A C 2.617 180.183 177.584 -0.030 0.000 1.186 309 A CA 1.980 54.008 52.037 -0.015 0.000 0.620 309 A CB -1.470 17.498 19.000 -0.054 0.000 0.822 309 A HN 0.500 nan 8.150 nan 0.000 0.443 310 G N -0.732 108.030 108.800 -0.064 0.000 2.446 310 G HA2 -0.181 3.771 3.960 -0.012 0.000 0.217 310 G HA3 -0.181 3.771 3.960 -0.012 0.000 0.217 310 G C 1.832 176.819 174.900 0.146 0.000 1.168 310 G CA 1.428 46.539 45.100 0.018 0.000 0.771 310 G HN 0.507 nan 8.290 nan 0.000 0.551 311 S N 0.999 116.749 115.700 0.084 0.000 2.383 311 S HA 0.083 4.546 4.470 -0.012 0.000 0.227 311 S C 2.724 177.368 174.600 0.073 0.000 1.026 311 S CA 1.033 59.283 58.200 0.083 0.000 0.981 311 S CB -0.273 62.976 63.200 0.081 0.000 0.818 311 S HN 0.580 nan 8.310 nan 0.000 0.472 312 A N 1.245 124.121 122.820 0.094 0.000 1.969 312 A HA 0.098 4.411 4.320 -0.012 0.000 0.218 312 A C 2.050 179.648 177.584 0.023 0.000 1.169 312 A CA 0.870 52.968 52.037 0.102 0.000 0.635 312 A CB -0.564 18.536 19.000 0.166 0.000 0.810 312 A HN 0.438 nan 8.150 nan 0.000 0.445 313 L N -0.971 120.282 121.223 0.050 0.000 2.109 313 L HA -0.121 4.212 4.340 -0.012 0.000 0.207 313 L C 2.756 179.683 176.870 0.095 0.000 1.086 313 L CA 1.624 56.500 54.840 0.060 0.000 0.760 313 L CB -0.721 41.372 42.059 0.057 0.000 0.910 313 L HN 0.304 nan 8.230 nan 0.000 0.437 314 T N -0.125 114.502 114.554 0.122 0.000 2.708 314 T HA -0.171 4.172 4.350 -0.012 0.000 0.266 314 T C 2.022 176.676 174.700 -0.076 0.000 1.037 314 T CA 1.368 63.467 62.100 -0.002 0.000 1.146 314 T CB -0.237 68.602 68.868 -0.047 0.000 0.865 314 T HN 0.433 nan 8.240 nan 0.000 0.435 315 A N 1.446 124.181 122.820 -0.142 0.000 1.902 315 A HA 0.123 4.436 4.320 -0.012 0.000 0.217 315 A C 2.635 180.055 177.584 -0.273 0.000 1.181 315 A CA 1.897 53.749 52.037 -0.308 0.000 0.623 315 A CB -1.107 17.448 19.000 -0.741 0.000 0.818 315 A HN 0.508 nan 8.150 nan 0.000 0.443 316 A N -0.227 122.473 122.820 -0.199 0.000 1.933 316 A HA -0.182 4.131 4.320 -0.012 0.000 0.218 316 A C 1.818 179.361 177.584 -0.069 0.000 1.175 316 A CA 1.878 53.848 52.037 -0.112 0.000 0.628 316 A CB -0.559 18.393 19.000 -0.081 0.000 0.814 316 A HN 0.456 nan 8.150 nan 0.000 0.444 317 D N 0.034 120.404 120.400 -0.050 0.000 2.117 317 D HA -0.063 4.570 4.640 -0.012 0.000 0.197 317 D C 2.297 178.580 176.300 -0.029 0.000 0.987 317 D CA 1.513 55.497 54.000 -0.026 0.000 0.829 317 D CB -0.407 40.387 40.800 -0.010 0.000 0.961 317 D HN 0.399 nan 8.370 nan 0.000 0.460 318 A N 0.685 123.477 122.820 -0.047 0.000 1.865 318 A HA -0.150 4.163 4.320 -0.012 0.000 0.217 318 A C 2.434 180.004 177.584 -0.024 0.000 1.191 318 A CA 1.119 53.134 52.037 -0.037 0.000 0.623 318 A CB -0.887 18.084 19.000 -0.048 0.000 0.826 318 A HN 0.228 nan 8.150 nan 0.000 0.444 319 L N -0.839 120.364 121.223 -0.033 0.000 2.141 319 L HA -0.129 4.203 4.340 -0.012 0.000 0.209 319 L C 2.867 179.737 176.870 -0.001 0.000 1.094 319 L CA 1.306 56.142 54.840 -0.008 0.000 0.763 319 L CB -0.393 41.667 42.059 0.002 0.000 0.908 319 L HN 0.466 nan 8.230 nan 0.000 0.437 320 S N -0.166 115.528 115.700 -0.009 0.000 2.356 320 S HA -0.179 4.284 4.470 -0.012 0.000 0.223 320 S C 2.084 176.702 174.600 0.030 0.000 1.032 320 S CA 1.310 59.511 58.200 0.001 0.000 1.005 320 S CB -0.114 63.083 63.200 -0.005 0.000 0.867 320 S HN 0.454 nan 8.310 nan 0.000 0.449 321 A N 0.209 123.044 122.820 0.025 0.000 2.121 321 A HA 0.051 4.363 4.320 -0.012 0.000 0.218 321 A C 0.863 178.466 177.584 0.031 0.000 1.154 321 A CA 0.896 52.955 52.037 0.037 0.000 0.679 321 A CB -0.296 18.719 19.000 0.025 0.000 0.795 321 A HN 0.540 nan 8.150 nan 0.000 0.458 322 D N -0.190 120.223 120.400 0.021 0.000 2.412 322 D HA 0.427 5.060 4.640 -0.012 0.000 0.224 322 D C 0.172 176.481 176.300 0.016 0.000 1.093 322 D CA -0.278 53.732 54.000 0.017 0.000 0.850 322 D CB 0.482 41.290 40.800 0.013 0.000 1.046 322 D HN 0.163 nan 8.370 nan 0.000 0.507 323 L N 2.783 124.012 121.223 0.011 0.000 2.818 323 L HA 0.125 4.458 4.340 -0.012 0.000 0.243 323 L C 1.328 178.199 176.870 0.001 0.000 1.185 323 L CA -0.080 54.759 54.840 -0.001 0.000 0.988 323 L CB 0.147 42.187 42.059 -0.032 0.000 1.292 323 L HN 0.349 nan 8.230 nan 0.000 0.519 324 S N -1.361 114.344 115.700 0.008 0.000 2.618 324 S HA 0.439 4.902 4.470 -0.012 0.000 0.242 324 S C 0.541 175.147 174.600 0.009 0.000 0.972 324 S CA -0.042 58.163 58.200 0.008 0.000 1.004 324 S CB 0.356 63.562 63.200 0.009 0.000 0.778 324 S HN 0.310 nan 8.310 nan 0.000 0.459 325 G N 0.351 109.157 108.800 0.011 0.000 2.976 325 G HA2 0.386 4.339 3.960 -0.012 0.000 0.276 325 G HA3 0.386 4.339 3.960 -0.012 0.000 0.276 325 G C -1.805 173.104 174.900 0.015 0.000 1.207 325 G CA -0.599 44.510 45.100 0.013 0.000 0.803 325 G HN 0.186 nan 8.290 nan 0.000 0.572 326 D N 1.087 121.497 120.400 0.017 0.000 2.342 326 D HA 0.095 4.728 4.640 -0.012 0.000 0.260 326 D C 1.718 178.031 176.300 0.022 0.000 1.278 326 D CA -0.312 53.700 54.000 0.019 0.000 0.910 326 D CB 0.736 41.548 40.800 0.020 0.000 1.079 326 D HN 0.139 nan 8.370 nan 0.000 0.496 327 M N 2.551 122.163 119.600 0.021 0.000 2.213 327 M HA -0.126 4.347 4.480 -0.012 0.000 0.263 327 M C 1.085 177.401 176.300 0.027 0.000 1.062 327 M CA 0.979 56.292 55.300 0.021 0.000 1.105 327 M CB -0.394 32.217 32.600 0.019 0.000 1.385 327 M HN 0.412 nan 8.290 nan 0.000 0.417 328 D N 0.243 120.661 120.400 0.029 0.000 2.097 328 D HA -0.158 4.474 4.640 -0.012 0.000 0.197 328 D C 1.930 178.258 176.300 0.046 0.000 0.984 328 D CA 1.139 55.161 54.000 0.037 0.000 0.826 328 D CB -0.200 40.620 40.800 0.034 0.000 0.973 328 D HN 0.238 nan 8.370 nan 0.000 0.460 329 E N 1.234 121.458 120.200 0.040 0.000 2.118 329 E HA -0.189 4.154 4.350 -0.012 0.000 0.195 329 E C 2.013 178.648 176.600 0.058 0.000 0.992 329 E CA 0.885 57.312 56.400 0.045 0.000 0.804 329 E CB -0.173 29.548 29.700 0.035 0.000 0.741 329 E HN 0.208 nan 8.360 nan 0.000 0.458 330 R N -0.758 119.772 120.500 0.049 0.000 2.091 330 R HA -0.103 4.230 4.340 -0.012 0.000 0.238 330 R C 2.296 178.634 176.300 0.065 0.000 1.136 330 R CA 1.808 57.939 56.100 0.051 0.000 0.959 330 R CB -0.708 29.611 30.300 0.032 0.000 0.856 330 R HN 0.262 nan 8.270 nan 0.000 0.437 331 G N 0.206 109.041 108.800 0.060 0.000 2.394 331 G HA2 -0.203 3.750 3.960 -0.012 0.000 0.215 331 G HA3 -0.203 3.750 3.960 -0.012 0.000 0.215 331 G C 1.404 176.377 174.900 0.121 0.000 1.165 331 G CA 0.366 45.508 45.100 0.070 0.000 0.784 331 G HN 0.287 nan 8.290 nan 0.000 0.535 332 R N -0.124 120.454 120.500 0.131 0.000 2.081 332 R HA -0.032 4.300 4.340 -0.012 0.000 0.235 332 R C 2.776 179.189 176.300 0.189 0.000 1.131 332 R CA 1.368 57.577 56.100 0.182 0.000 0.960 332 R CB -0.258 30.115 30.300 0.122 0.000 0.856 332 R HN 0.427 nan 8.270 nan 0.000 0.436 333 Q N -0.061 119.829 119.800 0.150 0.000 2.083 333 Q HA -0.077 4.256 4.340 -0.012 0.000 0.198 333 Q C 2.179 178.343 176.000 0.274 0.000 0.969 333 Q CA 1.297 57.208 55.803 0.179 0.000 0.838 333 Q CB 0.042 28.879 28.738 0.165 0.000 0.900 333 Q HN 0.354 nan 8.270 nan 0.000 0.436 334 M N -0.393 119.335 119.600 0.214 0.000 2.117 334 M HA -0.191 4.282 4.480 -0.012 0.000 0.262 334 M C 2.262 178.715 176.300 0.256 0.000 1.065 334 M CA 1.237 56.659 55.300 0.203 0.000 1.114 334 M CB -0.207 32.451 32.600 0.097 0.000 1.361 334 M HN 0.241 nan 8.290 nan 0.000 0.408 335 M N 0.085 119.829 119.600 0.239 0.000 2.175 335 M HA -0.126 4.346 4.480 -0.012 0.000 0.264 335 M C 1.999 178.490 176.300 0.318 0.000 1.063 335 M CA 1.756 57.196 55.300 0.233 0.000 1.119 335 M CB -0.299 32.366 32.600 0.107 0.000 1.377 335 M HN -0.011 nan 8.290 nan 0.000 0.415 336 R N -0.825 119.902 120.500 0.379 0.000 2.066 336 R HA -0.134 4.198 4.340 -0.012 0.000 0.232 336 R C 2.260 178.665 176.300 0.174 0.000 1.131 336 R CA 2.014 58.295 56.100 0.301 0.000 0.955 336 R CB -0.841 29.529 30.300 0.116 0.000 0.851 336 R HN 0.535 nan 8.270 nan 0.000 0.432 337 H N -0.677 118.501 119.070 0.179 0.000 2.319 337 H HA -0.187 4.362 4.556 -0.012 0.000 0.297 337 H C 1.864 177.321 175.328 0.215 0.000 1.097 337 H CA 1.891 58.033 56.048 0.157 0.000 1.285 337 H CB -0.485 29.352 29.762 0.124 0.000 1.368 337 H HN 0.208 nan 8.280 nan 0.000 0.495 338 F N 2.500 122.553 119.950 0.170 0.000 2.046 338 F HA -0.225 4.295 4.527 -0.012 0.000 0.297 338 F C 2.332 178.165 175.800 0.055 0.000 1.123 338 F CA 1.504 59.545 58.000 0.069 0.000 1.199 338 F CB -0.539 38.461 39.000 -0.001 0.000 0.972 338 F HN 0.078 nan 8.300 nan 0.000 0.474 339 Q N -0.382 119.423 119.800 0.008 0.000 2.119 339 Q HA -0.162 4.170 4.340 -0.012 0.000 0.201 339 Q C 2.625 178.645 176.000 0.033 0.000 0.972 339 Q CA 1.558 57.297 55.803 -0.106 0.000 0.847 339 Q CB -1.405 27.337 28.738 0.007 0.000 0.903 339 Q HN 0.478 nan 8.270 nan 0.000 0.433 340 C N 0.762 120.120 119.300 0.096 0.000 2.413 340 C HA -0.126 4.327 4.460 -0.012 0.000 0.276 340 C C 2.914 177.947 174.990 0.073 0.000 1.236 340 C CA 0.993 60.054 59.018 0.073 0.000 1.735 340 C CB -1.157 26.617 27.740 0.057 0.000 2.031 340 C HN 0.622 nan 8.230 nan 0.000 0.474 341 A N -0.051 122.835 122.820 0.110 0.000 1.898 341 A HA -0.202 4.110 4.320 -0.012 0.000 0.216 341 A C 2.201 179.835 177.584 0.083 0.000 1.181 341 A CA 1.922 54.025 52.037 0.110 0.000 0.620 341 A CB -0.582 18.512 19.000 0.155 0.000 0.819 341 A HN 0.692 nan 8.150 nan 0.000 0.442 342 K N -0.444 119.999 120.400 0.072 0.000 2.032 342 K HA -0.111 4.202 4.320 -0.012 0.000 0.209 342 K C 1.967 178.551 176.600 -0.026 0.000 1.048 342 K CA 1.542 57.832 56.287 0.005 0.000 0.927 342 K CB -0.308 32.099 32.500 -0.156 0.000 0.712 342 K HN 0.450 nan 8.250 nan 0.000 0.441 343 L N 0.419 121.639 121.223 -0.006 0.000 2.046 343 L HA -0.176 4.156 4.340 -0.012 0.000 0.208 343 L C 2.336 179.212 176.870 0.011 0.000 1.077 343 L CA 1.581 56.435 54.840 0.024 0.000 0.747 343 L CB -0.338 41.763 42.059 0.070 0.000 0.896 343 L HN 0.286 nan 8.230 nan 0.000 0.432 344 A N -0.968 121.863 122.820 0.018 0.000 1.877 344 A HA -0.166 4.147 4.320 -0.012 0.000 0.216 344 A C 2.205 179.786 177.584 -0.005 0.000 1.186 344 A CA 1.842 53.887 52.037 0.012 0.000 0.620 344 A CB -0.990 18.025 19.000 0.026 0.000 0.822 344 A HN 0.285 nan 8.150 nan 0.000 0.443 345 V N 1.131 121.045 119.914 -0.001 0.000 2.287 345 V HA -0.273 3.840 4.120 -0.012 0.000 0.248 345 V C 2.137 178.196 176.094 -0.058 0.000 1.053 345 V CA 2.223 64.518 62.300 -0.009 0.000 1.027 345 V CB -0.952 30.884 31.823 0.021 0.000 0.646 345 V HN 0.555 nan 8.190 nan 0.000 0.447 346 N N -0.480 118.156 118.700 -0.105 0.000 2.453 346 N HA -0.112 4.621 4.740 -0.012 0.000 0.183 346 N C 1.859 177.286 175.510 -0.138 0.000 1.041 346 N CA 0.950 53.895 53.050 -0.174 0.000 0.900 346 N CB -0.294 38.070 38.487 -0.205 0.000 0.961 346 N HN 0.539 nan 8.380 nan 0.000 0.443 347 R N 0.312 120.757 120.500 -0.092 0.000 2.064 347 R HA 0.167 4.500 4.340 -0.012 0.000 0.221 347 R C 1.968 178.237 176.300 -0.052 0.000 1.136 347 R CA 0.322 56.375 56.100 -0.080 0.000 0.980 347 R CB -0.135 30.129 30.300 -0.059 0.000 0.876 347 R HN 0.050 nan 8.270 nan 0.000 0.437 348 L N 0.690 121.892 121.223 -0.034 0.000 2.027 348 L HA -0.013 4.320 4.340 -0.012 0.000 0.206 348 L C 2.765 179.627 176.870 -0.013 0.000 1.074 348 L CA 1.260 56.089 54.840 -0.019 0.000 0.745 348 L CB -0.538 41.516 42.059 -0.009 0.000 0.898 348 L HN 0.329 nan 8.230 nan 0.000 0.433 349 A N 0.549 123.364 122.820 -0.008 0.000 1.883 349 A HA -0.121 4.192 4.320 -0.012 0.000 0.217 349 A C -0.077 177.518 177.584 0.018 0.000 1.186 349 A CA 1.725 53.774 52.037 0.019 0.000 0.624 349 A CB -1.828 17.208 19.000 0.061 0.000 0.822 349 A HN 0.266 nan 8.150 nan 0.000 0.444 350 P HA -0.098 nan 4.420 nan 0.000 0.218 350 P C 1.216 178.521 177.300 0.007 0.000 1.149 350 P CA 1.308 64.411 63.100 0.005 0.000 0.817 350 P CB -0.019 31.666 31.700 -0.025 0.000 0.785 351 E N -0.499 119.697 120.200 -0.007 0.000 2.051 351 E HA -0.153 4.190 4.350 -0.012 0.000 0.192 351 E C 1.974 178.577 176.600 0.006 0.000 0.991 351 E CA 0.952 57.349 56.400 -0.005 0.000 0.799 351 E CB -0.554 29.138 29.700 -0.014 0.000 0.748 351 E HN 0.185 nan 8.360 nan 0.000 0.449 352 I N 0.443 121.016 120.570 0.004 0.000 2.151 352 I HA -0.313 3.849 4.170 -0.012 0.000 0.243 352 I C 2.357 178.498 176.117 0.040 0.000 1.080 352 I CA 0.945 62.250 61.300 0.008 0.000 1.339 352 I CB -0.284 37.712 38.000 -0.006 0.000 1.039 352 I HN 0.035 nan 8.210 nan 0.000 0.409 353 V N -0.157 119.788 119.914 0.051 0.000 2.295 353 V HA -0.313 3.800 4.120 -0.012 0.000 0.246 353 V C 2.607 178.740 176.094 0.065 0.000 1.049 353 V CA 2.242 64.585 62.300 0.072 0.000 1.024 353 V CB -0.607 31.264 31.823 0.080 0.000 0.648 353 V HN 0.490 nan 8.190 nan 0.000 0.447 354 S N -0.136 115.593 115.700 0.048 0.000 2.359 354 S HA -0.270 4.192 4.470 -0.012 0.000 0.224 354 S C 1.751 176.373 174.600 0.036 0.000 1.035 354 S CA 2.079 60.303 58.200 0.041 0.000 1.018 354 S CB -0.511 62.706 63.200 0.027 0.000 0.876 354 S HN 0.655 nan 8.310 nan 0.000 0.448 355 D N 0.506 120.925 120.400 0.033 0.000 2.218 355 D HA -0.035 4.597 4.640 -0.012 0.000 0.204 355 D C 2.053 178.383 176.300 0.050 0.000 0.976 355 D CA 0.870 54.890 54.000 0.033 0.000 0.853 355 D CB -0.719 40.097 40.800 0.027 0.000 0.939 355 D HN 0.444 nan 8.370 nan 0.000 0.481 356 C N 0.148 119.490 119.300 0.071 0.000 2.422 356 C HA -0.086 4.367 4.460 -0.012 0.000 0.279 356 C C 2.684 177.712 174.990 0.062 0.000 1.305 356 C CA 0.119 59.192 59.018 0.092 0.000 1.757 356 C CB -0.979 26.835 27.740 0.124 0.000 1.962 356 C HN 0.299 nan 8.230 nan 0.000 0.499 357 L N 0.707 121.957 121.223 0.045 0.000 2.093 357 L HA -0.099 4.234 4.340 -0.012 0.000 0.208 357 L C 2.615 179.486 176.870 0.001 0.000 1.085 357 L CA 1.601 56.451 54.840 0.017 0.000 0.755 357 L CB -0.579 41.497 42.059 0.028 0.000 0.904 357 L HN 0.224 nan 8.230 nan 0.000 0.435 358 S N -0.477 115.228 115.700 0.010 0.000 2.382 358 S HA -0.125 4.338 4.470 -0.012 0.000 0.228 358 S C 1.950 176.555 174.600 0.009 0.000 1.027 358 S CA 1.160 59.361 58.200 0.002 0.000 0.991 358 S CB -0.331 62.873 63.200 0.006 0.000 0.823 358 S HN 0.301 nan 8.310 nan 0.000 0.469 359 L N 0.837 122.076 121.223 0.026 0.000 2.027 359 L HA -0.065 4.268 4.340 -0.012 0.000 0.206 359 L C 2.337 179.219 176.870 0.019 0.000 1.074 359 L CA 0.931 55.790 54.840 0.032 0.000 0.745 359 L CB -0.688 41.405 42.059 0.057 0.000 0.898 359 L HN 0.190 nan 8.230 nan 0.000 0.433 360 V N -0.538 119.383 119.914 0.011 0.000 2.427 360 V HA 0.011 4.124 4.120 -0.012 0.000 0.248 360 V C 1.422 177.498 176.094 -0.030 0.000 1.051 360 V CA 1.157 63.452 62.300 -0.009 0.000 1.048 360 V CB -1.187 30.610 31.823 -0.044 0.000 0.666 360 V HN 0.707 nan 8.190 nan 0.000 0.456 361 G N -0.337 108.441 108.800 -0.036 0.000 2.584 361 G HA2 -0.130 3.823 3.960 -0.012 0.000 0.229 361 G HA3 -0.130 3.823 3.960 -0.012 0.000 0.229 361 G C 0.783 175.655 174.900 -0.047 0.000 1.320 361 G CA -0.140 44.939 45.100 -0.035 0.000 0.891 361 G HN 0.789 nan 8.290 nan 0.000 0.573 362 G N -0.150 108.633 108.800 -0.027 0.000 2.450 362 G HA2 0.209 4.161 3.960 -0.012 0.000 0.220 362 G HA3 0.209 4.161 3.960 -0.012 0.000 0.220 362 G C 2.149 177.057 174.900 0.013 0.000 1.130 362 G CA 2.909 48.008 45.100 -0.001 0.000 0.760 362 G HN 2.029 nan 8.290 nan 0.000 0.557 363 A N 1.249 124.052 122.820 -0.028 0.000 2.024 363 A HA -0.053 4.260 4.320 -0.012 0.000 0.220 363 A C 2.648 180.119 177.584 -0.188 0.000 1.164 363 A CA 2.383 54.396 52.037 -0.041 0.000 0.643 363 A CB -0.603 18.394 19.000 -0.005 0.000 0.806 363 A HN 0.818 nan 8.150 nan 0.000 0.451 364 S N -2.631 112.869 115.700 -0.333 0.000 2.561 364 S HA -0.057 4.406 4.470 -0.012 0.000 0.225 364 S C 1.361 175.937 174.600 -0.041 0.000 0.977 364 S CA 0.801 58.721 58.200 -0.466 0.000 0.926 364 S CB -0.517 62.470 63.200 -0.355 0.000 0.769 364 S HN 0.558 nan 8.310 nan 0.000 0.533 365 Y N 3.772 124.015 120.300 -0.095 0.000 2.461 365 Y HA 0.255 4.798 4.550 -0.012 0.000 0.277 365 Y C 0.854 176.754 175.900 -0.001 0.000 1.182 365 Y CA -0.266 57.816 58.100 -0.031 0.000 1.276 365 Y CB -0.376 38.067 38.460 -0.027 0.000 1.087 365 Y HN 0.433 nan 8.280 nan 0.000 0.519 366 T N -3.482 111.063 114.554 -0.014 0.000 2.929 366 T HA 0.574 4.916 4.350 -0.012 0.000 0.284 366 T C 1.406 176.081 174.700 -0.042 0.000 1.014 366 T CA -0.307 61.764 62.100 -0.048 0.000 1.051 366 T CB 1.800 70.683 68.868 0.025 0.000 1.028 366 T HN 0.129 nan 8.240 nan 0.000 0.485 367 A N 1.639 124.419 122.820 -0.067 0.000 1.972 367 A HA 0.191 4.504 4.320 -0.012 0.000 0.219 367 A C 2.279 179.861 177.584 -0.004 0.000 1.169 367 A CA 1.488 53.490 52.037 -0.057 0.000 0.635 367 A CB -1.348 17.614 19.000 -0.064 0.000 0.810 367 A HN 1.096 nan 8.150 nan 0.000 0.446 368 G N -2.219 106.590 108.800 0.016 0.000 2.712 368 G HA2 0.019 3.972 3.960 -0.012 0.000 0.212 368 G HA3 0.019 3.972 3.960 -0.012 0.000 0.212 368 G C 0.670 175.597 174.900 0.045 0.000 1.142 368 G CA 0.075 45.188 45.100 0.021 0.000 0.789 368 G HN 0.645 nan 8.290 nan 0.000 0.535 369 H N 1.238 120.307 119.070 -0.002 0.000 2.732 369 H HA 0.109 4.658 4.556 -0.012 0.000 0.351 369 H C -1.388 173.951 175.328 0.018 0.000 1.090 369 H CA -1.289 54.766 56.048 0.013 0.000 1.431 369 H CB 1.993 31.769 29.762 0.024 0.000 1.447 369 H HN -0.067 nan 8.280 nan 0.000 0.582 370 P HA -0.155 nan 4.420 nan 0.000 0.216 370 P C 1.804 179.194 177.300 0.151 0.000 1.150 370 P CA 1.053 64.144 63.100 -0.015 0.000 0.843 370 P CB 0.221 31.855 31.700 -0.110 0.000 0.787 371 L N -1.449 120.005 121.223 0.385 0.000 2.201 371 L HA -0.134 4.199 4.340 -0.012 0.000 0.212 371 L C 2.379 179.353 176.870 0.173 0.000 1.105 371 L CA 1.278 56.275 54.840 0.261 0.000 0.775 371 L CB -0.902 41.296 42.059 0.231 0.000 0.913 371 L HN -0.021 nan 8.230 nan 0.000 0.440 372 A N 0.007 122.931 122.820 0.175 0.000 1.929 372 A HA -0.202 4.111 4.320 -0.012 0.000 0.216 372 A C 2.422 180.056 177.584 0.083 0.000 1.176 372 A CA 1.357 53.455 52.037 0.102 0.000 0.628 372 A CB -0.421 18.618 19.000 0.066 0.000 0.816 372 A HN 0.335 nan 8.150 nan 0.000 0.444 373 R N -0.215 120.337 120.500 0.087 0.000 2.073 373 R HA 0.033 4.365 4.340 -0.012 0.000 0.229 373 R C 1.827 178.182 176.300 0.092 0.000 1.120 373 R CA 1.127 57.273 56.100 0.077 0.000 0.967 373 R CB -0.332 30.007 30.300 0.064 0.000 0.862 373 R HN 0.496 nan 8.270 nan 0.000 0.436 374 L N 0.785 122.068 121.223 0.099 0.000 2.083 374 L HA -0.178 4.155 4.340 -0.012 0.000 0.209 374 L C 2.459 179.396 176.870 0.111 0.000 1.083 374 L CA 0.676 55.579 54.840 0.104 0.000 0.752 374 L CB -0.493 41.630 42.059 0.105 0.000 0.899 374 L HN 0.286 nan 8.230 nan 0.000 0.433 375 L N 0.075 121.361 121.223 0.105 0.000 2.083 375 L HA -0.190 4.143 4.340 -0.012 0.000 0.209 375 L C 2.774 179.708 176.870 0.105 0.000 1.083 375 L CA 1.651 56.551 54.840 0.100 0.000 0.752 375 L CB -0.374 41.743 42.059 0.097 0.000 0.899 375 L HN 0.089 nan 8.230 nan 0.000 0.433 376 R N -0.584 119.978 120.500 0.103 0.000 2.066 376 R HA -0.109 4.224 4.340 -0.012 0.000 0.232 376 R C 1.884 178.274 176.300 0.151 0.000 1.131 376 R CA 1.476 57.644 56.100 0.113 0.000 0.955 376 R CB -0.579 29.774 30.300 0.088 0.000 0.851 376 R HN 0.388 nan 8.270 nan 0.000 0.432 377 D N 0.400 120.892 120.400 0.153 0.000 2.178 377 D HA -0.111 4.521 4.640 -0.012 0.000 0.202 377 D C 1.757 178.204 176.300 0.246 0.000 0.974 377 D CA 0.720 54.836 54.000 0.194 0.000 0.841 377 D CB -0.174 40.721 40.800 0.157 0.000 0.953 377 D HN -0.018 nan 8.370 nan 0.000 0.478 378 V N 1.093 121.129 119.914 0.202 0.000 2.913 378 V HA -0.164 3.948 4.120 -0.012 0.000 0.260 378 V C 1.714 177.883 176.094 0.126 0.000 1.098 378 V CA 1.294 63.727 62.300 0.222 0.000 1.121 378 V CB -0.179 31.735 31.823 0.152 0.000 0.714 378 V HN 0.134 nan 8.190 nan 0.000 0.487 379 Q N -0.195 119.683 119.800 0.130 0.000 2.378 379 Q HA 0.101 4.434 4.340 -0.012 0.000 0.205 379 Q C 2.284 178.328 176.000 0.073 0.000 0.954 379 Q CA 1.204 57.057 55.803 0.083 0.000 0.901 379 Q CB -0.427 28.430 28.738 0.199 0.000 0.981 379 Q HN 0.704 nan 8.270 nan 0.000 0.483 380 A N 1.111 124.048 122.820 0.194 0.000 1.972 380 A HA -0.043 4.270 4.320 -0.012 0.000 0.219 380 A C 2.321 179.920 177.584 0.026 0.000 1.169 380 A CA 1.499 53.709 52.037 0.288 0.000 0.635 380 A CB -0.933 18.300 19.000 0.388 0.000 0.810 380 A HN 0.425 nan 8.150 nan 0.000 0.446 381 G N -0.306 108.204 108.800 -0.483 0.000 2.450 381 G HA2 -0.240 3.713 3.960 -0.012 0.000 0.220 381 G HA3 -0.240 3.713 3.960 -0.012 0.000 0.220 381 G C 1.680 176.314 174.900 -0.443 0.000 1.130 381 G CA 0.856 45.505 45.100 -0.752 0.000 0.760 381 G HN 0.606 nan 8.290 nan 0.000 0.557 382 R N -0.856 119.307 120.500 -0.563 0.000 2.152 382 R HA -0.004 4.329 4.340 -0.012 0.000 0.232 382 R C 1.637 177.530 176.300 -0.679 0.000 1.117 382 R CA 1.038 56.712 56.100 -0.710 0.000 0.981 382 R CB -0.237 29.393 30.300 -1.118 0.000 0.870 382 R HN 0.473 nan 8.270 nan 0.000 0.451 383 F N -0.621 119.322 119.950 -0.012 0.000 2.720 383 F HA 0.260 4.782 4.527 -0.009 0.000 0.301 383 F C 0.768 176.584 175.800 0.027 0.000 1.103 383 F CA -0.272 57.745 58.000 0.028 0.000 1.291 383 F CB 0.040 39.075 39.000 0.057 0.000 1.086 383 F HN -0.190 nan 8.300 nan 0.000 0.592 384 M N 1.711 121.369 119.600 0.097 0.000 2.217 384 M HA 0.110 4.583 4.480 -0.012 0.000 0.352 384 M C 0.044 176.359 176.300 0.025 0.000 1.376 384 M CA 0.278 55.622 55.300 0.074 0.000 1.107 384 M CB 0.416 33.060 32.600 0.074 0.000 1.723 384 M HN -0.065 nan 8.290 nan 0.000 0.461 385 Q N 4.437 124.257 119.800 0.034 0.000 2.222 385 Q HA 0.578 4.911 4.340 -0.012 0.000 0.252 385 Q C -2.184 173.776 176.000 -0.067 0.000 0.926 385 Q CA -1.505 54.288 55.803 -0.016 0.000 0.899 385 Q CB 1.351 30.117 28.738 0.046 0.000 1.250 385 Q HN 0.412 nan 8.270 nan 0.000 0.441 386 P HA 0.408 nan 4.420 nan 0.000 0.290 386 P C -1.354 175.493 177.300 -0.754 0.000 1.283 386 P CA -0.440 62.282 63.100 -0.631 0.000 0.869 386 P CB 0.803 31.767 31.700 -1.226 0.000 1.100 387 Y N -0.140 119.962 120.300 -0.329 0.000 2.487 387 Y HA 0.564 5.105 4.550 -0.015 0.000 0.337 387 Y C 0.970 176.791 175.900 -0.133 0.000 1.076 387 Y CA -1.000 56.987 58.100 -0.190 0.000 1.115 387 Y CB 1.302 39.646 38.460 -0.193 0.000 1.235 387 Y HN 0.464 nan 8.280 nan 0.000 0.468 388 A N 1.559 124.441 122.820 0.103 0.000 2.406 388 A HA 0.046 4.359 4.320 -0.012 0.000 0.243 388 A C 0.954 178.585 177.584 0.080 0.000 1.082 388 A CA -0.155 51.923 52.037 0.069 0.000 0.786 388 A CB -0.179 18.889 19.000 0.114 0.000 1.029 388 A HN 0.949 nan 8.150 nan 0.000 0.495 389 Y N 1.865 122.138 120.300 -0.045 0.000 2.030 389 Y HA -0.285 4.263 4.550 -0.002 0.000 0.272 389 Y C 2.110 178.003 175.900 -0.010 0.000 1.185 389 Y CA 2.886 60.962 58.100 -0.040 0.000 1.120 389 Y CB -0.701 37.722 38.460 -0.062 0.000 0.955 389 Y HN 0.263 nan 8.280 nan 0.000 0.495 390 V N 0.799 120.661 119.914 -0.086 0.000 2.282 390 V HA -0.344 3.769 4.120 -0.012 0.000 0.249 390 V C 2.084 178.068 176.094 -0.183 0.000 1.057 390 V CA 2.342 64.539 62.300 -0.171 0.000 1.032 390 V CB -0.716 31.107 31.823 -0.001 0.000 0.645 390 V HN 0.471 nan 8.190 nan 0.000 0.447 391 D N 0.168 120.502 120.400 -0.109 0.000 2.183 391 D HA -0.053 4.580 4.640 -0.012 0.000 0.203 391 D C 2.218 178.396 176.300 -0.204 0.000 0.969 391 D CA 1.417 55.322 54.000 -0.159 0.000 0.842 391 D CB -0.244 40.480 40.800 -0.127 0.000 0.957 391 D HN 0.458 nan 8.370 nan 0.000 0.484 392 A N 0.820 123.580 122.820 -0.101 0.000 1.933 392 A HA -0.129 4.184 4.320 -0.012 0.000 0.218 392 A C 2.495 180.033 177.584 -0.078 0.000 1.175 392 A CA 0.993 53.025 52.037 -0.008 0.000 0.628 392 A CB -0.651 18.356 19.000 0.011 0.000 0.814 392 A HN 0.143 nan 8.150 nan 0.000 0.444 393 V N 0.423 120.187 119.914 -0.249 0.000 2.427 393 V HA -0.194 3.918 4.120 -0.012 0.000 0.248 393 V C 2.053 178.053 176.094 -0.157 0.000 1.051 393 V CA 2.171 64.325 62.300 -0.243 0.000 1.048 393 V CB -0.666 30.920 31.823 -0.395 0.000 0.666 393 V HN 0.496 nan 8.190 nan 0.000 0.456 394 D N -0.511 119.797 120.400 -0.153 0.000 2.117 394 D HA -0.155 4.477 4.640 -0.012 0.000 0.198 394 D C 1.856 178.092 176.300 -0.106 0.000 0.982 394 D CA 1.158 55.083 54.000 -0.125 0.000 0.828 394 D CB -0.248 40.477 40.800 -0.126 0.000 0.967 394 D HN 0.449 nan 8.370 nan 0.000 0.464 395 F N 1.560 121.360 119.950 -0.249 0.000 2.051 395 F HA -0.142 4.376 4.527 -0.015 0.000 0.296 395 F C 2.145 177.877 175.800 -0.112 0.000 1.122 395 F CA 1.263 59.135 58.000 -0.213 0.000 1.201 395 F CB -0.509 38.319 39.000 -0.287 0.000 0.978 395 F HN -0.137 nan 8.300 nan 0.000 0.472 396 L N 0.174 121.292 121.223 -0.174 0.000 2.012 396 L HA -0.249 4.083 4.340 -0.012 0.000 0.210 396 L C 2.734 179.460 176.870 -0.240 0.000 1.073 396 L CA 1.719 56.412 54.840 -0.245 0.000 0.748 396 L CB -1.112 40.914 42.059 -0.054 0.000 0.891 396 L HN 0.357 nan 8.230 nan 0.000 0.431 397 S N -0.212 115.384 115.700 -0.173 0.000 2.406 397 S HA -0.075 4.388 4.470 -0.012 0.000 0.228 397 S C 2.149 176.651 174.600 -0.163 0.000 1.020 397 S CA 0.642 58.757 58.200 -0.142 0.000 0.965 397 S CB -0.366 62.770 63.200 -0.107 0.000 0.798 397 S HN 0.344 nan 8.310 nan 0.000 0.488 398 A N 1.885 124.584 122.820 -0.201 0.000 1.877 398 A HA -0.102 4.211 4.320 -0.012 0.000 0.216 398 A C 2.432 179.881 177.584 -0.226 0.000 1.186 398 A CA 1.463 53.385 52.037 -0.191 0.000 0.620 398 A CB -0.663 18.227 19.000 -0.184 0.000 0.822 398 A HN 0.470 nan 8.150 nan 0.000 0.443 399 Q N -0.590 118.997 119.800 -0.356 0.000 2.079 399 Q HA -0.052 4.281 4.340 -0.012 0.000 0.200 399 Q C 2.396 178.274 176.000 -0.204 0.000 0.974 399 Q CA 1.651 57.256 55.803 -0.330 0.000 0.840 399 Q CB -0.770 27.664 28.738 -0.506 0.000 0.898 399 Q HN 0.648 nan 8.270 nan 0.000 0.430 400 A N 0.238 122.947 122.820 -0.185 0.000 1.969 400 A HA -0.040 4.273 4.320 -0.012 0.000 0.218 400 A C 1.894 179.422 177.584 -0.094 0.000 1.169 400 A CA 0.845 52.809 52.037 -0.122 0.000 0.635 400 A CB -0.274 18.664 19.000 -0.104 0.000 0.810 400 A HN 0.302 nan 8.150 nan 0.000 0.445 401 L N -1.303 119.861 121.223 -0.098 0.000 2.667 401 L HA 0.274 4.607 4.340 -0.012 0.000 0.232 401 L C 1.404 178.233 176.870 -0.069 0.000 1.138 401 L CA 0.380 55.176 54.840 -0.073 0.000 0.921 401 L CB 0.165 42.183 42.059 -0.069 0.000 1.180 401 L HN 0.510 nan 8.230 nan 0.000 0.487 402 G N 1.176 109.928 108.800 -0.081 0.000 2.198 402 G HA2 -0.289 3.664 3.960 -0.012 0.000 0.260 402 G HA3 -0.289 3.664 3.960 -0.012 0.000 0.260 402 G C 0.352 175.216 174.900 -0.061 0.000 1.025 402 G CA 0.219 45.278 45.100 -0.067 0.000 0.769 402 G HN 0.307 nan 8.290 nan 0.000 0.507 403 I N 0.000 120.526 120.570 -0.073 0.000 2.984 403 I HA 0.000 4.163 4.170 -0.012 0.000 0.288 403 I CA 0.000 61.264 61.300 -0.060 0.000 1.566 403 I CB 0.000 37.960 38.000 -0.066 0.000 1.214 403 I HN 0.000 nan 8.210 nan 0.000 0.494