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 2q5j_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLAEALLRA LKDRGAQAMF GIPGDFALPF FKVAEETQIL PLHTLSHEPA DATA SEQUENCE VGFAADAAAR YSSTLGVAAV TYGAGAFNMV NAVAGAYAEK SPVVVISGAP DATA SEQUENCE GTTEXXXXXX XXXXXXXXXT QFQVFKEITV AQARLDDPAK APAEIARVLG DATA SEQUENCE AARAQSRPVY LEIPRNMVNA EVEPVGDDPA WPVDRDALAA CADEVLAAMR DATA SEQUENCE SATSPVLMVC VEVRRYGLEA KVAELAQRLG VPVVTTFMGR GLLADAPTPP DATA SEQUENCE LGTYIGVAGD AEITRLVEES DGLFLLGAIL SDTNFAVSQR KIDLRKTIHA DATA SEQUENCE FDRAVTLGYH TYADIPLAGL VDALLERLPP SDRTTRGKEP HAYPTGLQAD DATA SEQUENCE GEPIAPMDIA RAVNDRVRAG QEPLLIAADM GDCLFTAMDM IDAGLMAPGY DATA SEQUENCE YAGMGFGVPA GIGAQCVSGG KRILTVVGDG AFQMTGWELG NCRRLGIDPI DATA SEQUENCE VILFNNASWE MLRTFQPESA FNDLDDWRFA DMAAGMGGDG VRVRTRAELK DATA SEQUENCE AALDKAFATR GRFQLIEAMI PRGVLSDTLA RFVQGQKR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 K N 2.605 123.007 120.400 0.004 0.000 2.188 2 K HA 0.116 4.434 4.320 -0.004 0.000 0.246 2 K C 0.765 177.374 176.600 0.015 0.000 1.026 2 K CA -0.196 56.098 56.287 0.011 0.000 0.871 2 K CB 0.707 33.216 32.500 0.016 0.000 1.042 2 K HN 0.732 nan 8.250 nan 0.000 0.509 3 L N 1.036 122.272 121.223 0.022 0.000 2.068 3 L HA -0.115 4.222 4.340 -0.004 0.000 0.204 3 L C 2.269 179.163 176.870 0.040 0.000 1.076 3 L CA 1.476 56.327 54.840 0.019 0.000 0.753 3 L CB -0.406 41.658 42.059 0.008 0.000 0.910 3 L HN 0.861 nan 8.230 nan 0.000 0.439 4 A N -0.122 122.751 122.820 0.088 0.000 1.873 4 A HA -0.332 3.985 4.320 -0.004 0.000 0.218 4 A C 2.137 179.785 177.584 0.107 0.000 1.193 4 A CA 2.172 54.323 52.037 0.189 0.000 0.629 4 A CB -0.894 18.272 19.000 0.276 0.000 0.826 4 A HN 0.610 nan 8.150 nan 0.000 0.447 5 E N -0.484 119.743 120.200 0.045 0.000 2.065 5 E HA -0.236 4.111 4.350 -0.004 0.000 0.201 5 E C 2.201 178.807 176.600 0.010 0.000 1.016 5 E CA 1.428 57.833 56.400 0.008 0.000 0.818 5 E CB -0.303 29.396 29.700 -0.003 0.000 0.749 5 E HN 0.575 nan 8.360 nan 0.000 0.453 6 A N 0.599 123.426 122.820 0.013 0.000 1.940 6 A HA -0.190 4.128 4.320 -0.004 0.000 0.219 6 A C 2.089 179.677 177.584 0.006 0.000 1.176 6 A CA 1.393 53.433 52.037 0.006 0.000 0.631 6 A CB -0.575 18.427 19.000 0.003 0.000 0.814 6 A HN 0.369 nan 8.150 nan 0.000 0.446 7 L N -0.341 120.892 121.223 0.016 0.000 2.005 7 L HA -0.045 4.292 4.340 -0.004 0.000 0.207 7 L C 2.294 179.173 176.870 0.016 0.000 1.072 7 L CA 1.640 56.486 54.840 0.010 0.000 0.744 7 L CB -0.668 41.395 42.059 0.006 0.000 0.895 7 L HN 0.389 nan 8.230 nan 0.000 0.433 8 L N -0.642 120.600 121.223 0.031 0.000 2.013 8 L HA -0.266 4.071 4.340 -0.004 0.000 0.212 8 L C 2.844 179.706 176.870 -0.013 0.000 1.073 8 L CA 1.752 56.595 54.840 0.003 0.000 0.753 8 L CB -0.528 41.517 42.059 -0.023 0.000 0.890 8 L HN 0.305 nan 8.230 nan 0.000 0.432 9 R N -0.230 120.264 120.500 -0.011 0.000 2.062 9 R HA -0.162 4.176 4.340 -0.004 0.000 0.231 9 R C 2.410 178.705 176.300 -0.008 0.000 1.136 9 R CA 1.417 57.509 56.100 -0.013 0.000 0.948 9 R CB -0.377 29.917 30.300 -0.011 0.000 0.845 9 R HN 0.352 nan 8.270 nan 0.000 0.430 10 A N 1.032 123.850 122.820 -0.004 0.000 1.958 10 A HA -0.213 4.105 4.320 -0.004 0.000 0.221 10 A C 2.172 179.755 177.584 -0.002 0.000 1.178 10 A CA 1.509 53.545 52.037 -0.002 0.000 0.642 10 A CB -0.656 18.343 19.000 -0.001 0.000 0.816 10 A HN 0.350 nan 8.150 nan 0.000 0.453 11 L N -1.107 120.113 121.223 -0.004 0.000 2.027 11 L HA -0.172 4.165 4.340 -0.004 0.000 0.206 11 L C 2.656 179.523 176.870 -0.006 0.000 1.074 11 L CA 1.912 56.750 54.840 -0.004 0.000 0.745 11 L CB -0.393 41.663 42.059 -0.006 0.000 0.898 11 L HN 0.498 nan 8.230 nan 0.000 0.433 12 K N 0.120 120.513 120.400 -0.013 0.000 2.103 12 K HA -0.221 4.096 4.320 -0.004 0.000 0.207 12 K C 1.611 178.207 176.600 -0.006 0.000 1.048 12 K CA 1.848 58.126 56.287 -0.014 0.000 0.930 12 K CB -0.017 32.469 32.500 -0.023 0.000 0.716 12 K HN 0.240 nan 8.250 nan 0.000 0.444 13 D N 0.496 120.893 120.400 -0.004 0.000 2.182 13 D HA -0.145 4.493 4.640 -0.004 0.000 0.201 13 D C 1.376 177.678 176.300 0.003 0.000 0.986 13 D CA 1.122 55.122 54.000 -0.000 0.000 0.847 13 D CB -0.061 40.739 40.800 -0.000 0.000 0.942 13 D HN 0.279 nan 8.370 nan 0.000 0.467 14 R N -0.569 119.934 120.500 0.005 0.000 2.335 14 R HA 0.252 4.590 4.340 -0.004 0.000 0.223 14 R C 1.142 177.450 176.300 0.013 0.000 0.940 14 R CA 0.500 56.605 56.100 0.008 0.000 1.086 14 R CB 0.493 30.798 30.300 0.009 0.000 1.073 14 R HN 0.225 nan 8.270 nan 0.000 0.504 15 G N 0.111 108.918 108.800 0.013 0.000 2.284 15 G HA2 -0.248 3.709 3.960 -0.004 0.000 0.201 15 G HA3 -0.248 3.709 3.960 -0.004 0.000 0.201 15 G C 0.322 175.235 174.900 0.022 0.000 0.998 15 G CA -0.328 44.785 45.100 0.020 0.000 0.651 15 G HN 0.465 nan 8.290 nan 0.000 0.489 16 A N 0.226 123.054 122.820 0.013 0.000 2.608 16 A HA 0.377 4.694 4.320 -0.004 0.000 0.239 16 A C 1.090 178.672 177.584 -0.003 0.000 1.018 16 A CA 1.848 53.887 52.037 0.004 0.000 0.766 16 A CB 0.056 19.048 19.000 -0.013 0.000 0.928 16 A HN 0.643 nan 8.150 nan 0.000 0.512 17 Q N 0.396 120.194 119.800 -0.004 0.000 2.211 17 Q HA 0.466 4.803 4.340 -0.004 0.000 0.242 17 Q C 0.239 176.203 176.000 -0.061 0.000 0.825 17 Q CA 0.672 56.470 55.803 -0.008 0.000 0.951 17 Q CB 0.750 29.510 28.738 0.036 0.000 1.130 17 Q HN 1.125 nan 8.270 nan 0.000 0.496 18 A N 0.722 123.466 122.820 -0.127 0.000 2.456 18 A HA 0.667 4.985 4.320 -0.004 0.000 0.294 18 A C -2.049 175.317 177.584 -0.363 0.000 1.057 18 A CA -0.704 51.166 52.037 -0.278 0.000 0.623 18 A CB 0.886 19.707 19.000 -0.297 0.000 1.338 18 A HN 0.111 nan 8.150 nan 0.000 0.464 19 M N 0.684 119.988 119.600 -0.493 0.000 2.165 19 M HA 0.753 5.231 4.480 -0.004 0.000 0.283 19 M C -2.264 173.821 176.300 -0.359 0.000 0.978 19 M CA -0.123 54.967 55.300 -0.351 0.000 0.948 19 M CB 0.802 33.257 32.600 -0.242 0.000 1.599 19 M HN 0.482 nan 8.290 nan 0.000 0.450 20 F N 3.339 123.342 119.950 0.089 0.000 2.420 20 F HA 0.922 5.447 4.527 -0.004 0.000 0.342 20 F C 0.825 176.713 175.800 0.147 0.000 1.113 20 F CA -0.293 57.785 58.000 0.131 0.000 1.059 20 F CB 1.802 40.867 39.000 0.107 0.000 1.128 20 F HN 0.701 nan 8.300 nan 0.000 0.475 21 G N 2.368 111.400 108.800 0.386 0.000 2.550 21 G HA2 0.715 4.672 3.960 -0.004 0.000 0.293 21 G HA3 0.715 4.672 3.960 -0.004 0.000 0.293 21 G C -1.985 173.141 174.900 0.376 0.000 1.402 21 G CA -0.733 44.621 45.100 0.424 0.000 0.784 21 G HN 0.492 nan 8.290 nan 0.000 0.482 22 I N 2.045 122.801 120.570 0.311 0.000 2.611 22 I HA 0.288 4.455 4.170 -0.004 0.000 0.287 22 I C -2.272 173.739 176.117 -0.176 0.000 1.184 22 I CA -1.646 59.684 61.300 0.050 0.000 1.054 22 I CB 3.051 41.100 38.000 0.081 0.000 1.257 22 I HN 0.341 nan 8.210 nan 0.000 0.435 23 P HA 0.373 nan 4.420 nan 0.000 0.274 23 P C -0.155 176.978 177.300 -0.279 0.000 1.264 23 P CA 0.185 62.830 63.100 -0.759 0.000 0.795 23 P CB 1.181 32.361 31.700 -0.867 0.000 1.064 24 G N -1.120 107.554 108.800 -0.211 0.000 2.368 24 G HA2 0.179 4.136 3.960 -0.004 0.000 0.293 24 G HA3 0.179 4.136 3.960 -0.004 0.000 0.293 24 G C -0.225 174.591 174.900 -0.140 0.000 1.467 24 G CA -0.397 44.628 45.100 -0.124 0.000 0.804 24 G HN 0.301 nan 8.290 nan 0.000 0.535 25 D N -0.078 120.177 120.400 -0.240 0.000 2.355 25 D HA -0.240 4.397 4.640 -0.004 0.000 0.192 25 D C 2.063 178.228 176.300 -0.226 0.000 1.014 25 D CA 2.536 56.332 54.000 -0.341 0.000 0.862 25 D CB -0.301 40.106 40.800 -0.654 0.000 0.986 25 D HN 0.405 nan 8.370 nan 0.000 0.456 26 F N 0.460 120.448 119.950 0.064 0.000 2.216 26 F HA -0.052 4.473 4.527 -0.005 0.000 0.300 26 F C 2.529 178.412 175.800 0.140 0.000 1.085 26 F CA 0.530 58.574 58.000 0.075 0.000 1.326 26 F CB -0.289 38.746 39.000 0.058 0.000 1.027 26 F HN -0.025 nan 8.300 nan 0.000 0.497 27 A N 0.853 123.859 122.820 0.310 0.000 1.898 27 A HA -0.096 4.222 4.320 -0.004 0.000 0.216 27 A C 2.152 180.008 177.584 0.454 0.000 1.181 27 A CA 1.033 53.335 52.037 0.442 0.000 0.620 27 A CB -1.040 18.146 19.000 0.311 0.000 0.819 27 A HN 0.343 nan 8.150 nan 0.000 0.442 28 L N -0.484 120.838 121.223 0.165 0.000 2.026 28 L HA -0.281 4.056 4.340 -0.004 0.000 0.231 28 L C -0.257 176.735 176.870 0.203 0.000 1.095 28 L CA 2.569 57.480 54.840 0.117 0.000 0.810 28 L CB -1.745 40.330 42.059 0.026 0.000 0.909 28 L HN 0.247 nan 8.230 nan 0.000 0.444 29 P HA -0.233 nan 4.420 nan 0.000 0.216 29 P C 1.503 178.932 177.300 0.215 0.000 1.153 29 P CA 1.498 64.700 63.100 0.170 0.000 0.858 29 P CB -0.102 31.695 31.700 0.161 0.000 0.789 30 F N -0.749 119.293 119.950 0.153 0.000 2.113 30 F HA -0.127 4.397 4.527 -0.004 0.000 0.297 30 F C 1.890 177.721 175.800 0.052 0.000 1.103 30 F CA 1.276 59.327 58.000 0.085 0.000 1.248 30 F CB -1.054 37.990 39.000 0.073 0.000 0.999 30 F HN -0.218 nan 8.300 nan 0.000 0.475 31 F N 1.066 120.877 119.950 -0.233 0.000 2.216 31 F HA -0.115 4.409 4.527 -0.005 0.000 0.300 31 F C 2.532 178.177 175.800 -0.258 0.000 1.085 31 F CA 1.664 59.460 58.000 -0.340 0.000 1.326 31 F CB -0.921 38.004 39.000 -0.124 0.000 1.027 31 F HN -0.032 nan 8.300 nan 0.000 0.497 32 K N 0.485 120.897 120.400 0.021 0.000 2.009 32 K HA -0.177 4.141 4.320 -0.004 0.000 0.210 32 K C 2.108 178.655 176.600 -0.088 0.000 1.049 32 K CA 1.767 58.046 56.287 -0.014 0.000 0.929 32 K CB -0.488 32.021 32.500 0.015 0.000 0.714 32 K HN 0.077 nan 8.250 nan 0.000 0.440 33 V N 1.432 121.271 119.914 -0.125 0.000 2.219 33 V HA -0.332 3.785 4.120 -0.004 0.000 0.248 33 V C 2.461 178.419 176.094 -0.225 0.000 1.053 33 V CA 2.118 64.333 62.300 -0.142 0.000 1.009 33 V CB -0.977 30.778 31.823 -0.114 0.000 0.636 33 V HN 0.595 nan 8.190 nan 0.000 0.445 34 A N -0.500 122.062 122.820 -0.429 0.000 1.873 34 A HA -0.411 3.906 4.320 -0.004 0.000 0.219 34 A C 2.261 179.683 177.584 -0.271 0.000 1.269 34 A CA 2.807 54.566 52.037 -0.465 0.000 0.671 34 A CB -0.995 17.528 19.000 -0.796 0.000 0.842 34 A HN 0.667 nan 8.150 nan 0.000 0.460 35 E N -0.451 119.624 120.200 -0.209 0.000 2.065 35 E HA -0.272 4.075 4.350 -0.004 0.000 0.201 35 E C 2.004 178.542 176.600 -0.103 0.000 1.016 35 E CA 1.775 58.102 56.400 -0.121 0.000 0.818 35 E CB -0.173 29.493 29.700 -0.056 0.000 0.749 35 E HN 0.797 nan 8.360 nan 0.000 0.453 36 E N -0.391 119.753 120.200 -0.093 0.000 1.998 36 E HA -0.176 4.171 4.350 -0.004 0.000 0.196 36 E C 2.252 178.807 176.600 -0.074 0.000 1.003 36 E CA 1.825 58.183 56.400 -0.070 0.000 0.829 36 E CB -0.498 29.169 29.700 -0.055 0.000 0.777 36 E HN 0.434 nan 8.360 nan 0.000 0.460 37 T N -0.333 114.171 114.554 -0.084 0.000 2.882 37 T HA -0.261 4.086 4.350 -0.004 0.000 0.268 37 T C 1.105 175.757 174.700 -0.079 0.000 1.104 37 T CA 1.131 63.186 62.100 -0.075 0.000 1.118 37 T CB -0.275 68.546 68.868 -0.079 0.000 0.831 37 T HN 0.077 nan 8.240 nan 0.000 0.529 38 Q N -0.435 119.306 119.800 -0.098 0.000 2.397 38 Q HA -0.236 4.102 4.340 -0.004 0.000 0.253 38 Q C 1.280 177.222 176.000 -0.096 0.000 1.026 38 Q CA 0.971 56.713 55.803 -0.101 0.000 1.066 38 Q CB -2.116 26.576 28.738 -0.076 0.000 1.553 38 Q HN 0.731 nan 8.270 nan 0.000 0.538 39 I N -0.709 119.804 120.570 -0.095 0.000 2.151 39 I HA -0.239 3.929 4.170 -0.004 0.000 0.243 39 I C 1.332 177.394 176.117 -0.092 0.000 1.080 39 I CA 1.351 62.604 61.300 -0.079 0.000 1.339 39 I CB 0.006 37.964 38.000 -0.070 0.000 1.039 39 I HN 0.109 nan 8.210 nan 0.000 0.409 40 L N -0.393 120.753 121.223 -0.127 0.000 2.341 40 L HA 0.421 4.758 4.340 -0.004 0.000 0.267 40 L C -2.507 174.232 176.870 -0.218 0.000 1.009 40 L CA -1.991 52.756 54.840 -0.154 0.000 0.819 40 L CB 1.675 43.640 42.059 -0.156 0.000 1.323 40 L HN -0.274 nan 8.230 nan 0.000 0.425 41 P HA 0.133 nan 4.420 nan 0.000 0.276 41 P C -0.903 176.035 177.300 -0.604 0.000 1.235 41 P CA -0.266 62.575 63.100 -0.433 0.000 0.772 41 P CB 0.691 32.113 31.700 -0.463 0.000 0.871 42 L N 5.607 126.538 121.223 -0.486 0.000 2.288 42 L HA 0.253 4.590 4.340 -0.004 0.000 0.283 42 L C -0.418 176.283 176.870 -0.281 0.000 1.072 42 L CA -0.191 54.437 54.840 -0.353 0.000 0.862 42 L CB -0.624 41.322 42.059 -0.189 0.000 1.245 42 L HN 0.376 nan 8.230 nan 0.000 0.432 43 H N 2.813 121.838 119.070 -0.074 0.000 2.594 43 H HA 0.369 4.922 4.556 -0.004 0.000 0.304 43 H C 0.184 175.624 175.328 0.188 0.000 1.068 43 H CA -0.279 55.803 56.048 0.056 0.000 1.308 43 H CB 0.768 30.577 29.762 0.079 0.000 1.409 43 H HN 0.575 nan 8.280 nan 0.000 0.460 44 T N 1.753 116.474 114.554 0.278 0.000 2.928 44 T HA 0.673 5.020 4.350 -0.004 0.000 0.284 44 T C 0.543 175.366 174.700 0.205 0.000 1.008 44 T CA -0.765 61.477 62.100 0.236 0.000 1.057 44 T CB 1.385 70.348 68.868 0.158 0.000 1.018 44 T HN 0.340 nan 8.240 nan 0.000 0.493 45 L N 0.395 121.721 121.223 0.172 0.000 2.348 45 L HA 0.500 4.837 4.340 -0.004 0.000 0.258 45 L C 1.351 178.283 176.870 0.104 0.000 1.208 45 L CA -1.108 53.806 54.840 0.124 0.000 1.241 45 L CB 1.130 43.253 42.059 0.106 0.000 1.742 45 L HN 0.733 nan 8.230 nan 0.000 0.544 46 S N -2.816 112.945 115.700 0.101 0.000 2.517 46 S HA 0.119 4.587 4.470 -0.004 0.000 0.228 46 S C 0.125 174.811 174.600 0.143 0.000 1.060 46 S CA 0.219 58.476 58.200 0.095 0.000 0.937 46 S CB 0.242 63.490 63.200 0.081 0.000 0.840 46 S HN 0.449 nan 8.310 nan 0.000 0.546 47 H N 0.347 119.450 119.070 0.056 0.000 2.538 47 H HA 0.271 4.824 4.556 -0.004 0.000 0.353 47 H C 0.250 175.607 175.328 0.048 0.000 1.109 47 H CA -0.596 55.486 56.048 0.057 0.000 1.192 47 H CB 1.442 31.248 29.762 0.073 0.000 1.555 47 H HN -0.019 nan 8.280 nan 0.000 0.518 48 E N 3.277 123.543 120.200 0.111 0.000 2.086 48 E HA -0.204 4.143 4.350 -0.004 0.000 0.205 48 E C -1.160 175.377 176.600 -0.106 0.000 1.027 48 E CA 2.052 58.454 56.400 0.003 0.000 0.830 48 E CB -1.023 28.673 29.700 -0.005 0.000 0.751 48 E HN 0.598 nan 8.360 nan 0.000 0.456 49 P HA -0.288 nan 4.420 nan 0.000 0.215 49 P C 1.129 178.239 177.300 -0.317 0.000 1.163 49 P CA 2.419 65.311 63.100 -0.347 0.000 0.894 49 P CB -0.164 31.449 31.700 -0.145 0.000 0.791 50 A N -0.675 122.158 122.820 0.021 0.000 1.869 50 A HA -0.248 4.069 4.320 -0.004 0.000 0.218 50 A C 2.386 179.945 177.584 -0.041 0.000 1.203 50 A CA 2.575 54.671 52.037 0.098 0.000 0.638 50 A CB -1.883 17.159 19.000 0.069 0.000 0.831 50 A HN 0.052 nan 8.150 nan 0.000 0.450 51 V N -0.129 119.764 119.914 -0.035 0.000 2.317 51 V HA -0.276 3.841 4.120 -0.004 0.000 0.251 51 V C 2.763 178.819 176.094 -0.064 0.000 1.065 51 V CA 2.258 64.552 62.300 -0.009 0.000 1.049 51 V CB -1.518 30.358 31.823 0.090 0.000 0.651 51 V HN 0.679 nan 8.190 nan 0.000 0.450 52 G N -1.036 107.670 108.800 -0.156 0.000 2.402 52 G HA2 -0.194 3.763 3.960 -0.004 0.000 0.216 52 G HA3 -0.194 3.763 3.960 -0.004 0.000 0.216 52 G C 1.380 176.176 174.900 -0.174 0.000 1.162 52 G CA 0.746 45.729 45.100 -0.194 0.000 0.777 52 G HN 0.451 nan 8.290 nan 0.000 0.539 53 F N 1.836 121.742 119.950 -0.073 0.000 2.146 53 F HA 0.128 4.652 4.527 -0.005 0.000 0.298 53 F C 3.027 178.633 175.800 -0.323 0.000 1.096 53 F CA 0.493 58.400 58.000 -0.156 0.000 1.275 53 F CB -0.882 37.965 39.000 -0.254 0.000 1.008 53 F HN 0.242 nan 8.300 nan 0.000 0.480 54 A N 0.305 122.982 122.820 -0.239 0.000 1.865 54 A HA -0.115 4.202 4.320 -0.004 0.000 0.217 54 A C 2.479 179.719 177.584 -0.574 0.000 1.191 54 A CA 2.192 53.860 52.037 -0.614 0.000 0.623 54 A CB -1.426 16.964 19.000 -1.017 0.000 0.826 54 A HN 0.308 nan 8.150 nan 0.000 0.444 55 A N -0.227 122.414 122.820 -0.298 0.000 1.908 55 A HA -0.254 4.064 4.320 -0.004 0.000 0.218 55 A C 1.927 179.597 177.584 0.142 0.000 1.181 55 A CA 2.272 54.417 52.037 0.181 0.000 0.627 55 A CB -0.690 18.459 19.000 0.250 0.000 0.818 55 A HN 0.565 nan 8.150 nan 0.000 0.445 56 D N 0.001 120.457 120.400 0.094 0.000 2.097 56 D HA -0.086 4.552 4.640 -0.004 0.000 0.195 56 D C 2.133 178.535 176.300 0.170 0.000 0.989 56 D CA 1.792 55.889 54.000 0.162 0.000 0.827 56 D CB -0.375 40.587 40.800 0.270 0.000 0.966 56 D HN 0.320 nan 8.370 nan 0.000 0.456 57 A N 1.072 123.945 122.820 0.089 0.000 1.865 57 A HA -0.040 4.277 4.320 -0.004 0.000 0.217 57 A C 2.507 180.171 177.584 0.134 0.000 1.191 57 A CA 2.954 55.038 52.037 0.078 0.000 0.623 57 A CB -1.281 17.634 19.000 -0.141 0.000 0.826 57 A HN 0.347 nan 8.150 nan 0.000 0.444 58 A N -0.072 122.823 122.820 0.124 0.000 1.896 58 A HA -0.050 4.267 4.320 -0.004 0.000 0.220 58 A C 2.576 180.292 177.584 0.220 0.000 1.206 58 A CA 3.128 55.299 52.037 0.223 0.000 0.647 58 A CB -1.360 17.905 19.000 0.442 0.000 0.828 58 A HN 1.288 nan 8.150 nan 0.000 0.455 59 A N -0.329 122.602 122.820 0.186 0.000 1.851 59 A HA -0.231 4.086 4.320 -0.004 0.000 0.216 59 A C 2.222 179.882 177.584 0.126 0.000 1.195 59 A CA 1.878 53.999 52.037 0.140 0.000 0.622 59 A CB -0.647 18.420 19.000 0.111 0.000 0.831 59 A HN 0.609 nan 8.150 nan 0.000 0.444 60 R N -2.151 118.427 120.500 0.129 0.000 2.096 60 R HA -0.228 4.109 4.340 -0.004 0.000 0.240 60 R C 2.172 178.531 176.300 0.098 0.000 1.139 60 R CA 1.850 58.007 56.100 0.095 0.000 0.952 60 R CB -0.840 29.531 30.300 0.120 0.000 0.854 60 R HN 0.664 nan 8.270 nan 0.000 0.436 61 Y N 1.638 121.962 120.300 0.040 0.000 2.069 61 Y HA -0.278 4.269 4.550 -0.005 0.000 0.278 61 Y C 1.756 177.669 175.900 0.021 0.000 1.175 61 Y CA 2.062 60.180 58.100 0.029 0.000 1.134 61 Y CB -0.019 38.464 38.460 0.038 0.000 0.965 61 Y HN -0.068 nan 8.280 nan 0.000 0.498 62 S N -0.203 115.615 115.700 0.198 0.000 2.622 62 S HA 0.091 4.559 4.470 -0.004 0.000 0.236 62 S C 0.387 175.009 174.600 0.036 0.000 0.956 62 S CA 0.487 58.748 58.200 0.101 0.000 0.971 62 S CB -0.222 63.081 63.200 0.172 0.000 0.782 62 S HN 0.401 nan 8.310 nan 0.000 0.468 63 S N 1.868 117.574 115.700 0.010 0.000 3.348 63 S HA -0.156 4.311 4.470 -0.004 0.000 0.366 63 S C 0.345 174.951 174.600 0.010 0.000 0.953 63 S CA 1.103 59.296 58.200 -0.012 0.000 1.255 63 S CB -1.261 61.915 63.200 -0.039 0.000 0.906 63 S HN 0.745 nan 8.310 nan 0.000 0.495 64 T N -0.745 113.831 114.554 0.035 0.000 2.565 64 T HA 0.705 5.053 4.350 -0.004 0.000 0.266 64 T C -0.724 174.004 174.700 0.046 0.000 0.905 64 T CA -0.804 61.320 62.100 0.041 0.000 1.122 64 T CB 0.606 69.506 68.868 0.053 0.000 1.437 64 T HN 0.206 nan 8.240 nan 0.000 0.506 65 L N 1.264 122.516 121.223 0.048 0.000 2.334 65 L HA 0.668 5.005 4.340 -0.004 0.000 0.277 65 L C 0.896 177.811 176.870 0.075 0.000 1.075 65 L CA -0.731 54.140 54.840 0.051 0.000 0.804 65 L CB 1.202 43.283 42.059 0.036 0.000 1.174 65 L HN 0.785 nan 8.230 nan 0.000 0.438 66 G N 1.498 110.353 108.800 0.091 0.000 2.471 66 G HA2 0.644 4.602 3.960 -0.004 0.000 0.332 66 G HA3 0.644 4.602 3.960 -0.004 0.000 0.332 66 G C -1.303 173.667 174.900 0.117 0.000 1.176 66 G CA -0.380 44.802 45.100 0.136 0.000 0.949 66 G HN 0.323 nan 8.290 nan 0.000 0.488 67 V N 0.316 120.320 119.914 0.150 0.000 2.532 67 V HA 0.641 4.759 4.120 -0.004 0.000 0.294 67 V C -0.042 176.151 176.094 0.165 0.000 1.036 67 V CA -0.803 61.561 62.300 0.106 0.000 0.876 67 V CB 1.218 33.062 31.823 0.035 0.000 1.012 67 V HN 1.172 nan 8.190 nan 0.000 0.432 68 A N 3.800 126.707 122.820 0.145 0.000 2.303 68 A HA 0.935 5.253 4.320 -0.004 0.000 0.320 68 A C 0.075 177.742 177.584 0.137 0.000 1.192 68 A CA -0.233 51.908 52.037 0.173 0.000 0.821 68 A CB 1.318 20.402 19.000 0.141 0.000 1.188 68 A HN 1.401 nan 8.150 nan 0.000 0.492 69 A N 2.686 125.623 122.820 0.195 0.000 2.267 69 A HA 0.653 4.971 4.320 -0.004 0.000 0.315 69 A C 0.122 177.940 177.584 0.389 0.000 1.297 69 A CA -0.178 52.000 52.037 0.235 0.000 0.865 69 A CB 0.218 19.309 19.000 0.150 0.000 1.165 69 A HN 2.016 nan 8.150 nan 0.000 0.513 70 V N 0.114 120.194 119.914 0.277 0.000 3.204 70 V HA 0.924 5.041 4.120 -0.004 0.000 0.316 70 V C 0.125 176.377 176.094 0.264 0.000 1.160 70 V CA -0.325 62.125 62.300 0.250 0.000 1.044 70 V CB 1.349 33.258 31.823 0.144 0.000 1.136 70 V HN 0.850 nan 8.190 nan 0.000 0.455 71 T N -0.852 113.823 114.554 0.201 0.000 2.950 71 T HA 0.542 4.890 4.350 -0.004 0.000 0.288 71 T C -0.976 173.867 174.700 0.238 0.000 1.035 71 T CA -0.379 61.862 62.100 0.235 0.000 1.028 71 T CB 1.183 70.147 68.868 0.159 0.000 1.109 71 T HN 0.772 nan 8.240 nan 0.000 0.514 72 Y N 2.235 122.672 120.300 0.227 0.000 2.597 72 Y HA 0.388 4.936 4.550 -0.004 0.000 0.336 72 Y C 1.243 177.224 175.900 0.135 0.000 1.216 72 Y CA 1.849 60.057 58.100 0.179 0.000 1.463 72 Y CB -0.144 38.484 38.460 0.281 0.000 1.303 72 Y HN 1.187 nan 8.280 nan 0.000 0.576 73 G N 2.967 111.463 108.800 -0.506 0.000 2.527 73 G HA2 -0.312 3.646 3.960 -0.004 0.000 0.262 73 G HA3 -0.312 3.646 3.960 -0.004 0.000 0.262 73 G C 1.083 175.937 174.900 -0.076 0.000 1.153 73 G CA 0.500 45.425 45.100 -0.291 0.000 0.954 73 G HN 1.447 nan 8.290 nan 0.000 0.552 74 A N -0.151 122.759 122.820 0.151 0.000 1.915 74 A HA 0.076 4.393 4.320 -0.004 0.000 0.220 74 A C 3.122 180.793 177.584 0.145 0.000 1.198 74 A CA 3.744 55.901 52.037 0.201 0.000 0.647 74 A CB -1.408 17.685 19.000 0.155 0.000 0.825 74 A HN 2.363 nan 8.150 nan 0.000 0.456 75 G N -0.786 108.072 108.800 0.096 0.000 2.511 75 G HA2 -0.055 3.902 3.960 -0.004 0.000 0.216 75 G HA3 -0.055 3.902 3.960 -0.004 0.000 0.216 75 G C 1.838 176.786 174.900 0.079 0.000 1.218 75 G CA 1.930 47.085 45.100 0.092 0.000 0.788 75 G HN 0.968 nan 8.290 nan 0.000 0.560 76 A N 0.238 123.065 122.820 0.011 0.000 1.883 76 A HA 0.076 4.394 4.320 -0.004 0.000 0.217 76 A C 2.222 179.887 177.584 0.135 0.000 1.186 76 A CA 1.735 53.802 52.037 0.051 0.000 0.624 76 A CB -0.591 18.351 19.000 -0.096 0.000 0.822 76 A HN 0.263 nan 8.150 nan 0.000 0.444 77 F N 0.124 120.135 119.950 0.101 0.000 2.075 77 F HA -0.149 4.376 4.527 -0.004 0.000 0.297 77 F C 1.974 177.758 175.800 -0.028 0.000 1.113 77 F CA 1.503 59.501 58.000 -0.004 0.000 1.218 77 F CB -1.229 37.752 39.000 -0.032 0.000 0.984 77 F HN 0.304 nan 8.300 nan 0.000 0.472 78 N N -0.259 118.557 118.700 0.194 0.000 2.696 78 N HA -0.181 4.556 4.740 -0.004 0.000 0.196 78 N C 1.172 176.668 175.510 -0.024 0.000 1.220 78 N CA 0.562 53.647 53.050 0.057 0.000 0.940 78 N CB -0.290 38.228 38.487 0.050 0.000 0.999 78 N HN 0.340 nan 8.380 nan 0.000 0.447 79 M N -1.327 118.288 119.600 0.025 0.000 2.410 79 M HA 0.139 4.617 4.480 -0.004 0.000 0.376 79 M C 0.277 176.566 176.300 -0.017 0.000 1.051 79 M CA -0.007 55.278 55.300 -0.026 0.000 0.949 79 M CB 0.570 33.188 32.600 0.030 0.000 1.577 79 M HN -0.090 nan 8.290 nan 0.000 0.560 80 V N 1.174 121.069 119.914 -0.031 0.000 2.343 80 V HA -0.252 3.865 4.120 -0.004 0.000 0.247 80 V C 2.001 178.040 176.094 -0.091 0.000 1.051 80 V CA 2.264 64.484 62.300 -0.134 0.000 1.036 80 V CB -1.085 30.617 31.823 -0.202 0.000 0.654 80 V HN 0.633 nan 8.190 nan 0.000 0.451 81 N N 1.206 119.877 118.700 -0.050 0.000 2.018 81 N HA -0.222 4.516 4.740 -0.004 0.000 0.196 81 N C 1.785 177.297 175.510 0.004 0.000 1.043 81 N CA 2.239 55.312 53.050 0.037 0.000 0.856 81 N CB -0.504 38.029 38.487 0.078 0.000 1.042 81 N HN 0.401 nan 8.380 nan 0.000 0.423 82 A N -0.041 122.661 122.820 -0.196 0.000 1.908 82 A HA -0.114 4.204 4.320 -0.004 0.000 0.218 82 A C 2.474 179.990 177.584 -0.114 0.000 1.181 82 A CA 1.974 53.815 52.037 -0.327 0.000 0.627 82 A CB -0.988 17.533 19.000 -0.798 0.000 0.818 82 A HN 0.222 nan 8.150 nan 0.000 0.445 83 V N -0.303 119.567 119.914 -0.074 0.000 2.515 83 V HA -0.211 3.906 4.120 -0.004 0.000 0.250 83 V C 2.967 179.045 176.094 -0.028 0.000 1.058 83 V CA 1.772 64.075 62.300 0.005 0.000 1.064 83 V CB -1.309 30.568 31.823 0.091 0.000 0.675 83 V HN 0.633 nan 8.190 nan 0.000 0.461 84 A N 0.943 123.699 122.820 -0.105 0.000 1.841 84 A HA -0.061 4.256 4.320 -0.004 0.000 0.214 84 A C 2.459 179.782 177.584 -0.435 0.000 1.195 84 A CA 1.843 53.779 52.037 -0.168 0.000 0.611 84 A CB -1.382 17.563 19.000 -0.092 0.000 0.835 84 A HN 0.506 nan 8.150 nan 0.000 0.443 85 G N -0.672 107.555 108.800 -0.956 0.000 2.462 85 G HA2 0.008 3.965 3.960 -0.004 0.000 0.220 85 G HA3 0.008 3.965 3.960 -0.004 0.000 0.220 85 G C 1.613 176.272 174.900 -0.402 0.000 1.121 85 G CA 1.519 45.791 45.100 -1.380 0.000 0.758 85 G HN 0.789 nan 8.290 nan 0.000 0.559 86 A N 0.206 122.929 122.820 -0.163 0.000 1.855 86 A HA -0.006 4.312 4.320 -0.004 0.000 0.215 86 A C 2.162 179.746 177.584 0.001 0.000 1.191 86 A CA 1.585 53.614 52.037 -0.013 0.000 0.613 86 A CB -0.784 18.246 19.000 0.050 0.000 0.829 86 A HN 0.443 nan 8.150 nan 0.000 0.442 87 Y N 0.824 121.072 120.300 -0.087 0.000 2.151 87 Y HA -0.203 4.344 4.550 -0.005 0.000 0.284 87 Y C 2.645 178.535 175.900 -0.017 0.000 1.166 87 Y CA 1.613 59.690 58.100 -0.038 0.000 1.163 87 Y CB -0.465 37.972 38.460 -0.039 0.000 0.974 87 Y HN 0.329 nan 8.280 nan 0.000 0.511 88 A N 0.250 123.131 122.820 0.102 0.000 1.883 88 A HA -0.242 4.075 4.320 -0.004 0.000 0.217 88 A C 1.782 179.411 177.584 0.074 0.000 1.186 88 A CA 2.037 54.135 52.037 0.102 0.000 0.624 88 A CB -0.710 18.334 19.000 0.072 0.000 0.822 88 A HN 0.615 nan 8.150 nan 0.000 0.444 89 E N -0.011 120.208 120.200 0.033 0.000 2.311 89 E HA 0.114 4.462 4.350 -0.004 0.000 0.198 89 E C -0.592 176.021 176.600 0.022 0.000 1.115 89 E CA -0.314 56.128 56.400 0.071 0.000 1.140 89 E CB 0.082 29.787 29.700 0.008 0.000 1.204 89 E HN 0.286 nan 8.360 nan 0.000 0.446 90 K N 0.117 120.493 120.400 -0.039 0.000 3.278 90 K HA -0.189 4.129 4.320 -0.004 0.000 0.270 90 K C -0.497 176.050 176.600 -0.089 0.000 0.955 90 K CA 0.460 56.686 56.287 -0.102 0.000 0.723 90 K CB -1.995 30.464 32.500 -0.068 0.000 1.382 90 K HN 0.120 nan 8.250 nan 0.000 0.461 91 S N 1.480 117.149 115.700 -0.052 0.000 2.566 91 S HA 0.336 4.803 4.470 -0.004 0.000 0.324 91 S C -2.249 172.355 174.600 0.007 0.000 1.081 91 S CA -1.505 56.688 58.200 -0.010 0.000 1.105 91 S CB 1.104 64.329 63.200 0.041 0.000 0.981 91 S HN 0.049 nan 8.310 nan 0.000 0.464 92 P HA 0.070 nan 4.420 nan 0.000 0.252 92 P C -0.576 176.757 177.300 0.055 0.000 1.694 92 P CA -0.091 63.023 63.100 0.023 0.000 1.163 92 P CB -0.123 31.582 31.700 0.008 0.000 1.934 93 V N 4.623 124.581 119.914 0.074 0.000 2.389 93 V HA 0.044 4.161 4.120 -0.004 0.000 0.264 93 V C 0.913 177.058 176.094 0.084 0.000 1.049 93 V CA -0.522 61.832 62.300 0.090 0.000 0.932 93 V CB 1.391 33.274 31.823 0.100 0.000 1.011 93 V HN 0.161 nan 8.190 nan 0.000 0.475 94 V N 6.909 126.863 119.914 0.066 0.000 2.415 94 V HA 0.107 4.224 4.120 -0.004 0.000 0.267 94 V C 0.325 176.434 176.094 0.026 0.000 1.042 94 V CA -0.107 62.216 62.300 0.038 0.000 1.000 94 V CB 1.171 33.004 31.823 0.017 0.000 1.015 94 V HN 0.616 nan 8.190 nan 0.000 0.478 95 V N 7.597 127.521 119.914 0.018 0.000 2.408 95 V HA 0.365 4.483 4.120 -0.004 0.000 0.267 95 V C 0.159 176.158 176.094 -0.158 0.000 1.047 95 V CA -0.141 62.152 62.300 -0.012 0.000 0.937 95 V CB 1.068 32.925 31.823 0.056 0.000 0.999 95 V HN 0.639 nan 8.190 nan 0.000 0.472 96 I N 4.433 124.914 120.570 -0.147 0.000 2.405 96 I HA 0.309 4.476 4.170 -0.004 0.000 0.280 96 I C 0.182 176.163 176.117 -0.226 0.000 1.027 96 I CA 0.068 61.202 61.300 -0.276 0.000 1.161 96 I CB 1.582 39.407 38.000 -0.290 0.000 1.300 96 I HN 0.592 nan 8.210 nan 0.000 0.463 97 S N 4.729 120.246 115.700 -0.305 0.000 2.429 97 S HA 0.623 5.090 4.470 -0.004 0.000 0.302 97 S C 0.277 174.825 174.600 -0.087 0.000 1.115 97 S CA -0.538 57.584 58.200 -0.130 0.000 1.095 97 S CB 0.998 64.136 63.200 -0.104 0.000 0.987 97 S HN 0.721 nan 8.310 nan 0.000 0.474 98 G N 2.875 111.719 108.800 0.072 0.000 2.569 98 G HA2 0.612 4.570 3.960 -0.004 0.000 0.249 98 G HA3 0.612 4.570 3.960 -0.004 0.000 0.249 98 G C -0.141 174.853 174.900 0.156 0.000 1.216 98 G CA 0.061 45.232 45.100 0.119 0.000 0.845 98 G HN 1.176 nan 8.290 nan 0.000 0.568 99 A N 1.992 124.794 122.820 -0.030 0.000 2.568 99 A HA 0.900 5.218 4.320 -0.004 0.000 0.291 99 A C -2.951 174.081 177.584 -0.920 0.000 1.159 99 A CA -1.291 50.481 52.037 -0.441 0.000 0.679 99 A CB 0.926 19.744 19.000 -0.304 0.000 1.285 99 A HN 0.522 nan 8.150 nan 0.000 0.428 100 P HA 0.252 nan 4.420 nan 0.000 0.269 100 P C 0.424 177.427 177.300 -0.496 0.000 1.211 100 P CA 0.633 63.058 63.100 -1.125 0.000 0.781 100 P CB 0.405 31.572 31.700 -0.888 0.000 0.877 101 G N 0.099 108.734 108.800 -0.276 0.000 2.544 101 G HA2 0.210 4.168 3.960 -0.004 0.000 0.242 101 G HA3 0.210 4.168 3.960 -0.004 0.000 0.242 101 G C 1.130 175.946 174.900 -0.140 0.000 1.247 101 G CA -0.071 44.947 45.100 -0.137 0.000 0.840 101 G HN 0.546 nan 8.290 nan 0.000 0.578 102 T N -2.072 112.421 114.554 -0.103 0.000 3.007 102 T HA -0.158 4.189 4.350 -0.004 0.000 0.270 102 T C 2.212 176.870 174.700 -0.069 0.000 1.107 102 T CA 1.846 63.892 62.100 -0.091 0.000 1.118 102 T CB -0.304 68.522 68.868 -0.071 0.000 0.889 102 T HN 0.671 nan 8.240 nan 0.000 0.506 103 T N -0.757 113.763 114.554 -0.055 0.000 3.044 103 T HA 0.159 4.506 4.350 -0.004 0.000 0.255 103 T C 0.796 175.473 174.700 -0.039 0.000 1.073 103 T CA -0.250 61.827 62.100 -0.038 0.000 1.125 103 T CB -0.221 68.633 68.868 -0.024 0.000 0.908 103 T HN 0.576 nan 8.240 nan 0.000 0.480 121 Q N 2.427 122.366 119.800 0.231 0.000 2.096 121 Q HA -0.111 4.226 4.340 -0.004 0.000 0.204 121 Q C 1.604 177.717 176.000 0.187 0.000 0.982 121 Q CA 1.885 57.738 55.803 0.083 0.000 0.850 121 Q CB -0.127 28.395 28.738 -0.359 0.000 0.901 121 Q HN 0.759 nan 8.270 nan 0.000 0.422 122 F N 0.732 120.754 119.950 0.120 0.000 2.171 122 F HA -0.226 4.299 4.527 -0.004 0.000 0.300 122 F C 2.313 178.151 175.800 0.062 0.000 1.090 122 F CA 1.295 59.361 58.000 0.110 0.000 1.293 122 F CB 0.127 39.232 39.000 0.175 0.000 1.013 122 F HN 0.146 nan 8.300 nan 0.000 0.486 123 Q N -0.189 119.800 119.800 0.315 0.000 2.224 123 Q HA -0.098 4.240 4.340 -0.004 0.000 0.203 123 Q C 2.432 178.463 176.000 0.052 0.000 0.970 123 Q CA 1.148 57.067 55.803 0.192 0.000 0.865 123 Q CB -0.607 28.225 28.738 0.156 0.000 0.922 123 Q HN 0.367 nan 8.270 nan 0.000 0.445 124 V N -0.200 119.722 119.914 0.013 0.000 2.302 124 V HA -0.164 3.953 4.120 -0.004 0.000 0.243 124 V C 1.904 177.830 176.094 -0.280 0.000 1.036 124 V CA 1.295 63.522 62.300 -0.121 0.000 1.020 124 V CB -0.693 31.067 31.823 -0.106 0.000 0.657 124 V HN 0.158 nan 8.190 nan 0.000 0.453 125 F N 1.574 121.308 119.950 -0.361 0.000 2.202 125 F HA -0.233 4.292 4.527 -0.004 0.000 0.301 125 F C 2.446 178.012 175.800 -0.389 0.000 1.082 125 F CA 2.053 59.743 58.000 -0.517 0.000 1.313 125 F CB -0.550 37.759 39.000 -1.152 0.000 1.024 125 F HN 0.228 nan 8.300 nan 0.000 0.495 126 K N 0.107 120.400 120.400 -0.178 0.000 2.281 126 K HA -0.193 4.125 4.320 -0.004 0.000 0.203 126 K C 1.288 177.833 176.600 -0.092 0.000 1.046 126 K CA 1.704 57.936 56.287 -0.092 0.000 0.938 126 K CB -0.381 32.124 32.500 0.009 0.000 0.737 126 K HN 0.188 nan 8.250 nan 0.000 0.458 127 E N 1.076 121.191 120.200 -0.142 0.000 2.427 127 E HA -0.018 4.329 4.350 -0.004 0.000 0.196 127 E C 1.496 177.919 176.600 -0.295 0.000 1.028 127 E CA 0.820 57.113 56.400 -0.180 0.000 0.864 127 E CB 0.204 29.807 29.700 -0.163 0.000 0.813 127 E HN 0.748 nan 8.360 nan 0.000 0.514 128 I N -2.032 118.362 120.570 -0.294 0.000 3.813 128 I HA 0.243 4.411 4.170 -0.004 0.000 0.323 128 I C -0.324 175.690 176.117 -0.173 0.000 1.536 128 I CA -0.468 60.600 61.300 -0.387 0.000 1.083 128 I CB 0.716 38.556 38.000 -0.267 0.000 1.265 128 I HN -0.242 nan 8.210 nan 0.000 0.507 129 T N -1.466 113.051 114.554 -0.062 0.000 2.993 129 T HA 0.344 4.691 4.350 -0.004 0.000 0.312 129 T C 0.526 175.336 174.700 0.182 0.000 1.115 129 T CA -0.283 61.912 62.100 0.158 0.000 1.027 129 T CB 1.846 70.808 68.868 0.157 0.000 1.116 129 T HN 0.125 nan 8.240 nan 0.000 0.464 130 V N -0.498 119.587 119.914 0.285 0.000 3.541 130 V HA 0.632 4.750 4.120 -0.004 0.000 0.272 130 V C 0.714 176.924 176.094 0.194 0.000 1.215 130 V CA 0.569 63.020 62.300 0.252 0.000 1.176 130 V CB -1.801 30.168 31.823 0.244 0.000 0.854 130 V HN 1.474 nan 8.190 nan 0.000 0.496 131 A N -0.404 122.515 122.820 0.163 0.000 2.585 131 A HA 0.728 5.046 4.320 -0.004 0.000 0.299 131 A C -1.111 176.551 177.584 0.130 0.000 1.047 131 A CA -0.774 51.351 52.037 0.147 0.000 0.723 131 A CB 1.280 20.376 19.000 0.161 0.000 1.275 131 A HN 0.386 nan 8.150 nan 0.000 0.408 132 Q N -0.269 119.611 119.800 0.133 0.000 2.683 132 Q HA 0.962 5.300 4.340 -0.004 0.000 0.302 132 Q C -0.472 175.636 176.000 0.181 0.000 1.042 132 Q CA -0.058 55.822 55.803 0.127 0.000 0.773 132 Q CB 2.149 30.900 28.738 0.022 0.000 1.508 132 Q HN 2.331 nan 8.270 nan 0.000 0.459 133 A N 0.299 123.234 122.820 0.191 0.000 2.581 133 A HA 0.724 5.041 4.320 -0.004 0.000 0.294 133 A C -1.837 175.857 177.584 0.184 0.000 1.035 133 A CA -0.673 51.490 52.037 0.210 0.000 0.684 133 A CB 1.405 20.450 19.000 0.075 0.000 1.282 133 A HN 0.535 nan 8.150 nan 0.000 0.417 134 R N 1.980 122.579 120.500 0.166 0.000 2.435 134 R HA 0.586 4.923 4.340 -0.004 0.000 0.308 134 R C -1.235 175.059 176.300 -0.011 0.000 0.975 134 R CA -0.683 55.462 56.100 0.076 0.000 0.867 134 R CB 0.622 30.962 30.300 0.065 0.000 1.171 134 R HN 0.667 nan 8.270 nan 0.000 0.470 135 L N 5.214 126.406 121.223 -0.052 0.000 2.391 135 L HA 0.195 4.533 4.340 -0.004 0.000 0.249 135 L C 0.087 176.923 176.870 -0.057 0.000 1.308 135 L CA -0.202 54.605 54.840 -0.055 0.000 1.209 135 L CB -0.145 41.871 42.059 -0.073 0.000 1.401 135 L HN 0.698 nan 8.230 nan 0.000 0.416 136 D N -1.829 118.540 120.400 -0.052 0.000 2.340 136 D HA 0.015 4.652 4.640 -0.004 0.000 0.217 136 D C 0.102 176.376 176.300 -0.043 0.000 1.081 136 D CA -0.157 53.810 54.000 -0.055 0.000 0.842 136 D CB 0.270 41.031 40.800 -0.065 0.000 0.934 136 D HN 0.330 nan 8.370 nan 0.000 0.511 137 D N 0.152 120.531 120.400 -0.036 0.000 2.386 137 D HA 0.156 4.794 4.640 -0.004 0.000 0.247 137 D C -1.803 174.483 176.300 -0.023 0.000 1.336 137 D CA -2.012 51.971 54.000 -0.028 0.000 0.976 137 D CB 1.785 42.570 40.800 -0.026 0.000 1.257 137 D HN -0.267 nan 8.370 nan 0.000 0.570 138 P HA -0.217 nan 4.420 nan 0.000 0.218 138 P C 1.078 178.370 177.300 -0.013 0.000 1.146 138 P CA 0.987 64.078 63.100 -0.016 0.000 0.820 138 P CB 0.285 31.977 31.700 -0.013 0.000 0.778 139 A N 0.088 122.900 122.820 -0.013 0.000 1.968 139 A HA -0.107 4.210 4.320 -0.004 0.000 0.217 139 A C 2.215 179.793 177.584 -0.010 0.000 1.169 139 A CA 1.327 53.358 52.037 -0.011 0.000 0.638 139 A CB -0.672 18.321 19.000 -0.011 0.000 0.812 139 A HN 0.193 nan 8.150 nan 0.000 0.446 140 K N -0.717 119.675 120.400 -0.012 0.000 2.242 140 K HA 0.269 4.586 4.320 -0.004 0.000 0.200 140 K C 2.242 178.835 176.600 -0.010 0.000 1.050 140 K CA 0.574 56.854 56.287 -0.010 0.000 0.981 140 K CB -0.150 32.342 32.500 -0.012 0.000 0.795 140 K HN 0.346 nan 8.250 nan 0.000 0.477 141 A N 2.772 125.583 122.820 -0.015 0.000 1.909 141 A HA -0.201 4.117 4.320 -0.004 0.000 0.221 141 A C -0.584 176.993 177.584 -0.013 0.000 1.223 141 A CA 1.874 53.900 52.037 -0.019 0.000 0.658 141 A CB -1.757 17.229 19.000 -0.023 0.000 0.831 141 A HN 0.137 nan 8.150 nan 0.000 0.462 142 P HA -0.199 nan 4.420 nan 0.000 0.216 142 P C 1.748 179.048 177.300 0.001 0.000 1.157 142 P CA 2.323 65.421 63.100 -0.004 0.000 0.880 142 P CB -0.143 31.555 31.700 -0.003 0.000 0.791 143 A N -0.707 122.114 122.820 0.002 0.000 1.898 143 A HA -0.153 4.164 4.320 -0.004 0.000 0.214 143 A C 2.191 179.783 177.584 0.013 0.000 1.183 143 A CA 1.247 53.289 52.037 0.008 0.000 0.622 143 A CB -0.995 18.009 19.000 0.006 0.000 0.824 143 A HN 0.031 nan 8.150 nan 0.000 0.444 144 E N 0.389 120.594 120.200 0.008 0.000 2.058 144 E HA -0.177 4.170 4.350 -0.004 0.000 0.194 144 E C 1.976 178.583 176.600 0.012 0.000 0.997 144 E CA 1.151 57.559 56.400 0.013 0.000 0.801 144 E CB -0.510 29.193 29.700 0.006 0.000 0.746 144 E HN 0.697 nan 8.360 nan 0.000 0.450 145 I N 0.907 121.476 120.570 -0.002 0.000 2.194 145 I HA -0.294 3.874 4.170 -0.004 0.000 0.246 145 I C 2.312 178.436 176.117 0.012 0.000 1.093 145 I CA 1.299 62.595 61.300 -0.007 0.000 1.355 145 I CB -0.399 37.592 38.000 -0.016 0.000 1.046 145 I HN 0.010 nan 8.210 nan 0.000 0.413 146 A N 0.339 123.171 122.820 0.019 0.000 2.121 146 A HA -0.189 4.128 4.320 -0.004 0.000 0.218 146 A C 2.416 180.034 177.584 0.057 0.000 1.154 146 A CA 1.287 53.343 52.037 0.032 0.000 0.679 146 A CB -0.525 18.492 19.000 0.028 0.000 0.795 146 A HN 0.414 nan 8.150 nan 0.000 0.458 147 R N -0.577 119.960 120.500 0.061 0.000 2.057 147 R HA 0.003 4.341 4.340 -0.004 0.000 0.224 147 R C 1.837 178.209 176.300 0.120 0.000 1.136 147 R CA 1.431 57.587 56.100 0.094 0.000 0.968 147 R CB -0.383 29.959 30.300 0.070 0.000 0.863 147 R HN 0.209 nan 8.270 nan 0.000 0.433 148 V N 2.207 122.172 119.914 0.085 0.000 2.233 148 V HA -0.289 3.829 4.120 -0.004 0.000 0.247 148 V C 2.532 178.674 176.094 0.080 0.000 1.050 148 V CA 1.982 64.333 62.300 0.086 0.000 1.010 148 V CB -0.566 31.284 31.823 0.046 0.000 0.637 148 V HN 0.344 nan 8.190 nan 0.000 0.444 149 L N 0.277 121.530 121.223 0.050 0.000 2.043 149 L HA -0.169 4.168 4.340 -0.004 0.000 0.212 149 L C 2.675 179.570 176.870 0.042 0.000 1.075 149 L CA 1.828 56.690 54.840 0.037 0.000 0.752 149 L CB -1.501 40.571 42.059 0.022 0.000 0.891 149 L HN 0.520 nan 8.230 nan 0.000 0.432 150 G N 0.020 108.862 108.800 0.069 0.000 2.586 150 G HA2 -0.358 3.599 3.960 -0.004 0.000 0.218 150 G HA3 -0.358 3.599 3.960 -0.004 0.000 0.218 150 G C 1.751 176.666 174.900 0.024 0.000 1.216 150 G CA 1.337 46.482 45.100 0.076 0.000 0.786 150 G HN 0.497 nan 8.290 nan 0.000 0.583 151 A N 1.270 124.179 122.820 0.147 0.000 1.859 151 A HA 0.086 4.404 4.320 -0.004 0.000 0.217 151 A C 2.921 180.476 177.584 -0.049 0.000 1.198 151 A CA 3.156 55.252 52.037 0.098 0.000 0.629 151 A CB -1.247 17.947 19.000 0.323 0.000 0.830 151 A HN 1.274 nan 8.150 nan 0.000 0.446 152 A N -0.437 122.398 122.820 0.024 0.000 1.985 152 A HA -0.308 4.009 4.320 -0.004 0.000 0.223 152 A C 2.231 179.799 177.584 -0.027 0.000 1.189 152 A CA 2.269 54.312 52.037 0.009 0.000 0.658 152 A CB -0.512 18.507 19.000 0.031 0.000 0.820 152 A HN 0.640 nan 8.150 nan 0.000 0.464 153 R N -1.068 119.403 120.500 -0.048 0.000 2.080 153 R HA 0.170 4.507 4.340 -0.004 0.000 0.222 153 R C 2.567 178.814 176.300 -0.088 0.000 1.107 153 R CA 1.036 57.112 56.100 -0.040 0.000 0.980 153 R CB -0.435 29.836 30.300 -0.048 0.000 0.879 153 R HN 0.481 nan 8.270 nan 0.000 0.439 154 A N 0.784 123.407 122.820 -0.327 0.000 1.898 154 A HA -0.132 4.185 4.320 -0.004 0.000 0.216 154 A C 1.863 179.182 177.584 -0.442 0.000 1.181 154 A CA 1.163 52.828 52.037 -0.621 0.000 0.620 154 A CB -0.089 18.061 19.000 -1.418 0.000 0.819 154 A HN 0.153 nan 8.150 nan 0.000 0.442 155 Q N -1.112 118.488 119.800 -0.334 0.000 2.319 155 Q HA 0.122 4.459 4.340 -0.004 0.000 0.209 155 Q C 0.371 176.302 176.000 -0.114 0.000 0.884 155 Q CA 0.766 56.451 55.803 -0.197 0.000 0.938 155 Q CB 0.521 29.163 28.738 -0.160 0.000 1.098 155 Q HN 0.614 nan 8.270 nan 0.000 0.517 156 S N 0.948 116.612 115.700 -0.060 0.000 3.667 156 S HA -0.161 4.306 4.470 -0.004 0.000 0.405 156 S C -0.601 173.918 174.600 -0.135 0.000 0.913 156 S CA 0.398 58.539 58.200 -0.099 0.000 1.288 156 S CB -0.641 62.416 63.200 -0.238 0.000 0.905 156 S HN 0.323 nan 8.310 nan 0.000 0.550 157 R N 0.660 121.108 120.500 -0.087 0.000 2.739 157 R HA 0.455 4.793 4.340 -0.004 0.000 0.271 157 R C -3.209 173.117 176.300 0.042 0.000 1.010 157 R CA -2.197 53.851 56.100 -0.086 0.000 0.897 157 R CB 0.892 31.085 30.300 -0.180 0.000 1.236 157 R HN 0.150 nan 8.270 nan 0.000 0.466 158 P HA 0.014 nan 4.420 nan 0.000 0.266 158 P C -0.418 176.981 177.300 0.165 0.000 1.195 158 P CA -0.186 63.002 63.100 0.146 0.000 0.768 158 P CB 0.607 32.417 31.700 0.182 0.000 0.838 159 V N 0.812 120.804 119.914 0.129 0.000 3.046 159 V HA 0.615 4.733 4.120 -0.004 0.000 0.316 159 V C -1.282 174.889 176.094 0.130 0.000 1.104 159 V CA -1.045 61.330 62.300 0.124 0.000 1.006 159 V CB 2.021 33.894 31.823 0.083 0.000 1.058 159 V HN 0.380 nan 8.190 nan 0.000 0.440 160 Y N 1.929 122.187 120.300 -0.069 0.000 2.338 160 Y HA 0.792 5.339 4.550 -0.004 0.000 0.333 160 Y C -1.162 174.625 175.900 -0.188 0.000 0.968 160 Y CA -1.216 56.768 58.100 -0.193 0.000 1.123 160 Y CB 1.661 39.948 38.460 -0.289 0.000 1.165 160 Y HN 0.738 nan 8.280 nan 0.000 0.452 161 L N 6.372 127.146 121.223 -0.747 0.000 2.349 161 L HA 0.453 4.791 4.340 -0.004 0.000 0.278 161 L C -0.737 175.615 176.870 -0.863 0.000 0.996 161 L CA -0.641 53.822 54.840 -0.629 0.000 0.825 161 L CB 1.986 43.834 42.059 -0.352 0.000 1.243 161 L HN 0.622 nan 8.230 nan 0.000 0.412 162 E N 4.206 123.980 120.200 -0.710 0.000 2.102 162 E HA 0.416 4.763 4.350 -0.004 0.000 0.263 162 E C -1.280 175.172 176.600 -0.246 0.000 0.894 162 E CA -0.815 55.304 56.400 -0.467 0.000 0.746 162 E CB 1.215 30.791 29.700 -0.207 0.000 1.129 162 E HN 0.384 nan 8.360 nan 0.000 0.416 163 I N 7.008 127.424 120.570 -0.257 0.000 2.321 163 I HA 0.272 4.440 4.170 -0.004 0.000 0.291 163 I C -2.332 173.700 176.117 -0.142 0.000 0.998 163 I CA -2.723 58.452 61.300 -0.209 0.000 1.227 163 I CB 1.473 39.290 38.000 -0.305 0.000 1.368 163 I HN 0.391 nan 8.210 nan 0.000 0.466 164 P HA 0.184 nan 4.420 nan 0.000 0.276 164 P C 0.381 177.646 177.300 -0.059 0.000 1.264 164 P CA -0.564 62.456 63.100 -0.134 0.000 0.769 164 P CB 0.460 32.085 31.700 -0.125 0.000 0.840 165 R N 3.484 123.978 120.500 -0.011 0.000 2.294 165 R HA -0.210 4.128 4.340 -0.004 0.000 0.250 165 R C 0.788 177.123 176.300 0.057 0.000 1.181 165 R CA 1.646 57.795 56.100 0.082 0.000 1.016 165 R CB -0.870 29.539 30.300 0.182 0.000 0.869 165 R HN 0.365 nan 8.270 nan 0.000 0.476 166 N N 0.272 118.981 118.700 0.014 0.000 2.322 166 N HA 0.009 4.747 4.740 -0.004 0.000 0.216 166 N C 0.345 175.856 175.510 0.001 0.000 1.144 166 N CA 0.128 53.185 53.050 0.011 0.000 0.830 166 N CB 0.604 39.088 38.487 -0.004 0.000 1.034 166 N HN 0.313 nan 8.380 nan 0.000 0.484 167 M N -0.481 119.121 119.600 0.003 0.000 2.314 167 M HA 0.148 4.626 4.480 -0.004 0.000 0.383 167 M C 0.852 177.161 176.300 0.014 0.000 0.984 167 M CA 0.079 55.376 55.300 -0.004 0.000 0.982 167 M CB 0.748 33.331 32.600 -0.029 0.000 1.745 167 M HN -0.093 nan 8.290 nan 0.000 0.600 168 V N 1.518 121.459 119.914 0.046 0.000 2.759 168 V HA -0.150 3.968 4.120 -0.004 0.000 0.256 168 V C 1.589 177.725 176.094 0.070 0.000 1.080 168 V CA 1.435 63.790 62.300 0.092 0.000 1.101 168 V CB -0.575 31.342 31.823 0.156 0.000 0.698 168 V HN 0.525 nan 8.190 nan 0.000 0.477 169 N N -0.092 118.634 118.700 0.044 0.000 2.197 169 N HA 0.216 4.953 4.740 -0.004 0.000 0.201 169 N C 0.843 176.363 175.510 0.017 0.000 1.148 169 N CA 0.476 53.543 53.050 0.029 0.000 0.883 169 N CB 0.618 39.121 38.487 0.026 0.000 1.012 169 N HN 0.398 nan 8.380 nan 0.000 0.507 170 A N 2.045 124.872 122.820 0.012 0.000 2.545 170 A HA 0.029 4.346 4.320 -0.004 0.000 0.253 170 A C 0.429 178.014 177.584 0.003 0.000 1.074 170 A CA 0.042 52.081 52.037 0.004 0.000 0.760 170 A CB -0.122 18.877 19.000 -0.002 0.000 1.005 170 A HN 0.201 nan 8.150 nan 0.000 0.506 171 E N 0.607 120.807 120.200 0.001 0.000 2.442 171 E HA 0.305 4.652 4.350 -0.004 0.000 0.262 171 E C -0.016 176.582 176.600 -0.002 0.000 1.004 171 E CA 0.249 56.648 56.400 -0.000 0.000 0.928 171 E CB 0.518 30.218 29.700 -0.001 0.000 0.937 171 E HN 0.694 nan 8.360 nan 0.000 0.446 172 V N -1.053 118.860 119.914 -0.002 0.000 3.012 172 V HA 0.290 4.408 4.120 -0.004 0.000 0.307 172 V C -0.456 175.636 176.094 -0.003 0.000 1.166 172 V CA -1.327 60.971 62.300 -0.004 0.000 0.974 172 V CB 2.054 33.873 31.823 -0.005 0.000 1.040 172 V HN 0.483 nan 8.190 nan 0.000 0.428 173 E N 2.616 122.813 120.200 -0.004 0.000 2.442 173 E HA 0.227 4.574 4.350 -0.004 0.000 0.262 173 E C -2.412 174.186 176.600 -0.002 0.000 1.004 173 E CA -1.133 55.265 56.400 -0.003 0.000 0.928 173 E CB 0.412 30.111 29.700 -0.002 0.000 0.937 173 E HN 0.603 nan 8.360 nan 0.000 0.446 174 P HA -0.089 nan 4.420 nan 0.000 0.266 174 P C -0.473 176.827 177.300 0.000 0.000 1.193 174 P CA 0.109 63.209 63.100 -0.001 0.000 0.770 174 P CB 0.418 32.117 31.700 -0.001 0.000 0.836 175 V N 3.340 123.254 119.914 0.000 0.000 2.521 175 V HA 0.200 4.317 4.120 -0.004 0.000 0.286 175 V C 1.499 177.596 176.094 0.005 0.000 1.034 175 V CA 0.552 62.854 62.300 0.002 0.000 1.045 175 V CB 0.099 31.923 31.823 0.002 0.000 0.974 175 V HN 0.788 nan 8.190 nan 0.000 0.480 176 G N 3.956 112.761 108.800 0.008 0.000 2.467 176 G HA2 0.142 4.099 3.960 -0.004 0.000 0.243 176 G HA3 0.142 4.099 3.960 -0.004 0.000 0.243 176 G C -0.409 174.499 174.900 0.014 0.000 1.521 176 G CA -0.204 44.902 45.100 0.010 0.000 1.055 176 G HN 0.668 nan 8.290 nan 0.000 0.553 177 D N -0.786 119.625 120.400 0.018 0.000 2.326 177 D HA 0.407 5.044 4.640 -0.004 0.000 0.248 177 D C -0.471 175.849 176.300 0.034 0.000 1.001 177 D CA -0.444 53.569 54.000 0.021 0.000 0.961 177 D CB 1.079 41.890 40.800 0.018 0.000 1.183 177 D HN 0.120 nan 8.370 nan 0.000 0.502 178 D N 1.038 121.462 120.400 0.039 0.000 2.449 178 D HA 0.137 4.774 4.640 -0.004 0.000 0.236 178 D C -1.926 174.427 176.300 0.088 0.000 1.149 178 D CA -0.438 53.601 54.000 0.065 0.000 0.878 178 D CB 0.064 40.895 40.800 0.052 0.000 1.198 178 D HN 0.113 nan 8.370 nan 0.000 0.446 179 P HA 0.286 nan 4.420 nan 0.000 0.293 179 P C -0.835 176.593 177.300 0.212 0.000 1.313 179 P CA -0.573 62.600 63.100 0.123 0.000 0.787 179 P CB 0.978 32.732 31.700 0.090 0.000 0.910 180 A N 4.140 127.053 122.820 0.155 0.000 2.583 180 A HA 0.080 4.397 4.320 -0.004 0.000 0.231 180 A C -0.512 177.246 177.584 0.290 0.000 1.065 180 A CA 0.365 52.519 52.037 0.195 0.000 0.760 180 A CB -0.235 18.825 19.000 0.100 0.000 1.001 180 A HN 0.532 nan 8.150 nan 0.000 0.509 181 W N 0.231 121.516 121.300 -0.025 0.000 2.639 181 W HA 0.547 5.204 4.660 -0.005 0.000 0.347 181 W C -2.163 174.343 176.519 -0.023 0.000 1.067 181 W CA -2.122 55.209 57.345 -0.024 0.000 1.218 181 W CB 0.363 29.802 29.460 -0.035 0.000 1.393 181 W HN 0.435 nan 8.180 nan 0.000 0.557 182 P HA 0.030 nan 4.420 nan 0.000 0.258 182 P C -0.682 176.677 177.300 0.098 0.000 1.187 182 P CA 0.303 63.443 63.100 0.065 0.000 0.767 182 P CB 0.152 31.856 31.700 0.008 0.000 0.770 183 V N 3.701 123.656 119.914 0.067 0.000 2.320 183 V HA 0.079 4.196 4.120 -0.004 0.000 0.268 183 V C 0.250 176.369 176.094 0.041 0.000 1.021 183 V CA -0.597 61.736 62.300 0.055 0.000 0.813 183 V CB 1.009 32.857 31.823 0.042 0.000 1.054 183 V HN 0.450 nan 8.190 nan 0.000 0.444 184 D N 4.186 124.614 120.400 0.047 0.000 2.479 184 D HA 0.020 4.658 4.640 -0.004 0.000 0.253 184 D C 1.703 178.031 176.300 0.047 0.000 1.278 184 D CA 0.085 54.112 54.000 0.045 0.000 1.145 184 D CB 0.498 41.331 40.800 0.054 0.000 1.118 184 D HN 0.362 nan 8.370 nan 0.000 0.513 185 R N 2.396 122.917 120.500 0.034 0.000 2.154 185 R HA -0.169 4.168 4.340 -0.004 0.000 0.248 185 R C 0.891 177.213 176.300 0.036 0.000 1.155 185 R CA 1.189 57.306 56.100 0.029 0.000 0.979 185 R CB -0.257 30.055 30.300 0.021 0.000 0.869 185 R HN 0.521 nan 8.270 nan 0.000 0.452 186 D N 0.692 121.119 120.400 0.045 0.000 2.123 186 D HA -0.034 4.603 4.640 -0.004 0.000 0.200 186 D C 1.897 178.253 176.300 0.092 0.000 0.976 186 D CA 1.287 55.320 54.000 0.054 0.000 0.831 186 D CB -0.114 40.714 40.800 0.046 0.000 0.974 186 D HN 0.223 nan 8.370 nan 0.000 0.469 187 A N 1.285 124.181 122.820 0.127 0.000 1.930 187 A HA -0.128 4.189 4.320 -0.004 0.000 0.217 187 A C 2.145 179.836 177.584 0.179 0.000 1.175 187 A CA 0.746 52.950 52.037 0.277 0.000 0.627 187 A CB -0.614 18.578 19.000 0.319 0.000 0.815 187 A HN 0.184 nan 8.150 nan 0.000 0.443 188 L N 0.044 121.311 121.223 0.072 0.000 2.013 188 L HA -0.147 4.190 4.340 -0.004 0.000 0.212 188 L C 2.619 179.465 176.870 -0.039 0.000 1.073 188 L CA 2.465 57.298 54.840 -0.012 0.000 0.753 188 L CB -1.024 41.036 42.059 0.003 0.000 0.890 188 L HN 0.343 nan 8.230 nan 0.000 0.432 189 A N -0.966 121.856 122.820 0.003 0.000 1.969 189 A HA 0.043 4.360 4.320 -0.004 0.000 0.218 189 A C 2.389 179.974 177.584 0.003 0.000 1.169 189 A CA 1.551 53.588 52.037 -0.001 0.000 0.635 189 A CB -0.971 18.038 19.000 0.016 0.000 0.810 189 A HN 0.580 nan 8.150 nan 0.000 0.445 190 A N -1.222 121.632 122.820 0.056 0.000 1.929 190 A HA -0.116 4.201 4.320 -0.004 0.000 0.216 190 A C 2.342 179.937 177.584 0.018 0.000 1.176 190 A CA 1.426 53.532 52.037 0.114 0.000 0.628 190 A CB -1.297 17.856 19.000 0.255 0.000 0.816 190 A HN 0.711 nan 8.150 nan 0.000 0.444 191 C N -0.594 118.546 119.300 -0.267 0.000 2.442 191 C HA 0.066 4.523 4.460 -0.004 0.000 0.279 191 C C 3.155 177.936 174.990 -0.348 0.000 1.237 191 C CA 1.365 59.911 59.018 -0.786 0.000 1.722 191 C CB -1.330 25.706 27.740 -1.173 0.000 2.056 191 C HN 0.702 nan 8.230 nan 0.000 0.469 192 A N 0.707 123.390 122.820 -0.227 0.000 1.915 192 A HA -0.285 4.032 4.320 -0.004 0.000 0.220 192 A C 1.867 179.380 177.584 -0.120 0.000 1.198 192 A CA 2.640 54.590 52.037 -0.145 0.000 0.647 192 A CB -0.974 17.976 19.000 -0.083 0.000 0.825 192 A HN 0.739 nan 8.150 nan 0.000 0.456 193 D N -0.963 119.390 120.400 -0.079 0.000 2.084 193 D HA -0.155 4.483 4.640 -0.004 0.000 0.194 193 D C 1.945 178.215 176.300 -0.050 0.000 0.990 193 D CA 1.494 55.467 54.000 -0.046 0.000 0.826 193 D CB -0.487 40.308 40.800 -0.008 0.000 0.971 193 D HN 0.703 nan 8.370 nan 0.000 0.453 194 E N 0.490 120.667 120.200 -0.039 0.000 2.038 194 E HA -0.154 4.193 4.350 -0.004 0.000 0.195 194 E C 2.263 178.815 176.600 -0.081 0.000 1.000 194 E CA 0.875 57.267 56.400 -0.013 0.000 0.803 194 E CB 0.133 29.871 29.700 0.064 0.000 0.750 194 E HN -0.017 nan 8.360 nan 0.000 0.448 195 V N 1.494 121.310 119.914 -0.164 0.000 2.219 195 V HA -0.322 3.796 4.120 -0.004 0.000 0.248 195 V C 2.539 178.479 176.094 -0.256 0.000 1.053 195 V CA 2.023 64.163 62.300 -0.267 0.000 1.009 195 V CB -0.647 30.954 31.823 -0.370 0.000 0.636 195 V HN 0.352 nan 8.190 nan 0.000 0.445 196 L N -0.364 120.738 121.223 -0.201 0.000 1.971 196 L HA -0.255 4.082 4.340 -0.004 0.000 0.215 196 L C 2.638 179.447 176.870 -0.103 0.000 1.072 196 L CA 2.081 56.833 54.840 -0.147 0.000 0.758 196 L CB -0.675 41.328 42.059 -0.093 0.000 0.889 196 L HN 0.385 nan 8.230 nan 0.000 0.433 197 A N -0.420 122.356 122.820 -0.074 0.000 1.869 197 A HA -0.336 3.981 4.320 -0.004 0.000 0.218 197 A C 2.453 180.006 177.584 -0.050 0.000 1.203 197 A CA 2.412 54.422 52.037 -0.046 0.000 0.638 197 A CB -1.299 17.686 19.000 -0.026 0.000 0.831 197 A HN 0.576 nan 8.150 nan 0.000 0.450 198 A N -1.164 121.619 122.820 -0.061 0.000 1.940 198 A HA -0.272 4.045 4.320 -0.004 0.000 0.221 198 A C 2.252 179.798 177.584 -0.063 0.000 1.190 198 A CA 2.465 54.468 52.037 -0.055 0.000 0.647 198 A CB -0.566 18.392 19.000 -0.070 0.000 0.821 198 A HN 0.507 nan 8.150 nan 0.000 0.457 199 M N -1.019 118.522 119.600 -0.098 0.000 2.101 199 M HA -0.118 4.359 4.480 -0.004 0.000 0.259 199 M C 2.274 178.549 176.300 -0.042 0.000 1.083 199 M CA 1.938 57.190 55.300 -0.079 0.000 1.114 199 M CB -1.353 31.180 32.600 -0.112 0.000 1.281 199 M HN 0.459 nan 8.290 nan 0.000 0.422 200 R N 0.543 121.019 120.500 -0.040 0.000 2.165 200 R HA -0.191 4.146 4.340 -0.004 0.000 0.254 200 R C 2.026 178.316 176.300 -0.017 0.000 1.153 200 R CA 2.152 58.238 56.100 -0.023 0.000 0.971 200 R CB -1.186 29.101 30.300 -0.023 0.000 0.878 200 R HN 0.574 nan 8.270 nan 0.000 0.449 201 S N 0.004 115.693 115.700 -0.019 0.000 2.607 201 S HA 0.193 4.661 4.470 -0.004 0.000 0.224 201 S C 0.740 175.334 174.600 -0.009 0.000 0.969 201 S CA 0.040 58.232 58.200 -0.013 0.000 0.927 201 S CB 0.196 63.389 63.200 -0.012 0.000 0.772 201 S HN 0.361 nan 8.310 nan 0.000 0.533 202 A N 1.300 124.114 122.820 -0.010 0.000 2.310 202 A HA 0.605 4.922 4.320 -0.004 0.000 0.299 202 A C 1.282 178.865 177.584 -0.002 0.000 1.147 202 A CA -0.356 51.678 52.037 -0.005 0.000 0.818 202 A CB 0.351 19.348 19.000 -0.005 0.000 1.096 202 A HN 0.256 nan 8.150 nan 0.000 0.495 203 T N 0.979 115.533 114.554 -0.000 0.000 2.569 203 T HA -0.090 4.257 4.350 -0.004 0.000 0.263 203 T C 1.144 175.846 174.700 0.003 0.000 1.074 203 T CA 2.171 64.272 62.100 0.001 0.000 1.176 203 T CB -0.158 68.711 68.868 0.001 0.000 0.863 203 T HN 0.698 nan 8.240 nan 0.000 0.410 204 S N 3.390 119.093 115.700 0.003 0.000 2.269 204 S HA 0.344 4.811 4.470 -0.004 0.000 0.194 204 S C -2.759 171.845 174.600 0.007 0.000 1.547 204 S CA -1.795 56.408 58.200 0.005 0.000 1.186 204 S CB 0.457 63.659 63.200 0.004 0.000 1.069 204 S HN 0.124 nan 8.310 nan 0.000 0.473 205 P HA 0.387 nan 4.420 nan 0.000 0.277 205 P C -0.848 176.470 177.300 0.030 0.000 1.240 205 P CA -0.393 62.719 63.100 0.020 0.000 0.798 205 P CB 1.357 33.067 31.700 0.016 0.000 0.979 206 V N 2.501 122.443 119.914 0.046 0.000 2.971 206 V HA 0.328 4.445 4.120 -0.004 0.000 0.309 206 V C -0.425 175.722 176.094 0.089 0.000 1.130 206 V CA -0.790 61.538 62.300 0.046 0.000 0.964 206 V CB 2.223 34.052 31.823 0.009 0.000 1.029 206 V HN 0.411 nan 8.190 nan 0.000 0.427 207 L N 4.603 125.870 121.223 0.075 0.000 2.319 207 L HA 0.678 5.016 4.340 -0.004 0.000 0.281 207 L C -0.513 176.360 176.870 0.006 0.000 1.005 207 L CA -0.017 54.869 54.840 0.077 0.000 0.828 207 L CB 1.287 43.401 42.059 0.093 0.000 1.227 207 L HN 0.656 nan 8.230 nan 0.000 0.415 208 M N 5.649 125.229 119.600 -0.033 0.000 2.149 208 M HA 0.445 4.922 4.480 -0.004 0.000 0.342 208 M C -0.929 175.326 176.300 -0.075 0.000 1.068 208 M CA -0.784 54.494 55.300 -0.036 0.000 0.991 208 M CB 1.791 34.376 32.600 -0.026 0.000 1.596 208 M HN 0.263 nan 8.290 nan 0.000 0.439 209 V N 2.918 122.806 119.914 -0.043 0.000 2.394 209 V HA 0.369 4.486 4.120 -0.004 0.000 0.282 209 V C -0.135 175.952 176.094 -0.012 0.000 1.031 209 V CA -0.500 61.770 62.300 -0.050 0.000 0.881 209 V CB 1.503 33.303 31.823 -0.038 0.000 0.982 209 V HN 1.083 nan 8.190 nan 0.000 0.451 210 C N 3.636 122.934 119.300 -0.003 0.000 3.292 210 C HA 0.538 4.995 4.460 -0.004 0.000 0.369 210 C C 2.013 177.029 174.990 0.043 0.000 2.360 210 C CA 0.509 59.551 59.018 0.040 0.000 1.526 210 C CB 1.695 29.471 27.740 0.060 0.000 2.784 210 C HN 0.782 nan 8.230 nan 0.000 0.490 211 V N 1.808 121.773 119.914 0.084 0.000 2.252 211 V HA -0.249 3.869 4.120 -0.004 0.000 0.255 211 V C 2.076 178.163 176.094 -0.013 0.000 1.071 211 V CA 3.081 65.418 62.300 0.061 0.000 1.050 211 V CB -0.813 31.095 31.823 0.142 0.000 0.654 211 V HN 0.930 nan 8.190 nan 0.000 0.448 212 E N -0.494 119.727 120.200 0.035 0.000 2.160 212 E HA -0.175 4.173 4.350 -0.004 0.000 0.195 212 E C 2.190 178.748 176.600 -0.071 0.000 0.991 212 E CA 1.616 57.957 56.400 -0.098 0.000 0.810 212 E CB -0.272 29.502 29.700 0.123 0.000 0.742 212 E HN 0.665 nan 8.360 nan 0.000 0.466 213 V N 1.124 121.041 119.914 0.004 0.000 2.490 213 V HA -0.255 3.863 4.120 -0.004 0.000 0.250 213 V C 2.350 178.432 176.094 -0.020 0.000 1.061 213 V CA 1.790 64.097 62.300 0.013 0.000 1.064 213 V CB -0.538 31.282 31.823 -0.006 0.000 0.670 213 V HN 0.200 nan 8.190 nan 0.000 0.461 214 R N -0.159 120.303 120.500 -0.063 0.000 2.052 214 R HA -0.055 4.282 4.340 -0.004 0.000 0.224 214 R C 2.680 178.912 176.300 -0.112 0.000 1.149 214 R CA 0.650 56.704 56.100 -0.077 0.000 0.962 214 R CB -0.113 30.138 30.300 -0.082 0.000 0.856 214 R HN 0.278 nan 8.270 nan 0.000 0.433 215 R N 0.158 120.530 120.500 -0.214 0.000 2.119 215 R HA -0.183 4.154 4.340 -0.004 0.000 0.246 215 R C 1.277 177.432 176.300 -0.241 0.000 1.146 215 R CA 1.479 57.390 56.100 -0.315 0.000 0.962 215 R CB -0.865 29.085 30.300 -0.583 0.000 0.863 215 R HN 0.395 nan 8.270 nan 0.000 0.442 216 Y N 0.279 120.553 120.300 -0.043 0.000 2.645 216 Y HA 0.353 4.901 4.550 -0.004 0.000 0.307 216 Y C 1.048 176.924 175.900 -0.041 0.000 1.151 216 Y CA -0.833 57.236 58.100 -0.051 0.000 1.291 216 Y CB -0.584 37.839 38.460 -0.063 0.000 1.135 216 Y HN 0.195 nan 8.280 nan 0.000 0.523 217 G N 1.512 110.350 108.800 0.063 0.000 2.332 217 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.277 217 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.277 217 G C 0.440 175.363 174.900 0.038 0.000 0.884 217 G CA 0.585 45.703 45.100 0.030 0.000 1.251 217 G HN 0.618 nan 8.290 nan 0.000 0.462 218 L N -0.613 120.636 121.223 0.043 0.000 2.769 218 L HA 0.249 4.586 4.340 -0.004 0.000 0.240 218 L C 2.087 178.965 176.870 0.014 0.000 1.163 218 L CA 0.380 55.241 54.840 0.035 0.000 0.962 218 L CB 0.188 42.280 42.059 0.055 0.000 1.258 218 L HN 0.558 nan 8.230 nan 0.000 0.513 219 E N 1.779 121.981 120.200 0.003 0.000 2.065 219 E HA -0.306 4.042 4.350 -0.004 0.000 0.201 219 E C 2.235 178.834 176.600 -0.003 0.000 1.016 219 E CA 1.962 58.358 56.400 -0.006 0.000 0.818 219 E CB 0.116 29.806 29.700 -0.016 0.000 0.749 219 E HN 0.497 nan 8.360 nan 0.000 0.453 220 A N 1.410 124.229 122.820 -0.001 0.000 1.859 220 A HA -0.271 4.047 4.320 -0.004 0.000 0.217 220 A C 2.115 179.702 177.584 0.005 0.000 1.198 220 A CA 2.099 54.137 52.037 0.001 0.000 0.629 220 A CB -0.610 18.391 19.000 0.001 0.000 0.830 220 A HN 0.138 nan 8.150 nan 0.000 0.446 221 K N -0.450 119.954 120.400 0.007 0.000 2.001 221 K HA -0.132 4.185 4.320 -0.004 0.000 0.214 221 K C 2.000 178.608 176.600 0.014 0.000 1.050 221 K CA 1.620 57.914 56.287 0.011 0.000 0.934 221 K CB -1.249 31.258 32.500 0.011 0.000 0.718 221 K HN 0.357 nan 8.250 nan 0.000 0.443 222 V N 1.601 121.522 119.914 0.011 0.000 2.688 222 V HA -0.242 3.876 4.120 -0.004 0.000 0.256 222 V C 2.437 178.537 176.094 0.009 0.000 1.084 222 V CA 1.839 64.144 62.300 0.008 0.000 1.103 222 V CB -0.951 30.868 31.823 -0.007 0.000 0.688 222 V HN 0.312 nan 8.190 nan 0.000 0.480 223 A N 0.246 123.070 122.820 0.007 0.000 1.897 223 A HA -0.177 4.141 4.320 -0.004 0.000 0.215 223 A C 2.243 179.835 177.584 0.012 0.000 1.181 223 A CA 1.661 53.702 52.037 0.007 0.000 0.620 223 A CB -0.372 18.630 19.000 0.003 0.000 0.821 223 A HN 0.536 nan 8.150 nan 0.000 0.443 224 E N -0.046 120.162 120.200 0.013 0.000 2.072 224 E HA -0.156 4.192 4.350 -0.004 0.000 0.191 224 E C 1.823 178.437 176.600 0.022 0.000 0.985 224 E CA 1.347 57.756 56.400 0.015 0.000 0.801 224 E CB -0.394 29.314 29.700 0.013 0.000 0.750 224 E HN 0.434 nan 8.360 nan 0.000 0.452 225 L N 0.562 121.803 121.223 0.029 0.000 2.017 225 L HA -0.026 4.312 4.340 -0.004 0.000 0.208 225 L C 2.284 179.183 176.870 0.049 0.000 1.073 225 L CA 2.461 57.327 54.840 0.044 0.000 0.745 225 L CB -1.191 40.904 42.059 0.061 0.000 0.894 225 L HN 0.161 nan 8.230 nan 0.000 0.432 226 A N -0.773 122.072 122.820 0.041 0.000 1.940 226 A HA -0.378 3.939 4.320 -0.004 0.000 0.221 226 A C 2.375 179.980 177.584 0.036 0.000 1.190 226 A CA 2.439 54.501 52.037 0.040 0.000 0.647 226 A CB -0.900 18.115 19.000 0.026 0.000 0.821 226 A HN 0.763 nan 8.150 nan 0.000 0.457 227 Q N -0.966 118.850 119.800 0.028 0.000 2.049 227 Q HA -0.121 4.217 4.340 -0.004 0.000 0.198 227 Q C 2.358 178.371 176.000 0.023 0.000 0.971 227 Q CA 1.085 56.902 55.803 0.023 0.000 0.833 227 Q CB -0.109 28.639 28.738 0.017 0.000 0.896 227 Q HN 0.681 nan 8.270 nan 0.000 0.434 228 R N 0.123 120.637 120.500 0.024 0.000 2.081 228 R HA -0.134 4.203 4.340 -0.004 0.000 0.235 228 R C 2.330 178.645 176.300 0.024 0.000 1.131 228 R CA 1.136 57.249 56.100 0.022 0.000 0.960 228 R CB -0.395 29.917 30.300 0.021 0.000 0.856 228 R HN 0.265 nan 8.270 nan 0.000 0.436 229 L N 0.743 121.987 121.223 0.036 0.000 2.362 229 L HA 0.096 4.434 4.340 -0.004 0.000 0.219 229 L C 0.796 177.686 176.870 0.033 0.000 1.134 229 L CA 1.384 56.248 54.840 0.040 0.000 0.807 229 L CB -0.619 41.485 42.059 0.075 0.000 0.927 229 L HN 0.394 nan 8.230 nan 0.000 0.447 230 G N 0.310 109.128 108.800 0.030 0.000 2.421 230 G HA2 -0.200 3.757 3.960 -0.004 0.000 0.300 230 G HA3 -0.200 3.757 3.960 -0.004 0.000 0.300 230 G C 0.183 175.099 174.900 0.027 0.000 0.974 230 G CA 0.689 45.804 45.100 0.025 0.000 1.062 230 G HN 0.875 nan 8.290 nan 0.000 0.514 231 V N -3.909 116.026 119.914 0.036 0.000 3.126 231 V HA 0.923 5.040 4.120 -0.004 0.000 0.314 231 V C -2.178 173.938 176.094 0.037 0.000 1.138 231 V CA -3.080 59.242 62.300 0.037 0.000 1.034 231 V CB 1.804 33.657 31.823 0.050 0.000 1.075 231 V HN 0.040 nan 8.190 nan 0.000 0.442 232 P HA 0.315 nan 4.420 nan 0.000 0.265 232 P C -0.790 176.528 177.300 0.031 0.000 1.193 232 P CA 0.148 63.265 63.100 0.027 0.000 0.765 232 P CB 0.639 32.352 31.700 0.021 0.000 0.823 233 V N 4.058 123.988 119.914 0.026 0.000 2.581 233 V HA 0.589 4.706 4.120 -0.004 0.000 0.303 233 V C 0.131 176.239 176.094 0.022 0.000 1.041 233 V CA -0.471 61.844 62.300 0.024 0.000 0.907 233 V CB 2.166 34.002 31.823 0.021 0.000 0.994 233 V HN 0.253 nan 8.190 nan 0.000 0.442 234 V N 2.251 122.177 119.914 0.019 0.000 3.120 234 V HA 0.645 4.763 4.120 -0.004 0.000 0.303 234 V C -0.086 176.026 176.094 0.031 0.000 1.238 234 V CA -0.505 61.813 62.300 0.031 0.000 1.008 234 V CB 2.700 34.543 31.823 0.033 0.000 1.064 234 V HN 1.026 nan 8.190 nan 0.000 0.434 235 T N -0.942 113.639 114.554 0.046 0.000 2.948 235 T HA 0.764 5.111 4.350 -0.004 0.000 0.285 235 T C 0.273 175.031 174.700 0.097 0.000 1.019 235 T CA 0.117 62.242 62.100 0.041 0.000 1.013 235 T CB 1.923 70.796 68.868 0.008 0.000 1.117 235 T HN 0.972 nan 8.240 nan 0.000 0.533 236 T N -1.143 113.474 114.554 0.104 0.000 2.990 236 T HA 0.394 4.741 4.350 -0.004 0.000 0.296 236 T C 0.828 175.623 174.700 0.159 0.000 1.189 236 T CA -0.559 61.661 62.100 0.200 0.000 0.938 236 T CB -0.059 68.949 68.868 0.232 0.000 1.994 236 T HN 0.557 nan 8.240 nan 0.000 0.584 237 F N 0.375 120.374 119.950 0.081 0.000 2.317 237 F HA 0.295 4.821 4.527 -0.003 0.000 0.293 237 F C 2.192 177.902 175.800 -0.150 0.000 1.085 237 F CA 0.764 58.707 58.000 -0.096 0.000 1.390 237 F CB -0.198 38.692 39.000 -0.184 0.000 1.077 237 F HN 0.207 nan 8.300 nan 0.000 0.517 238 M N -0.343 119.268 119.600 0.019 0.000 2.541 238 M HA 0.188 4.666 4.480 -0.004 0.000 0.252 238 M C 1.972 178.213 176.300 -0.099 0.000 1.125 238 M CA 0.937 56.180 55.300 -0.096 0.000 1.091 238 M CB -0.887 31.751 32.600 0.062 0.000 1.420 238 M HN 0.316 nan 8.290 nan 0.000 0.486 239 G N 0.600 109.371 108.800 -0.049 0.000 3.042 239 G HA2 -0.012 3.945 3.960 -0.004 0.000 0.212 239 G HA3 -0.012 3.945 3.960 -0.004 0.000 0.212 239 G C 0.777 175.623 174.900 -0.091 0.000 1.166 239 G CA -0.403 44.670 45.100 -0.044 0.000 0.767 239 G HN 0.367 nan 8.290 nan 0.000 0.546 240 R N 0.484 120.878 120.500 -0.176 0.000 2.504 240 R HA 0.300 4.637 4.340 -0.004 0.000 0.291 240 R C 1.356 177.569 176.300 -0.145 0.000 0.974 240 R CA 1.173 57.157 56.100 -0.194 0.000 1.077 240 R CB -0.213 29.863 30.300 -0.374 0.000 0.926 240 R HN 0.333 nan 8.270 nan 0.000 0.407 241 G N 3.423 112.174 108.800 -0.082 0.000 2.157 241 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.239 241 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.239 241 G C -0.053 174.817 174.900 -0.051 0.000 0.982 241 G CA 0.023 45.086 45.100 -0.062 0.000 0.650 241 G HN 0.489 nan 8.290 nan 0.000 0.527 242 L N -0.063 121.132 121.223 -0.046 0.000 2.379 242 L HA 0.645 4.982 4.340 -0.004 0.000 0.269 242 L C 1.393 178.250 176.870 -0.021 0.000 1.084 242 L CA -1.149 53.669 54.840 -0.037 0.000 0.802 242 L CB 1.161 43.197 42.059 -0.037 0.000 1.175 242 L HN 0.048 nan 8.230 nan 0.000 0.448 243 L N 1.667 122.880 121.223 -0.017 0.000 3.858 243 L HA -0.292 4.045 4.340 -0.004 0.000 0.425 243 L C 1.255 178.124 176.870 -0.002 0.000 1.177 243 L CA 1.274 56.110 54.840 -0.008 0.000 0.943 243 L CB -1.716 40.341 42.059 -0.004 0.000 1.861 243 L HN 0.830 nan 8.230 nan 0.000 0.985 244 A N -1.973 120.845 122.820 -0.003 0.000 2.169 244 A HA 0.063 4.381 4.320 -0.004 0.000 0.212 244 A C 1.554 179.141 177.584 0.005 0.000 1.153 244 A CA 1.290 53.331 52.037 0.006 0.000 0.756 244 A CB -0.118 18.887 19.000 0.007 0.000 0.813 244 A HN 0.505 nan 8.150 nan 0.000 0.471 245 D N -0.687 119.712 120.400 -0.000 0.000 2.433 245 D HA 0.395 5.032 4.640 -0.004 0.000 0.211 245 D C 0.538 176.839 176.300 0.001 0.000 1.114 245 D CA 0.519 54.519 54.000 -0.000 0.000 0.837 245 D CB 0.525 41.322 40.800 -0.005 0.000 0.984 245 D HN 0.384 nan 8.370 nan 0.000 0.505 246 A N 0.980 123.801 122.820 0.003 0.000 2.302 246 A HA 0.456 4.773 4.320 -0.004 0.000 0.285 246 A C -1.478 176.111 177.584 0.007 0.000 1.105 246 A CA -1.108 50.932 52.037 0.004 0.000 0.816 246 A CB 0.633 19.636 19.000 0.004 0.000 1.067 246 A HN -0.122 nan 8.150 nan 0.000 0.489 247 P HA -0.085 nan 4.420 nan 0.000 0.218 247 P C 0.454 177.761 177.300 0.012 0.000 1.146 247 P CA 1.843 64.948 63.100 0.009 0.000 0.813 247 P CB 0.068 31.774 31.700 0.009 0.000 0.778 248 T N -3.958 110.604 114.554 0.013 0.000 3.427 248 T HA 0.329 4.676 4.350 -0.004 0.000 0.306 248 T C -2.693 172.016 174.700 0.015 0.000 1.733 248 T CA -2.249 59.860 62.100 0.015 0.000 1.599 248 T CB 0.246 69.125 68.868 0.018 0.000 0.964 248 T HN 0.005 nan 8.240 nan 0.000 0.701 249 P HA 0.290 nan 4.420 nan 0.000 0.272 249 P C -2.676 174.635 177.300 0.019 0.000 1.223 249 P CA -1.293 61.816 63.100 0.016 0.000 0.784 249 P CB -0.055 31.656 31.700 0.018 0.000 0.923 250 P HA 0.070 nan 4.420 nan 0.000 0.266 250 P C 0.663 177.979 177.300 0.027 0.000 1.193 250 P CA 0.336 63.449 63.100 0.021 0.000 0.770 250 P CB 0.233 31.944 31.700 0.019 0.000 0.836 251 L N 0.977 122.218 121.223 0.029 0.000 2.627 251 L HA 0.318 4.655 4.340 -0.004 0.000 0.232 251 L C 1.184 178.074 176.870 0.033 0.000 1.150 251 L CA 0.293 55.151 54.840 0.030 0.000 0.917 251 L CB -0.957 41.120 42.059 0.029 0.000 1.104 251 L HN 0.699 nan 8.230 nan 0.000 0.445 252 G N -0.814 108.006 108.800 0.033 0.000 2.315 252 G HA2 -0.066 3.892 3.960 -0.004 0.000 0.296 252 G HA3 -0.066 3.892 3.960 -0.004 0.000 0.296 252 G C -0.923 173.995 174.900 0.030 0.000 1.289 252 G CA -0.835 44.279 45.100 0.024 0.000 0.996 252 G HN -0.170 nan 8.290 nan 0.000 0.487 253 T N 0.595 115.156 114.554 0.012 0.000 2.809 253 T HA 0.526 4.873 4.350 -0.004 0.000 0.284 253 T C -1.060 173.700 174.700 0.100 0.000 0.992 253 T CA -0.120 62.004 62.100 0.039 0.000 0.957 253 T CB 1.204 70.056 68.868 -0.027 0.000 0.942 253 T HN 0.702 nan 8.240 nan 0.000 0.439 254 Y N 5.372 125.700 120.300 0.046 0.000 2.359 254 Y HA 0.468 5.016 4.550 -0.004 0.000 0.334 254 Y C 0.733 176.728 175.900 0.158 0.000 1.058 254 Y CA -0.832 57.318 58.100 0.084 0.000 1.244 254 Y CB 0.276 38.780 38.460 0.072 0.000 1.187 254 Y HN 0.671 nan 8.280 nan 0.000 0.510 255 I N 3.287 123.604 120.570 -0.421 0.000 4.026 255 I HA 0.670 4.838 4.170 -0.004 0.000 0.324 255 I C 0.506 176.460 176.117 -0.272 0.000 1.474 255 I CA 0.143 61.372 61.300 -0.118 0.000 1.107 255 I CB 0.210 38.361 38.000 0.251 0.000 1.345 255 I HN 0.850 nan 8.210 nan 0.000 0.531 256 G N 1.524 109.738 108.800 -0.977 0.000 2.545 256 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.216 256 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.216 256 G C 0.274 175.103 174.900 -0.119 0.000 1.314 256 G CA -0.095 44.725 45.100 -0.467 0.000 0.906 256 G HN 0.345 nan 8.290 nan 0.000 0.563 257 V N 1.217 121.139 119.914 0.013 0.000 2.453 257 V HA -0.005 4.112 4.120 -0.004 0.000 0.252 257 V C 3.255 179.406 176.094 0.096 0.000 1.068 257 V CA 3.813 66.141 62.300 0.046 0.000 1.070 257 V CB -1.197 30.623 31.823 -0.005 0.000 0.664 257 V HN 2.232 nan 8.190 nan 0.000 0.461 258 A N -0.031 122.909 122.820 0.200 0.000 1.859 258 A HA -0.039 4.278 4.320 -0.004 0.000 0.218 258 A C 1.780 179.468 177.584 0.174 0.000 1.209 258 A CA 2.004 54.217 52.037 0.294 0.000 0.639 258 A CB -1.605 17.685 19.000 0.483 0.000 0.835 258 A HN 0.758 nan 8.150 nan 0.000 0.450 259 G N -1.127 107.744 108.800 0.118 0.000 2.479 259 G HA2 0.308 4.265 3.960 -0.004 0.000 0.275 259 G HA3 0.308 4.265 3.960 -0.004 0.000 0.275 259 G C -0.445 174.474 174.900 0.031 0.000 1.421 259 G CA 0.311 45.436 45.100 0.042 0.000 1.059 259 G HN 0.436 nan 8.290 nan 0.000 0.535 260 D N -0.355 120.042 120.400 -0.004 0.000 2.451 260 D HA 0.285 4.922 4.640 -0.004 0.000 0.254 260 D C 1.363 177.696 176.300 0.055 0.000 1.204 260 D CA 0.669 54.678 54.000 0.016 0.000 0.896 260 D CB 0.844 41.639 40.800 -0.008 0.000 1.136 260 D HN 0.396 nan 8.370 nan 0.000 0.499 261 A N 3.405 126.258 122.820 0.054 0.000 2.172 261 A HA -0.013 4.304 4.320 -0.004 0.000 0.216 261 A C 1.966 179.590 177.584 0.067 0.000 1.154 261 A CA 1.731 53.808 52.037 0.066 0.000 0.701 261 A CB -0.662 18.368 19.000 0.050 0.000 0.789 261 A HN 0.695 nan 8.150 nan 0.000 0.465 262 E N 0.019 120.253 120.200 0.057 0.000 2.122 262 E HA 0.072 4.420 4.350 -0.004 0.000 0.190 262 E C 1.759 178.395 176.600 0.060 0.000 0.977 262 E CA 1.005 57.434 56.400 0.049 0.000 0.820 262 E CB -0.610 29.113 29.700 0.037 0.000 0.770 262 E HN 0.689 nan 8.360 nan 0.000 0.462 263 I N 0.639 121.257 120.570 0.080 0.000 2.406 263 I HA -0.144 4.024 4.170 -0.004 0.000 0.249 263 I C 2.662 178.875 176.117 0.159 0.000 1.122 263 I CA 1.479 62.841 61.300 0.102 0.000 1.431 263 I CB 0.029 38.099 38.000 0.117 0.000 1.087 263 I HN 0.217 nan 8.210 nan 0.000 0.424 264 T N 0.557 115.251 114.554 0.233 0.000 2.788 264 T HA -0.181 4.166 4.350 -0.004 0.000 0.268 264 T C 2.390 177.193 174.700 0.171 0.000 1.044 264 T CA 1.861 64.180 62.100 0.365 0.000 1.139 264 T CB -0.338 68.711 68.868 0.301 0.000 0.867 264 T HN 0.474 nan 8.240 nan 0.000 0.454 265 R N 0.882 121.442 120.500 0.100 0.000 2.066 265 R HA 0.141 4.479 4.340 -0.004 0.000 0.232 265 R C 2.261 178.571 176.300 0.016 0.000 1.131 265 R CA 1.636 57.767 56.100 0.052 0.000 0.955 265 R CB -1.496 28.829 30.300 0.042 0.000 0.851 265 R HN 0.406 nan 8.270 nan 0.000 0.432 266 L N 0.553 121.784 121.223 0.012 0.000 1.989 266 L HA -0.110 4.228 4.340 -0.004 0.000 0.211 266 L C 2.465 179.302 176.870 -0.056 0.000 1.071 266 L CA 2.050 56.884 54.840 -0.011 0.000 0.749 266 L CB -0.727 41.332 42.059 -0.000 0.000 0.890 266 L HN 0.182 nan 8.230 nan 0.000 0.431 267 V N 0.173 120.015 119.914 -0.120 0.000 2.231 267 V HA -0.356 3.762 4.120 -0.004 0.000 0.248 267 V C 2.585 178.546 176.094 -0.221 0.000 1.054 267 V CA 2.404 64.545 62.300 -0.264 0.000 1.015 267 V CB -0.680 30.731 31.823 -0.687 0.000 0.638 267 V HN 0.562 nan 8.190 nan 0.000 0.444 268 E N -0.858 119.233 120.200 -0.181 0.000 2.268 268 E HA -0.181 4.167 4.350 -0.004 0.000 0.195 268 E C 2.012 178.587 176.600 -0.041 0.000 0.995 268 E CA 0.866 57.213 56.400 -0.088 0.000 0.836 268 E CB -0.023 29.672 29.700 -0.008 0.000 0.763 268 E HN 0.668 nan 8.360 nan 0.000 0.491 269 E N 0.469 120.650 120.200 -0.032 0.000 2.452 269 E HA 0.046 4.394 4.350 -0.004 0.000 0.197 269 E C 0.417 177.008 176.600 -0.015 0.000 1.022 269 E CA -0.258 56.133 56.400 -0.015 0.000 0.890 269 E CB 0.528 30.225 29.700 -0.004 0.000 0.918 269 E HN -0.077 nan 8.360 nan 0.000 0.496 270 S N 1.931 117.615 115.700 -0.026 0.000 2.558 270 S HA -0.081 4.386 4.470 -0.004 0.000 0.291 270 S C 0.562 175.159 174.600 -0.006 0.000 1.306 270 S CA 0.181 58.372 58.200 -0.015 0.000 1.056 270 S CB 0.431 63.618 63.200 -0.021 0.000 0.836 270 S HN 0.278 nan 8.310 nan 0.000 0.504 271 D N 2.091 122.492 120.400 0.001 0.000 2.440 271 D HA 0.213 4.850 4.640 -0.004 0.000 0.216 271 D C 0.305 176.610 176.300 0.009 0.000 1.150 271 D CA -0.062 53.941 54.000 0.005 0.000 0.832 271 D CB -0.098 40.704 40.800 0.003 0.000 0.992 271 D HN 0.540 nan 8.370 nan 0.000 0.502 272 G N 0.978 109.785 108.800 0.013 0.000 3.982 272 G HA2 0.334 4.291 3.960 -0.004 0.000 0.274 272 G HA3 0.334 4.291 3.960 -0.004 0.000 0.274 272 G C -1.434 173.491 174.900 0.042 0.000 1.847 272 G CA -0.622 44.489 45.100 0.017 0.000 0.608 272 G HN 0.138 nan 8.290 nan 0.000 0.407 273 L N 1.610 122.866 121.223 0.056 0.000 2.290 273 L HA 0.765 5.102 4.340 -0.004 0.000 0.284 273 L C -1.051 175.936 176.870 0.194 0.000 1.078 273 L CA -1.208 53.684 54.840 0.085 0.000 0.815 273 L CB 0.764 42.843 42.059 0.034 0.000 1.162 273 L HN 0.229 nan 8.230 nan 0.000 0.435 274 F N 6.710 126.663 119.950 0.005 0.000 2.359 274 F HA 0.418 4.942 4.527 -0.005 0.000 0.370 274 F C -0.845 174.975 175.800 0.033 0.000 1.077 274 F CA -1.459 56.553 58.000 0.021 0.000 1.136 274 F CB 0.377 39.384 39.000 0.013 0.000 1.387 274 F HN 0.263 nan 8.300 nan 0.000 0.468 275 L N 6.706 127.983 121.223 0.090 0.000 2.385 275 L HA 0.170 4.507 4.340 -0.004 0.000 0.285 275 L C -0.154 176.617 176.870 -0.165 0.000 1.125 275 L CA -0.526 54.299 54.840 -0.024 0.000 0.890 275 L CB 0.240 42.357 42.059 0.096 0.000 1.251 275 L HN 0.393 nan 8.230 nan 0.000 0.445 276 L N 4.518 125.498 121.223 -0.405 0.000 2.356 276 L HA 0.416 4.753 4.340 -0.004 0.000 0.282 276 L C 1.016 177.812 176.870 -0.124 0.000 1.132 276 L CA 0.499 55.074 54.840 -0.443 0.000 0.923 276 L CB 0.139 41.822 42.059 -0.627 0.000 1.278 276 L HN 0.755 nan 8.230 nan 0.000 0.436 277 G N 3.099 111.910 108.800 0.019 0.000 2.182 277 G HA2 -0.134 3.823 3.960 -0.004 0.000 0.248 277 G HA3 -0.134 3.823 3.960 -0.004 0.000 0.248 277 G C 0.317 175.349 174.900 0.220 0.000 1.042 277 G CA 0.158 45.375 45.100 0.195 0.000 0.775 277 G HN 1.071 nan 8.290 nan 0.000 0.501 278 A N -0.855 122.023 122.820 0.096 0.000 2.274 278 A HA 0.920 5.237 4.320 -0.004 0.000 0.297 278 A C 0.303 177.581 177.584 -0.511 0.000 1.191 278 A CA -0.456 51.541 52.037 -0.067 0.000 0.889 278 A CB 0.817 19.796 19.000 -0.035 0.000 1.294 278 A HN 0.862 nan 8.150 nan 0.000 0.506 279 I N 0.009 120.271 120.570 -0.514 0.000 2.498 279 I HA 0.316 4.484 4.170 -0.004 0.000 0.290 279 I C -0.969 174.811 176.117 -0.562 0.000 1.032 279 I CA -0.210 60.633 61.300 -0.761 0.000 1.073 279 I CB 1.696 39.382 38.000 -0.523 0.000 1.251 279 I HN 0.394 nan 8.210 nan 0.000 0.426 280 L N 4.707 125.592 121.223 -0.563 0.000 2.289 280 L HA 0.617 4.954 4.340 -0.004 0.000 0.285 280 L C -0.019 176.685 176.870 -0.277 0.000 1.049 280 L CA -0.128 54.463 54.840 -0.416 0.000 0.804 280 L CB 1.629 43.420 42.059 -0.446 0.000 1.195 280 L HN 0.691 nan 8.230 nan 0.000 0.428 281 S N 1.530 117.095 115.700 -0.226 0.000 2.658 281 S HA 0.092 4.559 4.470 -0.004 0.000 0.312 281 S C -1.557 172.966 174.600 -0.127 0.000 1.006 281 S CA -0.917 57.184 58.200 -0.164 0.000 0.855 281 S CB 0.935 64.021 63.200 -0.190 0.000 1.053 281 S HN 0.630 nan 8.310 nan 0.000 0.455 282 D N 3.962 124.315 120.400 -0.079 0.000 2.498 282 D HA 0.245 4.883 4.640 -0.004 0.000 0.229 282 D C -0.128 176.140 176.300 -0.053 0.000 1.188 282 D CA 0.157 54.124 54.000 -0.056 0.000 1.028 282 D CB 0.166 40.941 40.800 -0.041 0.000 1.087 282 D HN 0.417 nan 8.370 nan 0.000 0.510 283 T N 0.720 115.236 114.554 -0.063 0.000 4.152 283 T HA 0.138 4.485 4.350 -0.004 0.000 0.237 283 T C 0.641 175.302 174.700 -0.066 0.000 0.971 283 T CA -0.607 61.463 62.100 -0.050 0.000 1.328 283 T CB 0.177 69.023 68.868 -0.036 0.000 0.912 283 T HN 0.451 nan 8.240 nan 0.000 0.587 284 N N 0.073 118.716 118.700 -0.095 0.000 3.417 284 N HA -0.266 4.471 4.740 -0.004 0.000 0.217 284 N C 0.036 175.374 175.510 -0.287 0.000 0.446 284 N CA 1.803 54.690 53.050 -0.271 0.000 2.117 284 N CB -1.001 37.156 38.487 -0.549 0.000 1.542 284 N HN 0.276 nan 8.380 nan 0.000 0.357 285 F N 1.524 121.472 119.950 -0.004 0.000 2.698 285 F HA 0.480 5.006 4.527 -0.002 0.000 0.295 285 F C 1.309 177.207 175.800 0.164 0.000 1.124 285 F CA 0.628 58.637 58.000 0.014 0.000 1.426 285 F CB -0.144 38.732 39.000 -0.206 0.000 1.120 285 F HN 0.296 nan 8.300 nan 0.000 0.583 286 A N 0.785 123.708 122.820 0.170 0.000 2.498 286 A HA 0.324 4.642 4.320 -0.004 0.000 0.239 286 A C 0.253 177.776 177.584 -0.103 0.000 1.068 286 A CA -0.404 51.413 52.037 -0.367 0.000 0.766 286 A CB -0.057 18.481 19.000 -0.770 0.000 1.003 286 A HN 0.000 nan 8.150 nan 0.000 0.497 287 V N 3.724 123.597 119.914 -0.069 0.000 2.416 287 V HA 0.065 4.183 4.120 -0.004 0.000 0.267 287 V C 1.198 177.267 176.094 -0.043 0.000 1.007 287 V CA 0.616 62.952 62.300 0.061 0.000 1.102 287 V CB -0.416 31.421 31.823 0.022 0.000 1.035 287 V HN 0.926 nan 8.190 nan 0.000 0.473 288 S N 3.936 119.647 115.700 0.017 0.000 2.572 288 S HA 0.092 4.559 4.470 -0.004 0.000 0.279 288 S C 1.282 175.861 174.600 -0.034 0.000 1.341 288 S CA -0.103 58.082 58.200 -0.025 0.000 1.043 288 S CB 1.091 64.293 63.200 0.004 0.000 0.887 288 S HN 0.868 nan 8.310 nan 0.000 0.516 289 Q N 3.380 123.147 119.800 -0.054 0.000 2.311 289 Q HA 0.093 4.431 4.340 -0.004 0.000 0.203 289 Q C 1.643 177.631 176.000 -0.021 0.000 0.954 289 Q CA 0.775 56.550 55.803 -0.048 0.000 0.885 289 Q CB -0.108 28.599 28.738 -0.052 0.000 0.963 289 Q HN 0.656 nan 8.270 nan 0.000 0.471 290 R N 0.210 120.702 120.500 -0.013 0.000 2.299 290 R HA 0.111 4.448 4.340 -0.004 0.000 0.197 290 R C 1.272 177.576 176.300 0.007 0.000 0.971 290 R CA 0.371 56.469 56.100 -0.005 0.000 1.030 290 R CB 0.291 30.585 30.300 -0.009 0.000 0.932 290 R HN 0.130 nan 8.270 nan 0.000 0.477 291 K N 0.528 120.940 120.400 0.019 0.000 2.308 291 K HA 0.149 4.466 4.320 -0.004 0.000 0.197 291 K C 1.349 177.959 176.600 0.017 0.000 1.049 291 K CA 0.414 56.726 56.287 0.041 0.000 0.991 291 K CB 0.447 33.010 32.500 0.106 0.000 0.836 291 K HN 0.231 nan 8.250 nan 0.000 0.500 292 I N -1.579 118.989 120.570 -0.003 0.000 3.062 292 I HA 0.333 4.501 4.170 -0.004 0.000 0.316 292 I C -0.198 175.914 176.117 -0.007 0.000 1.041 292 I CA -0.725 60.562 61.300 -0.021 0.000 1.069 292 I CB 1.082 39.058 38.000 -0.040 0.000 1.300 292 I HN -0.277 nan 8.210 nan 0.000 0.518 293 D N 2.579 122.976 120.400 -0.004 0.000 2.638 293 D HA 0.260 4.898 4.640 -0.004 0.000 0.245 293 D C 1.112 177.424 176.300 0.021 0.000 1.176 293 D CA -0.198 53.808 54.000 0.009 0.000 0.996 293 D CB 0.361 41.166 40.800 0.008 0.000 1.012 293 D HN 0.661 nan 8.370 nan 0.000 0.515 294 L N 1.700 122.936 121.223 0.023 0.000 2.211 294 L HA -0.256 4.081 4.340 -0.004 0.000 0.216 294 L C 2.421 179.330 176.870 0.064 0.000 1.092 294 L CA 1.294 56.158 54.840 0.040 0.000 0.767 294 L CB -0.041 42.039 42.059 0.036 0.000 0.894 294 L HN 0.249 nan 8.230 nan 0.000 0.437 295 R N -0.280 120.255 120.500 0.059 0.000 2.120 295 R HA -0.103 4.235 4.340 -0.004 0.000 0.234 295 R C 0.726 177.064 176.300 0.063 0.000 1.123 295 R CA 0.825 56.967 56.100 0.069 0.000 0.975 295 R CB -0.144 30.185 30.300 0.050 0.000 0.866 295 R HN 0.153 nan 8.270 nan 0.000 0.446 296 K N 1.051 121.480 120.400 0.049 0.000 2.981 296 K HA 0.222 4.539 4.320 -0.004 0.000 0.213 296 K C -0.620 176.012 176.600 0.053 0.000 1.154 296 K CA 0.110 56.423 56.287 0.043 0.000 1.111 296 K CB 1.432 33.947 32.500 0.026 0.000 0.975 296 K HN -0.016 nan 8.250 nan 0.000 0.462 297 T N 0.713 115.312 114.554 0.075 0.000 2.887 297 T HA 0.561 4.908 4.350 -0.004 0.000 0.288 297 T C -0.272 174.514 174.700 0.143 0.000 1.021 297 T CA -0.542 61.618 62.100 0.099 0.000 1.000 297 T CB 1.584 70.503 68.868 0.086 0.000 1.034 297 T HN -0.048 nan 8.240 nan 0.000 0.467 298 I N 2.776 123.468 120.570 0.204 0.000 2.502 298 I HA 0.216 4.383 4.170 -0.004 0.000 0.276 298 I C -0.399 175.947 176.117 0.382 0.000 1.057 298 I CA -0.575 60.881 61.300 0.259 0.000 1.163 298 I CB 0.447 38.552 38.000 0.175 0.000 1.288 298 I HN 0.622 nan 8.210 nan 0.000 0.479 299 H N 5.821 124.997 119.070 0.177 0.000 2.741 299 H HA 0.747 5.301 4.556 -0.004 0.000 0.282 299 H C -0.423 175.003 175.328 0.164 0.000 1.122 299 H CA -0.716 55.409 56.048 0.128 0.000 1.293 299 H CB 0.799 30.603 29.762 0.070 0.000 1.415 299 H HN 0.591 nan 8.280 nan 0.000 0.472 300 A N 5.871 128.661 122.820 -0.050 0.000 2.260 300 A HA 0.536 4.853 4.320 -0.004 0.000 0.312 300 A C -1.340 176.195 177.584 -0.082 0.000 1.321 300 A CA -0.365 51.632 52.037 -0.068 0.000 0.928 300 A CB -0.542 18.488 19.000 0.050 0.000 1.158 300 A HN 0.607 nan 8.150 nan 0.000 0.542 301 F N 1.078 120.802 119.950 -0.377 0.000 2.713 301 F HA 0.338 4.862 4.527 -0.004 0.000 0.311 301 F C -0.445 175.302 175.800 -0.088 0.000 1.141 301 F CA -0.984 56.877 58.000 -0.230 0.000 0.939 301 F CB 1.443 40.248 39.000 -0.326 0.000 1.325 301 F HN 0.692 nan 8.300 nan 0.000 0.453 302 D N 3.591 123.577 120.400 -0.690 0.000 2.706 302 D HA -0.248 4.390 4.640 -0.004 0.000 0.230 302 D C 0.190 176.398 176.300 -0.153 0.000 1.184 302 D CA 1.447 55.180 54.000 -0.444 0.000 0.628 302 D CB -0.436 40.185 40.800 -0.298 0.000 1.019 302 D HN 0.746 nan 8.370 nan 0.000 0.415 303 R N -3.207 117.217 120.500 -0.127 0.000 3.422 303 R HA -0.142 4.195 4.340 -0.004 0.000 0.267 303 R C 0.165 176.468 176.300 0.004 0.000 1.074 303 R CA 1.148 57.214 56.100 -0.058 0.000 0.718 303 R CB -1.839 28.442 30.300 -0.032 0.000 1.157 303 R HN 0.450 nan 8.270 nan 0.000 0.440 304 A N -0.761 122.060 122.820 0.002 0.000 2.588 304 A HA 0.841 5.158 4.320 -0.004 0.000 0.290 304 A C -1.025 176.574 177.584 0.025 0.000 1.136 304 A CA -0.563 51.497 52.037 0.039 0.000 0.681 304 A CB 2.102 21.138 19.000 0.060 0.000 1.282 304 A HN 0.053 nan 8.150 nan 0.000 0.421 305 V N 0.570 120.524 119.914 0.066 0.000 2.711 305 V HA 0.631 4.749 4.120 -0.004 0.000 0.304 305 V C -0.345 175.832 176.094 0.139 0.000 1.097 305 V CA -0.393 61.945 62.300 0.064 0.000 0.906 305 V CB 1.794 33.617 31.823 0.000 0.000 1.015 305 V HN 1.036 nan 8.190 nan 0.000 0.427 306 T N 5.314 119.956 114.554 0.147 0.000 2.942 306 T HA 0.928 5.275 4.350 -0.004 0.000 0.289 306 T C -1.002 173.818 174.700 0.201 0.000 1.044 306 T CA -0.586 61.629 62.100 0.193 0.000 1.023 306 T CB 1.600 70.591 68.868 0.205 0.000 1.123 306 T HN 0.738 nan 8.240 nan 0.000 0.512 307 L N -0.905 120.448 121.223 0.217 0.000 3.188 307 L HA 0.574 4.912 4.340 -0.004 0.000 0.220 307 L C 0.029 177.029 176.870 0.216 0.000 1.002 307 L CA -0.599 54.358 54.840 0.195 0.000 1.228 307 L CB -0.617 41.543 42.059 0.169 0.000 1.540 307 L HN 0.996 nan 8.230 nan 0.000 0.655 308 G N 0.771 109.689 108.800 0.197 0.000 2.675 308 G HA2 -0.145 3.813 3.960 -0.004 0.000 0.196 308 G HA3 -0.145 3.813 3.960 -0.004 0.000 0.196 308 G C 0.022 175.109 174.900 0.312 0.000 0.679 308 G CA 0.395 45.630 45.100 0.225 0.000 0.886 308 G HN 1.318 nan 8.290 nan 0.000 0.320 309 Y N -0.519 119.828 120.300 0.078 0.000 3.396 309 Y HA -0.233 4.314 4.550 -0.005 0.000 0.214 309 Y C 0.874 176.833 175.900 0.098 0.000 1.203 309 Y CA 2.166 60.296 58.100 0.050 0.000 1.401 309 Y CB -1.567 36.887 38.460 -0.010 0.000 1.409 309 Y HN 1.076 nan 8.280 nan 0.000 0.594 310 H N -1.540 117.598 119.070 0.114 0.000 3.151 310 H HA 0.425 4.978 4.556 -0.005 0.000 0.333 310 H C -0.944 174.450 175.328 0.110 0.000 1.093 310 H CA -0.355 55.742 56.048 0.082 0.000 1.342 310 H CB 1.392 31.221 29.762 0.112 0.000 1.983 310 H HN 0.002 nan 8.280 nan 0.000 0.503 311 T N 4.110 118.720 114.554 0.093 0.000 3.031 311 T HA 0.183 4.530 4.350 -0.004 0.000 0.305 311 T C -1.114 173.581 174.700 -0.008 0.000 0.985 311 T CA -0.571 61.581 62.100 0.087 0.000 1.008 311 T CB 0.374 69.296 68.868 0.090 0.000 1.005 311 T HN 0.288 nan 8.240 nan 0.000 0.444 312 Y N 1.968 122.207 120.300 -0.101 0.000 2.336 312 Y HA 0.569 5.116 4.550 -0.005 0.000 0.335 312 Y C 0.845 176.727 175.900 -0.030 0.000 1.046 312 Y CA -0.731 57.312 58.100 -0.094 0.000 1.198 312 Y CB 0.834 39.236 38.460 -0.097 0.000 1.182 312 Y HN 0.772 nan 8.280 nan 0.000 0.502 313 A N 1.963 124.847 122.820 0.106 0.000 2.269 313 A HA 0.433 4.750 4.320 -0.004 0.000 0.327 313 A C -0.096 177.542 177.584 0.090 0.000 1.112 313 A CA -0.636 51.452 52.037 0.085 0.000 0.865 313 A CB 0.289 19.321 19.000 0.054 0.000 1.227 313 A HN 0.911 nan 8.150 nan 0.000 0.498 314 D N -0.602 119.851 120.400 0.088 0.000 2.746 314 D HA -0.138 4.500 4.640 -0.004 0.000 0.241 314 D C -0.797 175.546 176.300 0.072 0.000 1.140 314 D CA 1.164 55.220 54.000 0.092 0.000 0.707 314 D CB -1.012 39.836 40.800 0.079 0.000 1.034 314 D HN 0.504 nan 8.370 nan 0.000 0.423 315 I N 0.767 121.368 120.570 0.052 0.000 2.714 315 I HA 0.159 4.326 4.170 -0.004 0.000 0.276 315 I C -2.125 173.982 176.117 -0.017 0.000 1.196 315 I CA -1.567 59.745 61.300 0.020 0.000 1.068 315 I CB 1.760 39.772 38.000 0.019 0.000 1.291 315 I HN -0.244 nan 8.210 nan 0.000 0.530 316 P HA -0.048 nan 4.420 nan 0.000 0.264 316 P C 0.915 178.151 177.300 -0.107 0.000 1.183 316 P CA -0.210 62.812 63.100 -0.130 0.000 0.763 316 P CB 1.726 33.316 31.700 -0.185 0.000 0.807 317 L N 5.165 126.325 121.223 -0.105 0.000 1.965 317 L HA -0.313 4.024 4.340 -0.004 0.000 0.226 317 L C 2.669 179.514 176.870 -0.043 0.000 1.083 317 L CA 2.918 57.737 54.840 -0.034 0.000 0.790 317 L CB -1.824 40.258 42.059 0.039 0.000 0.898 317 L HN 0.585 nan 8.230 nan 0.000 0.439 318 A N -0.772 121.995 122.820 -0.087 0.000 1.916 318 A HA -0.361 3.956 4.320 -0.004 0.000 0.224 318 A C 2.343 179.902 177.584 -0.043 0.000 1.366 318 A CA 2.829 54.825 52.037 -0.067 0.000 0.692 318 A CB -1.854 17.073 19.000 -0.122 0.000 0.841 318 A HN 0.638 nan 8.150 nan 0.000 0.480 319 G N -1.119 107.648 108.800 -0.055 0.000 2.432 319 G HA2 -0.086 3.872 3.960 -0.004 0.000 0.219 319 G HA3 -0.086 3.872 3.960 -0.004 0.000 0.219 319 G C 1.437 176.328 174.900 -0.015 0.000 1.135 319 G CA 1.233 46.314 45.100 -0.032 0.000 0.767 319 G HN 0.600 nan 8.290 nan 0.000 0.550 320 L N 1.022 122.239 121.223 -0.010 0.000 2.046 320 L HA -0.029 4.309 4.340 -0.004 0.000 0.208 320 L C 2.909 179.799 176.870 0.033 0.000 1.077 320 L CA 1.447 56.292 54.840 0.009 0.000 0.747 320 L CB -0.643 41.434 42.059 0.031 0.000 0.896 320 L HN 0.100 nan 8.230 nan 0.000 0.432 321 V N 0.092 120.029 119.914 0.038 0.000 2.214 321 V HA -0.353 3.764 4.120 -0.004 0.000 0.245 321 V C 2.345 178.457 176.094 0.030 0.000 1.047 321 V CA 2.110 64.439 62.300 0.049 0.000 0.998 321 V CB -1.134 30.708 31.823 0.032 0.000 0.633 321 V HN 0.433 nan 8.190 nan 0.000 0.446 322 D N 0.488 120.896 120.400 0.013 0.000 2.191 322 D HA -0.299 4.338 4.640 -0.004 0.000 0.190 322 D C 2.177 178.480 176.300 0.005 0.000 1.007 322 D CA 2.168 56.172 54.000 0.006 0.000 0.865 322 D CB -0.497 40.302 40.800 -0.002 0.000 0.929 322 D HN 0.492 nan 8.370 nan 0.000 0.447 323 A N 1.052 123.873 122.820 0.002 0.000 1.859 323 A HA -0.213 4.104 4.320 -0.004 0.000 0.218 323 A C 2.552 180.134 177.584 -0.004 0.000 1.209 323 A CA 1.694 53.728 52.037 -0.005 0.000 0.639 323 A CB -1.117 17.873 19.000 -0.017 0.000 0.835 323 A HN 0.253 nan 8.150 nan 0.000 0.450 324 L N -0.669 120.557 121.223 0.004 0.000 2.081 324 L HA -0.228 4.109 4.340 -0.004 0.000 0.212 324 L C 2.583 179.460 176.870 0.011 0.000 1.080 324 L CA 1.237 56.080 54.840 0.005 0.000 0.754 324 L CB -0.551 41.527 42.059 0.032 0.000 0.893 324 L HN 0.403 nan 8.230 nan 0.000 0.433 325 L N -0.650 120.584 121.223 0.018 0.000 2.131 325 L HA -0.209 4.128 4.340 -0.004 0.000 0.210 325 L C 2.341 179.215 176.870 0.008 0.000 1.092 325 L CA 1.218 56.067 54.840 0.015 0.000 0.759 325 L CB -0.476 41.592 42.059 0.016 0.000 0.903 325 L HN 0.308 nan 8.230 nan 0.000 0.435 326 E N -0.129 120.074 120.200 0.004 0.000 2.418 326 E HA -0.116 4.231 4.350 -0.004 0.000 0.197 326 E C 1.605 178.204 176.600 -0.001 0.000 1.026 326 E CA 0.442 56.843 56.400 0.001 0.000 0.862 326 E CB 0.139 29.839 29.700 -0.000 0.000 0.799 326 E HN 0.450 nan 8.360 nan 0.000 0.518 327 R N 0.055 120.553 120.500 -0.003 0.000 2.432 327 R HA 0.278 4.615 4.340 -0.004 0.000 0.260 327 R C -0.181 176.116 176.300 -0.005 0.000 0.935 327 R CA -0.025 56.071 56.100 -0.006 0.000 1.080 327 R CB 0.642 30.933 30.300 -0.015 0.000 1.155 327 R HN -0.020 nan 8.270 nan 0.000 0.531 328 L N 2.295 123.518 121.223 0.000 0.000 2.385 328 L HA 0.485 4.822 4.340 -0.004 0.000 0.273 328 L C -2.338 174.535 176.870 0.005 0.000 0.990 328 L CA -2.370 52.471 54.840 0.003 0.000 0.821 328 L CB 2.373 44.436 42.059 0.007 0.000 1.279 328 L HN -0.172 nan 8.230 nan 0.000 0.412 329 P HA 0.247 nan 4.420 nan 0.000 0.271 329 P C -2.620 174.684 177.300 0.006 0.000 1.218 329 P CA -1.238 61.864 63.100 0.004 0.000 0.780 329 P CB 0.078 31.780 31.700 0.003 0.000 0.901 330 P HA 0.102 nan 4.420 nan 0.000 0.270 330 P C -0.135 177.170 177.300 0.007 0.000 1.221 330 P CA 0.426 63.530 63.100 0.007 0.000 0.788 330 P CB 0.316 32.020 31.700 0.006 0.000 0.904 331 S N -0.218 115.487 115.700 0.008 0.000 2.550 331 S HA 0.418 4.885 4.470 -0.004 0.000 0.270 331 S C -1.186 173.419 174.600 0.008 0.000 1.145 331 S CA -0.591 57.614 58.200 0.008 0.000 0.852 331 S CB 0.758 63.964 63.200 0.010 0.000 1.119 331 S HN 0.489 nan 8.310 nan 0.000 0.465 332 D N 0.977 121.381 120.400 0.008 0.000 2.501 332 D HA 0.137 4.775 4.640 -0.004 0.000 0.224 332 D C 0.338 176.643 176.300 0.008 0.000 1.202 332 D CA -0.384 53.620 54.000 0.007 0.000 0.829 332 D CB -0.072 40.731 40.800 0.006 0.000 1.023 332 D HN 0.359 nan 8.370 nan 0.000 0.499 333 R N 1.057 121.562 120.500 0.009 0.000 2.488 333 R HA 0.163 4.501 4.340 -0.004 0.000 0.306 333 R C -0.707 175.600 176.300 0.011 0.000 1.271 333 R CA 0.300 56.406 56.100 0.010 0.000 1.022 333 R CB -0.370 29.937 30.300 0.011 0.000 1.054 333 R HN -0.027 nan 8.270 nan 0.000 0.500 334 T N 2.551 117.111 114.554 0.010 0.000 2.794 334 T HA 0.209 4.557 4.350 -0.004 0.000 0.280 334 T C 0.288 174.994 174.700 0.011 0.000 0.987 334 T CA -0.542 61.565 62.100 0.010 0.000 0.993 334 T CB 1.657 70.530 68.868 0.009 0.000 0.939 334 T HN 0.554 nan 8.240 nan 0.000 0.449 335 T N 0.440 115.002 114.554 0.012 0.000 3.741 335 T HA 0.347 4.695 4.350 -0.004 0.000 0.242 335 T C -0.017 174.692 174.700 0.014 0.000 1.042 335 T CA -0.858 61.250 62.100 0.013 0.000 1.278 335 T CB -0.189 68.687 68.868 0.014 0.000 0.994 335 T HN 0.367 nan 8.240 nan 0.000 0.594 336 R N 0.776 121.284 120.500 0.013 0.000 2.267 336 R HA 0.607 4.945 4.340 -0.004 0.000 0.319 336 R C 1.126 177.434 176.300 0.014 0.000 1.067 336 R CA -0.217 55.892 56.100 0.014 0.000 0.936 336 R CB 1.098 31.406 30.300 0.013 0.000 1.006 336 R HN 0.583 nan 8.270 nan 0.000 0.452 337 G N 2.510 111.319 108.800 0.017 0.000 3.441 337 G HA2 0.274 4.231 3.960 -0.004 0.000 0.195 337 G HA3 0.274 4.231 3.960 -0.004 0.000 0.195 337 G C -0.675 174.235 174.900 0.017 0.000 1.633 337 G CA -0.259 44.851 45.100 0.016 0.000 0.895 337 G HN 0.344 nan 8.290 nan 0.000 0.654 338 K N 0.423 120.834 120.400 0.018 0.000 2.464 338 K HA 0.558 4.876 4.320 -0.004 0.000 0.253 338 K C -0.658 175.954 176.600 0.021 0.000 0.933 338 K CA -0.100 56.199 56.287 0.019 0.000 0.801 338 K CB 1.955 34.465 32.500 0.015 0.000 1.271 338 K HN 0.757 nan 8.250 nan 0.000 0.430 339 E N 2.339 122.553 120.200 0.025 0.000 1.357 339 E HA -0.139 4.208 4.350 -0.004 0.000 0.313 339 E C -1.662 174.953 176.600 0.024 0.000 1.457 339 E CA 0.559 56.971 56.400 0.020 0.000 1.143 339 E CB -1.546 28.154 29.700 -0.001 0.000 0.669 339 E HN 0.504 nan 8.360 nan 0.000 0.334 340 P HA -0.074 nan 4.420 nan 0.000 0.228 340 P C 0.198 177.543 177.300 0.074 0.000 1.151 340 P CA 1.713 64.841 63.100 0.046 0.000 0.770 340 P CB 0.171 31.901 31.700 0.049 0.000 0.786 341 H N -1.261 117.735 119.070 -0.124 0.000 3.154 341 H HA 0.477 5.031 4.556 -0.004 0.000 0.330 341 H C -1.415 173.690 175.328 -0.373 0.000 1.033 341 H CA -0.784 55.118 56.048 -0.243 0.000 1.393 341 H CB 1.416 30.989 29.762 -0.316 0.000 1.951 341 H HN -0.091 nan 8.280 nan 0.000 0.466 342 A N 4.946 127.564 122.820 -0.336 0.000 2.347 342 A HA 0.272 4.589 4.320 -0.004 0.000 0.287 342 A C -1.149 176.091 177.584 -0.573 0.000 1.199 342 A CA -0.248 51.593 52.037 -0.327 0.000 0.851 342 A CB -0.296 18.635 19.000 -0.115 0.000 1.118 342 A HN 0.515 nan 8.150 nan 0.000 0.525 343 Y N 4.362 124.502 120.300 -0.266 0.000 2.393 343 Y HA 0.269 4.817 4.550 -0.004 0.000 0.338 343 Y C -1.518 174.312 175.900 -0.117 0.000 1.029 343 Y CA -2.034 55.924 58.100 -0.238 0.000 1.239 343 Y CB 0.430 38.788 38.460 -0.170 0.000 1.170 343 Y HN 0.542 nan 8.280 nan 0.000 0.515 344 P HA -0.008 nan 4.420 nan 0.000 0.261 344 P C -0.237 177.096 177.300 0.055 0.000 1.183 344 P CA 0.308 63.436 63.100 0.048 0.000 0.761 344 P CB 0.847 32.584 31.700 0.061 0.000 0.785 345 T N -1.781 112.794 114.554 0.035 0.000 2.669 345 T HA 0.658 5.005 4.350 -0.004 0.000 0.283 345 T C 0.449 175.159 174.700 0.017 0.000 1.019 345 T CA -0.338 61.777 62.100 0.025 0.000 1.039 345 T CB 0.906 69.785 68.868 0.019 0.000 1.374 345 T HN 0.544 nan 8.240 nan 0.000 0.523 346 G N 0.717 109.522 108.800 0.010 0.000 2.353 346 G HA2 -0.060 3.897 3.960 -0.004 0.000 0.294 346 G HA3 -0.060 3.897 3.960 -0.004 0.000 0.294 346 G C -0.263 174.641 174.900 0.007 0.000 1.077 346 G CA -0.092 45.012 45.100 0.006 0.000 1.098 346 G HN 1.294 nan 8.290 nan 0.000 0.511 347 L N 0.926 122.152 121.223 0.006 0.000 2.530 347 L HA 0.378 4.716 4.340 -0.004 0.000 0.273 347 L C 0.627 177.498 176.870 0.002 0.000 1.141 347 L CA -0.229 54.614 54.840 0.004 0.000 0.905 347 L CB 0.474 42.535 42.059 0.004 0.000 1.202 347 L HN 0.400 nan 8.230 nan 0.000 0.473 348 Q N 5.513 125.314 119.800 0.002 0.000 2.348 348 Q HA 0.202 4.540 4.340 -0.004 0.000 0.251 348 Q C 0.549 176.548 176.000 -0.001 0.000 1.113 348 Q CA 0.395 56.199 55.803 0.001 0.000 0.902 348 Q CB 0.946 29.685 28.738 0.001 0.000 1.333 348 Q HN 0.833 nan 8.270 nan 0.000 0.457 349 A N 3.766 126.585 122.820 -0.002 0.000 2.711 349 A HA 0.029 4.346 4.320 -0.004 0.000 0.242 349 A C 0.180 177.762 177.584 -0.003 0.000 1.607 349 A CA -0.293 51.742 52.037 -0.003 0.000 1.370 349 A CB -0.771 18.228 19.000 -0.002 0.000 0.934 349 A HN 0.627 nan 8.150 nan 0.000 0.628 350 D N -1.291 119.108 120.400 -0.003 0.000 2.469 350 D HA 0.406 5.044 4.640 -0.004 0.000 0.278 350 D C 1.254 177.551 176.300 -0.004 0.000 1.231 350 D CA 0.081 54.079 54.000 -0.003 0.000 1.075 350 D CB 0.077 40.876 40.800 -0.002 0.000 1.121 350 D HN -0.040 nan 8.370 nan 0.000 0.571 351 G N -1.453 107.344 108.800 -0.004 0.000 3.181 351 G HA2 -0.013 3.944 3.960 -0.004 0.000 0.219 351 G HA3 -0.013 3.944 3.960 -0.004 0.000 0.219 351 G C 0.183 175.080 174.900 -0.005 0.000 1.182 351 G CA -0.234 44.863 45.100 -0.004 0.000 0.791 351 G HN 0.212 nan 8.290 nan 0.000 0.537 352 E N 1.392 121.589 120.200 -0.005 0.000 2.422 352 E HA 0.137 4.484 4.350 -0.004 0.000 0.260 352 E C -1.866 174.729 176.600 -0.008 0.000 1.108 352 E CA -1.752 54.645 56.400 -0.005 0.000 0.943 352 E CB 0.623 30.321 29.700 -0.004 0.000 0.961 352 E HN 0.145 nan 8.360 nan 0.000 0.443 353 P HA 0.114 nan 4.420 nan 0.000 0.274 353 P C 0.117 177.406 177.300 -0.018 0.000 1.264 353 P CA -0.008 63.085 63.100 -0.011 0.000 0.795 353 P CB 0.637 32.333 31.700 -0.007 0.000 1.064 354 I N -0.540 120.013 120.570 -0.027 0.000 2.566 354 I HA 0.557 4.724 4.170 -0.004 0.000 0.303 354 I C 0.417 176.508 176.117 -0.043 0.000 0.983 354 I CA -0.760 60.514 61.300 -0.044 0.000 1.235 354 I CB 1.373 39.329 38.000 -0.072 0.000 1.386 354 I HN 0.371 nan 8.210 nan 0.000 0.494 355 A N 5.330 128.122 122.820 -0.047 0.000 2.520 355 A HA 0.621 4.938 4.320 -0.004 0.000 0.298 355 A C -2.344 175.220 177.584 -0.034 0.000 1.051 355 A CA -1.418 50.603 52.037 -0.027 0.000 0.690 355 A CB 1.463 20.463 19.000 -0.000 0.000 1.281 355 A HN 0.441 nan 8.150 nan 0.000 0.402 356 P HA -0.264 nan 4.420 nan 0.000 0.219 356 P C 1.667 179.011 177.300 0.074 0.000 1.159 356 P CA 1.954 65.095 63.100 0.069 0.000 0.944 356 P CB -0.068 31.752 31.700 0.200 0.000 0.792 357 M N -1.099 118.550 119.600 0.081 0.000 2.260 357 M HA -0.181 4.296 4.480 -0.004 0.000 0.261 357 M C 1.492 177.821 176.300 0.048 0.000 1.066 357 M CA 1.588 56.935 55.300 0.078 0.000 1.082 357 M CB -1.684 30.957 32.600 0.068 0.000 1.388 357 M HN 0.060 nan 8.290 nan 0.000 0.419 358 D N 0.210 120.621 120.400 0.017 0.000 2.103 358 D HA -0.079 4.558 4.640 -0.004 0.000 0.199 358 D C 2.080 178.375 176.300 -0.007 0.000 0.978 358 D CA 0.942 54.943 54.000 0.000 0.000 0.829 358 D CB 0.105 40.894 40.800 -0.019 0.000 0.981 358 D HN 0.263 nan 8.370 nan 0.000 0.464 359 I N 1.721 122.268 120.570 -0.039 0.000 2.208 359 I HA -0.241 3.926 4.170 -0.004 0.000 0.245 359 I C 2.613 178.749 176.117 0.032 0.000 1.097 359 I CA 0.712 61.983 61.300 -0.049 0.000 1.363 359 I CB -1.392 36.513 38.000 -0.160 0.000 1.051 359 I HN -0.129 nan 8.210 nan 0.000 0.413 360 A N 1.110 123.972 122.820 0.070 0.000 1.883 360 A HA -0.219 4.098 4.320 -0.004 0.000 0.217 360 A C 2.520 180.143 177.584 0.065 0.000 1.186 360 A CA 1.581 53.675 52.037 0.095 0.000 0.624 360 A CB -0.578 18.497 19.000 0.124 0.000 0.822 360 A HN 0.347 nan 8.150 nan 0.000 0.444 361 R N -0.632 119.897 120.500 0.049 0.000 2.070 361 R HA -0.078 4.259 4.340 -0.004 0.000 0.232 361 R C 2.580 178.894 176.300 0.023 0.000 1.138 361 R CA 1.247 57.367 56.100 0.034 0.000 0.936 361 R CB -0.675 29.640 30.300 0.026 0.000 0.839 361 R HN 0.496 nan 8.270 nan 0.000 0.429 362 A N 0.894 123.726 122.820 0.021 0.000 1.915 362 A HA -0.226 4.091 4.320 -0.004 0.000 0.220 362 A C 2.422 180.026 177.584 0.034 0.000 1.198 362 A CA 2.208 54.258 52.037 0.022 0.000 0.647 362 A CB -0.926 18.085 19.000 0.019 0.000 0.825 362 A HN 0.169 nan 8.150 nan 0.000 0.456 363 V N 0.477 120.421 119.914 0.049 0.000 2.270 363 V HA -0.236 3.881 4.120 -0.004 0.000 0.245 363 V C 2.307 178.406 176.094 0.008 0.000 1.043 363 V CA 2.179 64.516 62.300 0.063 0.000 1.014 363 V CB -0.965 30.907 31.823 0.082 0.000 0.645 363 V HN 0.577 nan 8.190 nan 0.000 0.447 364 N N 0.249 118.948 118.700 -0.003 0.000 2.166 364 N HA -0.151 4.586 4.740 -0.004 0.000 0.186 364 N C 1.536 177.020 175.510 -0.043 0.000 1.019 364 N CA 1.437 54.464 53.050 -0.039 0.000 0.856 364 N CB -0.461 38.020 38.487 -0.010 0.000 0.993 364 N HN 0.491 nan 8.380 nan 0.000 0.426 365 D N 0.801 121.185 120.400 -0.026 0.000 2.097 365 D HA -0.094 4.543 4.640 -0.004 0.000 0.195 365 D C 1.953 178.216 176.300 -0.062 0.000 0.989 365 D CA 0.697 54.677 54.000 -0.033 0.000 0.827 365 D CB -0.060 40.729 40.800 -0.018 0.000 0.966 365 D HN 0.226 nan 8.370 nan 0.000 0.456 366 R N 0.666 121.116 120.500 -0.083 0.000 2.103 366 R HA -0.119 4.219 4.340 -0.004 0.000 0.242 366 R C 2.428 178.626 176.300 -0.170 0.000 1.142 366 R CA 0.684 56.693 56.100 -0.153 0.000 0.960 366 R CB -0.824 29.328 30.300 -0.248 0.000 0.858 366 R HN 0.168 nan 8.270 nan 0.000 0.439 367 V N 1.253 121.079 119.914 -0.146 0.000 2.237 367 V HA -0.239 3.878 4.120 -0.004 0.000 0.245 367 V C 2.523 178.558 176.094 -0.099 0.000 1.046 367 V CA 1.648 63.869 62.300 -0.132 0.000 1.007 367 V CB -0.465 31.285 31.823 -0.123 0.000 0.638 367 V HN 0.225 nan 8.190 nan 0.000 0.445 368 R N 0.461 120.915 120.500 -0.077 0.000 2.105 368 R HA -0.083 4.255 4.340 -0.004 0.000 0.239 368 R C 2.221 178.489 176.300 -0.054 0.000 1.135 368 R CA 1.509 57.577 56.100 -0.053 0.000 0.967 368 R CB -1.339 28.940 30.300 -0.035 0.000 0.861 368 R HN 0.550 nan 8.270 nan 0.000 0.442 369 A N -0.469 122.312 122.820 -0.065 0.000 2.259 369 A HA 0.114 4.431 4.320 -0.004 0.000 0.212 369 A C 1.517 179.060 177.584 -0.068 0.000 1.178 369 A CA 1.529 53.529 52.037 -0.062 0.000 0.734 369 A CB -0.221 18.736 19.000 -0.071 0.000 0.774 369 A HN 0.480 nan 8.150 nan 0.000 0.481 370 G N -1.883 106.871 108.800 -0.076 0.000 2.316 370 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.203 370 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.203 370 G C 0.326 175.170 174.900 -0.095 0.000 0.999 370 G CA 0.207 45.264 45.100 -0.073 0.000 0.649 370 G HN 0.755 nan 8.290 nan 0.000 0.489 371 Q N 1.036 120.753 119.800 -0.138 0.000 2.414 371 Q HA 0.163 4.500 4.340 -0.004 0.000 0.288 371 Q C -0.444 175.471 176.000 -0.142 0.000 1.086 371 Q CA 0.366 56.057 55.803 -0.187 0.000 0.943 371 Q CB 0.326 28.860 28.738 -0.339 0.000 1.282 371 Q HN 0.311 nan 8.270 nan 0.000 0.438 372 E N 3.986 124.117 120.200 -0.115 0.000 2.259 372 E HA 0.236 4.583 4.350 -0.004 0.000 0.281 372 E C -2.262 174.306 176.600 -0.053 0.000 1.037 372 E CA -1.718 54.643 56.400 -0.065 0.000 0.854 372 E CB 0.961 30.644 29.700 -0.029 0.000 1.051 372 E HN 0.455 nan 8.360 nan 0.000 0.409 373 P HA 0.046 nan 4.420 nan 0.000 0.267 373 P C -0.268 177.036 177.300 0.006 0.000 1.209 373 P CA 0.313 63.389 63.100 -0.041 0.000 0.763 373 P CB 0.481 32.136 31.700 -0.074 0.000 0.816 374 L N 2.677 123.930 121.223 0.050 0.000 2.448 374 L HA 0.438 4.776 4.340 -0.004 0.000 0.258 374 L C 0.714 177.612 176.870 0.047 0.000 1.104 374 L CA -1.145 53.742 54.840 0.077 0.000 0.800 374 L CB 0.587 42.726 42.059 0.133 0.000 1.241 374 L HN 0.262 nan 8.230 nan 0.000 0.472 375 L N 1.430 122.691 121.223 0.064 0.000 2.350 375 L HA 0.457 4.794 4.340 -0.004 0.000 0.275 375 L C -0.713 176.186 176.870 0.047 0.000 1.099 375 L CA -0.160 54.711 54.840 0.053 0.000 0.808 375 L CB 0.868 42.996 42.059 0.115 0.000 1.149 375 L HN 0.371 nan 8.230 nan 0.000 0.442 376 I N 4.414 124.998 120.570 0.023 0.000 2.474 376 I HA 0.549 4.716 4.170 -0.004 0.000 0.294 376 I C -0.231 175.898 176.117 0.021 0.000 1.005 376 I CA -0.654 60.657 61.300 0.018 0.000 1.113 376 I CB 1.854 39.858 38.000 0.007 0.000 1.289 376 I HN 0.648 nan 8.210 nan 0.000 0.436 377 A N 4.718 127.547 122.820 0.015 0.000 2.303 377 A HA 0.905 5.223 4.320 -0.004 0.000 0.320 377 A C -0.526 177.063 177.584 0.009 0.000 1.192 377 A CA -0.455 51.600 52.037 0.030 0.000 0.821 377 A CB 1.191 20.172 19.000 -0.031 0.000 1.188 377 A HN 0.839 nan 8.150 nan 0.000 0.492 378 A N 2.082 124.929 122.820 0.045 0.000 2.401 378 A HA 0.720 5.037 4.320 -0.004 0.000 0.310 378 A C -0.479 177.108 177.584 0.005 0.000 1.075 378 A CA -0.545 51.476 52.037 -0.027 0.000 0.746 378 A CB 1.105 20.060 19.000 -0.075 0.000 1.277 378 A HN 0.789 nan 8.150 nan 0.000 0.425 379 D N 0.235 120.583 120.400 -0.086 0.000 2.507 379 D HA 0.501 5.139 4.640 -0.004 0.000 0.280 379 D C -0.301 175.909 176.300 -0.150 0.000 1.219 379 D CA -0.267 53.673 54.000 -0.100 0.000 1.085 379 D CB 0.971 41.680 40.800 -0.152 0.000 1.134 379 D HN 0.426 nan 8.370 nan 0.000 0.583 380 M N -0.466 119.042 119.600 -0.153 0.000 2.342 380 M HA 0.476 4.954 4.480 -0.004 0.000 0.332 380 M C -0.006 176.219 176.300 -0.124 0.000 1.166 380 M CA 0.348 55.553 55.300 -0.158 0.000 1.086 380 M CB 0.872 33.380 32.600 -0.152 0.000 1.541 380 M HN 0.535 nan 8.290 nan 0.000 0.462 381 G N 3.042 111.797 108.800 -0.075 0.000 2.353 381 G HA2 -0.106 3.851 3.960 -0.004 0.000 0.615 381 G HA3 -0.106 3.851 3.960 -0.004 0.000 0.615 381 G C -0.398 174.557 174.900 0.091 0.000 1.280 381 G CA -0.154 44.944 45.100 -0.004 0.000 1.000 381 G HN 0.710 nan 8.290 nan 0.000 0.516 382 D N -0.553 119.911 120.400 0.107 0.000 2.309 382 D HA -0.099 4.539 4.640 -0.004 0.000 0.212 382 D C 2.619 178.949 176.300 0.050 0.000 0.968 382 D CA 2.367 56.495 54.000 0.214 0.000 0.882 382 D CB -0.382 40.491 40.800 0.123 0.000 0.918 382 D HN 0.895 nan 8.370 nan 0.000 0.503 383 C N -0.660 118.439 119.300 -0.335 0.000 2.411 383 C HA -0.081 4.376 4.460 -0.004 0.000 0.279 383 C C 2.489 177.294 174.990 -0.310 0.000 1.288 383 C CA 0.274 58.831 59.018 -0.768 0.000 1.764 383 C CB -1.482 25.656 27.740 -1.004 0.000 1.974 383 C HN 0.344 nan 8.230 nan 0.000 0.498 384 L N 0.532 121.630 121.223 -0.208 0.000 2.044 384 L HA 0.179 4.517 4.340 -0.004 0.000 0.205 384 L C 2.342 179.111 176.870 -0.169 0.000 1.075 384 L CA 1.805 56.508 54.840 -0.227 0.000 0.747 384 L CB -1.204 40.629 42.059 -0.377 0.000 0.903 384 L HN 0.284 nan 8.230 nan 0.000 0.435 385 F N -0.113 119.816 119.950 -0.036 0.000 2.161 385 F HA -0.192 4.333 4.527 -0.004 0.000 0.300 385 F C 2.377 178.207 175.800 0.051 0.000 1.089 385 F CA 1.781 59.792 58.000 0.019 0.000 1.282 385 F CB -1.375 37.647 39.000 0.035 0.000 1.010 385 F HN 0.067 nan 8.300 nan 0.000 0.485 386 T N -0.319 114.378 114.554 0.239 0.000 2.777 386 T HA -0.115 4.232 4.350 -0.004 0.000 0.266 386 T C 2.311 177.117 174.700 0.177 0.000 1.040 386 T CA 1.150 63.389 62.100 0.231 0.000 1.141 386 T CB -0.609 68.458 68.868 0.332 0.000 0.868 386 T HN 0.297 nan 8.240 nan 0.000 0.444 387 A N 1.514 124.393 122.820 0.098 0.000 2.024 387 A HA -0.031 4.286 4.320 -0.004 0.000 0.220 387 A C 2.239 179.874 177.584 0.084 0.000 1.164 387 A CA 1.264 53.341 52.037 0.068 0.000 0.643 387 A CB -0.757 18.241 19.000 -0.003 0.000 0.806 387 A HN 0.455 nan 8.150 nan 0.000 0.451 388 M N -0.451 119.203 119.600 0.090 0.000 2.539 388 M HA -0.096 4.382 4.480 -0.004 0.000 0.261 388 M C 0.129 176.602 176.300 0.289 0.000 1.069 388 M CA 1.028 56.399 55.300 0.118 0.000 1.081 388 M CB -0.114 32.524 32.600 0.063 0.000 1.412 388 M HN 0.257 nan 8.290 nan 0.000 0.482 389 D N -0.024 120.553 120.400 0.296 0.000 2.501 389 D HA 0.276 4.913 4.640 -0.004 0.000 0.226 389 D C -0.064 176.470 176.300 0.389 0.000 1.198 389 D CA 0.251 54.471 54.000 0.367 0.000 0.830 389 D CB 0.445 41.397 40.800 0.252 0.000 1.014 389 D HN 0.323 nan 8.370 nan 0.000 0.496 390 M N 0.465 120.221 119.600 0.260 0.000 2.578 390 M HA 0.435 4.913 4.480 -0.004 0.000 0.321 390 M C -0.019 176.103 176.300 -0.297 0.000 1.182 390 M CA -0.823 54.492 55.300 0.026 0.000 0.965 390 M CB 2.733 35.356 32.600 0.037 0.000 1.694 390 M HN -0.294 nan 8.290 nan 0.000 0.461 391 I N 2.252 122.526 120.570 -0.493 0.000 2.352 391 I HA 0.162 4.329 4.170 -0.004 0.000 0.290 391 I C -0.526 175.428 176.117 -0.273 0.000 1.036 391 I CA -0.136 60.791 61.300 -0.623 0.000 1.336 391 I CB 0.242 37.913 38.000 -0.548 0.000 1.407 391 I HN 0.712 nan 8.210 nan 0.000 0.497 392 D N 4.933 125.205 120.400 -0.213 0.000 2.614 392 D HA 0.668 5.306 4.640 -0.004 0.000 0.264 392 D C -0.515 175.732 176.300 -0.089 0.000 1.092 392 D CA -0.869 53.067 54.000 -0.108 0.000 1.071 392 D CB 1.741 42.495 40.800 -0.076 0.000 1.443 392 D HN 0.405 nan 8.370 nan 0.000 0.528 393 A N -0.128 122.659 122.820 -0.055 0.000 2.855 393 A HA 0.749 5.066 4.320 -0.004 0.000 0.301 393 A C 0.464 178.014 177.584 -0.058 0.000 1.076 393 A CA 0.135 52.141 52.037 -0.051 0.000 1.004 393 A CB -0.759 18.225 19.000 -0.027 0.000 1.152 393 A HN 1.375 nan 8.150 nan 0.000 0.531 394 G N -0.603 108.155 108.800 -0.070 0.000 2.535 394 G HA2 0.441 4.398 3.960 -0.004 0.000 0.662 394 G HA3 0.441 4.398 3.960 -0.004 0.000 0.662 394 G C -1.612 173.248 174.900 -0.068 0.000 1.417 394 G CA -0.353 44.698 45.100 -0.082 0.000 0.866 394 G HN 1.420 nan 8.290 nan 0.000 0.647 395 L N 2.357 123.521 121.223 -0.098 0.000 2.446 395 L HA 0.853 5.190 4.340 -0.004 0.000 0.268 395 L C -0.323 176.497 176.870 -0.084 0.000 0.975 395 L CA -0.784 53.995 54.840 -0.101 0.000 0.848 395 L CB 1.609 43.558 42.059 -0.183 0.000 1.225 395 L HN 0.693 nan 8.230 nan 0.000 0.410 396 M N 4.735 124.346 119.600 0.018 0.000 2.149 396 M HA 0.838 5.315 4.480 -0.004 0.000 0.342 396 M C -0.462 175.924 176.300 0.143 0.000 1.068 396 M CA -0.283 55.083 55.300 0.111 0.000 0.991 396 M CB 1.678 34.431 32.600 0.254 0.000 1.596 396 M HN 0.835 nan 8.290 nan 0.000 0.439 397 A N 4.741 127.545 122.820 -0.028 0.000 2.599 397 A HA 0.711 5.028 4.320 -0.004 0.000 0.294 397 A C -2.830 174.512 177.584 -0.402 0.000 1.055 397 A CA -0.998 50.934 52.037 -0.175 0.000 0.683 397 A CB 1.327 20.315 19.000 -0.020 0.000 1.278 397 A HN 0.565 nan 8.150 nan 0.000 0.412 398 P HA 0.173 nan 4.420 nan 0.000 0.225 398 P C 0.919 177.993 177.300 -0.377 0.000 1.813 398 P CA 0.446 63.280 63.100 -0.443 0.000 1.013 398 P CB 0.020 31.502 31.700 -0.363 0.000 1.961 399 G N 0.410 108.857 108.800 -0.587 0.000 2.509 399 G HA2 -0.203 3.754 3.960 -0.004 0.000 0.218 399 G HA3 -0.203 3.754 3.960 -0.004 0.000 0.218 399 G C 0.510 175.158 174.900 -0.420 0.000 1.124 399 G CA 0.667 45.199 45.100 -0.946 0.000 0.776 399 G HN 0.262 nan 8.290 nan 0.000 0.547 400 Y N -2.340 117.866 120.300 -0.156 0.000 2.576 400 Y HA 0.242 4.789 4.550 -0.005 0.000 0.282 400 Y C 2.162 178.062 175.900 0.000 0.000 1.139 400 Y CA -0.961 57.101 58.100 -0.063 0.000 1.265 400 Y CB -1.006 37.450 38.460 -0.006 0.000 1.376 400 Y HN 0.114 nan 8.280 nan 0.000 0.511 401 Y N 1.723 122.057 120.300 0.056 0.000 2.165 401 Y HA 0.044 4.592 4.550 -0.003 0.000 0.286 401 Y C 1.682 177.559 175.900 -0.038 0.000 1.155 401 Y CA 1.195 59.303 58.100 0.013 0.000 1.164 401 Y CB -0.583 37.878 38.460 0.002 0.000 0.978 401 Y HN 0.186 nan 8.280 nan 0.000 0.513 402 A N -0.203 122.573 122.820 -0.074 0.000 2.667 402 A HA -0.088 4.229 4.320 -0.004 0.000 0.298 402 A C 0.601 178.036 177.584 -0.249 0.000 1.483 402 A CA 0.789 52.719 52.037 -0.179 0.000 0.738 402 A CB -1.985 16.914 19.000 -0.168 0.000 1.067 402 A HN 0.944 nan 8.150 nan 0.000 0.451 403 G N -0.534 108.149 108.800 -0.195 0.000 2.416 403 G HA2 0.622 4.579 3.960 -0.004 0.000 0.324 403 G HA3 0.622 4.579 3.960 -0.004 0.000 0.324 403 G C -0.137 174.717 174.900 -0.077 0.000 1.194 403 G CA -0.675 44.323 45.100 -0.171 0.000 0.922 403 G HN 0.505 nan 8.290 nan 0.000 0.467 404 M N 1.306 120.846 119.600 -0.101 0.000 2.241 404 M HA 0.443 4.920 4.480 -0.004 0.000 0.335 404 M C 1.434 177.650 176.300 -0.140 0.000 1.122 404 M CA 1.580 56.809 55.300 -0.120 0.000 1.164 404 M CB 1.269 33.797 32.600 -0.119 0.000 1.459 404 M HN 0.979 nan 8.290 nan 0.000 0.461 405 G N 0.866 109.516 108.800 -0.250 0.000 2.339 405 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.209 405 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.209 405 G C 0.605 175.014 174.900 -0.817 0.000 1.015 405 G CA 0.286 45.153 45.100 -0.389 0.000 0.635 405 G HN 0.705 nan 8.290 nan 0.000 0.499 406 F N 2.650 121.873 119.950 -1.212 0.000 2.120 406 F HA 0.077 4.601 4.527 -0.004 0.000 0.300 406 F C 2.539 178.017 175.800 -0.537 0.000 1.095 406 F CA 3.032 60.366 58.000 -1.110 0.000 1.249 406 F CB -0.548 38.092 39.000 -0.600 0.000 0.995 406 F HN 0.376 nan 8.300 nan 0.000 0.480 407 G N 0.441 109.101 108.800 -0.234 0.000 2.863 407 G HA2 -0.365 3.593 3.960 -0.004 0.000 0.217 407 G HA3 -0.365 3.593 3.960 -0.004 0.000 0.217 407 G C 1.689 176.402 174.900 -0.312 0.000 1.315 407 G CA 2.133 47.108 45.100 -0.209 0.000 0.796 407 G HN 0.335 nan 8.290 nan 0.000 0.669 408 V N 2.589 122.315 119.914 -0.312 0.000 2.215 408 V HA -0.177 3.940 4.120 -0.004 0.000 0.249 408 V C 0.509 176.408 176.094 -0.324 0.000 1.054 408 V CA 2.803 64.916 62.300 -0.312 0.000 1.012 408 V CB -1.407 30.177 31.823 -0.399 0.000 0.639 408 V HN 0.349 nan 8.190 nan 0.000 0.448 409 P HA -0.151 nan 4.420 nan 0.000 0.218 409 P C 1.488 178.554 177.300 -0.390 0.000 1.146 409 P CA 1.888 64.815 63.100 -0.288 0.000 0.813 409 P CB -0.137 31.480 31.700 -0.138 0.000 0.778 410 A N -0.428 122.057 122.820 -0.560 0.000 1.929 410 A HA 0.027 4.344 4.320 -0.004 0.000 0.216 410 A C 2.436 179.788 177.584 -0.387 0.000 1.176 410 A CA 1.747 53.373 52.037 -0.684 0.000 0.628 410 A CB -1.701 16.447 19.000 -1.420 0.000 0.816 410 A HN 0.272 nan 8.150 nan 0.000 0.444 411 G N 0.071 108.689 108.800 -0.303 0.000 2.402 411 G HA2 -0.125 3.832 3.960 -0.004 0.000 0.216 411 G HA3 -0.125 3.832 3.960 -0.004 0.000 0.216 411 G C 1.521 176.307 174.900 -0.190 0.000 1.162 411 G CA 1.009 45.996 45.100 -0.188 0.000 0.777 411 G HN 0.442 nan 8.290 nan 0.000 0.539 412 I N 1.255 121.690 120.570 -0.224 0.000 2.076 412 I HA -0.137 4.030 4.170 -0.004 0.000 0.237 412 I C 3.166 179.149 176.117 -0.224 0.000 1.059 412 I CA 1.269 62.447 61.300 -0.204 0.000 1.317 412 I CB -0.742 37.128 38.000 -0.217 0.000 1.037 412 I HN 0.247 nan 8.210 nan 0.000 0.398 413 G N 0.419 109.021 108.800 -0.330 0.000 2.505 413 G HA2 -0.332 3.625 3.960 -0.004 0.000 0.220 413 G HA3 -0.332 3.625 3.960 -0.004 0.000 0.220 413 G C 1.792 176.589 174.900 -0.172 0.000 1.145 413 G CA 1.174 46.040 45.100 -0.390 0.000 0.761 413 G HN 0.545 nan 8.290 nan 0.000 0.571 414 A N 0.219 122.916 122.820 -0.206 0.000 1.841 414 A HA -0.161 4.156 4.320 -0.004 0.000 0.216 414 A C 2.303 179.637 177.584 -0.416 0.000 1.199 414 A CA 2.159 54.028 52.037 -0.280 0.000 0.621 414 A CB -0.806 18.107 19.000 -0.146 0.000 0.835 414 A HN 0.433 nan 8.150 nan 0.000 0.445 415 Q N -0.903 118.739 119.800 -0.264 0.000 2.268 415 Q HA -0.236 4.102 4.340 -0.004 0.000 0.210 415 Q C 2.132 178.020 176.000 -0.187 0.000 0.988 415 Q CA 1.805 57.481 55.803 -0.212 0.000 0.883 415 Q CB -0.549 28.117 28.738 -0.121 0.000 0.911 415 Q HN 0.780 nan 8.270 nan 0.000 0.430 416 C N -0.862 118.343 119.300 -0.158 0.000 2.413 416 C HA -0.138 4.319 4.460 -0.004 0.000 0.278 416 C C 2.410 177.342 174.990 -0.096 0.000 1.224 416 C CA 1.070 60.009 59.018 -0.131 0.000 1.732 416 C CB -1.057 26.624 27.740 -0.100 0.000 2.050 416 C HN 0.635 nan 8.230 nan 0.000 0.463 417 V N 0.807 120.650 119.914 -0.117 0.000 3.646 417 V HA 0.125 4.242 4.120 -0.004 0.000 0.277 417 V C 1.529 177.507 176.094 -0.194 0.000 1.274 417 V CA 1.469 63.710 62.300 -0.097 0.000 1.164 417 V CB -1.030 30.782 31.823 -0.019 0.000 0.926 417 V HN 0.571 nan 8.190 nan 0.000 0.442 418 S N 0.536 116.026 115.700 -0.350 0.000 2.710 418 S HA 0.297 4.765 4.470 -0.004 0.000 0.224 418 S C 1.476 176.065 174.600 -0.018 0.000 0.948 418 S CA 0.330 58.364 58.200 -0.276 0.000 0.949 418 S CB -0.916 62.055 63.200 -0.381 0.000 0.778 418 S HN 1.675 nan 8.310 nan 0.000 0.498 419 G N 0.719 109.512 108.800 -0.012 0.000 2.293 419 G HA2 0.093 4.050 3.960 -0.004 0.000 0.271 419 G HA3 0.093 4.050 3.960 -0.004 0.000 0.271 419 G C 1.102 176.016 174.900 0.025 0.000 0.857 419 G CA 0.226 45.337 45.100 0.019 0.000 1.221 419 G HN 1.793 nan 8.290 nan 0.000 0.445 420 G N -0.212 108.595 108.800 0.010 0.000 2.317 420 G HA2 -0.267 3.690 3.960 -0.004 0.000 0.227 420 G HA3 -0.267 3.690 3.960 -0.004 0.000 0.227 420 G C 0.703 175.620 174.900 0.028 0.000 1.042 420 G CA 0.568 45.680 45.100 0.020 0.000 0.623 420 G HN 0.862 nan 8.290 nan 0.000 0.509 421 K N 1.332 121.757 120.400 0.042 0.000 2.436 421 K HA 0.303 4.621 4.320 -0.004 0.000 0.275 421 K C 0.636 177.262 176.600 0.042 0.000 0.999 421 K CA -0.240 56.085 56.287 0.063 0.000 0.980 421 K CB 0.878 33.447 32.500 0.116 0.000 0.919 421 K HN 0.497 nan 8.250 nan 0.000 0.484 422 R N 2.545 123.078 120.500 0.055 0.000 2.349 422 R HA 0.286 4.624 4.340 -0.004 0.000 0.299 422 R C -0.122 176.203 176.300 0.041 0.000 1.027 422 R CA -0.580 55.542 56.100 0.037 0.000 0.958 422 R CB 0.617 30.945 30.300 0.047 0.000 1.047 422 R HN 0.400 nan 8.270 nan 0.000 0.468 423 I N 4.722 125.296 120.570 0.007 0.000 2.460 423 I HA 0.248 4.416 4.170 -0.004 0.000 0.298 423 I C -0.268 175.843 176.117 -0.011 0.000 0.989 423 I CA -0.963 60.343 61.300 0.010 0.000 1.173 423 I CB 1.363 39.350 38.000 -0.020 0.000 1.338 423 I HN 0.494 nan 8.210 nan 0.000 0.456 424 L N 5.276 126.503 121.223 0.006 0.000 2.322 424 L HA 0.609 4.946 4.340 -0.004 0.000 0.279 424 L C -0.257 176.606 176.870 -0.011 0.000 1.036 424 L CA 0.367 55.203 54.840 -0.006 0.000 0.807 424 L CB 1.617 43.696 42.059 0.032 0.000 1.226 424 L HN 0.625 nan 8.230 nan 0.000 0.433 425 T N 4.398 118.941 114.554 -0.018 0.000 2.879 425 T HA 0.577 4.924 4.350 -0.004 0.000 0.290 425 T C -1.036 173.662 174.700 -0.003 0.000 0.993 425 T CA -0.456 61.626 62.100 -0.031 0.000 0.975 425 T CB 1.464 70.292 68.868 -0.067 0.000 0.981 425 T HN 0.581 nan 8.240 nan 0.000 0.439 426 V N 1.531 121.432 119.914 -0.022 0.000 2.409 426 V HA 0.961 5.079 4.120 -0.004 0.000 0.291 426 V C -0.398 175.602 176.094 -0.157 0.000 1.020 426 V CA -0.781 61.502 62.300 -0.028 0.000 0.848 426 V CB 1.263 33.049 31.823 -0.061 0.000 0.990 426 V HN 0.682 nan 8.190 nan 0.000 0.430 427 V N 4.447 124.284 119.914 -0.128 0.000 2.841 427 V HA 0.936 5.054 4.120 -0.004 0.000 0.310 427 V C 0.624 176.634 176.094 -0.141 0.000 1.090 427 V CA 0.478 62.683 62.300 -0.158 0.000 0.930 427 V CB 2.069 33.844 31.823 -0.080 0.000 1.014 427 V HN 1.361 nan 8.190 nan 0.000 0.425 428 G N 3.178 111.884 108.800 -0.158 0.000 2.562 428 G HA2 0.298 4.255 3.960 -0.004 0.000 0.275 428 G HA3 0.298 4.255 3.960 -0.004 0.000 0.275 428 G C 0.647 175.517 174.900 -0.051 0.000 1.196 428 G CA 0.391 45.459 45.100 -0.053 0.000 0.908 428 G HN 0.920 nan 8.290 nan 0.000 0.524 429 D N 0.109 120.510 120.400 0.001 0.000 2.097 429 D HA -0.129 4.508 4.640 -0.004 0.000 0.195 429 D C 2.300 178.594 176.300 -0.010 0.000 0.989 429 D CA 1.383 55.356 54.000 -0.045 0.000 0.827 429 D CB -1.017 39.887 40.800 0.172 0.000 0.966 429 D HN 0.498 nan 8.370 nan 0.000 0.456 430 G N 1.230 110.093 108.800 0.104 0.000 2.513 430 G HA2 -0.265 3.692 3.960 -0.004 0.000 0.219 430 G HA3 -0.265 3.692 3.960 -0.004 0.000 0.219 430 G C 1.865 176.851 174.900 0.143 0.000 1.160 430 G CA 2.112 47.369 45.100 0.263 0.000 0.767 430 G HN 0.552 nan 8.290 nan 0.000 0.571 431 A N 0.074 122.913 122.820 0.031 0.000 1.897 431 A HA 0.176 4.494 4.320 -0.004 0.000 0.215 431 A C 2.190 179.687 177.584 -0.145 0.000 1.181 431 A CA 1.383 53.383 52.037 -0.061 0.000 0.620 431 A CB -0.543 18.393 19.000 -0.107 0.000 0.821 431 A HN 0.401 nan 8.150 nan 0.000 0.443 432 F N 0.953 120.680 119.950 -0.373 0.000 2.250 432 F HA -0.231 4.293 4.527 -0.005 0.000 0.301 432 F C 2.342 177.747 175.800 -0.659 0.000 1.077 432 F CA 1.999 59.636 58.000 -0.606 0.000 1.348 432 F CB -0.110 38.339 39.000 -0.918 0.000 1.040 432 F HN 0.324 nan 8.300 nan 0.000 0.509 433 Q N -0.521 119.169 119.800 -0.183 0.000 2.364 433 Q HA -0.163 4.175 4.340 -0.004 0.000 0.207 433 Q C 1.900 178.070 176.000 0.285 0.000 0.970 433 Q CA 1.477 57.317 55.803 0.062 0.000 0.888 433 Q CB -0.073 28.605 28.738 -0.100 0.000 0.951 433 Q HN 0.542 nan 8.270 nan 0.000 0.469 434 M N -1.128 118.500 119.600 0.047 0.000 2.398 434 M HA -0.016 4.462 4.480 -0.004 0.000 0.261 434 M C 2.040 178.394 176.300 0.090 0.000 1.125 434 M CA 1.576 56.953 55.300 0.128 0.000 1.183 434 M CB 0.192 32.831 32.600 0.063 0.000 1.322 434 M HN 0.154 nan 8.290 nan 0.000 0.467 435 T N -3.609 110.839 114.554 -0.177 0.000 2.955 435 T HA 0.246 4.594 4.350 -0.004 0.000 0.251 435 T C 1.905 176.249 174.700 -0.593 0.000 1.002 435 T CA 0.475 62.445 62.100 -0.215 0.000 0.970 435 T CB -0.555 68.197 68.868 -0.194 0.000 1.091 435 T HN 0.372 nan 8.240 nan 0.000 0.495 436 G N 1.321 109.366 108.800 -1.258 0.000 2.606 436 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.223 436 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.223 436 G C 1.088 174.973 174.900 -1.691 0.000 1.106 436 G CA 1.041 44.648 45.100 -2.488 0.000 0.745 436 G HN 0.759 nan 8.290 nan 0.000 0.597 437 W N 0.682 121.604 121.300 -0.629 0.000 2.699 437 W HA 0.248 4.905 4.660 -0.005 0.000 0.249 437 W C 2.035 178.444 176.519 -0.184 0.000 1.280 437 W CA 0.247 57.450 57.345 -0.236 0.000 1.345 437 W CB 0.105 29.527 29.460 -0.063 0.000 1.128 437 W HN 0.075 nan 8.180 nan 0.000 0.642 438 E N 1.065 121.218 120.200 -0.080 0.000 2.331 438 E HA -0.140 4.207 4.350 -0.004 0.000 0.199 438 E C 1.862 178.390 176.600 -0.121 0.000 1.008 438 E CA 0.822 57.185 56.400 -0.062 0.000 0.843 438 E CB -0.538 29.101 29.700 -0.102 0.000 0.761 438 E HN 0.466 nan 8.360 nan 0.000 0.507 439 L N 0.027 121.105 121.223 -0.242 0.000 2.450 439 L HA -0.076 4.261 4.340 -0.004 0.000 0.224 439 L C 2.145 178.895 176.870 -0.201 0.000 1.149 439 L CA 0.717 55.314 54.840 -0.405 0.000 0.816 439 L CB -0.377 41.163 42.059 -0.866 0.000 0.932 439 L HN 0.130 nan 8.230 nan 0.000 0.449 440 G N -0.597 108.198 108.800 -0.009 0.000 2.559 440 G HA2 -0.181 3.776 3.960 -0.004 0.000 0.216 440 G HA3 -0.181 3.776 3.960 -0.004 0.000 0.216 440 G C 1.293 176.255 174.900 0.104 0.000 1.126 440 G CA 0.215 45.384 45.100 0.116 0.000 0.778 440 G HN 0.378 nan 8.290 nan 0.000 0.543 441 N N -0.316 118.418 118.700 0.055 0.000 2.356 441 N HA -0.030 4.707 4.740 -0.004 0.000 0.178 441 N C 1.911 177.462 175.510 0.067 0.000 1.075 441 N CA 0.104 53.192 53.050 0.063 0.000 0.889 441 N CB -0.032 38.484 38.487 0.048 0.000 0.999 441 N HN 0.157 nan 8.380 nan 0.000 0.464 442 C N 1.736 121.076 119.300 0.068 0.000 2.363 442 C HA -0.258 4.199 4.460 -0.004 0.000 0.274 442 C C 3.241 178.303 174.990 0.119 0.000 1.183 442 C CA 2.043 61.123 59.018 0.103 0.000 1.771 442 C CB -1.215 26.667 27.740 0.237 0.000 2.059 442 C HN 0.626 nan 8.230 nan 0.000 0.455 443 R N 0.378 120.967 120.500 0.149 0.000 2.113 443 R HA -0.200 4.137 4.340 -0.004 0.000 0.231 443 R C 2.205 178.552 176.300 0.078 0.000 1.129 443 R CA 2.239 58.402 56.100 0.106 0.000 0.915 443 R CB -1.346 29.016 30.300 0.104 0.000 0.837 443 R HN 0.726 nan 8.270 nan 0.000 0.430 444 R N 0.067 120.614 120.500 0.078 0.000 2.117 444 R HA -0.009 4.328 4.340 -0.004 0.000 0.243 444 R C 2.445 178.790 176.300 0.075 0.000 1.143 444 R CA 1.808 57.951 56.100 0.072 0.000 0.968 444 R CB -0.530 29.816 30.300 0.076 0.000 0.863 444 R HN 0.502 nan 8.270 nan 0.000 0.444 445 L N -0.087 121.177 121.223 0.069 0.000 2.549 445 L HA -0.004 4.334 4.340 -0.004 0.000 0.229 445 L C 1.157 178.040 176.870 0.021 0.000 1.158 445 L CA 0.846 55.712 54.840 0.042 0.000 0.842 445 L CB -0.113 41.947 42.059 0.001 0.000 0.952 445 L HN 0.651 nan 8.230 nan 0.000 0.452 446 G N 1.059 109.882 108.800 0.038 0.000 2.160 446 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.251 446 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.251 446 G C 0.244 175.155 174.900 0.017 0.000 1.008 446 G CA 0.624 45.742 45.100 0.030 0.000 0.724 446 G HN 0.504 nan 8.290 nan 0.000 0.514 447 I N -3.013 117.570 120.570 0.022 0.000 2.797 447 I HA 0.842 5.010 4.170 -0.004 0.000 0.307 447 I C -0.486 175.667 176.117 0.060 0.000 1.033 447 I CA -1.000 60.310 61.300 0.018 0.000 1.071 447 I CB 2.399 40.390 38.000 -0.015 0.000 1.255 447 I HN 0.007 nan 8.210 nan 0.000 0.445 448 D N 2.081 122.512 120.400 0.052 0.000 2.945 448 D HA 0.293 4.930 4.640 -0.004 0.000 0.340 448 D C -2.855 173.482 176.300 0.062 0.000 1.240 448 D CA -1.336 52.712 54.000 0.080 0.000 0.749 448 D CB 0.411 41.230 40.800 0.031 0.000 1.217 448 D HN 0.335 nan 8.370 nan 0.000 0.514 449 P HA 0.174 nan 4.420 nan 0.000 0.269 449 P C 0.201 177.516 177.300 0.025 0.000 1.215 449 P CA -0.322 62.785 63.100 0.012 0.000 0.780 449 P CB 1.619 33.304 31.700 -0.024 0.000 0.898 450 I N 1.396 121.937 120.570 -0.049 0.000 2.392 450 I HA 0.265 4.432 4.170 -0.004 0.000 0.295 450 I C -0.066 176.027 176.117 -0.040 0.000 0.985 450 I CA -0.866 60.385 61.300 -0.082 0.000 1.221 450 I CB 1.682 39.529 38.000 -0.255 0.000 1.366 450 I HN 0.040 nan 8.210 nan 0.000 0.467 451 V N 7.299 127.213 119.914 -0.001 0.000 2.588 451 V HA 0.458 4.576 4.120 -0.004 0.000 0.304 451 V C -0.223 175.876 176.094 0.008 0.000 1.042 451 V CA -0.534 61.770 62.300 0.007 0.000 0.877 451 V CB 2.012 33.847 31.823 0.020 0.000 0.996 451 V HN 0.456 nan 8.190 nan 0.000 0.425 452 I N 5.336 125.935 120.570 0.048 0.000 2.371 452 I HA 0.400 4.567 4.170 -0.004 0.000 0.282 452 I C -0.430 175.792 176.117 0.175 0.000 1.031 452 I CA -0.296 61.052 61.300 0.081 0.000 1.180 452 I CB 1.506 39.589 38.000 0.138 0.000 1.336 452 I HN 0.463 nan 8.210 nan 0.000 0.467 453 L N 6.598 127.842 121.223 0.034 0.000 2.281 453 L HA 0.429 4.766 4.340 -0.004 0.000 0.285 453 L C -0.690 176.273 176.870 0.155 0.000 1.074 453 L CA -0.251 54.593 54.840 0.006 0.000 0.817 453 L CB 0.496 42.339 42.059 -0.361 0.000 1.168 453 L HN 0.421 nan 8.230 nan 0.000 0.434 454 F N 4.567 124.461 119.950 -0.095 0.000 2.515 454 F HA 0.167 4.691 4.527 -0.005 0.000 0.353 454 F C 0.806 176.596 175.800 -0.017 0.000 1.213 454 F CA -0.520 57.459 58.000 -0.035 0.000 1.194 454 F CB 0.080 39.075 39.000 -0.008 0.000 1.488 454 F HN 0.538 nan 8.300 nan 0.000 0.619 455 N N 3.452 122.231 118.700 0.131 0.000 2.602 455 N HA 0.001 4.739 4.740 -0.004 0.000 0.238 455 N C 0.181 175.760 175.510 0.115 0.000 1.084 455 N CA -0.111 53.027 53.050 0.148 0.000 0.952 455 N CB 0.197 38.799 38.487 0.191 0.000 1.244 455 N HN 0.501 nan 8.380 nan 0.000 0.512 456 N N 2.197 120.968 118.700 0.119 0.000 2.280 456 N HA 0.115 4.853 4.740 -0.004 0.000 0.192 456 N C 0.463 176.015 175.510 0.071 0.000 1.109 456 N CA 0.162 53.264 53.050 0.087 0.000 0.855 456 N CB 0.242 38.786 38.487 0.095 0.000 0.974 456 N HN 0.306 nan 8.380 nan 0.000 0.482 457 A N -0.526 122.344 122.820 0.084 0.000 2.791 457 A HA -0.017 4.300 4.320 -0.004 0.000 0.292 457 A C 0.416 178.001 177.584 0.001 0.000 1.487 457 A CA 0.755 52.829 52.037 0.062 0.000 0.760 457 A CB -2.226 16.811 19.000 0.062 0.000 1.031 457 A HN 1.309 nan 8.150 nan 0.000 0.503 458 S N -2.774 112.917 115.700 -0.016 0.000 2.645 458 S HA 0.544 5.011 4.470 -0.004 0.000 0.268 458 S C -0.789 173.839 174.600 0.046 0.000 1.110 458 S CA -0.368 57.796 58.200 -0.061 0.000 0.823 458 S CB 0.370 63.576 63.200 0.010 0.000 1.091 458 S HN 1.143 nan 8.310 nan 0.000 0.466 459 W N 1.978 123.320 121.300 0.069 0.000 1.603 459 W HA 0.409 5.065 4.660 -0.007 0.000 0.392 459 W C 1.257 177.789 176.519 0.022 0.000 0.661 459 W CA -0.699 56.675 57.345 0.048 0.000 2.021 459 W CB -0.292 29.216 29.460 0.079 0.000 1.759 459 W HN 1.004 nan 8.180 nan 0.000 0.334 460 E N 1.069 121.384 120.200 0.192 0.000 2.108 460 E HA -0.279 4.068 4.350 -0.004 0.000 0.203 460 E C 2.192 178.794 176.600 0.002 0.000 1.022 460 E CA 1.823 58.274 56.400 0.085 0.000 0.823 460 E CB -0.267 29.473 29.700 0.066 0.000 0.744 460 E HN 0.222 nan 8.360 nan 0.000 0.456 461 M N -0.563 119.024 119.600 -0.021 0.000 2.195 461 M HA -0.212 4.266 4.480 -0.004 0.000 0.260 461 M C 1.848 177.955 176.300 -0.322 0.000 1.066 461 M CA 1.313 56.508 55.300 -0.175 0.000 1.089 461 M CB -0.150 32.387 32.600 -0.105 0.000 1.377 461 M HN 0.212 nan 8.290 nan 0.000 0.411 462 L N -1.721 119.446 121.223 -0.094 0.000 2.202 462 L HA -0.121 4.216 4.340 -0.004 0.000 0.205 462 L C 2.491 179.390 176.870 0.048 0.000 1.083 462 L CA 0.530 55.365 54.840 -0.009 0.000 0.790 462 L CB -0.742 41.419 42.059 0.170 0.000 0.942 462 L HN 0.299 nan 8.230 nan 0.000 0.452 463 R N 0.867 121.407 120.500 0.066 0.000 2.139 463 R HA -0.184 4.154 4.340 -0.004 0.000 0.243 463 R C 1.974 178.287 176.300 0.022 0.000 1.145 463 R CA 1.971 58.104 56.100 0.055 0.000 0.976 463 R CB -0.286 30.041 30.300 0.045 0.000 0.866 463 R HN 0.441 nan 8.270 nan 0.000 0.449 464 T N -2.926 111.583 114.554 -0.075 0.000 3.227 464 T HA -0.004 4.343 4.350 -0.004 0.000 0.257 464 T C 1.175 175.956 174.700 0.135 0.000 1.162 464 T CA 0.541 62.599 62.100 -0.071 0.000 1.051 464 T CB -0.239 68.502 68.868 -0.212 0.000 0.953 464 T HN 0.341 nan 8.240 nan 0.000 0.535 465 F N -0.157 119.820 119.950 0.045 0.000 2.831 465 F HA 0.382 4.908 4.527 -0.002 0.000 0.334 465 F C 1.246 177.066 175.800 0.034 0.000 1.071 465 F CA -0.879 57.143 58.000 0.038 0.000 1.172 465 F CB 0.903 39.937 39.000 0.056 0.000 1.054 465 F HN 0.126 nan 8.300 nan 0.000 0.572 466 Q N 1.202 121.130 119.800 0.215 0.000 3.693 466 Q HA 0.108 4.446 4.340 -0.004 0.000 0.226 466 Q C -2.155 173.863 176.000 0.030 0.000 0.757 466 Q CA -0.902 54.967 55.803 0.110 0.000 0.891 466 Q CB 1.277 30.093 28.738 0.130 0.000 1.561 466 Q HN -0.001 nan 8.270 nan 0.000 0.390 467 P HA -0.233 nan 4.420 nan 0.000 0.223 467 P C 0.950 178.227 177.300 -0.038 0.000 1.144 467 P CA 1.285 64.385 63.100 -0.001 0.000 0.783 467 P CB 0.352 32.060 31.700 0.013 0.000 0.771 468 E N 0.164 120.339 120.200 -0.042 0.000 2.107 468 E HA -0.032 4.316 4.350 -0.004 0.000 0.191 468 E C 0.676 177.201 176.600 -0.126 0.000 0.982 468 E CA 0.464 56.828 56.400 -0.061 0.000 0.809 468 E CB -1.007 28.671 29.700 -0.036 0.000 0.756 468 E HN 0.083 nan 8.360 nan 0.000 0.459 469 S N 0.719 116.288 115.700 -0.217 0.000 2.568 469 S HA 0.317 4.785 4.470 -0.004 0.000 0.282 469 S C 0.735 175.059 174.600 -0.459 0.000 1.338 469 S CA 0.187 58.112 58.200 -0.458 0.000 1.045 469 S CB 1.363 64.007 63.200 -0.927 0.000 0.873 469 S HN 0.492 nan 8.310 nan 0.000 0.516 470 A N 1.928 124.508 122.820 -0.401 0.000 2.303 470 A HA 0.232 4.549 4.320 -0.004 0.000 0.217 470 A C 1.261 178.775 177.584 -0.117 0.000 1.205 470 A CA -0.119 51.797 52.037 -0.202 0.000 0.875 470 A CB -0.412 18.539 19.000 -0.083 0.000 0.910 470 A HN 0.799 nan 8.150 nan 0.000 0.501 471 F N 0.071 120.069 119.950 0.080 0.000 2.451 471 F HA 0.042 4.566 4.527 -0.006 0.000 0.299 471 F C 0.966 176.820 175.800 0.090 0.000 1.101 471 F CA 0.671 58.729 58.000 0.096 0.000 1.436 471 F CB -1.523 37.574 39.000 0.162 0.000 1.074 471 F HN 0.119 nan 8.300 nan 0.000 0.553 472 N N -0.013 118.874 118.700 0.312 0.000 2.575 472 N HA -0.072 4.665 4.740 -0.004 0.000 0.192 472 N C -0.708 174.816 175.510 0.023 0.000 1.200 472 N CA 0.399 53.650 53.050 0.335 0.000 0.897 472 N CB -0.381 38.267 38.487 0.268 0.000 0.990 472 N HN 0.192 nan 8.380 nan 0.000 0.449 473 D N 0.793 121.177 120.400 -0.027 0.000 2.347 473 D HA 0.177 4.815 4.640 -0.004 0.000 0.235 473 D C -0.035 176.184 176.300 -0.134 0.000 1.149 473 D CA -0.006 53.954 54.000 -0.067 0.000 0.850 473 D CB 0.856 41.638 40.800 -0.029 0.000 1.061 473 D HN 0.092 nan 8.370 nan 0.000 0.487 474 L N 1.640 122.767 121.223 -0.160 0.000 2.352 474 L HA 0.403 4.741 4.340 -0.004 0.000 0.269 474 L C 0.757 177.648 176.870 0.034 0.000 1.034 474 L CA -1.105 53.657 54.840 -0.129 0.000 0.806 474 L CB 1.139 43.062 42.059 -0.225 0.000 1.244 474 L HN 0.124 nan 8.230 nan 0.000 0.447 475 D N -0.135 120.356 120.400 0.153 0.000 2.433 475 D HA 0.080 4.718 4.640 -0.004 0.000 0.255 475 D C -0.697 175.733 176.300 0.217 0.000 1.226 475 D CA -0.143 53.933 54.000 0.126 0.000 1.015 475 D CB 0.692 41.512 40.800 0.033 0.000 1.091 475 D HN 0.448 nan 8.370 nan 0.000 0.527 476 D N -0.432 120.013 120.400 0.075 0.000 2.339 476 D HA 0.143 4.781 4.640 -0.004 0.000 0.241 476 D C -1.137 175.158 176.300 -0.008 0.000 1.183 476 D CA -0.395 53.645 54.000 0.066 0.000 0.859 476 D CB 0.190 40.989 40.800 -0.003 0.000 1.067 476 D HN 0.104 nan 8.370 nan 0.000 0.484 477 W N 4.031 125.163 121.300 -0.281 0.000 2.294 477 W HA 0.366 5.023 4.660 -0.005 0.000 0.314 477 W C 0.273 176.408 176.519 -0.639 0.000 1.044 477 W CA -1.011 56.005 57.345 -0.549 0.000 1.284 477 W CB 0.909 29.762 29.460 -1.011 0.000 1.231 477 W HN 0.248 nan 8.180 nan 0.000 0.419 478 R N 3.227 123.614 120.500 -0.189 0.000 4.113 478 R HA 0.113 4.450 4.340 -0.004 0.000 0.179 478 R C 0.899 177.185 176.300 -0.024 0.000 1.781 478 R CA -0.087 55.962 56.100 -0.086 0.000 1.402 478 R CB -1.120 29.158 30.300 -0.037 0.000 1.375 478 R HN 0.404 nan 8.270 nan 0.000 0.786 479 F N 0.399 120.420 119.950 0.119 0.000 2.120 479 F HA -0.297 4.227 4.527 -0.005 0.000 0.300 479 F C 2.357 178.169 175.800 0.020 0.000 1.095 479 F CA 1.669 59.685 58.000 0.027 0.000 1.249 479 F CB -0.601 38.228 39.000 -0.284 0.000 0.995 479 F HN 0.436 nan 8.300 nan 0.000 0.480 480 A N -0.005 122.924 122.820 0.181 0.000 1.908 480 A HA -0.228 4.090 4.320 -0.004 0.000 0.218 480 A C 1.845 179.502 177.584 0.122 0.000 1.181 480 A CA 2.144 54.253 52.037 0.120 0.000 0.627 480 A CB -0.966 18.078 19.000 0.073 0.000 0.818 480 A HN 0.311 nan 8.150 nan 0.000 0.445 481 D N -0.866 119.598 120.400 0.108 0.000 2.309 481 D HA -0.061 4.577 4.640 -0.004 0.000 0.212 481 D C 1.750 178.132 176.300 0.136 0.000 0.968 481 D CA 1.042 55.097 54.000 0.093 0.000 0.882 481 D CB -0.184 40.651 40.800 0.058 0.000 0.918 481 D HN 0.542 nan 8.370 nan 0.000 0.503 482 M N -0.642 119.085 119.600 0.212 0.000 2.516 482 M HA 0.199 4.677 4.480 -0.004 0.000 0.259 482 M C 2.115 178.609 176.300 0.324 0.000 1.146 482 M CA 0.133 55.608 55.300 0.291 0.000 1.122 482 M CB 0.331 33.202 32.600 0.453 0.000 1.341 482 M HN -0.057 nan 8.290 nan 0.000 0.478 483 A N 1.362 124.367 122.820 0.309 0.000 1.903 483 A HA -0.197 4.120 4.320 -0.004 0.000 0.219 483 A C 2.388 180.138 177.584 0.276 0.000 1.191 483 A CA 2.298 54.560 52.037 0.376 0.000 0.638 483 A CB -1.020 18.151 19.000 0.286 0.000 0.823 483 A HN 0.481 nan 8.150 nan 0.000 0.451 484 A N -0.534 122.379 122.820 0.155 0.000 1.859 484 A HA -0.045 4.272 4.320 -0.004 0.000 0.218 484 A C 2.518 180.180 177.584 0.130 0.000 1.209 484 A CA 2.392 54.484 52.037 0.092 0.000 0.639 484 A CB -1.722 17.320 19.000 0.070 0.000 0.835 484 A HN 1.131 nan 8.150 nan 0.000 0.450 485 G N -1.551 107.345 108.800 0.160 0.000 2.564 485 G HA2 -0.115 3.843 3.960 -0.004 0.000 0.217 485 G HA3 -0.115 3.843 3.960 -0.004 0.000 0.217 485 G C 1.186 176.206 174.900 0.199 0.000 1.120 485 G CA 1.111 46.306 45.100 0.158 0.000 0.752 485 G HN 0.524 nan 8.290 nan 0.000 0.558 486 M N 0.011 119.783 119.600 0.286 0.000 2.484 486 M HA 0.287 4.764 4.480 -0.004 0.000 0.307 486 M C 1.409 177.944 176.300 0.392 0.000 1.149 486 M CA 0.364 55.875 55.300 0.352 0.000 0.972 486 M CB 0.923 33.788 32.600 0.442 0.000 1.400 486 M HN 0.219 nan 8.290 nan 0.000 0.508 487 G N 1.011 109.936 108.800 0.208 0.000 2.176 487 G HA2 -0.172 3.785 3.960 -0.004 0.000 0.252 487 G HA3 -0.172 3.785 3.960 -0.004 0.000 0.252 487 G C 0.037 174.853 174.900 -0.139 0.000 1.024 487 G CA 0.038 45.189 45.100 0.086 0.000 0.755 487 G HN 0.635 nan 8.290 nan 0.000 0.507 488 G N -1.348 107.199 108.800 -0.421 0.000 2.733 488 G HA2 0.622 4.579 3.960 -0.004 0.000 0.288 488 G HA3 0.622 4.579 3.960 -0.004 0.000 0.288 488 G C -1.457 173.056 174.900 -0.646 0.000 1.373 488 G CA -0.530 43.737 45.100 -1.388 0.000 0.895 488 G HN 0.098 nan 8.290 nan 0.000 0.479 489 D N -0.048 120.009 120.400 -0.572 0.000 2.280 489 D HA 0.518 5.155 4.640 -0.004 0.000 0.236 489 D C -0.096 176.140 176.300 -0.106 0.000 1.082 489 D CA 0.054 53.917 54.000 -0.228 0.000 0.834 489 D CB 1.825 42.523 40.800 -0.170 0.000 1.100 489 D HN 0.576 nan 8.370 nan 0.000 0.486 490 G N 0.660 109.454 108.800 -0.010 0.000 2.702 490 G HA2 0.465 4.423 3.960 -0.004 0.000 0.295 490 G HA3 0.465 4.423 3.960 -0.004 0.000 0.295 490 G C -1.051 173.869 174.900 0.033 0.000 1.446 490 G CA -0.486 44.645 45.100 0.051 0.000 0.983 490 G HN 0.340 nan 8.290 nan 0.000 0.520 491 V N 3.113 123.039 119.914 0.019 0.000 2.628 491 V HA 0.784 4.902 4.120 -0.004 0.000 0.306 491 V C -0.153 175.948 176.094 0.013 0.000 1.045 491 V CA -1.282 61.026 62.300 0.013 0.000 0.905 491 V CB 1.784 33.607 31.823 0.001 0.000 0.997 491 V HN 0.773 nan 8.190 nan 0.000 0.436 492 R N 4.747 125.256 120.500 0.015 0.000 2.346 492 R HA 0.757 5.095 4.340 -0.004 0.000 0.311 492 R C -1.268 175.033 176.300 0.001 0.000 0.983 492 R CA -0.382 55.726 56.100 0.013 0.000 0.880 492 R CB 1.679 31.993 30.300 0.024 0.000 1.100 492 R HN 0.757 nan 8.270 nan 0.000 0.453 493 V N 1.865 121.774 119.914 -0.009 0.000 2.735 493 V HA 0.558 4.675 4.120 -0.004 0.000 0.310 493 V C 0.201 176.284 176.094 -0.020 0.000 1.061 493 V CA -0.870 61.421 62.300 -0.015 0.000 0.913 493 V CB 2.120 33.929 31.823 -0.023 0.000 1.005 493 V HN 0.918 nan 8.190 nan 0.000 0.428 494 R N 1.248 121.739 120.500 -0.016 0.000 2.225 494 R HA 0.230 4.567 4.340 -0.004 0.000 0.194 494 R C 1.034 177.323 176.300 -0.019 0.000 0.949 494 R CA 0.840 56.931 56.100 -0.016 0.000 1.088 494 R CB 0.501 30.796 30.300 -0.008 0.000 1.106 494 R HN 0.924 nan 8.270 nan 0.000 0.566 495 T N -1.550 112.994 114.554 -0.016 0.000 2.897 495 T HA 0.256 4.604 4.350 -0.004 0.000 0.278 495 T C 0.981 175.669 174.700 -0.020 0.000 0.981 495 T CA -0.777 61.313 62.100 -0.016 0.000 0.973 495 T CB 1.736 70.597 68.868 -0.010 0.000 1.092 495 T HN 0.003 nan 8.240 nan 0.000 0.543 496 R N 0.113 120.603 120.500 -0.017 0.000 2.153 496 R HA 0.137 4.474 4.340 -0.004 0.000 0.218 496 R C 2.611 178.904 176.300 -0.012 0.000 1.072 496 R CA 0.825 56.914 56.100 -0.018 0.000 0.990 496 R CB -0.718 29.574 30.300 -0.014 0.000 0.889 496 R HN 0.757 nan 8.270 nan 0.000 0.452 497 A N 2.183 124.998 122.820 -0.009 0.000 1.855 497 A HA -0.185 4.133 4.320 -0.004 0.000 0.215 497 A C 1.941 179.522 177.584 -0.005 0.000 1.191 497 A CA 1.264 53.298 52.037 -0.005 0.000 0.613 497 A CB -0.319 18.678 19.000 -0.004 0.000 0.829 497 A HN 0.293 nan 8.150 nan 0.000 0.442 498 E N -0.473 119.723 120.200 -0.007 0.000 2.118 498 E HA -0.205 4.143 4.350 -0.004 0.000 0.195 498 E C 1.932 178.527 176.600 -0.008 0.000 0.992 498 E CA 1.196 57.592 56.400 -0.007 0.000 0.804 498 E CB -0.365 29.329 29.700 -0.009 0.000 0.741 498 E HN 0.508 nan 8.360 nan 0.000 0.458 499 L N 2.009 123.223 121.223 -0.015 0.000 1.994 499 L HA -0.188 4.149 4.340 -0.004 0.000 0.208 499 L C 2.196 179.065 176.870 -0.003 0.000 1.071 499 L CA 1.940 56.768 54.840 -0.020 0.000 0.745 499 L CB -0.468 41.570 42.059 -0.035 0.000 0.892 499 L HN -0.110 nan 8.230 nan 0.000 0.431 500 K N -0.065 120.336 120.400 0.002 0.000 2.026 500 K HA -0.141 4.176 4.320 -0.004 0.000 0.208 500 K C 1.968 178.582 176.600 0.022 0.000 1.048 500 K CA 1.599 57.894 56.287 0.013 0.000 0.929 500 K CB -0.434 32.070 32.500 0.007 0.000 0.713 500 K HN 0.491 nan 8.250 nan 0.000 0.439 501 A N 1.006 123.835 122.820 0.014 0.000 1.877 501 A HA -0.089 4.228 4.320 -0.004 0.000 0.216 501 A C 2.408 180.007 177.584 0.024 0.000 1.186 501 A CA 2.255 54.303 52.037 0.017 0.000 0.620 501 A CB -0.800 18.205 19.000 0.009 0.000 0.822 501 A HN 0.446 nan 8.150 nan 0.000 0.443 502 A N -0.546 122.284 122.820 0.016 0.000 1.877 502 A HA -0.060 4.257 4.320 -0.004 0.000 0.216 502 A C 2.139 179.740 177.584 0.028 0.000 1.186 502 A CA 1.778 53.823 52.037 0.013 0.000 0.620 502 A CB -0.693 18.307 19.000 0.000 0.000 0.822 502 A HN 0.724 nan 8.150 nan 0.000 0.443 503 L N 0.221 121.471 121.223 0.045 0.000 2.079 503 L HA -0.194 4.144 4.340 -0.004 0.000 0.210 503 L C 1.646 178.627 176.870 0.185 0.000 1.081 503 L CA 2.477 57.373 54.840 0.093 0.000 0.752 503 L CB -0.655 41.475 42.059 0.118 0.000 0.896 503 L HN 0.372 nan 8.230 nan 0.000 0.433 504 D N 0.079 120.564 120.400 0.142 0.000 2.097 504 D HA -0.194 4.443 4.640 -0.004 0.000 0.195 504 D C 2.303 178.686 176.300 0.138 0.000 0.989 504 D CA 1.953 56.044 54.000 0.150 0.000 0.827 504 D CB -0.102 40.741 40.800 0.072 0.000 0.966 504 D HN 0.496 nan 8.370 nan 0.000 0.456 505 K N 1.435 121.881 120.400 0.077 0.000 2.032 505 K HA -0.023 4.295 4.320 -0.004 0.000 0.209 505 K C 2.247 178.871 176.600 0.040 0.000 1.048 505 K CA 1.744 58.060 56.287 0.047 0.000 0.927 505 K CB -1.178 31.333 32.500 0.019 0.000 0.712 505 K HN 0.213 nan 8.250 nan 0.000 0.441 506 A N 0.471 123.298 122.820 0.011 0.000 1.859 506 A HA -0.072 4.245 4.320 -0.004 0.000 0.218 506 A C 2.209 179.751 177.584 -0.069 0.000 1.209 506 A CA 1.987 53.980 52.037 -0.075 0.000 0.639 506 A CB -0.878 18.020 19.000 -0.171 0.000 0.835 506 A HN 0.550 nan 8.150 nan 0.000 0.450 507 F N 0.031 119.982 119.950 0.002 0.000 2.192 507 F HA -0.186 4.339 4.527 -0.005 0.000 0.301 507 F C 2.666 178.465 175.800 -0.001 0.000 1.079 507 F CA 1.232 59.232 58.000 0.001 0.000 1.303 507 F CB -0.363 38.637 39.000 -0.001 0.000 1.024 507 F HN 0.273 nan 8.300 nan 0.000 0.494 508 A N -1.605 121.316 122.820 0.167 0.000 2.123 508 A HA 0.049 4.366 4.320 -0.004 0.000 0.214 508 A C 1.077 178.691 177.584 0.049 0.000 1.152 508 A CA 0.789 52.882 52.037 0.093 0.000 0.728 508 A CB -0.568 18.472 19.000 0.067 0.000 0.814 508 A HN 0.143 nan 8.150 nan 0.000 0.464 509 T N 1.576 116.146 114.554 0.027 0.000 2.781 509 T HA 0.462 4.809 4.350 -0.004 0.000 0.305 509 T C -0.069 174.621 174.700 -0.016 0.000 1.001 509 T CA -0.292 61.805 62.100 -0.005 0.000 0.950 509 T CB 0.571 69.421 68.868 -0.030 0.000 0.955 509 T HN 0.326 nan 8.240 nan 0.000 0.471 510 R N 1.075 121.572 120.500 -0.006 0.000 2.873 510 R HA 0.709 5.047 4.340 -0.004 0.000 0.264 510 R C 0.989 177.281 176.300 -0.014 0.000 1.026 510 R CA -0.354 55.742 56.100 -0.006 0.000 1.002 510 R CB 1.807 32.115 30.300 0.014 0.000 1.174 510 R HN 0.807 nan 8.270 nan 0.000 0.488 511 G N 0.900 109.693 108.800 -0.012 0.000 2.391 511 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.204 511 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.204 511 G C -0.070 174.815 174.900 -0.025 0.000 1.012 511 G CA -0.486 44.607 45.100 -0.013 0.000 0.651 511 G HN 0.465 nan 8.290 nan 0.000 0.494 512 R N -0.042 120.421 120.500 -0.061 0.000 2.795 512 R HA 0.597 4.935 4.340 -0.004 0.000 0.275 512 R C -0.039 176.184 176.300 -0.129 0.000 0.981 512 R CA -0.734 55.286 56.100 -0.133 0.000 0.917 512 R CB 1.374 31.529 30.300 -0.242 0.000 1.202 512 R HN 0.394 nan 8.270 nan 0.000 0.469 513 F N 0.174 120.118 119.950 -0.010 0.000 2.506 513 F HA 0.221 4.745 4.527 -0.004 0.000 0.351 513 F C -0.227 175.557 175.800 -0.027 0.000 1.136 513 F CA -0.533 57.453 58.000 -0.024 0.000 1.298 513 F CB 0.528 39.522 39.000 -0.010 0.000 1.145 513 F HN 0.076 nan 8.300 nan 0.000 0.593 514 Q N 4.084 123.968 119.800 0.141 0.000 2.333 514 Q HA 0.462 4.800 4.340 -0.004 0.000 0.265 514 Q C -1.339 174.755 176.000 0.157 0.000 0.989 514 Q CA -0.821 55.005 55.803 0.038 0.000 0.842 514 Q CB 2.241 30.942 28.738 -0.061 0.000 1.262 514 Q HN 0.857 nan 8.270 nan 0.000 0.451 515 L N 3.885 125.207 121.223 0.164 0.000 2.313 515 L HA 0.536 4.874 4.340 -0.004 0.000 0.283 515 L C -1.081 175.809 176.870 0.033 0.000 1.013 515 L CA -0.203 54.717 54.840 0.132 0.000 0.816 515 L CB 1.004 43.190 42.059 0.212 0.000 1.236 515 L HN 0.581 nan 8.230 nan 0.000 0.419 516 I N 4.906 125.472 120.570 -0.007 0.000 2.405 516 I HA 0.271 4.439 4.170 -0.004 0.000 0.280 516 I C -0.192 175.899 176.117 -0.045 0.000 1.027 516 I CA -0.395 60.891 61.300 -0.024 0.000 1.161 516 I CB 1.402 39.384 38.000 -0.030 0.000 1.300 516 I HN 0.640 nan 8.210 nan 0.000 0.463 517 E N 6.511 126.693 120.200 -0.030 0.000 1.941 517 E HA 0.445 4.793 4.350 -0.004 0.000 0.275 517 E C -0.453 176.134 176.600 -0.022 0.000 1.113 517 E CA -0.487 55.901 56.400 -0.020 0.000 0.878 517 E CB 0.777 30.505 29.700 0.046 0.000 1.070 517 E HN 0.676 nan 8.360 nan 0.000 0.399 518 A N 6.523 129.306 122.820 -0.063 0.000 2.276 518 A HA 0.368 4.686 4.320 -0.004 0.000 0.300 518 A C -0.108 177.439 177.584 -0.062 0.000 1.235 518 A CA -0.726 51.254 52.037 -0.095 0.000 0.867 518 A CB 0.449 19.323 19.000 -0.209 0.000 1.137 518 A HN 0.653 nan 8.150 nan 0.000 0.527 519 M N 3.514 123.096 119.600 -0.030 0.000 2.146 519 M HA 0.366 4.844 4.480 -0.004 0.000 0.352 519 M C -0.476 175.812 176.300 -0.019 0.000 1.343 519 M CA 0.334 55.633 55.300 -0.002 0.000 1.115 519 M CB -0.261 32.344 32.600 0.009 0.000 1.657 519 M HN 0.473 nan 8.290 nan 0.000 0.471 520 I N 4.918 125.488 120.570 -0.001 0.000 2.509 520 I HA 0.420 4.587 4.170 -0.004 0.000 0.293 520 I C -2.221 173.908 176.117 0.021 0.000 1.020 520 I CA -2.128 59.170 61.300 -0.002 0.000 1.088 520 I CB 2.323 40.324 38.000 0.003 0.000 1.267 520 I HN 0.357 nan 8.210 nan 0.000 0.430 521 P HA 0.188 nan 4.420 nan 0.000 0.271 521 P C -0.947 176.368 177.300 0.026 0.000 1.218 521 P CA -0.405 62.705 63.100 0.018 0.000 0.780 521 P CB 0.447 32.154 31.700 0.011 0.000 0.901 522 R N 1.829 122.343 120.500 0.023 0.000 2.316 522 R HA 0.421 4.759 4.340 -0.004 0.000 0.314 522 R C 1.143 177.454 176.300 0.018 0.000 1.069 522 R CA 0.658 56.773 56.100 0.025 0.000 0.959 522 R CB -0.272 30.039 30.300 0.019 0.000 0.987 522 R HN 0.883 nan 8.270 nan 0.000 0.446 523 G N 1.509 110.320 108.800 0.018 0.000 2.229 523 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.189 523 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.189 523 G C -0.128 174.780 174.900 0.013 0.000 1.000 523 G CA -0.480 44.627 45.100 0.012 0.000 0.663 523 G HN 0.417 nan 8.290 nan 0.000 0.493 524 V N 2.646 122.572 119.914 0.021 0.000 2.383 524 V HA 0.732 4.849 4.120 -0.004 0.000 0.275 524 V C 0.556 176.671 176.094 0.034 0.000 1.036 524 V CA -0.358 61.957 62.300 0.024 0.000 0.889 524 V CB 1.232 33.070 31.823 0.025 0.000 0.985 524 V HN 0.349 nan 8.190 nan 0.000 0.459 525 L N 3.340 124.579 121.223 0.027 0.000 2.301 525 L HA 0.667 5.004 4.340 -0.004 0.000 0.264 525 L C 0.543 177.440 176.870 0.046 0.000 1.016 525 L CA -0.746 54.108 54.840 0.025 0.000 0.821 525 L CB 2.311 44.355 42.059 -0.024 0.000 1.346 525 L HN 0.680 nan 8.230 nan 0.000 0.429 526 S N -1.504 114.233 115.700 0.063 0.000 2.584 526 S HA 0.076 4.543 4.470 -0.004 0.000 0.270 526 S C 0.270 174.911 174.600 0.070 0.000 1.346 526 S CA -0.552 57.710 58.200 0.103 0.000 1.018 526 S CB 1.194 64.495 63.200 0.168 0.000 0.899 526 S HN 0.602 nan 8.310 nan 0.000 0.542 527 D N 1.796 122.252 120.400 0.093 0.000 2.087 527 D HA -0.065 4.572 4.640 -0.004 0.000 0.192 527 D C 2.077 178.432 176.300 0.091 0.000 0.993 527 D CA 2.011 56.061 54.000 0.083 0.000 0.828 527 D CB -1.071 39.787 40.800 0.096 0.000 0.968 527 D HN 0.733 nan 8.370 nan 0.000 0.448 528 T N 1.257 115.894 114.554 0.138 0.000 2.597 528 T HA -0.219 4.128 4.350 -0.004 0.000 0.267 528 T C 1.873 176.638 174.700 0.108 0.000 1.053 528 T CA 1.233 63.442 62.100 0.182 0.000 1.165 528 T CB -0.613 68.438 68.868 0.305 0.000 0.863 528 T HN 0.044 nan 8.240 nan 0.000 0.427 529 L N 1.412 122.588 121.223 -0.077 0.000 2.079 529 L HA -0.002 4.335 4.340 -0.004 0.000 0.210 529 L C 2.558 179.352 176.870 -0.126 0.000 1.081 529 L CA 1.854 56.428 54.840 -0.443 0.000 0.752 529 L CB -1.265 40.363 42.059 -0.718 0.000 0.896 529 L HN 0.266 nan 8.230 nan 0.000 0.433 530 A N -0.116 122.680 122.820 -0.040 0.000 1.851 530 A HA -0.267 4.050 4.320 -0.004 0.000 0.216 530 A C 2.381 179.985 177.584 0.033 0.000 1.195 530 A CA 2.096 54.133 52.037 0.000 0.000 0.622 530 A CB -0.654 18.356 19.000 0.017 0.000 0.831 530 A HN 0.512 nan 8.150 nan 0.000 0.444 531 R N -1.996 118.540 120.500 0.060 0.000 2.119 531 R HA -0.206 4.132 4.340 -0.004 0.000 0.246 531 R C 2.018 178.373 176.300 0.092 0.000 1.146 531 R CA 1.742 57.886 56.100 0.073 0.000 0.962 531 R CB -0.681 29.677 30.300 0.096 0.000 0.863 531 R HN 0.598 nan 8.270 nan 0.000 0.442 532 F N 1.400 121.333 119.950 -0.028 0.000 2.046 532 F HA -0.248 4.278 4.527 -0.002 0.000 0.297 532 F C 2.211 178.010 175.800 -0.002 0.000 1.123 532 F CA 1.578 59.564 58.000 -0.022 0.000 1.199 532 F CB -0.441 38.507 39.000 -0.087 0.000 0.972 532 F HN -0.279 nan 8.300 nan 0.000 0.474 533 V N 0.194 120.136 119.914 0.048 0.000 2.287 533 V HA -0.350 3.768 4.120 -0.004 0.000 0.248 533 V C 2.324 178.382 176.094 -0.061 0.000 1.053 533 V CA 2.192 64.499 62.300 0.012 0.000 1.027 533 V CB -1.093 30.773 31.823 0.071 0.000 0.646 533 V HN 0.381 nan 8.190 nan 0.000 0.447 534 Q N 1.023 120.801 119.800 -0.036 0.000 2.234 534 Q HA -0.128 4.210 4.340 -0.004 0.000 0.206 534 Q C 2.057 178.015 176.000 -0.071 0.000 0.980 534 Q CA 1.914 57.695 55.803 -0.037 0.000 0.869 534 Q CB -0.763 27.967 28.738 -0.013 0.000 0.912 534 Q HN 0.633 nan 8.270 nan 0.000 0.436 535 G N -0.918 107.813 108.800 -0.115 0.000 2.650 535 G HA2 -0.148 3.809 3.960 -0.004 0.000 0.214 535 G HA3 -0.148 3.809 3.960 -0.004 0.000 0.214 535 G C 1.108 175.895 174.900 -0.188 0.000 1.136 535 G CA 0.156 45.175 45.100 -0.136 0.000 0.789 535 G HN 0.245 nan 8.290 nan 0.000 0.536 536 Q N 0.072 119.731 119.800 -0.235 0.000 2.376 536 Q HA 0.134 4.471 4.340 -0.004 0.000 0.206 536 Q C 2.163 178.075 176.000 -0.148 0.000 0.921 536 Q CA 0.244 55.904 55.803 -0.239 0.000 0.911 536 Q CB 0.002 28.553 28.738 -0.312 0.000 1.032 536 Q HN 0.317 nan 8.270 nan 0.000 0.510 537 K N 1.683 122.021 120.400 -0.104 0.000 2.031 537 K HA -0.047 4.270 4.320 -0.004 0.000 0.205 537 K C 1.266 177.829 176.600 -0.062 0.000 1.049 537 K CA 0.933 57.180 56.287 -0.067 0.000 0.939 537 K CB -0.214 32.261 32.500 -0.042 0.000 0.717 537 K HN 0.132 nan 8.250 nan 0.000 0.438 538 R N 0.000 120.463 120.500 -0.062 0.000 2.786 538 R HA 0.000 4.337 4.340 -0.004 0.000 0.208 538 R CA 0.000 56.070 56.100 -0.050 0.000 0.921 538 R CB 0.000 30.272 30.300 -0.046 0.000 0.687 538 R HN 0.000 nan 8.270 nan 0.000 0.535