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 1gtj_1_2 DATA FIRST_RESID 1 DATA SEQUENCE AAPTAYTPLD VAQAYQFPEG LDGQGQCIAI IELGGGYDET SLAQYFASLG DATA SEQUENCE VSAPQVVSVS VDGATNQPTG DPNGPDGEVE LDIEVAGALA PGAKIAVYFA DATA SEQUENCE PNTDAGFLNA ITTAVHDPTH KPSIVSISWG GPEDSWAPAS IAAMNRAFLD DATA SEQUENCE AAALGVTVLA AAGDSGSTDG EQDGLYHVDF PAASPYVLAC GGTRLVASAG DATA SEQUENCE RIERETVWND GPDGGSTGGG VSRIFPLPSW QERANVPPSA NPGAGSGRGV DATA SEQUENCE PDVAGNADPA TGYEVVIDGE TTVIGGTSAV APLFAALVAR INQKLGKPVG DATA SEQUENCE YLNPTLYQLP PEVFHDITEG NNDIANRARI YQAGPGWDPC TGLGSPIGIR DATA SEQUENCE LLQALLP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.009 0.000 1.274 1 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 2 A N 2.080 124.888 122.820 -0.021 0.000 2.407 2 A HA 0.578 4.947 4.320 0.083 0.000 0.248 2 A C -2.033 175.525 177.584 -0.044 0.000 1.082 2 A CA -0.565 51.454 52.037 -0.029 0.000 0.785 2 A CB -0.697 18.282 19.000 -0.035 0.000 1.020 2 A HN 0.434 nan 8.150 nan 0.000 0.489 3 P HA 0.182 nan 4.420 nan 0.000 0.271 3 P C -0.017 177.222 177.300 -0.102 0.000 1.233 3 P CA 0.239 63.302 63.100 -0.061 0.000 0.764 3 P CB 0.568 32.242 31.700 -0.043 0.000 0.825 4 T N 0.424 114.886 114.554 -0.153 0.000 2.870 4 T HA 0.860 5.260 4.350 0.083 0.000 0.277 4 T C -0.306 174.212 174.700 -0.303 0.000 1.000 4 T CA -0.877 61.079 62.100 -0.241 0.000 0.982 4 T CB 1.633 70.308 68.868 -0.323 0.000 1.249 4 T HN 0.588 nan 8.240 nan 0.000 0.589 5 A N -0.233 122.328 122.820 -0.431 0.000 2.612 5 A HA 0.727 5.097 4.320 0.083 0.000 0.293 5 A C -2.112 175.140 177.584 -0.553 0.000 1.075 5 A CA -1.061 50.737 52.037 -0.398 0.000 0.680 5 A CB 0.918 19.802 19.000 -0.194 0.000 1.279 5 A HN 0.812 nan 8.150 nan 0.000 0.411 6 Y N -0.369 119.803 120.300 -0.213 0.000 2.576 6 Y HA 0.648 5.247 4.550 0.083 0.000 0.346 6 Y C 0.982 176.810 175.900 -0.119 0.000 1.018 6 Y CA -0.174 57.806 58.100 -0.200 0.000 1.050 6 Y CB 2.246 40.521 38.460 -0.307 0.000 1.280 6 Y HN 0.835 nan 8.280 nan 0.000 0.474 7 T N -2.160 112.462 114.554 0.113 0.000 2.902 7 T HA 0.287 4.687 4.350 0.083 0.000 0.280 7 T C -2.267 172.518 174.700 0.142 0.000 0.992 7 T CA -2.158 60.017 62.100 0.125 0.000 1.015 7 T CB 1.594 70.488 68.868 0.043 0.000 1.044 7 T HN 0.301 nan 8.240 nan 0.000 0.520 8 P HA -0.047 nan 4.420 nan 0.000 0.218 8 P C 1.701 178.993 177.300 -0.015 0.000 1.148 8 P CA 0.556 63.763 63.100 0.179 0.000 0.822 8 P CB -0.044 31.760 31.700 0.173 0.000 0.784 9 L N -0.158 121.053 121.223 -0.020 0.000 2.131 9 L HA -0.153 4.237 4.340 0.083 0.000 0.210 9 L C 1.724 178.509 176.870 -0.141 0.000 1.092 9 L CA 1.954 56.743 54.840 -0.085 0.000 0.759 9 L CB -1.528 40.505 42.059 -0.044 0.000 0.903 9 L HN 0.103 nan 8.230 nan 0.000 0.435 10 D N -0.352 119.983 120.400 -0.109 0.000 2.144 10 D HA -0.117 4.572 4.640 0.083 0.000 0.200 10 D C 2.341 178.438 176.300 -0.338 0.000 0.978 10 D CA 0.881 54.796 54.000 -0.141 0.000 0.833 10 D CB 0.152 40.954 40.800 0.003 0.000 0.961 10 D HN 0.158 nan 8.370 nan 0.000 0.470 11 V N 1.795 121.450 119.914 -0.431 0.000 2.358 11 V HA -0.208 3.962 4.120 0.083 0.000 0.246 11 V C 2.640 178.331 176.094 -0.671 0.000 1.047 11 V CA 1.670 63.560 62.300 -0.683 0.000 1.035 11 V CB -0.771 30.745 31.823 -0.511 0.000 0.658 11 V HN 0.154 nan 8.190 nan 0.000 0.452 12 A N -0.783 121.669 122.820 -0.613 0.000 1.908 12 A HA -0.313 4.057 4.320 0.083 0.000 0.218 12 A C 2.190 179.488 177.584 -0.477 0.000 1.181 12 A CA 2.100 53.534 52.037 -1.005 0.000 0.627 12 A CB -0.491 17.906 19.000 -1.005 0.000 0.818 12 A HN 0.631 nan 8.150 nan 0.000 0.445 13 Q N -0.915 118.705 119.800 -0.301 0.000 2.079 13 Q HA -0.078 4.311 4.340 0.083 0.000 0.200 13 Q C 2.440 178.363 176.000 -0.128 0.000 0.974 13 Q CA 1.242 56.957 55.803 -0.147 0.000 0.840 13 Q CB -0.364 28.302 28.738 -0.120 0.000 0.898 13 Q HN 0.696 nan 8.270 nan 0.000 0.430 14 A N 0.211 122.876 122.820 -0.258 0.000 1.933 14 A HA -0.160 4.209 4.320 0.083 0.000 0.218 14 A C 1.339 178.897 177.584 -0.045 0.000 1.175 14 A CA 1.062 52.950 52.037 -0.248 0.000 0.628 14 A CB -0.686 18.016 19.000 -0.497 0.000 0.814 14 A HN 0.484 nan 8.150 nan 0.000 0.444 15 Y N -0.418 119.864 120.300 -0.030 0.000 2.470 15 Y HA 0.114 4.714 4.550 0.085 0.000 0.284 15 Y C 0.215 176.230 175.900 0.192 0.000 1.188 15 Y CA -0.177 57.992 58.100 0.115 0.000 1.269 15 Y CB -0.216 38.421 38.460 0.296 0.000 1.094 15 Y HN 0.441 nan 8.280 nan 0.000 0.518 16 Q N 0.020 119.966 119.800 0.243 0.000 2.423 16 Q HA -0.239 4.150 4.340 0.083 0.000 0.332 16 Q C -0.788 175.386 176.000 0.291 0.000 1.355 16 Q CA 0.081 55.997 55.803 0.188 0.000 0.947 16 Q CB -1.730 27.072 28.738 0.106 0.000 1.189 16 Q HN 0.311 nan 8.270 nan 0.000 0.418 17 F N 1.768 121.756 119.950 0.062 0.000 2.563 17 F HA 0.097 4.671 4.527 0.079 0.000 0.363 17 F C -1.203 174.609 175.800 0.020 0.000 1.123 17 F CA -1.915 56.116 58.000 0.052 0.000 1.307 17 F CB -0.045 38.999 39.000 0.073 0.000 1.115 17 F HN 0.097 nan 8.300 nan 0.000 0.592 18 P HA 0.014 nan 4.420 nan 0.000 0.271 18 P C -0.444 176.904 177.300 0.080 0.000 1.226 18 P CA -0.066 63.070 63.100 0.061 0.000 0.765 18 P CB 0.695 32.391 31.700 -0.007 0.000 0.835 19 E N 1.701 121.938 120.200 0.061 0.000 2.374 19 E HA 0.267 4.666 4.350 0.083 0.000 0.260 19 E C 1.334 177.953 176.600 0.032 0.000 1.101 19 E CA 0.069 56.500 56.400 0.051 0.000 0.907 19 E CB 0.220 29.942 29.700 0.037 0.000 1.014 19 E HN 0.767 nan 8.360 nan 0.000 0.427 20 G N 1.001 109.818 108.800 0.029 0.000 2.148 20 G HA2 -0.276 3.734 3.960 0.083 0.000 0.254 20 G HA3 -0.276 3.734 3.960 0.083 0.000 0.254 20 G C -0.036 174.874 174.900 0.016 0.000 0.981 20 G CA 0.363 45.473 45.100 0.017 0.000 0.670 20 G HN 0.292 nan 8.290 nan 0.000 0.528 21 L N 0.416 121.655 121.223 0.026 0.000 2.385 21 L HA 0.606 4.996 4.340 0.083 0.000 0.273 21 L C -0.002 176.888 176.870 0.034 0.000 0.990 21 L CA -0.451 54.402 54.840 0.021 0.000 0.821 21 L CB 2.024 44.091 42.059 0.013 0.000 1.279 21 L HN 0.188 nan 8.230 nan 0.000 0.412 22 D N 0.434 120.848 120.400 0.023 0.000 2.556 22 D HA 0.184 4.873 4.640 0.083 0.000 0.237 22 D C 1.000 177.311 176.300 0.018 0.000 1.296 22 D CA 0.375 54.390 54.000 0.025 0.000 0.807 22 D CB 1.045 41.851 40.800 0.009 0.000 1.084 22 D HN 0.683 nan 8.370 nan 0.000 0.510 23 G N 0.772 109.581 108.800 0.015 0.000 2.159 23 G HA2 -0.339 3.670 3.960 0.083 0.000 0.256 23 G HA3 -0.339 3.670 3.960 0.083 0.000 0.256 23 G C 0.198 175.101 174.900 0.004 0.000 0.977 23 G CA 0.249 45.355 45.100 0.010 0.000 0.652 23 G HN 0.599 nan 8.290 nan 0.000 0.531 24 Q N 0.103 119.904 119.800 0.001 0.000 2.304 24 Q HA 0.415 4.805 4.340 0.083 0.000 0.301 24 Q C 1.618 177.619 176.000 0.002 0.000 1.063 24 Q CA 2.264 58.066 55.803 -0.001 0.000 0.947 24 Q CB 0.180 28.916 28.738 -0.003 0.000 1.201 24 Q HN 1.831 nan 8.270 nan 0.000 0.389 25 G N 2.478 111.280 108.800 0.005 0.000 2.195 25 G HA2 -0.199 3.811 3.960 0.083 0.000 0.246 25 G HA3 -0.199 3.811 3.960 0.083 0.000 0.246 25 G C -0.238 174.670 174.900 0.013 0.000 0.984 25 G CA 0.217 45.322 45.100 0.008 0.000 0.633 25 G HN 0.585 nan 8.290 nan 0.000 0.525 26 Q N -0.436 119.373 119.800 0.014 0.000 2.248 26 Q HA 0.649 5.039 4.340 0.083 0.000 0.263 26 Q C -0.285 175.733 176.000 0.031 0.000 1.007 26 Q CA -0.435 55.380 55.803 0.020 0.000 0.877 26 Q CB 2.098 30.845 28.738 0.015 0.000 1.315 26 Q HN 0.577 nan 8.270 nan 0.000 0.454 27 C N 2.712 122.038 119.300 0.044 0.000 2.369 27 C HA 0.680 5.190 4.460 0.083 0.000 0.322 27 C C -0.616 174.411 174.990 0.062 0.000 1.258 27 C CA -0.523 58.533 59.018 0.062 0.000 1.487 27 C CB -0.315 27.484 27.740 0.099 0.000 2.165 27 C HN 0.756 nan 8.230 nan 0.000 0.483 28 I N 5.769 126.374 120.570 0.058 0.000 2.339 28 I HA 0.501 4.721 4.170 0.083 0.000 0.290 28 I C 0.637 176.806 176.117 0.088 0.000 0.994 28 I CA -0.077 61.259 61.300 0.060 0.000 1.191 28 I CB 1.522 39.550 38.000 0.047 0.000 1.343 28 I HN 0.838 nan 8.210 nan 0.000 0.458 29 A N 8.050 130.936 122.820 0.109 0.000 2.301 29 A HA 0.809 5.178 4.320 0.083 0.000 0.312 29 A C -0.490 177.173 177.584 0.133 0.000 1.182 29 A CA -0.391 51.765 52.037 0.197 0.000 0.826 29 A CB 0.519 19.593 19.000 0.123 0.000 1.134 29 A HN 0.689 nan 8.150 nan 0.000 0.501 30 I N 3.429 124.097 120.570 0.165 0.000 2.436 30 I HA 0.289 4.509 4.170 0.083 0.000 0.289 30 I C -0.749 175.427 176.117 0.099 0.000 1.010 30 I CA -0.657 60.701 61.300 0.098 0.000 1.098 30 I CB 1.700 39.725 38.000 0.042 0.000 1.266 30 I HN 0.408 nan 8.210 nan 0.000 0.434 31 I N 5.564 126.192 120.570 0.098 0.000 2.365 31 I HA 0.368 4.588 4.170 0.083 0.000 0.291 31 I C 0.066 176.157 176.117 -0.044 0.000 1.004 31 I CA -0.323 61.005 61.300 0.046 0.000 1.311 31 I CB 0.927 39.006 38.000 0.131 0.000 1.401 31 I HN 0.526 nan 8.210 nan 0.000 0.491 32 E N 6.638 126.685 120.200 -0.255 0.000 2.275 32 E HA 0.379 4.779 4.350 0.083 0.000 0.270 32 E C -0.167 176.087 176.600 -0.578 0.000 0.882 32 E CA -0.500 55.698 56.400 -0.338 0.000 0.758 32 E CB 2.740 32.285 29.700 -0.260 0.000 1.195 32 E HN 0.462 nan 8.360 nan 0.000 0.419 33 L N 0.621 121.096 121.223 -1.247 0.000 2.769 33 L HA 0.471 4.860 4.340 0.083 0.000 0.240 33 L C 0.731 177.255 176.870 -0.577 0.000 1.163 33 L CA -0.198 54.039 54.840 -1.004 0.000 0.962 33 L CB 0.549 41.770 42.059 -1.396 0.000 1.258 33 L HN 0.553 nan 8.230 nan 0.000 0.513 34 G N -1.619 107.060 108.800 -0.203 0.000 2.451 34 G HA2 0.470 4.480 3.960 0.083 0.000 0.292 34 G HA3 0.470 4.480 3.960 0.083 0.000 0.292 34 G C -0.293 174.796 174.900 0.314 0.000 1.427 34 G CA -0.044 45.130 45.100 0.123 0.000 0.792 34 G HN 0.195 nan 8.290 nan 0.000 0.498 35 G N -1.210 107.713 108.800 0.205 0.000 2.641 35 G HA2 0.512 4.521 3.960 0.083 0.000 0.254 35 G HA3 0.512 4.521 3.960 0.083 0.000 0.254 35 G C 0.669 175.651 174.900 0.136 0.000 1.315 35 G CA 0.973 46.178 45.100 0.175 0.000 0.907 35 G HN 2.642 nan 8.290 nan 0.000 0.572 36 G N -2.685 106.202 108.800 0.146 0.000 2.489 36 G HA2 0.856 4.866 3.960 0.083 0.000 0.305 36 G HA3 0.856 4.866 3.960 0.083 0.000 0.305 36 G C -1.043 173.960 174.900 0.171 0.000 1.311 36 G CA 0.272 45.409 45.100 0.061 0.000 0.813 36 G HN 2.163 nan 8.290 nan 0.000 0.480 37 Y N -0.417 119.948 120.300 0.108 0.000 2.602 37 Y HA 0.803 5.402 4.550 0.082 0.000 0.342 37 Y C -0.836 175.087 175.900 0.039 0.000 1.029 37 Y CA -1.424 56.725 58.100 0.081 0.000 1.080 37 Y CB 1.946 40.477 38.460 0.118 0.000 1.284 37 Y HN 0.623 nan 8.280 nan 0.000 0.485 38 D N 0.843 121.372 120.400 0.215 0.000 2.481 38 D HA 0.165 4.854 4.640 0.083 0.000 0.244 38 D C -0.130 176.300 176.300 0.216 0.000 1.057 38 D CA -0.602 53.471 54.000 0.120 0.000 0.848 38 D CB 2.266 43.096 40.800 0.049 0.000 1.388 38 D HN 0.667 nan 8.370 nan 0.000 0.475 39 E N 1.323 121.635 120.200 0.186 0.000 2.110 39 E HA -0.118 4.281 4.350 0.083 0.000 0.193 39 E C 1.696 178.372 176.600 0.127 0.000 0.988 39 E CA 1.288 57.798 56.400 0.183 0.000 0.804 39 E CB -0.363 29.425 29.700 0.147 0.000 0.745 39 E HN 0.597 nan 8.360 nan 0.000 0.458 40 T N 1.232 115.839 114.554 0.088 0.000 2.652 40 T HA -0.133 4.266 4.350 0.083 0.000 0.267 40 T C 2.154 176.889 174.700 0.058 0.000 1.039 40 T CA 1.743 63.882 62.100 0.065 0.000 1.153 40 T CB -0.258 68.636 68.868 0.044 0.000 0.863 40 T HN 0.105 nan 8.240 nan 0.000 0.428 41 S N 1.358 117.087 115.700 0.048 0.000 2.370 41 S HA -0.014 4.506 4.470 0.083 0.000 0.226 41 S C 2.075 176.668 174.600 -0.012 0.000 1.033 41 S CA 0.972 59.181 58.200 0.014 0.000 1.011 41 S CB -0.541 62.655 63.200 -0.005 0.000 0.852 41 S HN 0.350 nan 8.310 nan 0.000 0.457 42 L N 1.071 122.299 121.223 0.009 0.000 2.017 42 L HA -0.139 4.251 4.340 0.083 0.000 0.208 42 L C 2.856 179.750 176.870 0.040 0.000 1.073 42 L CA 1.277 56.088 54.840 -0.049 0.000 0.745 42 L CB -0.810 41.330 42.059 0.134 0.000 0.894 42 L HN 0.329 nan 8.230 nan 0.000 0.432 43 A N -0.429 122.480 122.820 0.148 0.000 1.877 43 A HA -0.290 4.080 4.320 0.083 0.000 0.216 43 A C 2.290 179.944 177.584 0.117 0.000 1.186 43 A CA 1.923 54.069 52.037 0.181 0.000 0.620 43 A CB -0.660 18.420 19.000 0.134 0.000 0.822 43 A HN 0.509 nan 8.150 nan 0.000 0.443 44 Q N -1.876 117.965 119.800 0.069 0.000 2.096 44 Q HA -0.247 4.143 4.340 0.083 0.000 0.204 44 Q C 1.963 177.982 176.000 0.033 0.000 0.982 44 Q CA 2.096 57.928 55.803 0.048 0.000 0.850 44 Q CB -0.331 28.432 28.738 0.042 0.000 0.901 44 Q HN 0.786 nan 8.270 nan 0.000 0.422 45 Y N -0.117 120.086 120.300 -0.162 0.000 2.114 45 Y HA -0.272 4.328 4.550 0.083 0.000 0.284 45 Y C 1.744 177.521 175.900 -0.204 0.000 1.143 45 Y CA 1.923 59.869 58.100 -0.256 0.000 1.135 45 Y CB -0.293 37.885 38.460 -0.470 0.000 0.980 45 Y HN 0.125 nan 8.280 nan 0.000 0.499 46 F N 0.133 120.095 119.950 0.021 0.000 2.134 46 F HA -0.198 4.378 4.527 0.080 0.000 0.299 46 F C 2.601 178.340 175.800 -0.101 0.000 1.097 46 F CA 1.130 59.085 58.000 -0.076 0.000 1.264 46 F CB -1.454 37.560 39.000 0.025 0.000 1.001 46 F HN 0.164 nan 8.300 nan 0.000 0.479 47 A N 0.023 122.909 122.820 0.110 0.000 1.908 47 A HA -0.215 4.155 4.320 0.083 0.000 0.218 47 A C 2.392 179.966 177.584 -0.017 0.000 1.181 47 A CA 2.214 54.280 52.037 0.048 0.000 0.627 47 A CB -1.266 17.764 19.000 0.049 0.000 0.818 47 A HN 0.416 nan 8.150 nan 0.000 0.445 48 S N -0.396 115.262 115.700 -0.069 0.000 2.447 48 S HA 0.007 4.526 4.470 0.083 0.000 0.233 48 S C 1.579 176.101 174.600 -0.130 0.000 1.006 48 S CA 1.298 59.441 58.200 -0.095 0.000 0.957 48 S CB -0.498 62.638 63.200 -0.108 0.000 0.773 48 S HN 0.441 nan 8.310 nan 0.000 0.507 49 L N 0.807 121.924 121.223 -0.177 0.000 2.558 49 L HA 0.310 4.700 4.340 0.083 0.000 0.225 49 L C 1.766 178.598 176.870 -0.064 0.000 1.128 49 L CA 0.337 55.085 54.840 -0.153 0.000 0.868 49 L CB -0.589 41.342 42.059 -0.214 0.000 1.006 49 L HN 0.586 nan 8.230 nan 0.000 0.454 50 G N 1.206 109.985 108.800 -0.035 0.000 2.176 50 G HA2 -0.240 3.769 3.960 0.083 0.000 0.252 50 G HA3 -0.240 3.769 3.960 0.083 0.000 0.252 50 G C 0.127 175.026 174.900 -0.001 0.000 1.024 50 G CA 0.335 45.427 45.100 -0.014 0.000 0.755 50 G HN 0.292 nan 8.290 nan 0.000 0.507 51 V N -2.718 117.208 119.914 0.020 0.000 2.715 51 V HA 0.892 5.062 4.120 0.083 0.000 0.310 51 V C 0.534 176.629 176.094 0.001 0.000 1.054 51 V CA -0.291 62.018 62.300 0.015 0.000 0.928 51 V CB 1.969 33.810 31.823 0.031 0.000 1.007 51 V HN 0.980 nan 8.190 nan 0.000 0.437 52 S N 3.581 119.255 115.700 -0.044 0.000 2.455 52 S HA 0.574 5.094 4.470 0.083 0.000 0.278 52 S C 0.612 175.103 174.600 -0.182 0.000 1.216 52 S CA 0.032 58.192 58.200 -0.068 0.000 1.055 52 S CB -0.371 62.796 63.200 -0.055 0.000 0.939 52 S HN 1.923 nan 8.310 nan 0.000 0.494 53 A N 7.978 130.682 122.820 -0.193 0.000 2.567 53 A HA 0.339 4.709 4.320 0.083 0.000 0.240 53 A C -1.814 175.547 177.584 -0.372 0.000 1.053 53 A CA -0.734 51.036 52.037 -0.444 0.000 0.755 53 A CB -0.302 18.639 19.000 -0.099 0.000 0.978 53 A HN 0.726 nan 8.150 nan 0.000 0.507 54 P HA 0.122 nan 4.420 nan 0.000 0.276 54 P C -0.688 176.518 177.300 -0.156 0.000 1.261 54 P CA -0.518 62.420 63.100 -0.269 0.000 0.800 54 P CB 0.581 32.119 31.700 -0.270 0.000 1.066 55 Q N 0.671 120.422 119.800 -0.082 0.000 2.288 55 Q HA 0.328 4.718 4.340 0.083 0.000 0.258 55 Q C -1.310 174.670 176.000 -0.033 0.000 0.957 55 Q CA -0.343 55.441 55.803 -0.032 0.000 0.919 55 Q CB 0.452 29.187 28.738 -0.005 0.000 1.185 55 Q HN 0.187 nan 8.270 nan 0.000 0.408 56 V N 5.420 125.322 119.914 -0.020 0.000 2.487 56 V HA 0.497 4.667 4.120 0.083 0.000 0.298 56 V C -0.263 175.843 176.094 0.020 0.000 1.028 56 V CA -0.686 61.582 62.300 -0.053 0.000 0.860 56 V CB 1.523 33.248 31.823 -0.163 0.000 0.991 56 V HN 0.673 nan 8.190 nan 0.000 0.427 57 V N 1.675 121.589 119.914 0.000 0.000 2.962 57 V HA 0.820 4.989 4.120 0.083 0.000 0.313 57 V C -0.252 175.855 176.094 0.021 0.000 1.099 57 V CA -0.461 61.863 62.300 0.040 0.000 0.971 57 V CB 2.199 34.014 31.823 -0.013 0.000 1.028 57 V HN 0.674 nan 8.190 nan 0.000 0.430 58 S N 1.868 117.635 115.700 0.112 0.000 2.565 58 S HA 0.819 5.338 4.470 0.083 0.000 0.290 58 S C -0.478 174.096 174.600 -0.043 0.000 1.150 58 S CA -0.561 57.727 58.200 0.146 0.000 1.058 58 S CB 1.644 65.020 63.200 0.294 0.000 1.032 58 S HN 0.836 nan 8.310 nan 0.000 0.510 59 V N 2.272 122.105 119.914 -0.137 0.000 2.531 59 V HA 0.452 4.622 4.120 0.083 0.000 0.301 59 V C 0.022 176.147 176.094 0.051 0.000 1.034 59 V CA -0.707 61.490 62.300 -0.173 0.000 0.865 59 V CB 1.870 33.325 31.823 -0.613 0.000 0.995 59 V HN 0.846 nan 8.190 nan 0.000 0.424 60 S N 4.334 120.088 115.700 0.090 0.000 2.489 60 S HA 0.620 5.139 4.470 0.083 0.000 0.277 60 S C -0.579 174.100 174.600 0.132 0.000 1.230 60 S CA -0.366 57.907 58.200 0.121 0.000 1.053 60 S CB 0.792 64.034 63.200 0.071 0.000 0.955 60 S HN 0.509 nan 8.310 nan 0.000 0.488 61 V N 5.188 125.192 119.914 0.150 0.000 2.495 61 V HA 0.370 4.539 4.120 0.083 0.000 0.298 61 V C -0.403 175.749 176.094 0.096 0.000 1.031 61 V CA -0.736 61.645 62.300 0.136 0.000 0.871 61 V CB 1.544 33.464 31.823 0.161 0.000 0.988 61 V HN 0.998 nan 8.190 nan 0.000 0.432 62 D N 3.958 124.404 120.400 0.077 0.000 2.701 62 D HA -0.202 4.487 4.640 0.083 0.000 0.235 62 D C 1.364 177.690 176.300 0.044 0.000 1.155 62 D CA 1.786 55.820 54.000 0.056 0.000 0.649 62 D CB -1.171 39.662 40.800 0.054 0.000 1.050 62 D HN 1.447 nan 8.370 nan 0.000 0.425 63 G N -1.683 107.143 108.800 0.044 0.000 2.184 63 G HA2 -0.176 3.834 3.960 0.083 0.000 0.264 63 G HA3 -0.176 3.834 3.960 0.083 0.000 0.264 63 G C 0.554 175.466 174.900 0.020 0.000 0.975 63 G CA 0.775 45.891 45.100 0.027 0.000 0.642 63 G HN 1.243 nan 8.290 nan 0.000 0.536 64 A N -0.053 122.792 122.820 0.040 0.000 2.351 64 A HA 0.847 5.217 4.320 0.083 0.000 0.257 64 A C 0.756 178.354 177.584 0.024 0.000 1.087 64 A CA 1.292 53.349 52.037 0.033 0.000 0.798 64 A CB 0.629 19.674 19.000 0.076 0.000 1.033 64 A HN 1.864 nan 8.150 nan 0.000 0.488 65 T N -1.187 113.308 114.554 -0.098 0.000 2.778 65 T HA 0.447 4.846 4.350 0.083 0.000 0.293 65 T C -0.429 173.813 174.700 -0.764 0.000 1.144 65 T CA -0.894 61.058 62.100 -0.246 0.000 1.010 65 T CB 0.877 69.627 68.868 -0.196 0.000 1.325 65 T HN 0.554 nan 8.240 nan 0.000 0.515 66 N N 1.912 120.035 118.700 -0.961 0.000 2.406 66 N HA 0.135 4.924 4.740 0.083 0.000 0.265 66 N C -0.835 174.238 175.510 -0.730 0.000 1.203 66 N CA 0.069 52.284 53.050 -1.392 0.000 0.945 66 N CB -0.228 37.734 38.487 -0.875 0.000 1.165 66 N HN 0.459 nan 8.380 nan 0.000 0.485 67 Q N 4.463 123.898 119.800 -0.608 0.000 3.090 67 Q HA 0.326 4.715 4.340 0.083 0.000 0.241 67 Q C -2.525 173.363 176.000 -0.187 0.000 0.958 67 Q CA -1.589 54.028 55.803 -0.310 0.000 0.715 67 Q CB 1.585 30.188 28.738 -0.225 0.000 1.298 67 Q HN 0.575 nan 8.270 nan 0.000 0.468 68 P HA -0.009 nan 4.420 nan 0.000 0.268 68 P C 0.910 178.184 177.300 -0.043 0.000 1.205 68 P CA 0.248 63.309 63.100 -0.065 0.000 0.771 68 P CB 0.845 32.511 31.700 -0.056 0.000 0.858 69 T N -1.360 113.189 114.554 -0.010 0.000 3.067 69 T HA 0.202 4.601 4.350 0.083 0.000 0.257 69 T C 1.386 176.082 174.700 -0.005 0.000 1.105 69 T CA 0.887 62.983 62.100 -0.006 0.000 1.104 69 T CB -0.703 68.172 68.868 0.011 0.000 0.925 69 T HN 0.630 nan 8.240 nan 0.000 0.498 70 G N 1.215 110.014 108.800 -0.002 0.000 2.195 70 G HA2 -0.214 3.796 3.960 0.083 0.000 0.246 70 G HA3 -0.214 3.796 3.960 0.083 0.000 0.246 70 G C -0.194 174.707 174.900 0.002 0.000 0.984 70 G CA 0.071 45.170 45.100 -0.002 0.000 0.633 70 G HN 0.731 nan 8.290 nan 0.000 0.525 71 D N 1.350 121.754 120.400 0.007 0.000 2.339 71 D HA 0.430 5.120 4.640 0.083 0.000 0.241 71 D C -0.130 176.174 176.300 0.007 0.000 1.183 71 D CA -1.927 52.077 54.000 0.007 0.000 0.859 71 D CB 1.497 42.303 40.800 0.010 0.000 1.067 71 D HN 0.167 nan 8.370 nan 0.000 0.484 72 P HA -0.108 nan 4.420 nan 0.000 0.223 72 P C 0.299 177.596 177.300 -0.007 0.000 1.144 72 P CA 0.688 63.785 63.100 -0.005 0.000 0.783 72 P CB 0.480 32.175 31.700 -0.009 0.000 0.771 73 N N -0.437 118.262 118.700 -0.002 0.000 2.270 73 N HA 0.088 4.878 4.740 0.083 0.000 0.198 73 N C 1.203 176.713 175.510 0.001 0.000 1.117 73 N CA 0.244 53.292 53.050 -0.003 0.000 0.845 73 N CB 0.589 39.076 38.487 0.000 0.000 0.980 73 N HN 0.178 nan 8.380 nan 0.000 0.486 74 G N 1.459 110.265 108.800 0.010 0.000 2.606 74 G HA2 0.217 4.227 3.960 0.083 0.000 0.262 74 G HA3 0.217 4.227 3.960 0.083 0.000 0.262 74 G C -1.433 173.485 174.900 0.030 0.000 1.394 74 G CA -0.665 44.449 45.100 0.023 0.000 1.044 74 G HN -0.109 nan 8.290 nan 0.000 0.553 75 P HA -0.065 nan 4.420 nan 0.000 0.223 75 P C 0.491 177.868 177.300 0.129 0.000 1.144 75 P CA 0.997 64.169 63.100 0.121 0.000 0.783 75 P CB 0.193 32.056 31.700 0.272 0.000 0.771 76 D N 0.357 120.817 120.400 0.100 0.000 2.221 76 D HA -0.109 4.581 4.640 0.083 0.000 0.204 76 D C 2.327 178.663 176.300 0.059 0.000 0.982 76 D CA 1.571 55.631 54.000 0.099 0.000 0.857 76 D CB -1.039 39.798 40.800 0.062 0.000 0.934 76 D HN 0.228 nan 8.370 nan 0.000 0.475 77 G N 0.587 109.397 108.800 0.016 0.000 2.418 77 G HA2 -0.300 3.710 3.960 0.083 0.000 0.217 77 G HA3 -0.300 3.710 3.960 0.083 0.000 0.217 77 G C 1.647 176.517 174.900 -0.049 0.000 1.158 77 G CA 0.870 45.953 45.100 -0.029 0.000 0.771 77 G HN 0.248 nan 8.290 nan 0.000 0.545 78 E N 0.256 120.425 120.200 -0.053 0.000 2.047 78 E HA -0.077 4.322 4.350 0.083 0.000 0.191 78 E C 2.664 179.271 176.600 0.011 0.000 0.987 78 E CA 1.079 57.420 56.400 -0.099 0.000 0.799 78 E CB -0.435 29.117 29.700 -0.247 0.000 0.752 78 E HN 0.189 nan 8.360 nan 0.000 0.449 79 V N 1.004 120.994 119.914 0.127 0.000 2.261 79 V HA -0.241 3.929 4.120 0.083 0.000 0.246 79 V C 2.231 178.385 176.094 0.101 0.000 1.047 79 V CA 2.341 64.755 62.300 0.191 0.000 1.015 79 V CB -0.572 31.462 31.823 0.351 0.000 0.642 79 V HN 0.304 nan 8.190 nan 0.000 0.446 80 E N -0.224 120.014 120.200 0.064 0.000 2.107 80 E HA -0.181 4.218 4.350 0.083 0.000 0.191 80 E C 2.133 178.657 176.600 -0.128 0.000 0.982 80 E CA 1.125 57.510 56.400 -0.024 0.000 0.809 80 E CB -0.173 29.508 29.700 -0.031 0.000 0.756 80 E HN 0.490 nan 8.360 nan 0.000 0.459 81 L N 1.667 122.814 121.223 -0.126 0.000 2.046 81 L HA -0.204 4.185 4.340 0.083 0.000 0.208 81 L C 1.490 178.268 176.870 -0.154 0.000 1.077 81 L CA 1.917 56.649 54.840 -0.179 0.000 0.747 81 L CB -0.239 41.719 42.059 -0.168 0.000 0.896 81 L HN -0.059 nan 8.230 nan 0.000 0.432 82 D N 0.032 120.376 120.400 -0.093 0.000 2.097 82 D HA -0.194 4.496 4.640 0.083 0.000 0.195 82 D C 2.298 178.575 176.300 -0.039 0.000 0.989 82 D CA 2.162 56.124 54.000 -0.062 0.000 0.827 82 D CB -0.236 40.560 40.800 -0.007 0.000 0.966 82 D HN 0.484 nan 8.370 nan 0.000 0.456 83 I N 0.909 121.458 120.570 -0.036 0.000 2.252 83 I HA -0.191 4.029 4.170 0.083 0.000 0.245 83 I C 2.250 178.420 176.117 0.090 0.000 1.102 83 I CA 1.016 62.314 61.300 -0.004 0.000 1.385 83 I CB -0.176 37.778 38.000 -0.078 0.000 1.064 83 I HN -0.051 nan 8.210 nan 0.000 0.414 84 E N 0.262 120.445 120.200 -0.029 0.000 2.106 84 E HA -0.158 4.242 4.350 0.083 0.000 0.192 84 E C 2.339 179.025 176.600 0.143 0.000 0.984 84 E CA 1.170 57.545 56.400 -0.041 0.000 0.806 84 E CB 0.031 29.366 29.700 -0.609 0.000 0.750 84 E HN 0.276 nan 8.360 nan 0.000 0.458 85 V N 1.113 121.029 119.914 0.003 0.000 2.323 85 V HA -0.217 3.953 4.120 0.083 0.000 0.244 85 V C 2.248 178.386 176.094 0.073 0.000 1.041 85 V CA 1.838 64.138 62.300 0.000 0.000 1.025 85 V CB -0.549 31.157 31.823 -0.196 0.000 0.656 85 V HN 0.307 nan 8.190 nan 0.000 0.451 86 A N 0.415 123.271 122.820 0.060 0.000 1.898 86 A HA -0.026 4.344 4.320 0.083 0.000 0.216 86 A C 2.389 180.040 177.584 0.111 0.000 1.181 86 A CA 1.792 53.880 52.037 0.083 0.000 0.620 86 A CB -1.186 17.846 19.000 0.054 0.000 0.819 86 A HN 0.516 nan 8.150 nan 0.000 0.442 87 G N -0.568 108.320 108.800 0.147 0.000 2.408 87 G HA2 0.056 4.066 3.960 0.083 0.000 0.217 87 G HA3 0.056 4.066 3.960 0.083 0.000 0.217 87 G C 1.666 176.627 174.900 0.102 0.000 1.150 87 G CA 1.256 46.415 45.100 0.098 0.000 0.776 87 G HN 0.772 nan 8.290 nan 0.000 0.542 88 A N -0.052 122.989 122.820 0.369 0.000 2.015 88 A HA 0.195 4.564 4.320 0.083 0.000 0.219 88 A C 2.147 179.821 177.584 0.149 0.000 1.163 88 A CA 1.046 53.286 52.037 0.338 0.000 0.646 88 A CB -0.156 19.095 19.000 0.419 0.000 0.806 88 A HN 0.302 nan 8.150 nan 0.000 0.448 89 L N -2.020 119.289 121.223 0.143 0.000 2.477 89 L HA 0.344 4.734 4.340 0.083 0.000 0.220 89 L C 1.375 178.331 176.870 0.143 0.000 1.106 89 L CA 1.098 56.026 54.840 0.147 0.000 0.851 89 L CB -0.113 42.068 42.059 0.204 0.000 0.994 89 L HN 0.340 nan 8.230 nan 0.000 0.462 90 A N -0.420 122.455 122.820 0.092 0.000 3.308 90 A HA 0.469 4.838 4.320 0.083 0.000 0.275 90 A C -1.726 175.856 177.584 -0.004 0.000 0.950 90 A CA -0.535 51.535 52.037 0.056 0.000 0.987 90 A CB -0.019 19.017 19.000 0.061 0.000 1.146 90 A HN 0.027 nan 8.150 nan 0.000 0.488 91 P HA -0.109 nan 4.420 nan 0.000 0.225 91 P C 1.388 178.631 177.300 -0.095 0.000 1.148 91 P CA 1.714 64.739 63.100 -0.124 0.000 0.779 91 P CB 0.099 31.712 31.700 -0.146 0.000 0.780 92 G N -0.297 108.476 108.800 -0.046 0.000 2.623 92 G HA2 0.187 4.197 3.960 0.083 0.000 0.214 92 G HA3 0.187 4.197 3.960 0.083 0.000 0.214 92 G C 0.781 175.667 174.900 -0.024 0.000 1.138 92 G CA 0.387 45.468 45.100 -0.032 0.000 0.794 92 G HN 0.483 nan 8.290 nan 0.000 0.535 93 A N 0.089 122.897 122.820 -0.020 0.000 2.304 93 A HA 0.632 5.001 4.320 0.083 0.000 0.271 93 A C 0.139 177.715 177.584 -0.013 0.000 1.091 93 A CA -0.406 51.628 52.037 -0.006 0.000 0.812 93 A CB 0.604 19.608 19.000 0.008 0.000 1.056 93 A HN 0.238 nan 8.150 nan 0.000 0.489 94 K N 0.972 121.376 120.400 0.007 0.000 2.156 94 K HA 0.448 4.817 4.320 0.083 0.000 0.271 94 K C -0.993 175.613 176.600 0.010 0.000 0.995 94 K CA -0.434 55.859 56.287 0.010 0.000 0.890 94 K CB 1.123 33.649 32.500 0.043 0.000 1.073 94 K HN 0.438 nan 8.250 nan 0.000 0.454 95 I N 2.386 122.947 120.570 -0.016 0.000 2.321 95 I HA 0.285 4.505 4.170 0.083 0.000 0.291 95 I C 0.009 176.091 176.117 -0.058 0.000 0.998 95 I CA -0.733 60.553 61.300 -0.025 0.000 1.227 95 I CB 0.962 38.934 38.000 -0.047 0.000 1.368 95 I HN 0.614 nan 8.210 nan 0.000 0.466 96 A N 7.147 129.935 122.820 -0.053 0.000 2.291 96 A HA 0.686 5.056 4.320 0.083 0.000 0.311 96 A C -0.556 176.931 177.584 -0.162 0.000 1.224 96 A CA -0.509 51.406 52.037 -0.205 0.000 0.821 96 A CB 0.921 19.768 19.000 -0.256 0.000 1.172 96 A HN 0.417 nan 8.150 nan 0.000 0.494 97 V N 3.494 123.259 119.914 -0.247 0.000 2.350 97 V HA 0.278 4.448 4.120 0.083 0.000 0.276 97 V C -1.059 174.784 176.094 -0.418 0.000 1.028 97 V CA -0.344 61.820 62.300 -0.226 0.000 0.860 97 V CB 0.178 31.923 31.823 -0.130 0.000 0.990 97 V HN 0.705 nan 8.190 nan 0.000 0.453 98 Y N 4.669 124.793 120.300 -0.292 0.000 2.353 98 Y HA 0.588 5.189 4.550 0.085 0.000 0.340 98 Y C -0.175 175.523 175.900 -0.336 0.000 0.972 98 Y CA -0.910 57.073 58.100 -0.196 0.000 1.157 98 Y CB 0.888 39.303 38.460 -0.075 0.000 1.157 98 Y HN 0.504 nan 8.280 nan 0.000 0.495 99 F N 2.428 122.429 119.950 0.086 0.000 2.415 99 F HA 0.749 5.328 4.527 0.087 0.000 0.348 99 F C 0.333 176.139 175.800 0.009 0.000 1.119 99 F CA -0.598 57.412 58.000 0.017 0.000 1.069 99 F CB 1.280 40.276 39.000 -0.007 0.000 1.124 99 F HN 0.537 nan 8.300 nan 0.000 0.472 100 A N 4.175 127.056 122.820 0.103 0.000 2.527 100 A HA 0.884 5.253 4.320 0.083 0.000 0.293 100 A C -2.949 174.627 177.584 -0.013 0.000 1.117 100 A CA -2.082 49.986 52.037 0.052 0.000 0.723 100 A CB 1.496 20.521 19.000 0.042 0.000 1.313 100 A HN 0.419 nan 8.150 nan 0.000 0.411 101 P HA 0.127 nan 4.420 nan 0.000 0.272 101 P C -0.639 176.620 177.300 -0.068 0.000 1.223 101 P CA -0.279 62.807 63.100 -0.024 0.000 0.784 101 P CB 0.412 32.115 31.700 0.006 0.000 0.923 102 N N 1.902 120.547 118.700 -0.091 0.000 2.968 102 N HA 0.103 4.892 4.740 0.083 0.000 0.271 102 N C -0.784 174.703 175.510 -0.038 0.000 1.174 102 N CA 0.146 53.123 53.050 -0.123 0.000 1.096 102 N CB -0.711 37.697 38.487 -0.132 0.000 1.403 102 N HN 0.428 nan 8.380 nan 0.000 0.522 103 T N -1.829 112.735 114.554 0.016 0.000 2.841 103 T HA 0.331 4.730 4.350 0.083 0.000 0.296 103 T C 0.622 175.419 174.700 0.162 0.000 1.166 103 T CA -0.694 61.441 62.100 0.058 0.000 1.007 103 T CB 1.145 70.045 68.868 0.054 0.000 1.253 103 T HN -0.124 nan 8.240 nan 0.000 0.511 104 D N 0.755 121.262 120.400 0.179 0.000 2.097 104 D HA -0.002 4.687 4.640 0.083 0.000 0.195 104 D C 2.331 178.791 176.300 0.268 0.000 0.989 104 D CA 1.970 56.160 54.000 0.315 0.000 0.827 104 D CB -0.697 40.260 40.800 0.261 0.000 0.966 104 D HN 0.745 nan 8.370 nan 0.000 0.456 105 A N 0.519 123.438 122.820 0.165 0.000 1.930 105 A HA 0.011 4.381 4.320 0.083 0.000 0.217 105 A C 2.360 180.025 177.584 0.135 0.000 1.175 105 A CA 2.004 54.114 52.037 0.123 0.000 0.627 105 A CB -1.042 18.006 19.000 0.080 0.000 0.815 105 A HN 0.305 nan 8.150 nan 0.000 0.443 106 G N -1.537 107.346 108.800 0.138 0.000 2.418 106 G HA2 -0.216 3.794 3.960 0.083 0.000 0.217 106 G HA3 -0.216 3.794 3.960 0.083 0.000 0.217 106 G C 1.553 176.573 174.900 0.198 0.000 1.158 106 G CA 0.940 46.113 45.100 0.122 0.000 0.771 106 G HN 0.516 nan 8.290 nan 0.000 0.545 107 F N 0.191 120.186 119.950 0.075 0.000 2.102 107 F HA -0.073 4.495 4.527 0.068 0.000 0.298 107 F C 2.444 178.287 175.800 0.071 0.000 1.105 107 F CA 0.814 58.874 58.000 0.101 0.000 1.239 107 F CB 0.086 39.243 39.000 0.261 0.000 0.991 107 F HN 0.173 nan 8.300 nan 0.000 0.474 108 L N 1.143 122.498 121.223 0.220 0.000 2.012 108 L HA -0.281 4.109 4.340 0.083 0.000 0.210 108 L C 1.636 178.527 176.870 0.035 0.000 1.073 108 L CA 2.237 57.089 54.840 0.018 0.000 0.748 108 L CB -1.211 40.852 42.059 0.006 0.000 0.891 108 L HN 0.108 nan 8.230 nan 0.000 0.431 109 N N -0.629 118.119 118.700 0.081 0.000 2.223 109 N HA -0.144 4.645 4.740 0.083 0.000 0.185 109 N C 1.800 177.357 175.510 0.077 0.000 1.016 109 N CA 0.903 53.995 53.050 0.070 0.000 0.863 109 N CB -0.242 38.292 38.487 0.077 0.000 0.983 109 N HN 0.545 nan 8.380 nan 0.000 0.429 110 A N 1.143 124.028 122.820 0.109 0.000 1.898 110 A HA -0.063 4.307 4.320 0.083 0.000 0.216 110 A C 2.104 179.679 177.584 -0.015 0.000 1.181 110 A CA 0.894 52.983 52.037 0.088 0.000 0.620 110 A CB -0.467 18.607 19.000 0.123 0.000 0.819 110 A HN 0.148 nan 8.150 nan 0.000 0.442 111 I N 0.309 120.898 120.570 0.032 0.000 2.142 111 I HA -0.240 3.979 4.170 0.083 0.000 0.240 111 I C 2.914 178.978 176.117 -0.089 0.000 1.078 111 I CA 1.909 63.188 61.300 -0.035 0.000 1.343 111 I CB -0.568 37.391 38.000 -0.069 0.000 1.046 111 I HN 0.527 nan 8.210 nan 0.000 0.405 112 T N -2.631 111.902 114.554 -0.036 0.000 2.788 112 T HA -0.153 4.246 4.350 0.083 0.000 0.268 112 T C 1.845 176.612 174.700 0.112 0.000 1.044 112 T CA 1.835 63.976 62.100 0.068 0.000 1.139 112 T CB -0.889 68.037 68.868 0.097 0.000 0.867 112 T HN 0.218 nan 8.240 nan 0.000 0.454 113 T N 2.020 116.595 114.554 0.036 0.000 2.746 113 T HA 0.103 4.503 4.350 0.083 0.000 0.267 113 T C 2.455 177.121 174.700 -0.056 0.000 1.039 113 T CA 1.330 63.467 62.100 0.062 0.000 1.142 113 T CB -0.785 68.159 68.868 0.126 0.000 0.866 113 T HN 0.618 nan 8.240 nan 0.000 0.444 114 A N 0.879 123.452 122.820 -0.412 0.000 1.873 114 A HA -0.011 4.358 4.320 0.083 0.000 0.215 114 A C 2.575 179.994 177.584 -0.274 0.000 1.186 114 A CA 1.195 52.803 52.037 -0.715 0.000 0.616 114 A CB -1.020 17.307 19.000 -1.123 0.000 0.823 114 A HN 0.330 nan 8.150 nan 0.000 0.442 115 V N -0.140 119.620 119.914 -0.257 0.000 2.392 115 V HA -0.280 3.889 4.120 0.083 0.000 0.249 115 V C 2.010 177.881 176.094 -0.372 0.000 1.059 115 V CA 2.425 64.535 62.300 -0.318 0.000 1.051 115 V CB -1.040 30.522 31.823 -0.435 0.000 0.658 115 V HN 0.776 nan 8.190 nan 0.000 0.455 116 H N -1.754 117.299 119.070 -0.029 0.000 2.551 116 H HA 0.178 4.785 4.556 0.084 0.000 0.271 116 H C 0.628 175.975 175.328 0.031 0.000 0.984 116 H CA -0.286 55.761 56.048 -0.002 0.000 1.164 116 H CB 0.009 29.766 29.762 -0.008 0.000 1.437 116 H HN 0.264 nan 8.280 nan 0.000 0.550 117 D N 2.909 123.389 120.400 0.132 0.000 2.402 117 D HA -0.051 4.638 4.640 0.083 0.000 0.268 117 D C -1.353 175.019 176.300 0.120 0.000 1.294 117 D CA -1.413 52.692 54.000 0.175 0.000 0.945 117 D CB 1.042 42.021 40.800 0.298 0.000 1.112 117 D HN 0.240 nan 8.370 nan 0.000 0.517 118 P HA -0.016 nan 4.420 nan 0.000 0.245 118 P C 0.947 178.243 177.300 -0.008 0.000 1.206 118 P CA 0.314 63.438 63.100 0.040 0.000 0.781 118 P CB 0.605 32.326 31.700 0.035 0.000 0.994 119 T N -1.093 113.427 114.554 -0.056 0.000 2.925 119 T HA 0.001 4.401 4.350 0.083 0.000 0.245 119 T C 1.673 176.201 174.700 -0.287 0.000 1.025 119 T CA 0.983 62.951 62.100 -0.220 0.000 1.149 119 T CB -0.514 68.128 68.868 -0.377 0.000 0.866 119 T HN 0.238 nan 8.240 nan 0.000 0.437 120 H N 1.265 120.387 119.070 0.088 0.000 2.497 120 H HA 0.237 4.843 4.556 0.083 0.000 0.282 120 H C 0.518 175.896 175.328 0.083 0.000 1.003 120 H CA 0.502 56.605 56.048 0.091 0.000 1.307 120 H CB 0.032 29.875 29.762 0.134 0.000 1.437 120 H HN 0.337 nan 8.280 nan 0.000 0.544 121 K N 1.148 121.642 120.400 0.157 0.000 3.490 121 K HA -0.116 4.253 4.320 0.083 0.000 0.273 121 K C -2.533 174.121 176.600 0.091 0.000 0.916 121 K CA 0.029 56.373 56.287 0.096 0.000 0.718 121 K CB -0.984 31.549 32.500 0.054 0.000 1.477 121 K HN 0.403 nan 8.250 nan 0.000 0.452 122 P HA -0.025 nan 4.420 nan 0.000 0.271 122 P C 0.413 177.732 177.300 0.032 0.000 1.216 122 P CA 0.043 63.191 63.100 0.080 0.000 0.776 122 P CB 1.452 33.209 31.700 0.095 0.000 0.881 123 S N 1.759 117.475 115.700 0.027 0.000 2.535 123 S HA 0.228 4.747 4.470 0.083 0.000 0.214 123 S C 0.690 175.294 174.600 0.007 0.000 0.980 123 S CA -0.092 58.114 58.200 0.011 0.000 0.907 123 S CB -0.270 62.936 63.200 0.011 0.000 0.790 123 S HN 0.407 nan 8.310 nan 0.000 0.510 124 I N 1.043 121.622 120.570 0.015 0.000 2.722 124 I HA 0.486 4.705 4.170 0.083 0.000 0.295 124 I C -1.474 174.654 176.117 0.019 0.000 1.161 124 I CA -0.998 60.311 61.300 0.016 0.000 1.032 124 I CB 2.648 40.663 38.000 0.025 0.000 1.244 124 I HN -0.147 nan 8.210 nan 0.000 0.421 125 V N 3.585 123.507 119.914 0.013 0.000 2.483 125 V HA 0.436 4.606 4.120 0.083 0.000 0.297 125 V C -0.364 175.752 176.094 0.036 0.000 1.027 125 V CA -0.518 61.792 62.300 0.017 0.000 0.855 125 V CB 1.864 33.688 31.823 0.000 0.000 0.995 125 V HN 0.748 nan 8.190 nan 0.000 0.424 126 S N 5.823 121.557 115.700 0.058 0.000 2.437 126 S HA 0.777 5.296 4.470 0.083 0.000 0.305 126 S C -0.777 173.890 174.600 0.111 0.000 1.109 126 S CA -0.447 57.794 58.200 0.068 0.000 1.099 126 S CB 0.477 63.712 63.200 0.058 0.000 1.004 126 S HN 0.553 nan 8.310 nan 0.000 0.475 127 I N 3.867 124.515 120.570 0.130 0.000 2.436 127 I HA 0.349 4.569 4.170 0.083 0.000 0.289 127 I C 0.103 176.348 176.117 0.213 0.000 1.010 127 I CA -0.416 61.024 61.300 0.233 0.000 1.098 127 I CB 2.321 40.485 38.000 0.273 0.000 1.266 127 I HN 0.551 nan 8.210 nan 0.000 0.434 128 S N 4.259 120.119 115.700 0.267 0.000 2.843 128 S HA 0.277 4.797 4.470 0.083 0.000 0.249 128 S C -0.981 173.618 174.600 -0.003 0.000 1.047 128 S CA -0.496 57.759 58.200 0.092 0.000 1.042 128 S CB 0.065 63.237 63.200 -0.046 0.000 0.936 128 S HN 0.491 nan 8.310 nan 0.000 0.531 129 W N 0.228 121.605 121.300 0.130 0.000 2.864 129 W HA 0.777 5.478 4.660 0.069 0.000 0.343 129 W C 0.456 177.189 176.519 0.357 0.000 1.109 129 W CA -0.378 57.041 57.345 0.123 0.000 1.192 129 W CB 1.383 30.768 29.460 -0.125 0.000 1.426 129 W HN 0.191 nan 8.180 nan 0.000 0.529 130 G N -0.353 108.832 108.800 0.641 0.000 2.428 130 G HA2 0.608 4.617 3.960 0.083 0.000 0.305 130 G HA3 0.608 4.617 3.960 0.083 0.000 0.305 130 G C -1.067 174.232 174.900 0.665 0.000 1.260 130 G CA 0.035 45.618 45.100 0.805 0.000 0.853 130 G HN 1.078 nan 8.290 nan 0.000 0.480 131 G N -1.275 107.992 108.800 0.779 0.000 2.547 131 G HA2 0.627 4.636 3.960 0.083 0.000 0.291 131 G HA3 0.627 4.636 3.960 0.083 0.000 0.291 131 G C -3.501 171.792 174.900 0.654 0.000 1.471 131 G CA -0.756 44.651 45.100 0.510 0.000 0.798 131 G HN 0.490 nan 8.290 nan 0.000 0.504 132 P HA 0.073 nan 4.420 nan 0.000 0.261 132 P C 1.023 178.646 177.300 0.538 0.000 1.183 132 P CA 0.280 63.592 63.100 0.353 0.000 0.761 132 P CB 0.631 32.400 31.700 0.116 0.000 0.785 133 E N 2.684 123.179 120.200 0.491 0.000 2.160 133 E HA -0.265 4.134 4.350 0.083 0.000 0.195 133 E C 0.305 177.076 176.600 0.285 0.000 0.991 133 E CA 1.697 58.339 56.400 0.403 0.000 0.810 133 E CB -0.560 29.340 29.700 0.334 0.000 0.742 133 E HN 0.465 nan 8.360 nan 0.000 0.466 134 D N 0.889 121.442 120.400 0.256 0.000 2.339 134 D HA -0.051 4.638 4.640 0.083 0.000 0.217 134 D C 1.391 177.774 176.300 0.138 0.000 1.050 134 D CA 0.648 54.749 54.000 0.168 0.000 0.856 134 D CB 0.407 41.320 40.800 0.188 0.000 0.922 134 D HN 0.262 nan 8.370 nan 0.000 0.518 135 S N -1.705 114.104 115.700 0.182 0.000 2.524 135 S HA 0.144 4.664 4.470 0.083 0.000 0.215 135 S C -0.025 174.628 174.600 0.088 0.000 0.986 135 S CA -0.852 57.394 58.200 0.076 0.000 0.911 135 S CB -0.359 62.840 63.200 -0.002 0.000 0.805 135 S HN 0.174 nan 8.310 nan 0.000 0.501 136 W N 2.091 123.403 121.300 0.018 0.000 2.381 136 W HA 0.742 5.449 4.660 0.079 0.000 0.329 136 W C 0.479 176.978 176.519 -0.033 0.000 1.157 136 W CA -0.803 56.545 57.345 0.006 0.000 1.240 136 W CB 0.824 30.267 29.460 -0.028 0.000 1.199 136 W HN 0.181 nan 8.180 nan 0.000 0.579 137 A N 4.491 127.447 122.820 0.226 0.000 2.520 137 A HA 0.148 4.517 4.320 0.083 0.000 0.245 137 A C -1.543 176.085 177.584 0.072 0.000 1.072 137 A CA -0.647 51.458 52.037 0.114 0.000 0.761 137 A CB -0.092 18.967 19.000 0.098 0.000 1.004 137 A HN 0.561 nan 8.150 nan 0.000 0.499 138 P HA -0.186 nan 4.420 nan 0.000 0.218 138 P C 1.547 178.817 177.300 -0.050 0.000 1.148 138 P CA 2.096 65.170 63.100 -0.044 0.000 0.822 138 P CB 0.213 31.888 31.700 -0.042 0.000 0.784 139 A N -1.037 121.775 122.820 -0.014 0.000 1.968 139 A HA -0.137 4.233 4.320 0.083 0.000 0.217 139 A C 2.463 180.036 177.584 -0.018 0.000 1.169 139 A CA 1.897 53.925 52.037 -0.014 0.000 0.638 139 A CB -1.455 17.547 19.000 0.004 0.000 0.812 139 A HN 0.185 nan 8.150 nan 0.000 0.446 140 S N -0.474 115.233 115.700 0.011 0.000 2.371 140 S HA -0.082 4.438 4.470 0.083 0.000 0.224 140 S C 1.912 176.435 174.600 -0.128 0.000 1.029 140 S CA 1.149 59.365 58.200 0.027 0.000 0.978 140 S CB -0.374 62.953 63.200 0.213 0.000 0.833 140 S HN 0.378 nan 8.310 nan 0.000 0.466 141 I N 2.198 122.615 120.570 -0.254 0.000 2.226 141 I HA -0.129 4.090 4.170 0.083 0.000 0.245 141 I C 2.810 178.797 176.117 -0.216 0.000 1.100 141 I CA 1.456 62.422 61.300 -0.556 0.000 1.374 141 I CB -1.853 35.803 38.000 -0.574 0.000 1.057 141 I HN 0.366 nan 8.210 nan 0.000 0.413 142 A N 0.802 123.554 122.820 -0.114 0.000 1.877 142 A HA -0.106 4.263 4.320 0.083 0.000 0.216 142 A C 2.581 180.151 177.584 -0.025 0.000 1.186 142 A CA 2.018 54.040 52.037 -0.025 0.000 0.620 142 A CB -0.803 18.179 19.000 -0.030 0.000 0.822 142 A HN 0.413 nan 8.150 nan 0.000 0.443 143 A N -0.456 122.329 122.820 -0.057 0.000 1.877 143 A HA -0.118 4.251 4.320 0.083 0.000 0.216 143 A C 2.277 179.775 177.584 -0.144 0.000 1.186 143 A CA 1.854 53.846 52.037 -0.076 0.000 0.620 143 A CB -0.546 18.419 19.000 -0.058 0.000 0.822 143 A HN 0.504 nan 8.150 nan 0.000 0.443 144 M N -0.397 119.098 119.600 -0.175 0.000 2.117 144 M HA -0.154 4.376 4.480 0.083 0.000 0.262 144 M C 2.195 178.226 176.300 -0.448 0.000 1.065 144 M CA 1.673 56.745 55.300 -0.380 0.000 1.114 144 M CB -1.035 31.421 32.600 -0.240 0.000 1.361 144 M HN 0.658 nan 8.290 nan 0.000 0.408 145 N N 0.652 119.379 118.700 0.046 0.000 2.120 145 N HA -0.208 4.582 4.740 0.083 0.000 0.188 145 N C 1.861 177.404 175.510 0.055 0.000 1.024 145 N CA 1.316 54.520 53.050 0.257 0.000 0.852 145 N CB 0.047 38.794 38.487 0.434 0.000 1.003 145 N HN 0.149 nan 8.380 nan 0.000 0.424 146 R N 1.018 121.496 120.500 -0.037 0.000 2.092 146 R HA 0.046 4.435 4.340 0.083 0.000 0.231 146 R C 2.115 178.312 176.300 -0.172 0.000 1.119 146 R CA 1.525 57.569 56.100 -0.093 0.000 0.970 146 R CB -0.750 29.512 30.300 -0.065 0.000 0.864 146 R HN 0.285 nan 8.270 nan 0.000 0.440 147 A N -0.347 122.325 122.820 -0.247 0.000 1.933 147 A HA -0.115 4.254 4.320 0.083 0.000 0.218 147 A C 1.855 179.298 177.584 -0.235 0.000 1.175 147 A CA 1.433 53.307 52.037 -0.272 0.000 0.628 147 A CB -0.712 18.044 19.000 -0.406 0.000 0.814 147 A HN 0.356 nan 8.150 nan 0.000 0.444 148 F N -0.470 119.382 119.950 -0.163 0.000 2.259 148 F HA -0.020 4.580 4.527 0.122 0.000 0.298 148 F C 2.034 177.585 175.800 -0.416 0.000 1.088 148 F CA 0.595 58.471 58.000 -0.208 0.000 1.358 148 F CB -0.873 38.056 39.000 -0.118 0.000 1.040 148 F HN 0.245 nan 8.300 nan 0.000 0.505 149 L N -0.102 120.841 121.223 -0.467 0.000 2.046 149 L HA -0.218 4.172 4.340 0.083 0.000 0.208 149 L C 2.035 178.599 176.870 -0.510 0.000 1.077 149 L CA 1.667 55.877 54.840 -1.050 0.000 0.747 149 L CB -0.458 41.067 42.059 -0.889 0.000 0.896 149 L HN -0.031 nan 8.230 nan 0.000 0.432 150 D N 0.347 120.579 120.400 -0.279 0.000 2.117 150 D HA -0.182 4.508 4.640 0.083 0.000 0.197 150 D C 2.235 178.446 176.300 -0.148 0.000 0.987 150 D CA 1.490 55.400 54.000 -0.150 0.000 0.829 150 D CB -0.149 40.627 40.800 -0.041 0.000 0.961 150 D HN 0.533 nan 8.370 nan 0.000 0.460 151 A N 1.090 123.815 122.820 -0.158 0.000 1.902 151 A HA -0.082 4.287 4.320 0.083 0.000 0.217 151 A C 2.331 179.843 177.584 -0.121 0.000 1.181 151 A CA 2.321 54.276 52.037 -0.136 0.000 0.623 151 A CB -0.724 18.236 19.000 -0.067 0.000 0.818 151 A HN 0.243 nan 8.150 nan 0.000 0.443 152 A N -0.178 122.532 122.820 -0.184 0.000 1.902 152 A HA 0.160 4.530 4.320 0.083 0.000 0.217 152 A C 2.482 180.022 177.584 -0.073 0.000 1.181 152 A CA 2.059 53.998 52.037 -0.164 0.000 0.623 152 A CB -0.989 17.762 19.000 -0.415 0.000 0.818 152 A HN 1.104 nan 8.150 nan 0.000 0.443 153 A N -0.643 122.112 122.820 -0.109 0.000 2.015 153 A HA 0.064 4.433 4.320 0.083 0.000 0.219 153 A C 1.962 179.529 177.584 -0.027 0.000 1.163 153 A CA 1.306 53.313 52.037 -0.050 0.000 0.646 153 A CB -0.449 18.513 19.000 -0.062 0.000 0.806 153 A HN 0.467 nan 8.150 nan 0.000 0.448 154 L N -1.424 119.773 121.223 -0.044 0.000 2.558 154 L HA 0.199 4.589 4.340 0.083 0.000 0.225 154 L C 1.528 178.385 176.870 -0.022 0.000 1.128 154 L CA 0.525 55.346 54.840 -0.033 0.000 0.868 154 L CB -0.074 41.948 42.059 -0.061 0.000 1.006 154 L HN 0.565 nan 8.230 nan 0.000 0.454 155 G N 0.529 109.322 108.800 -0.012 0.000 2.149 155 G HA2 -0.218 3.792 3.960 0.083 0.000 0.235 155 G HA3 -0.218 3.792 3.960 0.083 0.000 0.235 155 G C -0.102 174.796 174.900 -0.004 0.000 1.018 155 G CA -0.060 45.042 45.100 0.003 0.000 0.728 155 G HN 0.093 nan 8.290 nan 0.000 0.508 156 V N 1.224 121.126 119.914 -0.019 0.000 2.370 156 V HA 0.568 4.737 4.120 0.083 0.000 0.283 156 V C 0.776 176.866 176.094 -0.006 0.000 1.023 156 V CA -0.200 62.086 62.300 -0.023 0.000 0.857 156 V CB 1.682 33.470 31.823 -0.058 0.000 0.985 156 V HN 0.335 nan 8.190 nan 0.000 0.443 157 T N 4.851 119.409 114.554 0.005 0.000 2.832 157 T HA 0.468 4.867 4.350 0.083 0.000 0.296 157 T C -0.171 174.528 174.700 -0.002 0.000 0.968 157 T CA -0.198 61.911 62.100 0.017 0.000 1.107 157 T CB 1.182 70.059 68.868 0.014 0.000 0.916 157 T HN 0.377 nan 8.240 nan 0.000 0.517 158 V N 5.034 124.933 119.914 -0.024 0.000 2.444 158 V HA 0.470 4.640 4.120 0.083 0.000 0.294 158 V C -0.589 175.449 176.094 -0.095 0.000 1.022 158 V CA -0.857 61.399 62.300 -0.074 0.000 0.850 158 V CB 1.257 32.985 31.823 -0.158 0.000 0.992 158 V HN 0.636 nan 8.190 nan 0.000 0.426 159 L N 4.035 125.230 121.223 -0.047 0.000 2.346 159 L HA 0.974 5.364 4.340 0.083 0.000 0.274 159 L C 0.116 176.972 176.870 -0.024 0.000 1.007 159 L CA -0.318 54.514 54.840 -0.013 0.000 0.818 159 L CB 1.998 44.093 42.059 0.060 0.000 1.284 159 L HN 0.773 nan 8.230 nan 0.000 0.424 160 A N 1.552 124.360 122.820 -0.020 0.000 2.488 160 A HA 0.870 5.240 4.320 0.083 0.000 0.298 160 A C -0.585 177.032 177.584 0.054 0.000 1.044 160 A CA -0.486 51.556 52.037 0.008 0.000 0.693 160 A CB 1.335 20.286 19.000 -0.081 0.000 1.272 160 A HN 0.820 nan 8.150 nan 0.000 0.402 161 A N 1.028 123.898 122.820 0.083 0.000 2.511 161 A HA 0.492 4.862 4.320 0.083 0.000 0.242 161 A C 1.290 178.950 177.584 0.126 0.000 1.069 161 A CA 0.448 52.543 52.037 0.096 0.000 0.763 161 A CB 0.037 19.085 19.000 0.080 0.000 1.001 161 A HN 2.163 nan 8.150 nan 0.000 0.498 162 A N 2.045 124.950 122.820 0.143 0.000 2.208 162 A HA 0.497 4.867 4.320 0.083 0.000 0.209 162 A C 1.316 179.010 177.584 0.184 0.000 1.161 162 A CA 1.231 53.363 52.037 0.159 0.000 0.782 162 A CB -0.845 18.248 19.000 0.155 0.000 0.816 162 A HN 2.789 nan 8.150 nan 0.000 0.477 163 G N -1.406 107.507 108.800 0.189 0.000 2.459 163 G HA2 0.152 4.161 3.960 0.083 0.000 0.685 163 G HA3 0.152 4.161 3.960 0.083 0.000 0.685 163 G C -0.933 174.086 174.900 0.198 0.000 1.303 163 G CA -0.102 45.111 45.100 0.188 0.000 0.907 163 G HN 0.016 nan 8.290 nan 0.000 0.632 164 D N -0.300 120.199 120.400 0.164 0.000 2.535 164 D HA 0.351 5.040 4.640 0.083 0.000 0.229 164 D C 1.066 177.332 176.300 -0.056 0.000 1.238 164 D CA 0.500 54.588 54.000 0.146 0.000 0.824 164 D CB 0.849 41.829 40.800 0.300 0.000 1.045 164 D HN 0.296 nan 8.370 nan 0.000 0.500 165 S N 0.243 115.930 115.700 -0.022 0.000 2.668 165 S HA 0.513 5.032 4.470 0.083 0.000 0.244 165 S C 0.866 175.448 174.600 -0.029 0.000 1.140 165 S CA -0.191 57.985 58.200 -0.040 0.000 1.134 165 S CB 1.039 64.252 63.200 0.022 0.000 0.954 165 S HN 0.433 nan 8.310 nan 0.000 0.490 166 G N 2.764 111.514 108.800 -0.083 0.000 2.598 166 G HA2 -0.339 3.671 3.960 0.083 0.000 0.269 166 G HA3 -0.339 3.671 3.960 0.083 0.000 0.269 166 G C 0.943 175.903 174.900 0.099 0.000 1.289 166 G CA 0.197 45.283 45.100 -0.023 0.000 0.926 166 G HN 0.989 nan 8.290 nan 0.000 0.567 167 S N -1.406 114.384 115.700 0.151 0.000 2.555 167 S HA 0.064 4.583 4.470 0.083 0.000 0.230 167 S C 1.924 176.728 174.600 0.340 0.000 0.978 167 S CA 1.979 60.347 58.200 0.280 0.000 0.934 167 S CB -0.307 63.049 63.200 0.260 0.000 0.766 167 S HN 1.838 nan 8.310 nan 0.000 0.533 168 T N -2.274 112.413 114.554 0.222 0.000 3.040 168 T HA 0.206 4.606 4.350 0.083 0.000 0.250 168 T C 0.329 175.176 174.700 0.245 0.000 1.058 168 T CA 0.267 62.483 62.100 0.193 0.000 0.988 168 T CB -0.455 68.438 68.868 0.042 0.000 0.993 168 T HN 0.263 nan 8.240 nan 0.000 0.519 169 D N 1.707 122.223 120.400 0.193 0.000 2.737 169 D HA -0.159 4.531 4.640 0.083 0.000 0.233 169 D C 1.299 177.661 176.300 0.103 0.000 1.155 169 D CA 1.472 55.572 54.000 0.165 0.000 0.667 169 D CB -1.600 39.338 40.800 0.232 0.000 1.060 169 D HN 0.866 nan 8.370 nan 0.000 0.427 170 G N -0.797 108.045 108.800 0.069 0.000 2.184 170 G HA2 -0.333 3.676 3.960 0.083 0.000 0.264 170 G HA3 -0.333 3.676 3.960 0.083 0.000 0.264 170 G C 0.115 175.020 174.900 0.008 0.000 0.975 170 G CA 0.526 45.646 45.100 0.033 0.000 0.642 170 G HN 0.558 nan 8.290 nan 0.000 0.536 171 E N -0.143 120.060 120.200 0.004 0.000 2.242 171 E HA 0.484 4.884 4.350 0.083 0.000 0.275 171 E C 0.124 176.728 176.600 0.006 0.000 1.002 171 E CA -0.472 55.899 56.400 -0.047 0.000 0.841 171 E CB 0.820 30.368 29.700 -0.252 0.000 1.109 171 E HN 0.418 nan 8.360 nan 0.000 0.394 172 Q N 1.810 121.606 119.800 -0.007 0.000 2.354 172 Q HA 0.057 4.447 4.340 0.083 0.000 0.372 172 Q C -0.532 175.469 176.000 0.002 0.000 0.923 172 Q CA -0.099 55.701 55.803 -0.006 0.000 1.123 172 Q CB 0.354 29.084 28.738 -0.012 0.000 1.298 172 Q HN 0.472 nan 8.270 nan 0.000 0.419 173 D N -1.232 119.190 120.400 0.036 0.000 2.424 173 D HA 0.100 4.789 4.640 0.083 0.000 0.220 173 D C 1.080 177.390 176.300 0.016 0.000 1.150 173 D CA 0.213 54.238 54.000 0.041 0.000 0.831 173 D CB 0.585 41.432 40.800 0.079 0.000 0.981 173 D HN 0.396 nan 8.370 nan 0.000 0.500 174 G N 0.719 109.495 108.800 -0.039 0.000 2.184 174 G HA2 -0.284 3.726 3.960 0.083 0.000 0.264 174 G HA3 -0.284 3.726 3.960 0.083 0.000 0.264 174 G C 0.126 174.902 174.900 -0.207 0.000 0.975 174 G CA 0.592 45.625 45.100 -0.112 0.000 0.642 174 G HN 0.419 nan 8.290 nan 0.000 0.536 175 L N -0.771 120.347 121.223 -0.175 0.000 2.332 175 L HA 0.683 5.072 4.340 0.083 0.000 0.269 175 L C 0.362 176.864 176.870 -0.613 0.000 1.016 175 L CA -1.510 53.135 54.840 -0.324 0.000 0.809 175 L CB 1.101 43.022 42.059 -0.230 0.000 1.280 175 L HN 0.072 nan 8.230 nan 0.000 0.447 176 Y N -0.015 120.066 120.300 -0.365 0.000 2.320 176 Y HA 0.402 4.997 4.550 0.076 0.000 0.324 176 Y C 0.126 175.729 175.900 -0.495 0.000 1.190 176 Y CA -0.272 57.669 58.100 -0.265 0.000 1.215 176 Y CB 0.948 39.345 38.460 -0.106 0.000 1.221 176 Y HN 0.345 nan 8.280 nan 0.000 0.486 177 H N 1.045 120.277 119.070 0.270 0.000 2.894 177 H HA 0.524 5.125 4.556 0.074 0.000 0.367 177 H C -1.036 174.444 175.328 0.253 0.000 1.144 177 H CA -0.943 55.243 56.048 0.229 0.000 1.180 177 H CB 1.746 31.611 29.762 0.171 0.000 1.758 177 H HN 0.520 nan 8.280 nan 0.000 0.541 178 V N -0.514 119.616 119.914 0.361 0.000 2.850 178 V HA 0.438 4.607 4.120 0.083 0.000 0.315 178 V C 0.021 176.322 176.094 0.345 0.000 1.064 178 V CA -0.892 61.598 62.300 0.317 0.000 0.979 178 V CB 2.041 34.028 31.823 0.273 0.000 1.039 178 V HN 0.683 nan 8.190 nan 0.000 0.452 179 D N 0.610 121.203 120.400 0.321 0.000 2.253 179 D HA 0.544 5.233 4.640 0.083 0.000 0.249 179 D C -1.243 175.296 176.300 0.398 0.000 1.049 179 D CA -0.240 53.983 54.000 0.371 0.000 0.929 179 D CB 1.450 42.439 40.800 0.316 0.000 1.176 179 D HN 0.609 nan 8.370 nan 0.000 0.437 180 F N 3.059 123.195 119.950 0.310 0.000 2.522 180 F HA 0.441 5.045 4.527 0.129 0.000 0.324 180 F C -1.742 174.190 175.800 0.220 0.000 1.077 180 F CA -2.335 55.745 58.000 0.134 0.000 0.944 180 F CB 2.173 41.081 39.000 -0.154 0.000 1.175 180 F HN 0.247 nan 8.300 nan 0.000 0.468 181 P HA -0.047 nan 4.420 nan 0.000 0.237 181 P C 0.850 177.732 177.300 -0.697 0.000 1.178 181 P CA 1.164 63.482 63.100 -1.305 0.000 0.766 181 P CB -0.076 31.086 31.700 -0.896 0.000 0.876 182 A N 1.239 123.920 122.820 -0.232 0.000 1.986 182 A HA -0.111 4.258 4.320 0.083 0.000 0.220 182 A C 2.414 179.959 177.584 -0.065 0.000 1.171 182 A CA 1.945 53.919 52.037 -0.107 0.000 0.640 182 A CB -1.421 17.609 19.000 0.050 0.000 0.811 182 A HN 0.270 nan 8.150 nan 0.000 0.451 183 A N -0.539 122.311 122.820 0.050 0.000 2.121 183 A HA 0.154 4.523 4.320 0.083 0.000 0.218 183 A C 1.601 179.104 177.584 -0.134 0.000 1.154 183 A CA 0.981 53.117 52.037 0.165 0.000 0.679 183 A CB -0.720 18.571 19.000 0.484 0.000 0.795 183 A HN 0.587 nan 8.150 nan 0.000 0.458 184 S N 0.651 116.145 115.700 -0.342 0.000 2.552 184 S HA 0.169 4.688 4.470 0.083 0.000 0.289 184 S C -0.978 173.351 174.600 -0.452 0.000 1.304 184 S CA -0.649 57.166 58.200 -0.641 0.000 1.063 184 S CB 0.731 63.730 63.200 -0.336 0.000 0.848 184 S HN 0.321 nan 8.310 nan 0.000 0.499 185 P HA -0.019 nan 4.420 nan 0.000 0.233 185 P C 0.235 177.420 177.300 -0.192 0.000 1.167 185 P CA 0.892 63.858 63.100 -0.223 0.000 0.770 185 P CB -0.115 31.412 31.700 -0.290 0.000 0.837 186 Y N -0.703 119.535 120.300 -0.103 0.000 2.466 186 Y HA 0.114 4.712 4.550 0.080 0.000 0.272 186 Y C 1.249 176.989 175.900 -0.267 0.000 1.169 186 Y CA -0.249 57.675 58.100 -0.293 0.000 1.285 186 Y CB 0.349 38.616 38.460 -0.321 0.000 1.078 186 Y HN -0.276 nan 8.280 nan 0.000 0.523 187 V N 1.191 120.999 119.914 -0.177 0.000 2.630 187 V HA 0.180 4.350 4.120 0.083 0.000 0.305 187 V C -0.512 175.536 176.094 -0.077 0.000 1.046 187 V CA -1.185 60.952 62.300 -0.272 0.000 0.934 187 V CB 2.089 33.568 31.823 -0.574 0.000 1.003 187 V HN -0.072 nan 8.190 nan 0.000 0.451 188 L N 4.761 125.956 121.223 -0.046 0.000 2.312 188 L HA 0.601 4.991 4.340 0.083 0.000 0.287 188 L C 0.598 177.491 176.870 0.039 0.000 1.091 188 L CA 0.030 54.887 54.840 0.028 0.000 0.846 188 L CB 0.109 42.190 42.059 0.036 0.000 1.219 188 L HN 0.760 nan 8.230 nan 0.000 0.439 189 A N 4.921 127.785 122.820 0.074 0.000 2.409 189 A HA 0.412 4.781 4.320 0.083 0.000 0.267 189 A C -0.159 177.506 177.584 0.136 0.000 1.127 189 A CA -0.320 51.770 52.037 0.088 0.000 0.795 189 A CB -0.249 18.822 19.000 0.118 0.000 1.061 189 A HN 0.805 nan 8.150 nan 0.000 0.502 190 C N 3.484 122.866 119.300 0.137 0.000 2.271 190 C HA 0.667 5.177 4.460 0.083 0.000 0.323 190 C C 1.240 176.326 174.990 0.161 0.000 1.245 190 C CA -0.450 58.677 59.018 0.181 0.000 1.548 190 C CB 0.129 27.979 27.740 0.183 0.000 2.214 190 C HN 1.065 nan 8.230 nan 0.000 0.477 191 G N 1.974 110.872 108.800 0.165 0.000 2.537 191 G HA2 0.704 4.713 3.960 0.083 0.000 0.297 191 G HA3 0.704 4.713 3.960 0.083 0.000 0.297 191 G C -0.175 174.841 174.900 0.195 0.000 1.310 191 G CA -0.310 44.888 45.100 0.164 0.000 1.027 191 G HN 1.007 nan 8.290 nan 0.000 0.505 192 G N -1.381 107.570 108.800 0.252 0.000 2.571 192 G HA2 0.658 4.667 3.960 0.083 0.000 0.304 192 G HA3 0.658 4.667 3.960 0.083 0.000 0.304 192 G C -0.411 174.677 174.900 0.314 0.000 1.314 192 G CA 0.158 45.430 45.100 0.286 0.000 0.975 192 G HN 0.988 nan 8.290 nan 0.000 0.485 193 T N -1.752 112.947 114.554 0.241 0.000 2.907 193 T HA 0.702 5.102 4.350 0.083 0.000 0.290 193 T C -0.362 174.443 174.700 0.175 0.000 1.066 193 T CA -0.953 61.285 62.100 0.230 0.000 1.012 193 T CB 2.227 71.218 68.868 0.205 0.000 1.184 193 T HN 0.639 nan 8.240 nan 0.000 0.522 194 R N 1.017 121.622 120.500 0.176 0.000 2.246 194 R HA 0.610 5.000 4.340 0.083 0.000 0.332 194 R C -1.385 174.979 176.300 0.107 0.000 0.974 194 R CA -0.848 55.325 56.100 0.122 0.000 0.837 194 R CB 0.551 30.942 30.300 0.151 0.000 1.145 194 R HN 0.622 nan 8.270 nan 0.000 0.467 195 L N 5.318 126.588 121.223 0.077 0.000 2.295 195 L HA 0.426 4.815 4.340 0.083 0.000 0.285 195 L C -1.294 175.647 176.870 0.118 0.000 1.035 195 L CA -0.439 54.432 54.840 0.053 0.000 0.806 195 L CB 1.969 43.967 42.059 -0.102 0.000 1.214 195 L HN 0.429 nan 8.230 nan 0.000 0.426 196 V N 5.657 125.623 119.914 0.086 0.000 2.349 196 V HA 0.895 5.065 4.120 0.083 0.000 0.284 196 V C -0.031 176.098 176.094 0.059 0.000 1.014 196 V CA 0.040 62.407 62.300 0.112 0.000 0.826 196 V CB 0.587 32.449 31.823 0.065 0.000 1.009 196 V HN 0.994 nan 8.190 nan 0.000 0.431 197 A N 3.988 126.865 122.820 0.095 0.000 2.594 197 A HA 1.012 5.381 4.320 0.083 0.000 0.291 197 A C -0.329 177.280 177.584 0.041 0.000 1.105 197 A CA -0.301 51.725 52.037 -0.019 0.000 0.694 197 A CB 2.221 21.101 19.000 -0.201 0.000 1.291 197 A HN 0.860 nan 8.150 nan 0.000 0.410 198 S N -0.669 115.020 115.700 -0.018 0.000 2.745 198 S HA 0.726 5.245 4.470 0.083 0.000 0.306 198 S C 1.074 175.644 174.600 -0.050 0.000 1.137 198 S CA -0.020 58.176 58.200 -0.007 0.000 0.900 198 S CB 1.220 64.417 63.200 -0.004 0.000 1.176 198 S HN 2.038 nan 8.310 nan 0.000 0.520 199 A N 0.358 123.154 122.820 -0.040 0.000 1.978 199 A HA 0.172 4.542 4.320 0.083 0.000 0.220 199 A C 1.865 179.423 177.584 -0.044 0.000 1.170 199 A CA 1.767 53.773 52.037 -0.052 0.000 0.636 199 A CB -1.491 17.487 19.000 -0.037 0.000 0.810 199 A HN 1.171 nan 8.150 nan 0.000 0.448 200 G N -1.204 107.578 108.800 -0.030 0.000 2.887 200 G HA2 0.360 4.369 3.960 0.083 0.000 0.211 200 G HA3 0.360 4.369 3.960 0.083 0.000 0.211 200 G C 0.569 175.456 174.900 -0.020 0.000 1.152 200 G CA 0.394 45.482 45.100 -0.021 0.000 0.769 200 G HN 0.801 nan 8.290 nan 0.000 0.541 201 R N -1.160 119.321 120.500 -0.031 0.000 2.712 201 R HA 0.529 4.918 4.340 0.083 0.000 0.272 201 R C -1.858 174.408 176.300 -0.056 0.000 1.032 201 R CA -0.977 55.104 56.100 -0.032 0.000 0.874 201 R CB 0.564 30.856 30.300 -0.013 0.000 1.256 201 R HN -0.066 nan 8.270 nan 0.000 0.468 202 I N 2.310 122.834 120.570 -0.077 0.000 2.312 202 I HA 0.174 4.393 4.170 0.083 0.000 0.290 202 I C 0.302 176.390 176.117 -0.047 0.000 1.008 202 I CA -0.488 60.745 61.300 -0.110 0.000 1.226 202 I CB 1.881 39.724 38.000 -0.261 0.000 1.371 202 I HN 0.763 nan 8.210 nan 0.000 0.468 203 E N 4.328 124.519 120.200 -0.015 0.000 2.122 203 E HA 0.092 4.491 4.350 0.083 0.000 0.190 203 E C 0.419 177.044 176.600 0.042 0.000 0.977 203 E CA 0.768 57.178 56.400 0.017 0.000 0.820 203 E CB 0.335 30.047 29.700 0.019 0.000 0.770 203 E HN 0.426 nan 8.360 nan 0.000 0.462 204 R N -0.338 120.189 120.500 0.045 0.000 2.634 204 R HA 0.300 4.689 4.340 0.083 0.000 0.263 204 R C -1.802 174.557 176.300 0.097 0.000 1.060 204 R CA -0.373 55.776 56.100 0.082 0.000 0.898 204 R CB 1.397 31.739 30.300 0.070 0.000 1.253 204 R HN -0.028 nan 8.270 nan 0.000 0.461 205 E N 2.166 122.459 120.200 0.155 0.000 2.313 205 E HA 0.275 4.675 4.350 0.083 0.000 0.280 205 E C -1.580 175.121 176.600 0.168 0.000 0.898 205 E CA -0.455 56.051 56.400 0.177 0.000 0.803 205 E CB 1.671 31.518 29.700 0.245 0.000 1.286 205 E HN 0.706 nan 8.360 nan 0.000 0.401 206 T N -0.933 113.706 114.554 0.141 0.000 2.858 206 T HA 0.528 4.928 4.350 0.083 0.000 0.285 206 T C -0.036 174.747 174.700 0.139 0.000 1.052 206 T CA -0.763 61.409 62.100 0.120 0.000 1.009 206 T CB 1.124 70.053 68.868 0.102 0.000 1.241 206 T HN 0.128 nan 8.240 nan 0.000 0.542 207 V N 1.361 121.344 119.914 0.116 0.000 2.655 207 V HA 0.135 4.305 4.120 0.083 0.000 0.300 207 V C 0.031 176.253 176.094 0.213 0.000 1.044 207 V CA -0.505 61.877 62.300 0.135 0.000 1.095 207 V CB 0.047 31.914 31.823 0.073 0.000 0.952 207 V HN 0.847 nan 8.190 nan 0.000 0.485 208 W N 7.210 128.543 121.300 0.054 0.000 2.446 208 W HA 0.368 5.066 4.660 0.062 0.000 0.316 208 W C 0.031 176.580 176.519 0.050 0.000 1.376 208 W CA -0.617 56.761 57.345 0.055 0.000 1.300 208 W CB -0.081 29.418 29.460 0.064 0.000 1.351 208 W HN 0.626 nan 8.180 nan 0.000 0.530 209 N N 5.264 123.930 118.700 -0.056 0.000 2.629 209 N HA 0.082 4.871 4.740 0.083 0.000 0.277 209 N C -1.258 174.188 175.510 -0.107 0.000 1.188 209 N CA -0.186 52.712 53.050 -0.253 0.000 0.835 209 N CB 0.865 39.287 38.487 -0.108 0.000 1.420 209 N HN 0.369 nan 8.380 nan 0.000 0.542 210 D N 2.075 122.377 120.400 -0.164 0.000 2.559 210 D HA 0.326 5.015 4.640 0.083 0.000 0.234 210 D C 1.017 177.300 176.300 -0.028 0.000 1.226 210 D CA 0.400 54.411 54.000 0.018 0.000 0.830 210 D CB 0.215 41.126 40.800 0.185 0.000 1.028 210 D HN 0.886 nan 8.370 nan 0.000 0.492 211 G N 1.757 110.507 108.800 -0.083 0.000 2.796 211 G HA2 -0.251 3.758 3.960 0.083 0.000 0.226 211 G HA3 -0.251 3.758 3.960 0.083 0.000 0.226 211 G C -1.897 172.961 174.900 -0.071 0.000 1.381 211 G CA -0.688 44.375 45.100 -0.062 0.000 0.867 211 G HN 0.019 nan 8.290 nan 0.000 0.552 212 P HA -0.014 nan 4.420 nan 0.000 0.216 212 P C 1.178 178.467 177.300 -0.018 0.000 1.153 212 P CA 1.897 64.977 63.100 -0.034 0.000 0.858 212 P CB -0.003 31.686 31.700 -0.019 0.000 0.789 213 D N -1.458 118.940 120.400 -0.004 0.000 2.194 213 D HA -0.008 4.682 4.640 0.083 0.000 0.204 213 D C 2.113 178.437 176.300 0.041 0.000 0.964 213 D CA 1.427 55.437 54.000 0.017 0.000 0.846 213 D CB -0.948 39.864 40.800 0.019 0.000 0.962 213 D HN 0.188 nan 8.370 nan 0.000 0.490 214 G N -0.932 107.896 108.800 0.046 0.000 2.887 214 G HA2 0.425 4.435 3.960 0.083 0.000 0.211 214 G HA3 0.425 4.435 3.960 0.083 0.000 0.211 214 G C 0.734 175.738 174.900 0.174 0.000 1.152 214 G CA 0.354 45.527 45.100 0.122 0.000 0.769 214 G HN 0.554 nan 8.290 nan 0.000 0.541 215 G N -1.325 107.452 108.800 -0.039 0.000 2.690 215 G HA2 0.330 4.340 3.960 0.083 0.000 0.686 215 G HA3 0.330 4.340 3.960 0.083 0.000 0.686 215 G C -0.544 173.715 174.900 -1.068 0.000 1.277 215 G CA 0.052 44.973 45.100 -0.300 0.000 0.799 215 G HN 1.238 nan 8.290 nan 0.000 0.613 216 S N -1.277 113.604 115.700 -1.365 0.000 2.547 216 S HA 0.747 5.267 4.470 0.083 0.000 0.270 216 S C 0.084 174.171 174.600 -0.856 0.000 1.150 216 S CA 0.825 58.201 58.200 -1.373 0.000 0.850 216 S CB 1.812 64.666 63.200 -0.576 0.000 1.118 216 S HN 2.010 nan 8.310 nan 0.000 0.461 217 T N 2.131 116.480 114.554 -0.341 0.000 2.932 217 T HA 0.472 4.871 4.350 0.083 0.000 0.312 217 T C 0.857 175.588 174.700 0.052 0.000 1.071 217 T CA 0.556 62.707 62.100 0.085 0.000 1.128 217 T CB -0.198 68.815 68.868 0.241 0.000 0.984 217 T HN 0.883 nan 8.240 nan 0.000 0.549 218 G N 1.311 110.184 108.800 0.122 0.000 2.606 218 G HA2 0.583 4.593 3.960 0.083 0.000 0.252 218 G HA3 0.583 4.593 3.960 0.083 0.000 0.252 218 G C 0.144 175.126 174.900 0.137 0.000 1.206 218 G CA -0.102 45.080 45.100 0.138 0.000 0.861 218 G HN 1.190 nan 8.290 nan 0.000 0.561 219 G N -1.847 107.049 108.800 0.161 0.000 2.376 219 G HA2 0.696 4.705 3.960 0.083 0.000 0.302 219 G HA3 0.696 4.705 3.960 0.083 0.000 0.302 219 G C -0.293 174.700 174.900 0.155 0.000 1.586 219 G CA 0.405 45.577 45.100 0.120 0.000 0.907 219 G HN 2.101 nan 8.290 nan 0.000 0.655 220 G N -1.725 107.078 108.800 0.005 0.000 2.441 220 G HA2 0.572 4.582 3.960 0.083 0.000 0.222 220 G HA3 0.572 4.582 3.960 0.083 0.000 0.222 220 G C -1.753 173.047 174.900 -0.166 0.000 1.254 220 G CA 0.453 45.418 45.100 -0.225 0.000 0.959 220 G HN 1.693 nan 8.290 nan 0.000 0.474 221 V N 0.992 120.872 119.914 -0.056 0.000 2.483 221 V HA 0.647 4.816 4.120 0.083 0.000 0.297 221 V C 0.674 176.827 176.094 0.098 0.000 1.027 221 V CA -0.294 62.010 62.300 0.008 0.000 0.855 221 V CB 1.199 33.010 31.823 -0.020 0.000 0.995 221 V HN 1.045 nan 8.190 nan 0.000 0.424 222 S N 3.879 119.647 115.700 0.114 0.000 2.560 222 S HA 0.186 4.705 4.470 0.083 0.000 0.284 222 S C 1.115 175.773 174.600 0.097 0.000 1.327 222 S CA 0.038 58.334 58.200 0.160 0.000 1.055 222 S CB 0.348 63.698 63.200 0.250 0.000 0.868 222 S HN 0.725 nan 8.310 nan 0.000 0.506 223 R N 3.331 123.881 120.500 0.084 0.000 2.334 223 R HA 0.356 4.746 4.340 0.083 0.000 0.212 223 R C 1.200 177.477 176.300 -0.038 0.000 0.897 223 R CA 0.264 56.384 56.100 0.034 0.000 1.056 223 R CB 0.121 30.453 30.300 0.054 0.000 1.046 223 R HN 0.592 nan 8.270 nan 0.000 0.513 224 I N -0.679 119.833 120.570 -0.098 0.000 3.300 224 I HA 0.120 4.340 4.170 0.083 0.000 0.279 224 I C -0.092 175.733 176.117 -0.487 0.000 1.172 224 I CA 0.271 61.362 61.300 -0.349 0.000 1.431 224 I CB 0.486 38.147 38.000 -0.565 0.000 1.240 224 I HN -0.094 nan 8.210 nan 0.000 0.453 225 F N 2.341 122.299 119.950 0.014 0.000 2.415 225 F HA 0.403 4.982 4.527 0.087 0.000 0.348 225 F C -2.231 173.534 175.800 -0.058 0.000 1.119 225 F CA -2.649 55.345 58.000 -0.010 0.000 1.069 225 F CB 0.315 39.322 39.000 0.012 0.000 1.124 225 F HN -0.275 nan 8.300 nan 0.000 0.472 226 P HA -0.032 nan 4.420 nan 0.000 0.271 226 P C -0.583 176.655 177.300 -0.104 0.000 1.233 226 P CA -0.411 62.672 63.100 -0.029 0.000 0.789 226 P CB 0.595 32.271 31.700 -0.040 0.000 0.951 227 L N 3.935 125.052 121.223 -0.175 0.000 2.500 227 L HA 0.218 4.608 4.340 0.083 0.000 0.272 227 L C -2.243 174.371 176.870 -0.427 0.000 1.149 227 L CA -1.341 53.314 54.840 -0.308 0.000 0.897 227 L CB -0.787 41.102 42.059 -0.283 0.000 1.178 227 L HN 0.269 nan 8.230 nan 0.000 0.473 228 P HA 0.130 nan 4.420 nan 0.000 0.269 228 P C 0.516 177.298 177.300 -0.864 0.000 1.209 228 P CA 0.056 62.606 63.100 -0.916 0.000 0.776 228 P CB 0.718 31.362 31.700 -1.761 0.000 0.876 229 S N 2.108 117.455 115.700 -0.589 0.000 2.370 229 S HA -0.173 4.346 4.470 0.083 0.000 0.226 229 S C 1.571 175.962 174.600 -0.349 0.000 1.033 229 S CA 0.965 58.955 58.200 -0.351 0.000 1.011 229 S CB -1.225 61.886 63.200 -0.149 0.000 0.852 229 S HN 0.695 nan 8.310 nan 0.000 0.457 230 W N 1.156 122.336 121.300 -0.200 0.000 2.825 230 W HA 0.245 4.938 4.660 0.055 0.000 0.243 230 W C 1.567 177.863 176.519 -0.371 0.000 1.293 230 W CA 0.488 57.697 57.345 -0.226 0.000 1.403 230 W CB -0.646 28.683 29.460 -0.218 0.000 1.134 230 W HN 0.436 nan 8.180 nan 0.000 0.666 231 Q N 0.924 120.231 119.800 -0.820 0.000 2.247 231 Q HA 0.009 4.399 4.340 0.083 0.000 0.211 231 Q C 1.383 177.041 176.000 -0.569 0.000 0.861 231 Q CA 0.010 55.281 55.803 -0.887 0.000 0.949 231 Q CB 0.206 28.115 28.738 -1.382 0.000 1.115 231 Q HN 0.315 nan 8.270 nan 0.000 0.507 232 E N -0.025 119.927 120.200 -0.412 0.000 2.409 232 E HA -0.118 4.282 4.350 0.083 0.000 0.198 232 E C 1.081 177.568 176.600 -0.189 0.000 1.024 232 E CA 0.504 56.732 56.400 -0.287 0.000 0.861 232 E CB 0.246 29.813 29.700 -0.222 0.000 0.788 232 E HN 0.182 nan 8.360 nan 0.000 0.521 233 R N -0.210 120.209 120.500 -0.136 0.000 2.334 233 R HA 0.192 4.581 4.340 0.083 0.000 0.216 233 R C 1.590 177.865 176.300 -0.040 0.000 0.905 233 R CA 0.234 56.298 56.100 -0.061 0.000 1.064 233 R CB 0.503 30.799 30.300 -0.008 0.000 1.046 233 R HN 0.001 nan 8.270 nan 0.000 0.508 234 A N 0.838 123.590 122.820 -0.114 0.000 2.208 234 A HA -0.013 4.357 4.320 0.083 0.000 0.209 234 A C 0.240 177.778 177.584 -0.076 0.000 1.161 234 A CA 0.285 52.263 52.037 -0.100 0.000 0.782 234 A CB -0.318 18.439 19.000 -0.404 0.000 0.816 234 A HN 0.536 nan 8.150 nan 0.000 0.477 235 N N -1.249 117.384 118.700 -0.112 0.000 2.758 235 N HA -0.128 4.662 4.740 0.083 0.000 0.248 235 N C -0.553 174.935 175.510 -0.038 0.000 1.076 235 N CA 0.281 53.304 53.050 -0.045 0.000 0.696 235 N CB -1.492 37.017 38.487 0.037 0.000 0.979 235 N HN 0.214 nan 8.380 nan 0.000 0.550 236 V N 1.097 120.864 119.914 -0.245 0.000 2.673 236 V HA 0.163 4.332 4.120 0.083 0.000 0.303 236 V C -0.722 175.331 176.094 -0.069 0.000 1.046 236 V CA -0.524 61.618 62.300 -0.264 0.000 1.126 236 V CB 0.266 31.765 31.823 -0.541 0.000 0.934 236 V HN 0.181 nan 8.190 nan 0.000 0.487 237 P HA 0.387 nan 4.420 nan 0.000 0.278 237 P C -2.694 174.609 177.300 0.005 0.000 1.266 237 P CA -1.692 61.427 63.100 0.031 0.000 0.807 237 P CB 0.395 32.147 31.700 0.087 0.000 1.094 238 P HA 0.031 nan 4.420 nan 0.000 0.274 238 P C 0.232 177.573 177.300 0.069 0.000 1.237 238 P CA -0.077 63.035 63.100 0.019 0.000 0.793 238 P CB 0.401 32.112 31.700 0.017 0.000 0.977 239 S N 0.353 116.096 115.700 0.072 0.000 2.566 239 S HA 0.164 4.683 4.470 0.083 0.000 0.280 239 S C 1.470 176.153 174.600 0.139 0.000 1.343 239 S CA 0.128 58.414 58.200 0.143 0.000 1.036 239 S CB -0.222 63.046 63.200 0.113 0.000 0.866 239 S HN 0.511 nan 8.310 nan 0.000 0.526 240 A N 4.074 126.980 122.820 0.145 0.000 2.208 240 A HA 0.186 4.556 4.320 0.083 0.000 0.209 240 A C 0.810 178.436 177.584 0.071 0.000 1.161 240 A CA 0.043 52.058 52.037 -0.036 0.000 0.782 240 A CB -0.714 17.979 19.000 -0.512 0.000 0.816 240 A HN 0.886 nan 8.150 nan 0.000 0.477 241 N N 0.760 119.538 118.700 0.130 0.000 2.444 241 N HA 0.292 5.082 4.740 0.083 0.000 0.255 241 N C -2.756 172.797 175.510 0.072 0.000 1.255 241 N CA -1.339 51.785 53.050 0.123 0.000 0.933 241 N CB 0.302 38.846 38.487 0.095 0.000 1.143 241 N HN -0.005 nan 8.380 nan 0.000 0.453 242 P HA -0.032 nan 4.420 nan 0.000 0.262 242 P C 0.685 178.003 177.300 0.029 0.000 1.182 242 P CA 0.917 64.039 63.100 0.036 0.000 0.761 242 P CB 0.432 32.148 31.700 0.027 0.000 0.795 243 G N 3.263 112.077 108.800 0.023 0.000 2.345 243 G HA2 -0.143 3.867 3.960 0.083 0.000 0.218 243 G HA3 -0.143 3.867 3.960 0.083 0.000 0.218 243 G C 0.539 175.450 174.900 0.018 0.000 1.058 243 G CA 0.182 45.292 45.100 0.017 0.000 0.632 243 G HN 1.044 nan 8.290 nan 0.000 0.508 244 A N -0.242 122.594 122.820 0.028 0.000 2.734 244 A HA 0.368 4.737 4.320 0.083 0.000 0.296 244 A C 1.916 179.512 177.584 0.019 0.000 1.474 244 A CA 1.698 53.753 52.037 0.030 0.000 0.735 244 A CB -1.635 17.379 19.000 0.024 0.000 1.062 244 A HN 2.494 nan 8.150 nan 0.000 0.463 245 G N -0.147 108.664 108.800 0.018 0.000 2.699 245 G HA2 0.492 4.502 3.960 0.083 0.000 0.246 245 G HA3 0.492 4.502 3.960 0.083 0.000 0.246 245 G C 0.365 175.260 174.900 -0.008 0.000 1.219 245 G CA 0.635 45.737 45.100 0.003 0.000 0.866 245 G HN 1.603 nan 8.290 nan 0.000 0.572 246 S N -0.983 114.700 115.700 -0.028 0.000 2.554 246 S HA 0.768 5.287 4.470 0.083 0.000 0.278 246 S C 0.351 174.917 174.600 -0.057 0.000 1.242 246 S CA 0.264 58.431 58.200 -0.054 0.000 1.051 246 S CB 0.909 64.067 63.200 -0.071 0.000 0.986 246 S HN 1.472 nan 8.310 nan 0.000 0.502 247 G N 2.808 111.560 108.800 -0.079 0.000 2.523 247 G HA2 0.350 4.359 3.960 0.083 0.000 0.291 247 G HA3 0.350 4.359 3.960 0.083 0.000 0.291 247 G C -1.428 173.406 174.900 -0.109 0.000 1.450 247 G CA -0.941 44.123 45.100 -0.061 0.000 0.790 247 G HN 0.688 nan 8.290 nan 0.000 0.496 248 R N 0.355 120.814 120.500 -0.068 0.000 2.480 248 R HA 0.276 4.666 4.340 0.083 0.000 0.303 248 R C 0.551 176.810 176.300 -0.068 0.000 0.985 248 R CA 0.444 56.467 56.100 -0.128 0.000 1.051 248 R CB 0.026 30.311 30.300 -0.025 0.000 0.935 248 R HN 0.727 nan 8.270 nan 0.000 0.410 249 G N 2.926 111.624 108.800 -0.169 0.000 2.372 249 G HA2 0.420 4.429 3.960 0.083 0.000 0.283 249 G HA3 0.420 4.429 3.960 0.083 0.000 0.283 249 G C -0.784 174.330 174.900 0.358 0.000 1.177 249 G CA -0.528 44.595 45.100 0.037 0.000 0.842 249 G HN 0.439 nan 8.290 nan 0.000 0.503 250 V N 4.995 125.141 119.914 0.387 0.000 2.628 250 V HA 0.551 4.720 4.120 0.083 0.000 0.306 250 V C -1.825 174.395 176.094 0.210 0.000 1.045 250 V CA -1.390 61.094 62.300 0.307 0.000 0.905 250 V CB 2.448 34.392 31.823 0.202 0.000 0.997 250 V HN 0.713 nan 8.190 nan 0.000 0.436 251 P HA 0.417 nan 4.420 nan 0.000 0.301 251 P C -0.448 177.044 177.300 0.319 0.000 1.309 251 P CA -0.295 62.917 63.100 0.187 0.000 0.782 251 P CB 1.941 33.703 31.700 0.103 0.000 1.282 252 D N -1.435 119.140 120.400 0.292 0.000 2.259 252 D HA 0.080 4.769 4.640 0.083 0.000 0.216 252 D C 0.793 177.137 176.300 0.073 0.000 0.961 252 D CA 1.234 55.449 54.000 0.358 0.000 0.878 252 D CB 0.421 41.408 40.800 0.311 0.000 1.009 252 D HN 0.265 nan 8.370 nan 0.000 0.490 253 V N -2.773 117.173 119.914 0.053 0.000 3.182 253 V HA 0.929 5.098 4.120 0.083 0.000 0.308 253 V C -1.348 174.819 176.094 0.122 0.000 1.240 253 V CA -1.029 61.270 62.300 -0.001 0.000 1.063 253 V CB 1.860 33.669 31.823 -0.023 0.000 1.076 253 V HN 0.076 nan 8.190 nan 0.000 0.446 254 A N -0.658 122.272 122.820 0.183 0.000 2.606 254 A HA 1.058 5.427 4.320 0.083 0.000 0.293 254 A C -0.262 177.537 177.584 0.359 0.000 1.082 254 A CA -0.116 52.072 52.037 0.253 0.000 0.685 254 A CB 1.490 20.565 19.000 0.126 0.000 1.284 254 A HN 2.454 nan 8.150 nan 0.000 0.408 255 G N -0.206 108.771 108.800 0.294 0.000 2.682 255 G HA2 0.480 4.490 3.960 0.083 0.000 0.290 255 G HA3 0.480 4.490 3.960 0.083 0.000 0.290 255 G C -0.963 174.091 174.900 0.256 0.000 1.425 255 G CA -0.746 44.549 45.100 0.325 0.000 0.807 255 G HN 0.983 nan 8.290 nan 0.000 0.482 256 N N -0.273 118.611 118.700 0.306 0.000 2.294 256 N HA 0.313 5.102 4.740 0.083 0.000 0.263 256 N C 0.771 176.329 175.510 0.080 0.000 1.281 256 N CA 1.177 54.285 53.050 0.097 0.000 0.846 256 N CB 1.022 39.432 38.487 -0.128 0.000 1.061 256 N HN 0.822 nan 8.380 nan 0.000 0.478 257 A N 2.768 125.532 122.820 -0.094 0.000 2.591 257 A HA 0.093 4.463 4.320 0.083 0.000 0.204 257 A C 0.097 177.138 177.584 -0.906 0.000 1.410 257 A CA -0.339 51.498 52.037 -0.334 0.000 1.065 257 A CB -0.023 18.811 19.000 -0.277 0.000 1.362 257 A HN 0.647 nan 8.150 nan 0.000 0.566 258 D N 1.303 121.233 120.400 -0.783 0.000 2.401 258 D HA 0.207 4.897 4.640 0.083 0.000 0.254 258 D C -1.720 174.309 176.300 -0.452 0.000 1.192 258 D CA -1.486 51.971 54.000 -0.904 0.000 0.885 258 D CB 1.364 42.008 40.800 -0.260 0.000 1.147 258 D HN 0.021 nan 8.370 nan 0.000 0.478 259 P HA -0.080 nan 4.420 nan 0.000 0.221 259 P C 0.754 178.001 177.300 -0.089 0.000 1.145 259 P CA 1.008 64.017 63.100 -0.150 0.000 0.795 259 P CB 0.210 31.882 31.700 -0.047 0.000 0.775 260 A N -0.744 122.045 122.820 -0.053 0.000 2.119 260 A HA -0.041 4.328 4.320 0.083 0.000 0.217 260 A C 1.436 178.972 177.584 -0.080 0.000 1.153 260 A CA 1.766 53.783 52.037 -0.032 0.000 0.692 260 A CB -1.176 17.839 19.000 0.025 0.000 0.799 260 A HN 0.317 nan 8.150 nan 0.000 0.458 261 T N -3.619 110.871 114.554 -0.107 0.000 3.633 261 T HA 0.504 4.904 4.350 0.083 0.000 0.278 261 T C 0.666 175.276 174.700 -0.151 0.000 0.991 261 T CA 0.196 62.218 62.100 -0.129 0.000 1.036 261 T CB 0.035 68.904 68.868 0.001 0.000 1.148 261 T HN 0.374 nan 8.240 nan 0.000 0.501 262 G N 0.710 109.402 108.800 -0.182 0.000 2.525 262 G HA2 0.473 4.483 3.960 0.083 0.000 0.276 262 G HA3 0.473 4.483 3.960 0.083 0.000 0.276 262 G C -1.002 173.735 174.900 -0.271 0.000 1.388 262 G CA -0.723 44.258 45.100 -0.198 0.000 1.050 262 G HN 0.496 nan 8.290 nan 0.000 0.520 263 Y N -0.387 119.894 120.300 -0.033 0.000 2.330 263 Y HA 0.315 4.914 4.550 0.082 0.000 0.336 263 Y C 0.666 176.559 175.900 -0.011 0.000 1.036 263 Y CA -0.621 57.476 58.100 -0.005 0.000 1.125 263 Y CB 1.505 39.943 38.460 -0.037 0.000 1.194 263 Y HN 0.377 nan 8.280 nan 0.000 0.469 264 E N 4.242 124.532 120.200 0.150 0.000 2.259 264 E HA 0.431 4.831 4.350 0.083 0.000 0.281 264 E C -1.205 175.511 176.600 0.193 0.000 1.037 264 E CA -0.160 56.313 56.400 0.122 0.000 0.854 264 E CB 0.817 30.578 29.700 0.101 0.000 1.051 264 E HN 0.589 nan 8.360 nan 0.000 0.409 265 V N 0.842 120.790 119.914 0.057 0.000 3.206 265 V HA 0.581 4.751 4.120 0.083 0.000 0.305 265 V C -0.839 175.159 176.094 -0.161 0.000 1.257 265 V CA -1.039 61.130 62.300 -0.219 0.000 1.057 265 V CB 1.947 33.582 31.823 -0.313 0.000 1.075 265 V HN 0.300 nan 8.190 nan 0.000 0.443 266 V N 3.273 122.993 119.914 -0.322 0.000 2.378 266 V HA 0.554 4.724 4.120 0.083 0.000 0.288 266 V C -0.686 175.313 176.094 -0.158 0.000 1.016 266 V CA -0.298 61.925 62.300 -0.129 0.000 0.840 266 V CB 1.276 33.087 31.823 -0.020 0.000 0.994 266 V HN 0.684 nan 8.190 nan 0.000 0.431 267 I N 3.817 124.332 120.570 -0.090 0.000 2.382 267 I HA 0.434 4.654 4.170 0.083 0.000 0.286 267 I C 0.203 176.303 176.117 -0.028 0.000 1.002 267 I CA -0.379 60.883 61.300 -0.065 0.000 1.135 267 I CB 1.275 39.241 38.000 -0.056 0.000 1.288 267 I HN 0.612 nan 8.210 nan 0.000 0.448 268 D N 5.476 125.869 120.400 -0.012 0.000 2.701 268 D HA -0.187 4.503 4.640 0.083 0.000 0.235 268 D C 1.334 177.633 176.300 -0.002 0.000 1.155 268 D CA 1.649 55.649 54.000 0.001 0.000 0.649 268 D CB -0.904 39.897 40.800 0.002 0.000 1.050 268 D HN 1.135 nan 8.370 nan 0.000 0.425 269 G N -0.218 108.580 108.800 -0.003 0.000 2.184 269 G HA2 -0.370 3.640 3.960 0.083 0.000 0.264 269 G HA3 -0.370 3.640 3.960 0.083 0.000 0.264 269 G C 0.128 175.027 174.900 -0.001 0.000 0.975 269 G CA 0.549 45.650 45.100 0.001 0.000 0.642 269 G HN 0.628 nan 8.290 nan 0.000 0.536 270 E N 1.064 121.259 120.200 -0.008 0.000 2.134 270 E HA 0.522 4.922 4.350 0.083 0.000 0.278 270 E C -0.305 176.289 176.600 -0.010 0.000 0.959 270 E CA -0.379 56.017 56.400 -0.008 0.000 0.783 270 E CB 0.657 30.351 29.700 -0.010 0.000 1.095 270 E HN 0.083 nan 8.360 nan 0.000 0.399 271 T N 3.489 118.043 114.554 0.000 0.000 2.794 271 T HA 0.276 4.676 4.350 0.083 0.000 0.296 271 T C -0.176 174.524 174.700 -0.001 0.000 0.949 271 T CA 0.025 62.130 62.100 0.010 0.000 1.101 271 T CB 1.262 70.142 68.868 0.021 0.000 0.905 271 T HN 0.497 nan 8.240 nan 0.000 0.516 272 T N 1.833 116.385 114.554 -0.005 0.000 2.648 272 T HA 0.582 4.982 4.350 0.083 0.000 0.304 272 T C -1.652 173.043 174.700 -0.008 0.000 1.312 272 T CA -0.470 61.623 62.100 -0.011 0.000 1.023 272 T CB 1.189 70.047 68.868 -0.018 0.000 1.612 272 T HN 0.286 nan 8.240 nan 0.000 0.487 273 V N 2.116 122.022 119.914 -0.013 0.000 2.540 273 V HA 0.669 4.838 4.120 0.083 0.000 0.302 273 V C -0.568 175.521 176.094 -0.008 0.000 1.035 273 V CA -0.613 61.681 62.300 -0.009 0.000 0.873 273 V CB 1.413 33.218 31.823 -0.031 0.000 0.992 273 V HN 0.684 nan 8.190 nan 0.000 0.428 274 I N 2.730 123.308 120.570 0.013 0.000 2.730 274 I HA 0.784 5.004 4.170 0.083 0.000 0.298 274 I C 0.556 176.695 176.117 0.036 0.000 1.089 274 I CA -0.311 60.988 61.300 -0.002 0.000 1.041 274 I CB 2.543 40.523 38.000 -0.033 0.000 1.235 274 I HN 0.766 nan 8.210 nan 0.000 0.423 275 G N 2.241 111.018 108.800 -0.038 0.000 3.247 275 G HA2 0.825 4.834 3.960 0.083 0.000 0.226 275 G HA3 0.825 4.834 3.960 0.083 0.000 0.226 275 G C -0.403 174.386 174.900 -0.186 0.000 1.220 275 G CA -0.566 44.470 45.100 -0.106 0.000 0.875 275 G HN 1.096 nan 8.290 nan 0.000 0.606 276 G N -2.386 106.162 108.800 -0.420 0.000 2.619 276 G HA2 0.281 4.290 3.960 0.083 0.000 0.686 276 G HA3 0.281 4.290 3.960 0.083 0.000 0.686 276 G C 0.788 175.605 174.900 -0.139 0.000 1.256 276 G CA 0.612 45.555 45.100 -0.262 0.000 0.826 276 G HN 1.749 nan 8.290 nan 0.000 0.619 277 T N -1.582 113.021 114.554 0.082 0.000 3.051 277 T HA 0.024 4.424 4.350 0.083 0.000 0.269 277 T C 2.393 177.091 174.700 -0.005 0.000 1.127 277 T CA 2.051 64.202 62.100 0.084 0.000 1.107 277 T CB -0.098 68.883 68.868 0.188 0.000 0.898 277 T HN 0.879 nan 8.240 nan 0.000 0.517 278 S N 1.626 117.302 115.700 -0.039 0.000 2.420 278 S HA 0.002 4.521 4.470 0.083 0.000 0.237 278 S C 2.428 176.937 174.600 -0.151 0.000 1.023 278 S CA 1.023 59.165 58.200 -0.098 0.000 0.991 278 S CB -0.596 62.516 63.200 -0.148 0.000 0.792 278 S HN 0.815 nan 8.310 nan 0.000 0.488 279 A N 0.459 123.152 122.820 -0.212 0.000 2.021 279 A HA 0.110 4.479 4.320 0.083 0.000 0.216 279 A C 2.157 179.526 177.584 -0.359 0.000 1.163 279 A CA 0.691 52.497 52.037 -0.386 0.000 0.676 279 A CB -0.336 18.262 19.000 -0.670 0.000 0.818 279 A HN 0.364 nan 8.150 nan 0.000 0.453 280 V N -0.170 119.596 119.914 -0.246 0.000 2.453 280 V HA -0.156 4.014 4.120 0.083 0.000 0.247 280 V C 2.962 178.882 176.094 -0.290 0.000 1.048 280 V CA 1.597 63.700 62.300 -0.329 0.000 1.049 280 V CB -1.172 30.531 31.823 -0.200 0.000 0.672 280 V HN 0.554 nan 8.190 nan 0.000 0.457 281 A N 0.846 123.600 122.820 -0.110 0.000 1.877 281 A HA -0.090 4.279 4.320 0.083 0.000 0.216 281 A C 0.572 178.146 177.584 -0.017 0.000 1.186 281 A CA 1.957 53.986 52.037 -0.013 0.000 0.620 281 A CB -1.845 17.171 19.000 0.026 0.000 0.822 281 A HN 0.531 nan 8.150 nan 0.000 0.443 282 P HA -0.127 nan 4.420 nan 0.000 0.217 282 P C 1.688 178.980 177.300 -0.014 0.000 1.150 282 P CA 0.853 63.934 63.100 -0.032 0.000 0.832 282 P CB -0.097 31.556 31.700 -0.079 0.000 0.787 283 L N -1.286 119.868 121.223 -0.116 0.000 1.989 283 L HA -0.151 4.238 4.340 0.083 0.000 0.211 283 L C 1.932 178.937 176.870 0.224 0.000 1.071 283 L CA 2.163 56.978 54.840 -0.043 0.000 0.749 283 L CB -1.358 40.527 42.059 -0.289 0.000 0.890 283 L HN -0.149 nan 8.230 nan 0.000 0.431 284 F N -0.217 119.833 119.950 0.167 0.000 2.615 284 F HA 0.204 4.770 4.527 0.065 0.000 0.297 284 F C 2.425 178.235 175.800 0.018 0.000 1.124 284 F CA 0.267 58.317 58.000 0.084 0.000 1.451 284 F CB -1.638 37.390 39.000 0.047 0.000 1.103 284 F HN 0.198 nan 8.300 nan 0.000 0.569 285 A N 0.205 123.138 122.820 0.189 0.000 1.930 285 A HA 0.017 4.386 4.320 0.083 0.000 0.217 285 A C 2.486 180.126 177.584 0.094 0.000 1.175 285 A CA 1.592 53.694 52.037 0.108 0.000 0.627 285 A CB -1.010 18.036 19.000 0.077 0.000 0.815 285 A HN 0.257 nan 8.150 nan 0.000 0.443 286 A N -0.392 122.513 122.820 0.142 0.000 1.898 286 A HA 0.029 4.399 4.320 0.083 0.000 0.216 286 A C 2.097 179.725 177.584 0.074 0.000 1.181 286 A CA 1.609 53.737 52.037 0.151 0.000 0.620 286 A CB -0.620 18.538 19.000 0.263 0.000 0.819 286 A HN 0.681 nan 8.150 nan 0.000 0.442 287 L N 0.238 121.442 121.223 -0.031 0.000 1.989 287 L HA -0.144 4.245 4.340 0.083 0.000 0.211 287 L C 2.364 179.100 176.870 -0.224 0.000 1.071 287 L CA 2.205 56.782 54.840 -0.439 0.000 0.749 287 L CB -0.761 40.873 42.059 -0.709 0.000 0.890 287 L HN 0.154 nan 8.230 nan 0.000 0.431 288 V N 0.235 120.083 119.914 -0.111 0.000 2.332 288 V HA -0.306 3.864 4.120 0.083 0.000 0.248 288 V C 2.840 178.904 176.094 -0.051 0.000 1.055 288 V CA 1.639 63.892 62.300 -0.078 0.000 1.038 288 V CB -1.492 30.312 31.823 -0.032 0.000 0.651 288 V HN 0.648 nan 8.190 nan 0.000 0.450 289 A N -0.045 122.763 122.820 -0.020 0.000 1.908 289 A HA -0.241 4.128 4.320 0.083 0.000 0.218 289 A C 2.391 179.965 177.584 -0.016 0.000 1.181 289 A CA 1.893 53.927 52.037 -0.005 0.000 0.627 289 A CB -0.499 18.512 19.000 0.019 0.000 0.818 289 A HN 0.514 nan 8.150 nan 0.000 0.445 290 R N -0.669 119.815 120.500 -0.028 0.000 2.081 290 R HA -0.057 4.333 4.340 0.083 0.000 0.235 290 R C 2.032 178.303 176.300 -0.048 0.000 1.131 290 R CA 1.598 57.682 56.100 -0.028 0.000 0.960 290 R CB -0.505 29.777 30.300 -0.030 0.000 0.856 290 R HN 0.581 nan 8.270 nan 0.000 0.436 291 I N 1.265 121.788 120.570 -0.079 0.000 2.179 291 I HA -0.273 3.946 4.170 0.083 0.000 0.242 291 I C 1.665 177.750 176.117 -0.053 0.000 1.088 291 I CA 1.112 62.365 61.300 -0.079 0.000 1.357 291 I CB -0.360 37.574 38.000 -0.110 0.000 1.051 291 I HN 0.147 nan 8.210 nan 0.000 0.409 292 N N 0.547 119.221 118.700 -0.043 0.000 2.166 292 N HA -0.239 4.550 4.740 0.083 0.000 0.186 292 N C 1.744 177.242 175.510 -0.021 0.000 1.019 292 N CA 1.064 54.097 53.050 -0.028 0.000 0.856 292 N CB -0.351 38.125 38.487 -0.018 0.000 0.993 292 N HN 0.452 nan 8.380 nan 0.000 0.426 293 Q N 0.612 120.401 119.800 -0.019 0.000 2.050 293 Q HA -0.168 4.221 4.340 0.083 0.000 0.202 293 Q C 1.791 177.782 176.000 -0.015 0.000 0.980 293 Q CA 1.530 57.325 55.803 -0.012 0.000 0.840 293 Q CB 0.030 28.763 28.738 -0.008 0.000 0.898 293 Q HN 0.040 nan 8.270 nan 0.000 0.424 294 K N 0.201 120.588 120.400 -0.022 0.000 2.026 294 K HA -0.132 4.237 4.320 0.083 0.000 0.208 294 K C 1.876 178.462 176.600 -0.023 0.000 1.048 294 K CA 1.055 57.329 56.287 -0.022 0.000 0.929 294 K CB -0.369 32.114 32.500 -0.029 0.000 0.713 294 K HN 0.171 nan 8.250 nan 0.000 0.439 295 L N -0.322 120.884 121.223 -0.027 0.000 2.141 295 L HA 0.110 4.499 4.340 0.083 0.000 0.209 295 L C 1.692 178.550 176.870 -0.019 0.000 1.094 295 L CA 1.985 56.809 54.840 -0.026 0.000 0.763 295 L CB -0.892 41.148 42.059 -0.032 0.000 0.908 295 L HN 0.607 nan 8.230 nan 0.000 0.437 296 G N -0.907 107.884 108.800 -0.015 0.000 2.179 296 G HA2 -0.265 3.745 3.960 0.083 0.000 0.260 296 G HA3 -0.265 3.745 3.960 0.083 0.000 0.260 296 G C 0.327 175.222 174.900 -0.009 0.000 0.977 296 G CA 0.663 45.757 45.100 -0.011 0.000 0.641 296 G HN 0.432 nan 8.290 nan 0.000 0.533 297 K N -0.439 119.954 120.400 -0.012 0.000 2.542 297 K HA 0.583 4.953 4.320 0.083 0.000 0.259 297 K C -3.422 173.171 176.600 -0.012 0.000 0.932 297 K CA -2.089 54.192 56.287 -0.010 0.000 0.820 297 K CB 2.179 34.673 32.500 -0.010 0.000 1.345 297 K HN 0.075 nan 8.250 nan 0.000 0.432 298 P HA -0.008 nan 4.420 nan 0.000 0.271 298 P C 1.195 178.487 177.300 -0.012 0.000 1.216 298 P CA -0.384 62.711 63.100 -0.009 0.000 0.771 298 P CB 0.844 32.542 31.700 -0.003 0.000 0.864 299 V N 0.694 120.596 119.914 -0.020 0.000 2.809 299 V HA 0.086 4.256 4.120 0.083 0.000 0.256 299 V C 1.459 177.547 176.094 -0.010 0.000 1.080 299 V CA 1.246 63.529 62.300 -0.028 0.000 1.102 299 V CB -1.939 29.855 31.823 -0.048 0.000 0.705 299 V HN 0.880 nan 8.190 nan 0.000 0.475 300 G N 0.101 108.904 108.800 0.006 0.000 2.634 300 G HA2 -0.411 3.599 3.960 0.083 0.000 0.309 300 G HA3 -0.411 3.599 3.960 0.083 0.000 0.309 300 G C 0.069 175.020 174.900 0.086 0.000 1.265 300 G CA 0.670 45.793 45.100 0.038 0.000 0.998 300 G HN 1.005 nan 8.290 nan 0.000 0.551 301 Y N 1.443 121.712 120.300 -0.052 0.000 2.697 301 Y HA 0.378 4.970 4.550 0.070 0.000 0.349 301 Y C 1.705 177.533 175.900 -0.120 0.000 1.120 301 Y CA -0.254 57.803 58.100 -0.072 0.000 1.468 301 Y CB 0.011 38.450 38.460 -0.034 0.000 1.182 301 Y HN 0.388 nan 8.280 nan 0.000 0.525 302 L N 5.272 126.402 121.223 -0.156 0.000 2.416 302 L HA -0.067 4.322 4.340 0.083 0.000 0.216 302 L C 1.795 178.364 176.870 -0.501 0.000 1.098 302 L CA 0.265 54.933 54.840 -0.285 0.000 0.840 302 L CB -0.257 41.712 42.059 -0.149 0.000 0.981 302 L HN 0.736 nan 8.230 nan 0.000 0.462 303 N N 0.833 119.072 118.700 -0.768 0.000 2.036 303 N HA -0.228 4.561 4.740 0.083 0.000 0.199 303 N C -0.995 173.900 175.510 -1.026 0.000 1.036 303 N CA 1.569 54.060 53.050 -0.931 0.000 0.870 303 N CB -1.094 36.550 38.487 -1.405 0.000 1.055 303 N HN 0.230 nan 8.380 nan 0.000 0.436 304 P HA -0.105 nan 4.420 nan 0.000 0.215 304 P C 1.321 178.461 177.300 -0.267 0.000 1.157 304 P CA 1.544 64.184 63.100 -0.766 0.000 0.874 304 P CB -0.101 31.206 31.700 -0.655 0.000 0.790 305 T N -0.245 114.141 114.554 -0.281 0.000 2.746 305 T HA -0.105 4.295 4.350 0.083 0.000 0.267 305 T C 1.747 176.411 174.700 -0.060 0.000 1.039 305 T CA 1.054 63.073 62.100 -0.134 0.000 1.142 305 T CB -0.969 67.812 68.868 -0.144 0.000 0.866 305 T HN 0.049 nan 8.240 nan 0.000 0.444 306 L N -0.429 120.749 121.223 -0.075 0.000 2.079 306 L HA -0.131 4.258 4.340 0.083 0.000 0.210 306 L C 2.162 179.013 176.870 -0.031 0.000 1.081 306 L CA 1.570 56.406 54.840 -0.006 0.000 0.752 306 L CB -0.612 41.416 42.059 -0.051 0.000 0.896 306 L HN 0.317 nan 8.230 nan 0.000 0.433 307 Y N 0.324 120.606 120.300 -0.030 0.000 2.578 307 Y HA -0.151 4.439 4.550 0.067 0.000 0.297 307 Y C 2.042 177.959 175.900 0.029 0.000 1.176 307 Y CA 0.482 58.595 58.100 0.021 0.000 1.315 307 Y CB -0.169 38.359 38.460 0.113 0.000 1.031 307 Y HN 0.420 nan 8.280 nan 0.000 0.524 308 Q N -0.952 118.921 119.800 0.121 0.000 2.159 308 Q HA 0.261 4.650 4.340 0.083 0.000 0.217 308 Q C -0.444 175.588 176.000 0.053 0.000 0.818 308 Q CA 0.136 55.987 55.803 0.080 0.000 1.008 308 Q CB -0.265 28.509 28.738 0.060 0.000 1.148 308 Q HN 0.268 nan 8.270 nan 0.000 0.491 309 L N 2.738 124.000 121.223 0.065 0.000 2.418 309 L HA 0.464 4.854 4.340 0.083 0.000 0.265 309 L C -1.682 175.231 176.870 0.070 0.000 1.143 309 L CA -2.246 52.629 54.840 0.059 0.000 0.809 309 L CB 0.269 42.373 42.059 0.075 0.000 1.124 309 L HN 0.160 nan 8.230 nan 0.000 0.456 310 P HA 0.114 nan 4.420 nan 0.000 0.273 310 P C -2.263 175.079 177.300 0.070 0.000 1.250 310 P CA -1.237 61.887 63.100 0.039 0.000 0.793 310 P CB -0.030 31.678 31.700 0.013 0.000 1.011 311 P HA -0.140 nan 4.420 nan 0.000 0.222 311 P C 1.017 178.359 177.300 0.070 0.000 1.147 311 P CA 1.337 64.486 63.100 0.081 0.000 0.790 311 P CB -0.004 31.724 31.700 0.047 0.000 0.780 312 E N 0.129 120.344 120.200 0.025 0.000 2.338 312 E HA -0.052 4.348 4.350 0.083 0.000 0.197 312 E C 1.863 178.428 176.600 -0.059 0.000 1.007 312 E CA 0.642 57.040 56.400 -0.004 0.000 0.849 312 E CB -1.216 28.475 29.700 -0.015 0.000 0.774 312 E HN 0.193 nan 8.360 nan 0.000 0.506 313 V N 0.121 119.967 119.914 -0.114 0.000 3.041 313 V HA -0.014 4.156 4.120 0.083 0.000 0.260 313 V C 0.577 176.276 176.094 -0.658 0.000 1.105 313 V CA 0.958 63.027 62.300 -0.384 0.000 1.125 313 V CB -0.609 30.913 31.823 -0.501 0.000 0.730 313 V HN 0.033 nan 8.190 nan 0.000 0.479 314 F N -1.476 118.432 119.950 -0.070 0.000 2.577 314 F HA 0.501 5.078 4.527 0.085 0.000 0.318 314 F C 0.150 175.942 175.800 -0.012 0.000 1.065 314 F CA -0.997 56.960 58.000 -0.072 0.000 0.929 314 F CB 1.186 40.118 39.000 -0.113 0.000 1.237 314 F HN -0.122 nan 8.300 nan 0.000 0.468 315 H N 2.116 121.261 119.070 0.125 0.000 2.594 315 H HA 0.144 4.749 4.556 0.080 0.000 0.304 315 H C -1.212 174.160 175.328 0.074 0.000 1.068 315 H CA -0.596 55.500 56.048 0.080 0.000 1.308 315 H CB 1.079 30.885 29.762 0.072 0.000 1.409 315 H HN 0.555 nan 8.280 nan 0.000 0.460 316 D N 5.131 125.306 120.400 -0.375 0.000 2.343 316 D HA 0.102 4.792 4.640 0.083 0.000 0.255 316 D C -0.259 175.868 176.300 -0.289 0.000 1.187 316 D CA -0.302 53.542 54.000 -0.259 0.000 0.875 316 D CB 0.350 41.042 40.800 -0.180 0.000 1.136 316 D HN 0.412 nan 8.370 nan 0.000 0.469 317 I N 2.845 123.340 120.570 -0.125 0.000 2.342 317 I HA 0.140 4.360 4.170 0.083 0.000 0.291 317 I C 1.603 177.684 176.117 -0.060 0.000 1.010 317 I CA 0.106 61.379 61.300 -0.045 0.000 1.308 317 I CB 1.616 39.628 38.000 0.020 0.000 1.400 317 I HN 0.459 nan 8.210 nan 0.000 0.488 318 T N 0.707 115.240 114.554 -0.035 0.000 3.043 318 T HA 0.288 4.687 4.350 0.083 0.000 0.272 318 T C 0.320 175.016 174.700 -0.006 0.000 0.990 318 T CA -0.309 61.773 62.100 -0.030 0.000 0.897 318 T CB 0.016 68.866 68.868 -0.030 0.000 1.111 318 T HN 0.528 nan 8.240 nan 0.000 0.529 319 E N 0.322 120.529 120.200 0.012 0.000 2.222 319 E HA 0.567 4.967 4.350 0.083 0.000 0.267 319 E C -0.219 176.400 176.600 0.031 0.000 0.884 319 E CA -0.409 56.005 56.400 0.022 0.000 0.764 319 E CB 1.495 31.214 29.700 0.032 0.000 1.169 319 E HN 0.550 nan 8.360 nan 0.000 0.413 320 G N 2.506 111.321 108.800 0.025 0.000 2.440 320 G HA2 -0.004 4.005 3.960 0.083 0.000 0.684 320 G HA3 -0.004 4.005 3.960 0.083 0.000 0.684 320 G C -1.454 173.457 174.900 0.018 0.000 1.309 320 G CA -0.443 44.674 45.100 0.029 0.000 0.931 320 G HN 0.872 nan 8.290 nan 0.000 0.612 321 N N -1.438 117.271 118.700 0.014 0.000 2.732 321 N HA 0.640 5.430 4.740 0.083 0.000 0.259 321 N C -0.030 175.480 175.510 0.000 0.000 1.402 321 N CA -0.389 52.667 53.050 0.009 0.000 0.829 321 N CB 1.317 39.804 38.487 0.000 0.000 1.495 321 N HN 0.768 nan 8.380 nan 0.000 0.511 322 N N -0.952 117.754 118.700 0.010 0.000 2.389 322 N HA 0.104 4.893 4.740 0.083 0.000 0.260 322 N C -1.219 174.288 175.510 -0.004 0.000 1.191 322 N CA -0.250 52.793 53.050 -0.011 0.000 0.885 322 N CB -0.007 38.493 38.487 0.022 0.000 1.162 322 N HN 0.620 nan 8.380 nan 0.000 0.512 323 D N 1.362 121.758 120.400 -0.006 0.000 2.313 323 D HA 0.166 4.856 4.640 0.083 0.000 0.239 323 D C 0.985 177.281 176.300 -0.006 0.000 1.142 323 D CA -0.508 53.502 54.000 0.017 0.000 0.847 323 D CB 0.954 41.762 40.800 0.013 0.000 1.082 323 D HN 0.448 nan 8.370 nan 0.000 0.480 324 I N 0.725 121.292 120.570 -0.006 0.000 4.050 324 I HA 0.439 4.658 4.170 0.083 0.000 0.327 324 I C 0.818 176.926 176.117 -0.015 0.000 1.473 324 I CA -0.486 60.797 61.300 -0.029 0.000 1.124 324 I CB 0.876 38.837 38.000 -0.064 0.000 1.129 324 I HN 0.217 nan 8.210 nan 0.000 0.428 325 A N 1.633 124.453 122.820 0.000 0.000 2.108 325 A HA 0.348 4.717 4.320 0.083 0.000 0.206 325 A C 0.725 178.301 177.584 -0.012 0.000 1.212 325 A CA 0.437 52.465 52.037 -0.016 0.000 0.843 325 A CB 0.038 19.009 19.000 -0.048 0.000 0.902 325 A HN 0.666 nan 8.150 nan 0.000 0.477 326 N N -2.309 116.396 118.700 0.008 0.000 3.364 326 N HA 0.218 5.008 4.740 0.083 0.000 0.294 326 N C -0.941 174.577 175.510 0.015 0.000 1.562 326 N CA -0.836 52.220 53.050 0.010 0.000 0.862 326 N CB 0.348 38.844 38.487 0.014 0.000 1.691 326 N HN -0.140 nan 8.380 nan 0.000 0.572 327 R N -0.450 120.057 120.500 0.012 0.000 2.388 327 R HA 0.266 4.656 4.340 0.083 0.000 0.247 327 R C 0.985 177.288 176.300 0.005 0.000 0.931 327 R CA 0.102 56.206 56.100 0.007 0.000 1.082 327 R CB -0.570 29.732 30.300 0.004 0.000 1.135 327 R HN 0.674 nan 8.270 nan 0.000 0.525 328 A N 1.081 123.909 122.820 0.013 0.000 2.206 328 A HA -0.002 4.367 4.320 0.083 0.000 0.211 328 A C 0.628 178.189 177.584 -0.037 0.000 1.158 328 A CA -0.022 52.013 52.037 -0.003 0.000 0.761 328 A CB -0.168 18.843 19.000 0.017 0.000 0.801 328 A HN 0.345 nan 8.150 nan 0.000 0.473 329 R N -1.708 118.773 120.500 -0.032 0.000 3.525 329 R HA -0.162 4.227 4.340 0.083 0.000 0.276 329 R C -1.037 175.199 176.300 -0.107 0.000 1.116 329 R CA 0.877 56.950 56.100 -0.046 0.000 0.745 329 R CB -2.153 28.131 30.300 -0.027 0.000 1.185 329 R HN 0.557 nan 8.270 nan 0.000 0.454 330 I N 1.165 121.614 120.570 -0.202 0.000 2.330 330 I HA 0.279 4.498 4.170 0.083 0.000 0.289 330 I C 0.302 176.133 176.117 -0.476 0.000 1.001 330 I CA -0.659 60.327 61.300 -0.524 0.000 1.193 330 I CB 0.730 38.154 38.000 -0.961 0.000 1.345 330 I HN -0.047 nan 8.210 nan 0.000 0.461 331 Y N 4.308 124.534 120.300 -0.123 0.000 2.458 331 Y HA 0.481 5.082 4.550 0.085 0.000 0.322 331 Y C 0.304 176.158 175.900 -0.076 0.000 1.259 331 Y CA -0.445 57.584 58.100 -0.118 0.000 1.302 331 Y CB 1.012 39.413 38.460 -0.098 0.000 1.314 331 Y HN 0.449 nan 8.280 nan 0.000 0.509 332 Q N 0.722 120.588 119.800 0.110 0.000 2.345 332 Q HA 0.724 5.114 4.340 0.083 0.000 0.268 332 Q C -1.071 174.935 176.000 0.010 0.000 1.054 332 Q CA -1.019 54.807 55.803 0.039 0.000 0.835 332 Q CB 1.901 30.651 28.738 0.021 0.000 1.339 332 Q HN 0.833 nan 8.270 nan 0.000 0.447 333 A N 1.240 124.052 122.820 -0.013 0.000 2.313 333 A HA 0.819 5.189 4.320 0.083 0.000 0.261 333 A C 0.130 177.696 177.584 -0.030 0.000 1.090 333 A CA 0.631 52.641 52.037 -0.046 0.000 0.807 333 A CB 0.604 19.582 19.000 -0.036 0.000 1.055 333 A HN 0.831 nan 8.150 nan 0.000 0.492 334 G N -0.661 108.113 108.800 -0.044 0.000 2.489 334 G HA2 0.586 4.596 3.960 0.083 0.000 0.305 334 G HA3 0.586 4.596 3.960 0.083 0.000 0.305 334 G C -3.373 171.510 174.900 -0.029 0.000 1.311 334 G CA -0.582 44.505 45.100 -0.022 0.000 0.813 334 G HN 0.599 nan 8.290 nan 0.000 0.480 335 P HA 0.426 nan 4.420 nan 0.000 0.268 335 P C 0.846 178.147 177.300 0.002 0.000 1.204 335 P CA 1.666 64.758 63.100 -0.014 0.000 0.768 335 P CB 0.975 32.674 31.700 -0.002 0.000 0.842 336 G N 2.567 111.363 108.800 -0.008 0.000 2.632 336 G HA2 -0.232 3.778 3.960 0.083 0.000 0.224 336 G HA3 -0.232 3.778 3.960 0.083 0.000 0.224 336 G C -1.057 173.866 174.900 0.038 0.000 1.341 336 G CA -0.342 44.775 45.100 0.028 0.000 0.880 336 G HN 0.645 nan 8.290 nan 0.000 0.566 337 W N 2.182 123.435 121.300 -0.079 0.000 2.181 337 W HA 0.470 5.159 4.660 0.049 0.000 0.335 337 W C 0.555 177.046 176.519 -0.047 0.000 1.310 337 W CA 1.038 58.337 57.345 -0.077 0.000 1.226 337 W CB 0.446 29.891 29.460 -0.025 0.000 1.155 337 W HN 0.977 nan 8.180 nan 0.000 0.565 338 D N 3.329 123.202 120.400 -0.877 0.000 2.583 338 D HA 0.362 5.052 4.640 0.083 0.000 0.248 338 D C -2.649 172.791 176.300 -1.434 0.000 1.209 338 D CA -1.905 51.660 54.000 -0.726 0.000 0.848 338 D CB 1.709 42.321 40.800 -0.313 0.000 1.431 338 D HN 0.045 nan 8.370 nan 0.000 0.436 339 P HA 0.245 nan 4.420 nan 0.000 0.253 339 P C -0.080 177.046 177.300 -0.290 0.000 1.508 339 P CA 0.046 62.812 63.100 -0.555 0.000 0.883 339 P CB -0.093 31.297 31.700 -0.518 0.000 1.519 340 C N -2.667 116.451 119.300 -0.304 0.000 2.878 340 C HA 0.142 4.652 4.460 0.083 0.000 0.490 340 C C 1.821 176.732 174.990 -0.132 0.000 1.339 340 C CA 1.011 59.956 59.018 -0.122 0.000 2.353 340 C CB -0.492 27.215 27.740 -0.056 0.000 3.174 340 C HN 0.294 nan 8.230 nan 0.000 0.569 341 T N -2.509 111.888 114.554 -0.262 0.000 3.144 341 T HA 0.481 4.880 4.350 0.083 0.000 0.290 341 T C 1.090 175.589 174.700 -0.336 0.000 0.966 341 T CA 1.145 63.128 62.100 -0.194 0.000 0.907 341 T CB 0.192 68.994 68.868 -0.110 0.000 1.152 341 T HN 0.900 nan 8.240 nan 0.000 0.532 342 G N 2.852 111.229 108.800 -0.706 0.000 2.611 342 G HA2 -0.322 3.688 3.960 0.083 0.000 0.301 342 G HA3 -0.322 3.688 3.960 0.083 0.000 0.301 342 G C 0.665 175.162 174.900 -0.671 0.000 1.233 342 G CA 0.355 44.893 45.100 -0.937 0.000 0.993 342 G HN 0.544 nan 8.290 nan 0.000 0.553 343 L N 2.492 123.450 121.223 -0.442 0.000 2.465 343 L HA 0.386 4.776 4.340 0.083 0.000 0.224 343 L C 1.868 178.438 176.870 -0.500 0.000 1.145 343 L CA 1.076 55.527 54.840 -0.648 0.000 0.834 343 L CB -1.213 39.972 42.059 -1.457 0.000 0.944 343 L HN 1.897 nan 8.230 nan 0.000 0.451 344 G N -0.332 108.296 108.800 -0.287 0.000 2.447 344 G HA2 -0.191 3.819 3.960 0.083 0.000 0.220 344 G HA3 -0.191 3.819 3.960 0.083 0.000 0.220 344 G C -0.411 174.513 174.900 0.041 0.000 1.261 344 G CA -0.308 44.745 45.100 -0.077 0.000 1.000 344 G HN 0.242 nan 8.290 nan 0.000 0.515 345 S N 1.489 117.243 115.700 0.090 0.000 2.525 345 S HA 0.736 5.256 4.470 0.083 0.000 0.278 345 S C -2.132 172.422 174.600 -0.076 0.000 1.234 345 S CA -0.677 57.473 58.200 -0.083 0.000 1.058 345 S CB 2.102 65.099 63.200 -0.338 0.000 0.983 345 S HN 0.749 nan 8.310 nan 0.000 0.495 346 P HA 0.299 nan 4.420 nan 0.000 0.275 346 P C -0.798 176.324 177.300 -0.297 0.000 1.228 346 P CA -0.421 62.426 63.100 -0.421 0.000 0.786 346 P CB 0.475 31.806 31.700 -0.614 0.000 0.927 347 I N 2.390 122.779 120.570 -0.302 0.000 2.347 347 I HA 0.157 4.377 4.170 0.083 0.000 0.283 347 I C 1.899 177.920 176.117 -0.161 0.000 1.058 347 I CA -0.287 60.941 61.300 -0.119 0.000 1.202 347 I CB 0.747 38.689 38.000 -0.096 0.000 1.386 347 I HN 0.466 nan 8.210 nan 0.000 0.475 348 G N 5.513 114.272 108.800 -0.068 0.000 2.599 348 G HA2 -0.325 3.685 3.960 0.083 0.000 0.219 348 G HA3 -0.325 3.685 3.960 0.083 0.000 0.219 348 G C 1.439 176.262 174.900 -0.128 0.000 1.193 348 G CA 0.993 46.011 45.100 -0.137 0.000 0.778 348 G HN 0.607 nan 8.290 nan 0.000 0.589 349 I N 0.787 121.326 120.570 -0.052 0.000 2.264 349 I HA -0.090 4.130 4.170 0.083 0.000 0.248 349 I C 2.785 178.851 176.117 -0.086 0.000 1.111 349 I CA 1.201 62.469 61.300 -0.052 0.000 1.382 349 I CB -0.227 37.764 38.000 -0.015 0.000 1.060 349 I HN 0.119 nan 8.210 nan 0.000 0.418 350 R N -0.586 119.847 120.500 -0.112 0.000 2.090 350 R HA -0.070 4.320 4.340 0.083 0.000 0.228 350 R C 2.152 178.342 176.300 -0.182 0.000 1.110 350 R CA 1.329 57.349 56.100 -0.133 0.000 0.973 350 R CB -0.581 29.636 30.300 -0.140 0.000 0.869 350 R HN 0.325 nan 8.270 nan 0.000 0.440 351 L N 1.172 122.246 121.223 -0.249 0.000 2.093 351 L HA -0.114 4.276 4.340 0.083 0.000 0.208 351 L C 1.986 178.745 176.870 -0.186 0.000 1.085 351 L CA 1.424 56.100 54.840 -0.274 0.000 0.755 351 L CB -0.426 41.418 42.059 -0.357 0.000 0.904 351 L HN 0.112 nan 8.230 nan 0.000 0.435 352 L N -0.381 120.747 121.223 -0.158 0.000 2.027 352 L HA -0.196 4.193 4.340 0.083 0.000 0.206 352 L C 2.527 179.343 176.870 -0.091 0.000 1.074 352 L CA 2.137 56.907 54.840 -0.117 0.000 0.745 352 L CB -1.012 40.988 42.059 -0.099 0.000 0.898 352 L HN 0.570 nan 8.230 nan 0.000 0.433 353 Q N -0.613 119.136 119.800 -0.085 0.000 2.124 353 Q HA -0.197 4.193 4.340 0.083 0.000 0.202 353 Q C 2.035 177.995 176.000 -0.067 0.000 0.977 353 Q CA 1.703 57.467 55.803 -0.066 0.000 0.850 353 Q CB -0.188 28.515 28.738 -0.059 0.000 0.901 353 Q HN 0.664 nan 8.270 nan 0.000 0.429 354 A N 0.314 123.083 122.820 -0.085 0.000 2.015 354 A HA -0.064 4.306 4.320 0.083 0.000 0.219 354 A C 1.815 179.357 177.584 -0.071 0.000 1.163 354 A CA 0.803 52.793 52.037 -0.078 0.000 0.646 354 A CB -0.253 18.687 19.000 -0.099 0.000 0.806 354 A HN 0.438 nan 8.150 nan 0.000 0.448 355 L N -0.392 120.784 121.223 -0.079 0.000 2.529 355 L HA 0.198 4.588 4.340 0.083 0.000 0.223 355 L C 0.319 177.156 176.870 -0.054 0.000 1.113 355 L CA -0.353 54.445 54.840 -0.070 0.000 0.861 355 L CB -0.183 41.827 42.059 -0.083 0.000 1.012 355 L HN 0.251 nan 8.230 nan 0.000 0.461 356 L N 2.405 123.597 121.223 -0.050 0.000 2.525 356 L HA 0.064 4.454 4.340 0.083 0.000 0.278 356 L C -1.077 175.773 176.870 -0.033 0.000 1.218 356 L CA -1.201 53.615 54.840 -0.039 0.000 0.878 356 L CB -0.043 41.995 42.059 -0.036 0.000 1.127 356 L HN 0.049 nan 8.230 nan 0.000 0.492 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 357 P CB 0.000 31.689 31.700 -0.019 0.000 0.726