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 2yvk_1_D DATA FIRST_RESID 1 DATA SEQUENCE MTHSFAVPRS VEWKETAITI LNQQKLPDET EYLELTTKED VFDAIVTLKV DATA SEQUENCE RGAPAIGITA AFGLALAAKD IETDNVTEFR RRLEDIKQYL NSSRPTAINL DATA SEQUENCE SWALERLSHS VENAISVNEA KTNLVHEAIQ IQVEDEETCR LIGQNALQLF DATA SEQUENCE KKGDRIMTIC NAGSIATSRY GTALAPFYLA KQKDLGLHIY ACETRPVLQG DATA SEQUENCE SRLTAWELMQ GGIDVTLITD SMAAHTMKEK QISAVIVGAD RIAKNGDTAN DATA SEQUENCE KIGTYGLAIL ANAFDIPFFV AAPLSTFDTK VKCGADIPIE ERDPEEVRQI DATA SEQUENCE SGVRTAPSNV PVFNPAFDIT PHDLISGIIT EKGIMTGNYE EEIEQLFKG 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 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.065 0.000 0.988 1 M CB 0.000 32.554 32.600 -0.076 0.000 1.302 2 T N 0.857 115.362 114.554 -0.081 0.000 3.194 2 T HA 0.136 4.486 4.350 0.001 0.000 0.251 2 T C 0.211 175.149 174.700 0.397 0.000 1.132 2 T CA 1.008 63.145 62.100 0.060 0.000 1.028 2 T CB -0.469 68.389 68.868 -0.017 0.000 0.976 2 T HN 0.494 nan 8.240 nan 0.000 0.535 3 H N -0.937 118.189 119.070 0.094 0.000 3.058 3 H HA 0.287 4.844 4.556 0.001 0.000 0.266 3 H C 2.173 177.422 175.328 -0.131 0.000 1.135 3 H CA -0.137 55.928 56.048 0.029 0.000 1.174 3 H CB -0.034 29.711 29.762 -0.027 0.000 1.581 3 H HN 0.323 nan 8.280 nan 0.000 0.553 4 S N 0.722 116.462 115.700 0.068 0.000 2.419 4 S HA -0.192 4.278 4.470 0.001 0.000 0.233 4 S C 2.010 176.546 174.600 -0.107 0.000 1.016 4 S CA 1.131 59.318 58.200 -0.021 0.000 0.974 4 S CB -0.908 62.300 63.200 0.012 0.000 0.786 4 S HN 0.437 nan 8.310 nan 0.000 0.492 5 F N 2.584 122.383 119.950 -0.252 0.000 2.216 5 F HA 0.337 4.864 4.527 0.001 0.000 0.300 5 F C 2.095 177.640 175.800 -0.426 0.000 1.085 5 F CA 0.323 58.080 58.000 -0.405 0.000 1.326 5 F CB -0.934 37.452 39.000 -1.024 0.000 1.027 5 F HN 0.257 nan 8.300 nan 0.000 0.497 6 A N 0.906 122.749 122.820 -1.628 0.000 2.259 6 A HA 0.404 4.725 4.320 0.001 0.000 0.208 6 A C 0.645 177.730 177.584 -0.832 0.000 1.201 6 A CA 0.536 51.708 52.037 -1.441 0.000 0.824 6 A CB -1.421 16.840 19.000 -1.232 0.000 0.838 6 A HN 0.352 nan 8.150 nan 0.000 0.485 7 V N -3.986 115.605 119.914 -0.539 0.000 3.046 7 V HA 0.689 4.809 4.120 0.001 0.000 0.316 7 V C -3.091 172.866 176.094 -0.228 0.000 1.104 7 V CA -2.851 59.262 62.300 -0.311 0.000 1.006 7 V CB 2.042 33.757 31.823 -0.181 0.000 1.058 7 V HN 0.096 nan 8.190 nan 0.000 0.440 8 P HA 0.525 nan 4.420 nan 0.000 0.287 8 P C -0.728 176.585 177.300 0.022 0.000 1.281 8 P CA -0.320 62.751 63.100 -0.049 0.000 0.781 8 P CB 1.770 33.461 31.700 -0.016 0.000 0.903 9 R N 1.341 121.902 120.500 0.102 0.000 2.470 9 R HA 0.034 4.374 4.340 0.001 0.000 0.210 9 R C 2.322 178.795 176.300 0.288 0.000 0.873 9 R CA 0.660 56.909 56.100 0.248 0.000 1.015 9 R CB -0.229 30.265 30.300 0.324 0.000 1.348 9 R HN 0.522 nan 8.270 nan 0.000 0.650 10 S N 0.397 116.212 115.700 0.192 0.000 2.348 10 S HA -0.045 4.425 4.470 0.001 0.000 0.221 10 S C 0.975 175.682 174.600 0.179 0.000 1.033 10 S CA 0.860 59.161 58.200 0.169 0.000 1.010 10 S CB -0.081 63.204 63.200 0.141 0.000 0.891 10 S HN 0.071 nan 8.310 nan 0.000 0.442 11 V N 0.267 120.290 119.914 0.182 0.000 3.012 11 V HA 0.732 4.853 4.120 0.001 0.000 0.307 11 V C -1.917 174.284 176.094 0.179 0.000 1.166 11 V CA -0.744 61.676 62.300 0.201 0.000 0.974 11 V CB 2.184 34.166 31.823 0.264 0.000 1.040 11 V HN 0.626 nan 8.190 nan 0.000 0.428 12 E N 5.012 125.285 120.200 0.121 0.000 2.343 12 E HA 0.352 4.703 4.350 0.001 0.000 0.278 12 E C -1.933 174.637 176.600 -0.050 0.000 0.910 12 E CA -0.659 55.766 56.400 0.042 0.000 0.757 12 E CB 1.642 31.345 29.700 0.005 0.000 1.218 12 E HN 0.783 nan 8.360 nan 0.000 0.435 13 W N 4.948 125.992 121.300 -0.426 0.000 2.449 13 W HA 0.497 5.157 4.660 0.001 0.000 0.331 13 W C -1.263 175.083 176.519 -0.288 0.000 1.119 13 W CA -0.451 56.555 57.345 -0.565 0.000 1.240 13 W CB 1.333 30.107 29.460 -1.143 0.000 1.251 13 W HN 0.411 nan 8.180 nan 0.000 0.576 14 K N 2.680 122.472 120.400 -1.013 0.000 2.433 14 K HA 0.153 4.474 4.320 0.001 0.000 0.252 14 K C 0.369 176.223 176.600 -1.243 0.000 1.015 14 K CA -0.807 55.019 56.287 -0.768 0.000 0.860 14 K CB 1.481 33.694 32.500 -0.477 0.000 1.359 14 K HN 0.355 nan 8.250 nan 0.000 0.452 15 E N 0.503 120.376 120.200 -0.544 0.000 2.153 15 E HA -0.119 4.232 4.350 0.001 0.000 0.194 15 E C 1.074 177.419 176.600 -0.425 0.000 0.988 15 E CA 1.618 57.831 56.400 -0.312 0.000 0.811 15 E CB 0.228 29.879 29.700 -0.081 0.000 0.746 15 E HN 0.622 nan 8.360 nan 0.000 0.466 16 T N -1.937 112.359 114.554 -0.430 0.000 3.170 16 T HA 0.667 5.018 4.350 0.001 0.000 0.288 16 T C -0.524 173.975 174.700 -0.335 0.000 0.992 16 T CA 0.243 62.154 62.100 -0.314 0.000 0.909 16 T CB 0.045 68.815 68.868 -0.164 0.000 1.133 16 T HN 0.116 nan 8.240 nan 0.000 0.530 17 A N 0.735 123.255 122.820 -0.500 0.000 2.612 17 A HA 0.744 5.065 4.320 0.001 0.000 0.293 17 A C -1.720 175.616 177.584 -0.414 0.000 1.075 17 A CA -0.737 51.090 52.037 -0.348 0.000 0.680 17 A CB 1.103 19.976 19.000 -0.212 0.000 1.279 17 A HN 0.399 nan 8.150 nan 0.000 0.411 18 I N 1.658 122.116 120.570 -0.187 0.000 2.411 18 I HA 0.362 4.532 4.170 0.001 0.000 0.284 18 I C -0.313 175.801 176.117 -0.004 0.000 1.012 18 I CA -0.244 61.016 61.300 -0.066 0.000 1.119 18 I CB 2.119 40.188 38.000 0.115 0.000 1.261 18 I HN 0.570 nan 8.210 nan 0.000 0.448 19 T N 7.319 121.869 114.554 -0.006 0.000 2.795 19 T HA 0.667 5.018 4.350 0.001 0.000 0.282 19 T C -0.104 174.666 174.700 0.116 0.000 0.980 19 T CA -0.301 61.826 62.100 0.045 0.000 1.012 19 T CB 1.094 69.968 68.868 0.009 0.000 0.936 19 T HN 0.496 nan 8.240 nan 0.000 0.457 20 I N 0.386 121.048 120.570 0.154 0.000 3.002 20 I HA 0.665 4.835 4.170 0.001 0.000 0.310 20 I C -0.957 175.286 176.117 0.210 0.000 1.087 20 I CA -1.503 59.904 61.300 0.178 0.000 1.017 20 I CB 1.752 39.825 38.000 0.121 0.000 1.226 20 I HN 0.447 nan 8.210 nan 0.000 0.443 21 L N 2.894 124.199 121.223 0.136 0.000 2.305 21 L HA 0.354 4.695 4.340 0.001 0.000 0.281 21 L C -0.165 176.626 176.870 -0.132 0.000 1.085 21 L CA -0.309 54.457 54.840 -0.123 0.000 0.813 21 L CB 0.823 42.816 42.059 -0.110 0.000 1.157 21 L HN 0.715 nan 8.230 nan 0.000 0.436 22 N N 4.172 122.749 118.700 -0.205 0.000 2.605 22 N HA 0.049 4.789 4.740 0.001 0.000 0.258 22 N C 0.571 175.972 175.510 -0.182 0.000 1.156 22 N CA 0.133 53.098 53.050 -0.143 0.000 1.008 22 N CB 0.694 39.106 38.487 -0.124 0.000 1.354 22 N HN 0.649 nan 8.380 nan 0.000 0.509 23 Q N 1.197 120.909 119.800 -0.148 0.000 2.541 23 Q HA -0.097 4.243 4.340 0.001 0.000 0.215 23 Q C 0.981 176.887 176.000 -0.156 0.000 0.977 23 Q CA 0.788 56.488 55.803 -0.171 0.000 0.934 23 Q CB 0.262 28.934 28.738 -0.110 0.000 0.988 23 Q HN 0.688 nan 8.270 nan 0.000 0.521 24 Q N 0.557 120.282 119.800 -0.124 0.000 2.137 24 Q HA -0.068 4.272 4.340 0.001 0.000 0.198 24 Q C 1.430 177.357 176.000 -0.121 0.000 0.960 24 Q CA 0.834 56.575 55.803 -0.103 0.000 0.847 24 Q CB 0.187 28.880 28.738 -0.074 0.000 0.915 24 Q HN 0.240 nan 8.270 nan 0.000 0.448 25 K N -0.049 120.265 120.400 -0.143 0.000 2.459 25 K HA 0.023 4.344 4.320 0.001 0.000 0.193 25 K C 0.046 176.526 176.600 -0.201 0.000 1.030 25 K CA -0.067 56.132 56.287 -0.146 0.000 1.026 25 K CB 0.228 32.650 32.500 -0.130 0.000 0.809 25 K HN 0.019 nan 8.250 nan 0.000 0.504 26 L N 1.817 122.870 121.223 -0.284 0.000 2.452 26 L HA 0.052 4.393 4.340 0.001 0.000 0.267 26 L C -1.426 175.276 176.870 -0.280 0.000 1.188 26 L CA -1.454 53.131 54.840 -0.425 0.000 0.821 26 L CB 0.531 42.207 42.059 -0.638 0.000 1.102 26 L HN -0.042 nan 8.230 nan 0.000 0.470 27 P HA 0.034 nan 4.420 nan 0.000 0.257 27 P C 0.197 177.398 177.300 -0.165 0.000 1.241 27 P CA 0.264 63.154 63.100 -0.350 0.000 0.816 27 P CB 0.599 32.235 31.700 -0.107 0.000 1.150 28 D N 0.804 121.142 120.400 -0.104 0.000 2.084 28 D HA -0.058 4.583 4.640 0.001 0.000 0.196 28 D C 0.840 177.114 176.300 -0.043 0.000 0.985 28 D CA 1.263 55.238 54.000 -0.042 0.000 0.826 28 D CB -0.017 40.762 40.800 -0.036 0.000 0.978 28 D HN 0.376 nan 8.370 nan 0.000 0.456 29 E N -0.702 119.443 120.200 -0.091 0.000 2.232 29 E HA 0.496 4.846 4.350 0.001 0.000 0.264 29 E C -0.650 175.867 176.600 -0.138 0.000 0.973 29 E CA -0.420 55.932 56.400 -0.079 0.000 0.849 29 E CB 1.769 31.424 29.700 -0.075 0.000 1.198 29 E HN -0.220 nan 8.360 nan 0.000 0.407 30 T N 1.400 115.894 114.554 -0.101 0.000 3.133 30 T HA 0.152 4.503 4.350 0.001 0.000 0.368 30 T C -0.963 173.630 174.700 -0.178 0.000 1.190 30 T CA -0.498 61.503 62.100 -0.166 0.000 1.282 30 T CB 0.327 69.189 68.868 -0.010 0.000 1.042 30 T HN 0.405 nan 8.240 nan 0.000 0.536 31 E N 2.828 122.879 120.200 -0.248 0.000 2.151 31 E HA 0.397 4.748 4.350 0.001 0.000 0.275 31 E C -1.236 175.203 176.600 -0.268 0.000 0.936 31 E CA -0.681 55.621 56.400 -0.163 0.000 0.777 31 E CB 0.943 30.585 29.700 -0.097 0.000 1.108 31 E HN 0.426 nan 8.360 nan 0.000 0.401 32 Y N 3.201 123.500 120.300 -0.001 0.000 2.342 32 Y HA 0.358 4.909 4.550 0.001 0.000 0.334 32 Y C -0.185 175.714 175.900 -0.001 0.000 1.067 32 Y CA -0.614 57.488 58.100 0.003 0.000 1.128 32 Y CB 1.208 39.673 38.460 0.009 0.000 1.200 32 Y HN 0.486 nan 8.280 nan 0.000 0.464 33 L N 2.787 124.097 121.223 0.145 0.000 2.334 33 L HA 0.474 4.814 4.340 0.001 0.000 0.273 33 L C -0.778 176.138 176.870 0.076 0.000 1.013 33 L CA -0.821 54.069 54.840 0.083 0.000 0.816 33 L CB 1.756 43.843 42.059 0.047 0.000 1.278 33 L HN 0.530 nan 8.230 nan 0.000 0.431 34 E N 2.704 122.930 120.200 0.045 0.000 2.133 34 E HA 0.557 4.908 4.350 0.001 0.000 0.274 34 E C -1.324 175.289 176.600 0.021 0.000 0.930 34 E CA -0.054 56.357 56.400 0.019 0.000 0.770 34 E CB 1.071 30.768 29.700 -0.005 0.000 1.104 34 E HN 0.343 nan 8.360 nan 0.000 0.403 35 L N 2.708 123.946 121.223 0.026 0.000 2.307 35 L HA 0.460 4.800 4.340 0.001 0.000 0.284 35 L C 1.060 177.945 176.870 0.026 0.000 1.023 35 L CA -0.359 54.508 54.840 0.045 0.000 0.810 35 L CB 1.631 43.738 42.059 0.080 0.000 1.231 35 L HN 0.687 nan 8.230 nan 0.000 0.423 36 T N -3.540 111.033 114.554 0.031 0.000 2.954 36 T HA 0.111 4.461 4.350 0.001 0.000 0.252 36 T C 0.646 175.373 174.700 0.046 0.000 0.983 36 T CA 0.342 62.451 62.100 0.015 0.000 0.941 36 T CB 0.375 69.239 68.868 -0.007 0.000 1.141 36 T HN 0.605 nan 8.240 nan 0.000 0.500 37 T N -0.064 114.533 114.554 0.071 0.000 2.940 37 T HA 0.477 4.828 4.350 0.001 0.000 0.288 37 T C 0.943 175.727 174.700 0.140 0.000 1.045 37 T CA -0.858 61.295 62.100 0.087 0.000 1.018 37 T CB 2.260 71.168 68.868 0.067 0.000 1.151 37 T HN 0.175 nan 8.240 nan 0.000 0.529 38 K N 0.204 120.701 120.400 0.162 0.000 2.439 38 K HA -0.049 4.272 4.320 0.001 0.000 0.197 38 K C 1.011 177.840 176.600 0.382 0.000 1.041 38 K CA 1.133 57.577 56.287 0.262 0.000 0.970 38 K CB -0.095 32.567 32.500 0.271 0.000 0.773 38 K HN 0.613 nan 8.250 nan 0.000 0.479 39 E N 1.599 121.962 120.200 0.271 0.000 2.076 39 E HA -0.104 4.247 4.350 0.001 0.000 0.190 39 E C 1.510 178.279 176.600 0.281 0.000 0.979 39 E CA 1.195 57.780 56.400 0.308 0.000 0.807 39 E CB -0.031 29.760 29.700 0.151 0.000 0.761 39 E HN 0.316 nan 8.360 nan 0.000 0.454 40 D N -0.162 120.352 120.400 0.190 0.000 2.144 40 D HA -0.120 4.521 4.640 0.001 0.000 0.199 40 D C 1.870 178.264 176.300 0.157 0.000 0.984 40 D CA 0.840 54.928 54.000 0.147 0.000 0.834 40 D CB -0.076 40.788 40.800 0.107 0.000 0.955 40 D HN 0.040 nan 8.370 nan 0.000 0.465 41 V N 0.503 120.532 119.914 0.190 0.000 2.453 41 V HA -0.164 3.957 4.120 0.001 0.000 0.247 41 V C 2.074 178.258 176.094 0.151 0.000 1.048 41 V CA 0.933 63.335 62.300 0.170 0.000 1.049 41 V CB -0.498 31.442 31.823 0.196 0.000 0.672 41 V HN 0.073 nan 8.190 nan 0.000 0.457 42 F N 1.906 121.892 119.950 0.061 0.000 2.075 42 F HA -0.202 4.325 4.527 0.001 0.000 0.297 42 F C 2.263 178.062 175.800 -0.002 0.000 1.113 42 F CA 2.276 60.251 58.000 -0.042 0.000 1.218 42 F CB -0.400 38.538 39.000 -0.103 0.000 0.984 42 F HN 0.316 nan 8.300 nan 0.000 0.472 43 D N 0.189 120.713 120.400 0.207 0.000 2.104 43 D HA -0.235 4.405 4.640 0.001 0.000 0.194 43 D C 2.177 178.465 176.300 -0.020 0.000 0.994 43 D CA 1.632 55.687 54.000 0.091 0.000 0.830 43 D CB -0.382 40.507 40.800 0.147 0.000 0.959 43 D HN 0.314 nan 8.370 nan 0.000 0.452 44 A N -0.212 122.615 122.820 0.011 0.000 1.978 44 A HA -0.116 4.204 4.320 0.001 0.000 0.220 44 A C 2.367 179.924 177.584 -0.045 0.000 1.170 44 A CA 1.295 53.331 52.037 -0.001 0.000 0.636 44 A CB -0.674 18.348 19.000 0.037 0.000 0.810 44 A HN 0.440 nan 8.150 nan 0.000 0.448 45 I N -1.022 119.485 120.570 -0.104 0.000 2.270 45 I HA -0.129 4.042 4.170 0.001 0.000 0.239 45 I C 2.298 178.306 176.117 -0.181 0.000 1.080 45 I CA 0.770 61.990 61.300 -0.134 0.000 1.383 45 I CB -0.440 37.453 38.000 -0.178 0.000 1.097 45 I HN 0.113 nan 8.210 nan 0.000 0.420 46 V N 1.029 120.749 119.914 -0.324 0.000 2.324 46 V HA -0.297 3.823 4.120 0.001 0.000 0.250 46 V C 2.443 178.455 176.094 -0.135 0.000 1.060 46 V CA 2.588 64.716 62.300 -0.286 0.000 1.042 46 V CB -1.313 30.270 31.823 -0.400 0.000 0.650 46 V HN 0.666 nan 8.190 nan 0.000 0.450 47 T N -2.932 111.562 114.554 -0.100 0.000 3.107 47 T HA 0.231 4.581 4.350 0.001 0.000 0.249 47 T C 0.832 175.502 174.700 -0.049 0.000 1.096 47 T CA 0.073 62.139 62.100 -0.056 0.000 1.012 47 T CB -0.310 68.539 68.868 -0.032 0.000 0.977 47 T HN 0.373 nan 8.240 nan 0.000 0.527 48 L N -0.719 120.473 121.223 -0.053 0.000 4.089 48 L HA -0.235 4.106 4.340 0.001 0.000 0.408 48 L C 1.369 178.218 176.870 -0.035 0.000 1.184 48 L CA 0.650 55.468 54.840 -0.038 0.000 0.947 48 L CB -2.051 39.985 42.059 -0.038 0.000 2.066 48 L HN 0.317 nan 8.230 nan 0.000 0.851 49 K N -0.148 120.234 120.400 -0.031 0.000 2.288 49 K HA 0.147 4.467 4.320 0.001 0.000 0.201 49 K C 0.727 177.316 176.600 -0.017 0.000 1.048 49 K CA 1.127 57.395 56.287 -0.030 0.000 0.956 49 K CB 0.575 33.063 32.500 -0.019 0.000 0.746 49 K HN 0.236 nan 8.250 nan 0.000 0.461 50 V N 1.449 121.363 119.914 -0.001 0.000 2.709 50 V HA 0.494 4.614 4.120 0.001 0.000 0.308 50 V C -1.761 174.345 176.094 0.021 0.000 1.062 50 V CA -0.784 61.530 62.300 0.024 0.000 0.901 50 V CB 1.699 33.554 31.823 0.054 0.000 1.003 50 V HN 0.305 nan 8.190 nan 0.000 0.425 51 R N 3.681 124.202 120.500 0.035 0.000 2.747 51 R HA 0.934 5.275 4.340 0.001 0.000 0.272 51 R C -0.232 176.106 176.300 0.063 0.000 1.032 51 R CA -0.363 55.764 56.100 0.044 0.000 0.896 51 R CB 0.616 30.935 30.300 0.031 0.000 1.253 51 R HN 2.153 nan 8.270 nan 0.000 0.461 52 G N -0.731 108.115 108.800 0.077 0.000 3.225 52 G HA2 0.391 4.351 3.960 0.001 0.000 0.686 52 G HA3 0.391 4.351 3.960 0.001 0.000 0.686 52 G C 0.523 175.465 174.900 0.071 0.000 1.105 52 G CA 0.019 45.168 45.100 0.082 0.000 0.831 52 G HN 1.166 nan 8.290 nan 0.000 0.578 53 A N 3.979 126.833 122.820 0.057 0.000 1.881 53 A HA -0.042 4.279 4.320 0.001 0.000 0.219 53 A C 0.745 178.356 177.584 0.045 0.000 1.215 53 A CA 3.034 55.089 52.037 0.030 0.000 0.648 53 A CB -1.329 17.663 19.000 -0.013 0.000 0.832 53 A HN 0.638 nan 8.150 nan 0.000 0.455 54 P HA -0.137 nan 4.420 nan 0.000 0.215 54 P C 1.762 179.119 177.300 0.095 0.000 1.157 54 P CA 2.133 65.267 63.100 0.057 0.000 0.868 54 P CB -0.187 31.542 31.700 0.048 0.000 0.788 55 A N -0.893 121.983 122.820 0.094 0.000 1.933 55 A HA -0.161 4.159 4.320 0.001 0.000 0.218 55 A C 2.193 179.840 177.584 0.105 0.000 1.175 55 A CA 1.373 53.475 52.037 0.109 0.000 0.628 55 A CB -1.636 17.428 19.000 0.107 0.000 0.814 55 A HN 0.122 nan 8.150 nan 0.000 0.444 56 I N -0.400 120.223 120.570 0.087 0.000 2.315 56 I HA -0.176 3.994 4.170 0.001 0.000 0.248 56 I C 2.626 178.794 176.117 0.085 0.000 1.117 56 I CA 1.046 62.391 61.300 0.075 0.000 1.404 56 I CB -0.512 37.520 38.000 0.054 0.000 1.071 56 I HN 0.393 nan 8.210 nan 0.000 0.419 57 G N 1.126 109.994 108.800 0.114 0.000 2.394 57 G HA2 -0.138 3.823 3.960 0.001 0.000 0.215 57 G HA3 -0.138 3.823 3.960 0.001 0.000 0.215 57 G C 1.699 176.646 174.900 0.077 0.000 1.165 57 G CA 0.399 45.589 45.100 0.151 0.000 0.784 57 G HN 0.274 nan 8.290 nan 0.000 0.535 58 I N 0.794 121.406 120.570 0.069 0.000 2.179 58 I HA -0.170 4.001 4.170 0.001 0.000 0.242 58 I C 2.983 179.078 176.117 -0.035 0.000 1.088 58 I CA 1.450 62.715 61.300 -0.058 0.000 1.357 58 I CB -0.522 37.500 38.000 0.037 0.000 1.051 58 I HN 0.088 nan 8.210 nan 0.000 0.409 59 T N 0.755 115.385 114.554 0.127 0.000 2.746 59 T HA -0.166 4.185 4.350 0.001 0.000 0.267 59 T C 2.018 176.821 174.700 0.171 0.000 1.039 59 T CA 1.505 63.735 62.100 0.216 0.000 1.142 59 T CB -0.274 68.698 68.868 0.175 0.000 0.866 59 T HN 0.486 nan 8.240 nan 0.000 0.444 60 A N 1.336 124.211 122.820 0.092 0.000 1.898 60 A HA 0.179 4.500 4.320 0.001 0.000 0.216 60 A C 2.643 180.256 177.584 0.047 0.000 1.181 60 A CA 1.804 53.886 52.037 0.074 0.000 0.620 60 A CB -1.103 17.923 19.000 0.043 0.000 0.819 60 A HN 0.501 nan 8.150 nan 0.000 0.442 61 A N -0.900 121.887 122.820 -0.054 0.000 1.883 61 A HA -0.037 4.284 4.320 0.001 0.000 0.217 61 A C 1.916 179.454 177.584 -0.078 0.000 1.186 61 A CA 1.704 53.645 52.037 -0.159 0.000 0.624 61 A CB -0.782 18.003 19.000 -0.358 0.000 0.822 61 A HN 0.441 nan 8.150 nan 0.000 0.444 62 F N 0.427 120.404 119.950 0.045 0.000 2.186 62 F HA 0.015 4.542 4.527 0.001 0.000 0.299 62 F C 2.620 178.595 175.800 0.291 0.000 1.090 62 F CA 0.504 58.575 58.000 0.118 0.000 1.307 62 F CB -1.178 38.005 39.000 0.305 0.000 1.019 62 F HN 0.260 nan 8.300 nan 0.000 0.489 63 G N -0.031 109.007 108.800 0.396 0.000 2.421 63 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 63 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 63 G C 1.727 176.782 174.900 0.258 0.000 1.171 63 G CA 0.930 46.216 45.100 0.310 0.000 0.775 63 G HN 0.322 nan 8.290 nan 0.000 0.543 64 L N 1.370 122.703 121.223 0.184 0.000 2.017 64 L HA 0.150 4.491 4.340 0.001 0.000 0.208 64 L C 3.109 180.073 176.870 0.157 0.000 1.073 64 L CA 2.191 57.110 54.840 0.132 0.000 0.745 64 L CB -0.795 41.300 42.059 0.060 0.000 0.894 64 L HN 0.250 nan 8.230 nan 0.000 0.432 65 A N -0.340 122.584 122.820 0.172 0.000 1.851 65 A HA -0.264 4.056 4.320 0.001 0.000 0.216 65 A C 2.379 180.170 177.584 0.344 0.000 1.195 65 A CA 2.220 54.374 52.037 0.195 0.000 0.622 65 A CB -1.237 17.800 19.000 0.061 0.000 0.831 65 A HN 0.561 nan 8.150 nan 0.000 0.444 66 L N -0.653 120.885 121.223 0.526 0.000 2.013 66 L HA -0.202 4.138 4.340 0.001 0.000 0.212 66 L C 2.697 179.726 176.870 0.265 0.000 1.073 66 L CA 1.946 57.076 54.840 0.484 0.000 0.753 66 L CB -0.338 41.965 42.059 0.406 0.000 0.890 66 L HN 0.382 nan 8.230 nan 0.000 0.432 67 A N -0.591 122.360 122.820 0.218 0.000 2.067 67 A HA -0.039 4.281 4.320 0.001 0.000 0.219 67 A C 2.350 180.016 177.584 0.137 0.000 1.158 67 A CA 1.306 53.432 52.037 0.149 0.000 0.661 67 A CB -0.773 18.305 19.000 0.130 0.000 0.801 67 A HN 0.603 nan 8.150 nan 0.000 0.452 68 A N -0.013 122.909 122.820 0.170 0.000 2.014 68 A HA -0.074 4.246 4.320 0.001 0.000 0.218 68 A C 2.010 179.772 177.584 0.296 0.000 1.163 68 A CA 1.438 53.600 52.037 0.209 0.000 0.652 68 A CB -0.324 18.834 19.000 0.263 0.000 0.808 68 A HN 0.533 nan 8.150 nan 0.000 0.449 69 K N 0.061 120.599 120.400 0.231 0.000 2.103 69 K HA -0.147 4.174 4.320 0.001 0.000 0.207 69 K C 0.782 177.467 176.600 0.142 0.000 1.048 69 K CA 1.412 57.807 56.287 0.181 0.000 0.930 69 K CB -0.214 32.381 32.500 0.158 0.000 0.716 69 K HN 0.403 nan 8.250 nan 0.000 0.444 70 D N 0.740 121.215 120.400 0.125 0.000 2.378 70 D HA -0.008 4.633 4.640 0.001 0.000 0.227 70 D C 0.546 176.904 176.300 0.098 0.000 1.012 70 D CA 0.563 54.617 54.000 0.089 0.000 0.905 70 D CB 0.004 40.842 40.800 0.064 0.000 0.895 70 D HN 0.204 nan 8.370 nan 0.000 0.532 71 I N 1.935 122.599 120.570 0.157 0.000 2.471 71 I HA -0.017 4.153 4.170 0.001 0.000 0.286 71 I C 0.595 176.810 176.117 0.164 0.000 1.079 71 I CA 0.248 61.653 61.300 0.175 0.000 1.398 71 I CB 0.648 38.819 38.000 0.285 0.000 1.403 71 I HN -0.322 nan 8.210 nan 0.000 0.530 72 E N 4.943 125.209 120.200 0.109 0.000 2.176 72 E HA 0.607 4.958 4.350 0.001 0.000 0.267 72 E C -0.395 176.246 176.600 0.069 0.000 0.893 72 E CA -0.266 56.179 56.400 0.074 0.000 0.761 72 E CB 2.441 32.168 29.700 0.045 0.000 1.133 72 E HN 0.703 nan 8.360 nan 0.000 0.409 73 T N 1.129 115.715 114.554 0.053 0.000 2.629 73 T HA 0.129 4.479 4.350 0.001 0.000 0.269 73 T C -1.647 173.063 174.700 0.017 0.000 2.044 73 T CA -0.106 62.019 62.100 0.043 0.000 0.948 73 T CB -0.074 68.837 68.868 0.072 0.000 2.198 73 T HN 0.500 nan 8.240 nan 0.000 0.432 74 D N 0.174 120.581 120.400 0.011 0.000 2.640 74 D HA 0.222 4.862 4.640 0.001 0.000 0.282 74 D C -0.190 176.106 176.300 -0.006 0.000 1.558 74 D CA -0.426 53.565 54.000 -0.015 0.000 0.820 74 D CB -0.087 40.702 40.800 -0.018 0.000 1.243 74 D HN 0.381 nan 8.370 nan 0.000 0.456 75 N N 1.666 120.378 118.700 0.020 0.000 2.609 75 N HA 0.058 4.798 4.740 0.001 0.000 0.234 75 N C 0.734 176.278 175.510 0.057 0.000 1.001 75 N CA -0.232 52.835 53.050 0.028 0.000 0.926 75 N CB 1.812 40.319 38.487 0.032 0.000 1.130 75 N HN -0.018 nan 8.380 nan 0.000 0.510 76 V N 3.632 123.567 119.914 0.035 0.000 2.982 76 V HA -0.167 3.953 4.120 0.001 0.000 0.265 76 V C 1.662 177.831 176.094 0.126 0.000 1.122 76 V CA 1.874 64.215 62.300 0.068 0.000 1.143 76 V CB -0.404 31.421 31.823 0.003 0.000 0.726 76 V HN 0.667 nan 8.190 nan 0.000 0.507 77 T N -0.884 113.717 114.554 0.079 0.000 2.978 77 T HA -0.057 4.293 4.350 0.001 0.000 0.262 77 T C 1.809 176.550 174.700 0.068 0.000 1.063 77 T CA 0.955 63.093 62.100 0.063 0.000 1.140 77 T CB -0.073 68.815 68.868 0.033 0.000 0.886 77 T HN 0.486 nan 8.240 nan 0.000 0.470 78 E N 0.232 120.480 120.200 0.081 0.000 2.152 78 E HA -0.027 4.323 4.350 0.001 0.000 0.192 78 E C 1.783 178.439 176.600 0.093 0.000 0.983 78 E CA 0.499 56.940 56.400 0.068 0.000 0.818 78 E CB -0.118 29.620 29.700 0.063 0.000 0.758 78 E HN 0.484 nan 8.360 nan 0.000 0.467 79 F N 1.873 121.819 119.950 -0.006 0.000 2.113 79 F HA -0.137 4.390 4.527 0.001 0.000 0.297 79 F C 2.328 178.125 175.800 -0.004 0.000 1.103 79 F CA 1.476 59.474 58.000 -0.004 0.000 1.248 79 F CB -0.048 38.948 39.000 -0.007 0.000 0.999 79 F HN -0.143 nan 8.300 nan 0.000 0.475 80 R N 0.014 120.527 120.500 0.022 0.000 2.073 80 R HA -0.171 4.170 4.340 0.001 0.000 0.234 80 R C 2.543 178.769 176.300 -0.123 0.000 1.134 80 R CA 1.538 57.588 56.100 -0.083 0.000 0.952 80 R CB -0.622 29.693 30.300 0.025 0.000 0.850 80 R HN 0.246 nan 8.270 nan 0.000 0.433 81 R N 1.390 121.853 120.500 -0.062 0.000 2.091 81 R HA -0.167 4.174 4.340 0.001 0.000 0.238 81 R C 2.093 178.342 176.300 -0.085 0.000 1.136 81 R CA 1.817 57.885 56.100 -0.054 0.000 0.959 81 R CB -0.204 30.083 30.300 -0.022 0.000 0.856 81 R HN 0.158 nan 8.270 nan 0.000 0.437 82 R N 0.253 120.681 120.500 -0.119 0.000 2.093 82 R HA -0.079 4.262 4.340 0.001 0.000 0.224 82 R C 2.482 178.665 176.300 -0.194 0.000 1.101 82 R CA 0.903 56.924 56.100 -0.132 0.000 0.979 82 R CB -0.308 29.924 30.300 -0.114 0.000 0.877 82 R HN 0.243 nan 8.270 nan 0.000 0.441 83 L N 1.517 122.535 121.223 -0.342 0.000 2.079 83 L HA -0.179 4.162 4.340 0.001 0.000 0.210 83 L C 2.003 178.769 176.870 -0.173 0.000 1.081 83 L CA 2.042 56.664 54.840 -0.365 0.000 0.752 83 L CB -0.468 41.258 42.059 -0.554 0.000 0.896 83 L HN 0.182 nan 8.230 nan 0.000 0.433 84 E N -0.212 119.909 120.200 -0.133 0.000 2.110 84 E HA -0.224 4.126 4.350 0.001 0.000 0.193 84 E C 1.805 178.383 176.600 -0.036 0.000 0.988 84 E CA 1.649 58.009 56.400 -0.067 0.000 0.804 84 E CB -0.222 29.446 29.700 -0.053 0.000 0.745 84 E HN 0.574 nan 8.360 nan 0.000 0.458 85 D N -0.152 120.222 120.400 -0.044 0.000 2.117 85 D HA -0.130 4.511 4.640 0.001 0.000 0.197 85 D C 2.032 178.343 176.300 0.018 0.000 0.987 85 D CA 0.990 54.979 54.000 -0.018 0.000 0.829 85 D CB -0.215 40.561 40.800 -0.040 0.000 0.961 85 D HN 0.303 nan 8.370 nan 0.000 0.460 86 I N 0.877 121.447 120.570 0.000 0.000 2.226 86 I HA -0.250 3.921 4.170 0.001 0.000 0.245 86 I C 2.475 178.665 176.117 0.122 0.000 1.100 86 I CA 0.993 62.331 61.300 0.065 0.000 1.374 86 I CB -0.244 37.771 38.000 0.025 0.000 1.057 86 I HN 0.005 nan 8.210 nan 0.000 0.413 87 K N 1.155 121.585 120.400 0.050 0.000 2.063 87 K HA -0.243 4.077 4.320 0.001 0.000 0.208 87 K C 2.055 178.693 176.600 0.063 0.000 1.048 87 K CA 1.664 57.977 56.287 0.044 0.000 0.928 87 K CB -0.060 32.440 32.500 -0.001 0.000 0.713 87 K HN 0.428 nan 8.250 nan 0.000 0.442 88 Q N -0.698 119.142 119.800 0.066 0.000 2.079 88 Q HA -0.209 4.132 4.340 0.001 0.000 0.200 88 Q C 2.075 178.141 176.000 0.109 0.000 0.974 88 Q CA 1.640 57.485 55.803 0.070 0.000 0.840 88 Q CB -0.375 28.396 28.738 0.056 0.000 0.898 88 Q HN 0.424 nan 8.270 nan 0.000 0.430 89 Y N 1.424 121.731 120.300 0.011 0.000 2.128 89 Y HA -0.251 4.300 4.550 0.001 0.000 0.284 89 Y C 1.872 177.848 175.900 0.127 0.000 1.154 89 Y CA 1.132 59.228 58.100 -0.006 0.000 1.149 89 Y CB -0.278 38.137 38.460 -0.074 0.000 0.976 89 Y HN 0.026 nan 8.280 nan 0.000 0.505 90 L N 1.189 122.405 121.223 -0.011 0.000 2.141 90 L HA -0.198 4.143 4.340 0.001 0.000 0.209 90 L C 2.301 179.183 176.870 0.020 0.000 1.094 90 L CA 1.719 56.557 54.840 -0.005 0.000 0.763 90 L CB -1.395 40.717 42.059 0.088 0.000 0.908 90 L HN 0.452 nan 8.230 nan 0.000 0.437 91 N N -1.117 117.602 118.700 0.033 0.000 2.270 91 N HA -0.133 4.608 4.740 0.001 0.000 0.181 91 N C 1.609 177.141 175.510 0.037 0.000 1.016 91 N CA 1.032 54.099 53.050 0.028 0.000 0.870 91 N CB 0.304 38.808 38.487 0.029 0.000 0.979 91 N HN 0.272 nan 8.380 nan 0.000 0.431 92 S N 0.137 115.880 115.700 0.071 0.000 2.440 92 S HA -0.110 4.360 4.470 0.001 0.000 0.238 92 S C 1.795 176.471 174.600 0.127 0.000 1.010 92 S CA 0.452 58.721 58.200 0.115 0.000 0.972 92 S CB -0.235 63.056 63.200 0.151 0.000 0.774 92 S HN 0.301 nan 8.310 nan 0.000 0.501 93 S N 1.304 117.042 115.700 0.064 0.000 2.521 93 S HA -0.141 4.329 4.470 0.001 0.000 0.246 93 S C 0.808 175.305 174.600 -0.172 0.000 1.059 93 S CA 1.247 59.288 58.200 -0.267 0.000 1.302 93 S CB -0.054 62.980 63.200 -0.276 0.000 1.216 93 S HN 0.513 nan 8.310 nan 0.000 0.421 94 R N 0.263 120.702 120.500 -0.101 0.000 2.750 94 R HA 0.360 4.700 4.340 0.001 0.000 0.281 94 R C -1.948 174.333 176.300 -0.030 0.000 0.972 94 R CA -1.634 54.438 56.100 -0.047 0.000 0.912 94 R CB 1.615 31.897 30.300 -0.029 0.000 1.187 94 R HN 0.316 nan 8.270 nan 0.000 0.464 95 P HA -0.019 nan 4.420 nan 0.000 0.218 95 P C 0.742 177.985 177.300 -0.095 0.000 1.151 95 P CA 1.019 64.097 63.100 -0.038 0.000 0.850 95 P CB 0.335 32.026 31.700 -0.014 0.000 0.801 96 T N 0.955 115.404 114.554 -0.175 0.000 2.708 96 T HA 0.009 4.360 4.350 0.001 0.000 0.266 96 T C 1.304 175.798 174.700 -0.342 0.000 1.037 96 T CA 1.212 63.103 62.100 -0.348 0.000 1.146 96 T CB -0.870 67.542 68.868 -0.761 0.000 0.865 96 T HN 0.179 nan 8.240 nan 0.000 0.435 97 A N 1.994 124.633 122.820 -0.302 0.000 2.438 97 A HA 0.350 4.671 4.320 0.001 0.000 0.280 97 A C 1.365 178.894 177.584 -0.091 0.000 1.160 97 A CA -0.309 51.613 52.037 -0.193 0.000 0.821 97 A CB -0.360 18.572 19.000 -0.114 0.000 1.101 97 A HN 0.378 nan 8.150 nan 0.000 0.515 98 I N 2.533 123.056 120.570 -0.078 0.000 2.756 98 I HA -0.160 4.010 4.170 0.001 0.000 0.262 98 I C 1.291 177.462 176.117 0.090 0.000 1.225 98 I CA 1.127 62.422 61.300 -0.008 0.000 1.472 98 I CB -0.772 37.210 38.000 -0.030 0.000 1.094 98 I HN 0.742 nan 8.210 nan 0.000 0.454 99 N N 0.650 119.394 118.700 0.074 0.000 2.223 99 N HA -0.217 4.524 4.740 0.001 0.000 0.185 99 N C 1.630 177.309 175.510 0.283 0.000 1.016 99 N CA 0.920 54.098 53.050 0.214 0.000 0.863 99 N CB -0.260 38.293 38.487 0.110 0.000 0.983 99 N HN 0.236 nan 8.380 nan 0.000 0.429 100 L N 0.611 121.915 121.223 0.135 0.000 1.970 100 L HA -0.123 4.218 4.340 0.001 0.000 0.212 100 L C 1.873 178.794 176.870 0.086 0.000 1.071 100 L CA 1.802 56.696 54.840 0.089 0.000 0.751 100 L CB -1.082 40.998 42.059 0.034 0.000 0.889 100 L HN 0.066 nan 8.230 nan 0.000 0.432 101 S N -1.084 114.667 115.700 0.085 0.000 2.348 101 S HA -0.259 4.212 4.470 0.001 0.000 0.221 101 S C 1.556 176.201 174.600 0.074 0.000 1.033 101 S CA 1.382 59.619 58.200 0.062 0.000 1.010 101 S CB -1.121 62.113 63.200 0.056 0.000 0.891 101 S HN 0.709 nan 8.310 nan 0.000 0.442 102 W N 2.786 124.071 121.300 -0.025 0.000 2.290 102 W HA -0.321 4.339 4.660 0.001 0.000 0.323 102 W C 2.451 178.957 176.519 -0.020 0.000 1.260 102 W CA 1.894 59.226 57.345 -0.022 0.000 1.266 102 W CB -0.782 28.671 29.460 -0.011 0.000 1.149 102 W HN 0.258 nan 8.180 nan 0.000 0.482 103 A N -0.109 122.548 122.820 -0.271 0.000 1.968 103 A HA -0.083 4.238 4.320 0.001 0.000 0.217 103 A C 2.129 179.493 177.584 -0.366 0.000 1.169 103 A CA 1.629 53.319 52.037 -0.579 0.000 0.638 103 A CB -0.881 18.007 19.000 -0.185 0.000 0.812 103 A HN 0.429 nan 8.150 nan 0.000 0.446 104 L N -0.866 120.246 121.223 -0.184 0.000 2.072 104 L HA -0.137 4.204 4.340 0.001 0.000 0.205 104 L C 2.621 179.412 176.870 -0.131 0.000 1.079 104 L CA 1.662 56.430 54.840 -0.120 0.000 0.752 104 L CB -0.549 41.481 42.059 -0.047 0.000 0.906 104 L HN 0.629 nan 8.230 nan 0.000 0.436 105 E N 1.014 121.129 120.200 -0.141 0.000 2.077 105 E HA -0.296 4.055 4.350 0.001 0.000 0.193 105 E C 2.331 178.843 176.600 -0.146 0.000 0.989 105 E CA 1.298 57.632 56.400 -0.109 0.000 0.800 105 E CB -0.003 29.645 29.700 -0.087 0.000 0.746 105 E HN 0.279 nan 8.360 nan 0.000 0.452 106 R N -0.061 120.250 120.500 -0.315 0.000 2.091 106 R HA -0.177 4.164 4.340 0.001 0.000 0.238 106 R C 2.318 178.521 176.300 -0.162 0.000 1.136 106 R CA 1.489 57.393 56.100 -0.325 0.000 0.959 106 R CB -0.265 29.639 30.300 -0.661 0.000 0.856 106 R HN 0.227 nan 8.270 nan 0.000 0.437 107 L N 0.703 121.819 121.223 -0.180 0.000 2.027 107 L HA -0.135 4.206 4.340 0.001 0.000 0.206 107 L C 2.574 179.423 176.870 -0.035 0.000 1.074 107 L CA 2.160 56.940 54.840 -0.100 0.000 0.745 107 L CB -0.602 41.394 42.059 -0.106 0.000 0.898 107 L HN 0.377 nan 8.230 nan 0.000 0.433 108 S N -2.252 113.428 115.700 -0.032 0.000 2.447 108 S HA -0.259 4.211 4.470 0.001 0.000 0.233 108 S C 2.002 176.606 174.600 0.006 0.000 1.006 108 S CA 1.169 59.361 58.200 -0.013 0.000 0.957 108 S CB -0.778 62.408 63.200 -0.023 0.000 0.773 108 S HN 0.630 nan 8.310 nan 0.000 0.507 109 H N 2.285 121.320 119.070 -0.058 0.000 2.428 109 H HA 0.052 4.609 4.556 0.001 0.000 0.296 109 H C 2.165 177.475 175.328 -0.030 0.000 1.062 109 H CA 1.629 57.652 56.048 -0.043 0.000 1.350 109 H CB -0.327 29.401 29.762 -0.057 0.000 1.403 109 H HN 0.581 nan 8.280 nan 0.000 0.533 110 S N -0.107 115.589 115.700 -0.006 0.000 2.474 110 S HA -0.092 4.379 4.470 0.001 0.000 0.235 110 S C 1.734 176.298 174.600 -0.060 0.000 0.997 110 S CA 0.845 59.027 58.200 -0.030 0.000 0.949 110 S CB -0.463 62.740 63.200 0.005 0.000 0.766 110 S HN 0.373 nan 8.310 nan 0.000 0.517 111 V N -1.919 117.970 119.914 -0.041 0.000 3.427 111 V HA 0.477 4.597 4.120 0.001 0.000 0.305 111 V C 1.770 177.848 176.094 -0.027 0.000 1.412 111 V CA 0.462 62.763 62.300 0.003 0.000 1.086 111 V CB -0.061 31.840 31.823 0.130 0.000 0.964 111 V HN 0.227 nan 8.190 nan 0.000 0.439 112 E N 2.588 122.720 120.200 -0.114 0.000 2.204 112 E HA -0.099 4.252 4.350 0.001 0.000 0.195 112 E C 1.336 177.880 176.600 -0.093 0.000 0.990 112 E CA 1.484 57.814 56.400 -0.117 0.000 0.821 112 E CB -0.138 29.432 29.700 -0.216 0.000 0.750 112 E HN 0.713 nan 8.360 nan 0.000 0.477 113 N N -0.029 118.607 118.700 -0.106 0.000 2.338 113 N HA 0.233 4.973 4.740 0.001 0.000 0.251 113 N C -0.926 174.553 175.510 -0.052 0.000 1.199 113 N CA 0.321 53.328 53.050 -0.072 0.000 0.879 113 N CB 0.976 39.415 38.487 -0.080 0.000 1.159 113 N HN 0.074 nan 8.380 nan 0.000 0.514 114 A N 0.774 123.568 122.820 -0.044 0.000 2.371 114 A HA 0.392 4.713 4.320 0.001 0.000 0.257 114 A C 1.192 178.753 177.584 -0.039 0.000 1.089 114 A CA -0.320 51.690 52.037 -0.045 0.000 0.794 114 A CB 0.187 19.159 19.000 -0.047 0.000 1.029 114 A HN 0.243 nan 8.150 nan 0.000 0.488 115 I N -0.241 120.301 120.570 -0.048 0.000 4.057 115 I HA 0.269 4.439 4.170 0.001 0.000 0.334 115 I C 0.528 176.614 176.117 -0.052 0.000 1.308 115 I CA 0.434 61.710 61.300 -0.040 0.000 1.125 115 I CB -0.196 37.784 38.000 -0.034 0.000 1.034 115 I HN 0.456 nan 8.210 nan 0.000 0.401 116 S N -0.907 114.746 115.700 -0.079 0.000 2.588 116 S HA 0.592 5.063 4.470 0.001 0.000 0.275 116 S C 0.505 174.994 174.600 -0.185 0.000 1.130 116 S CA -0.275 57.863 58.200 -0.104 0.000 0.855 116 S CB 1.640 64.786 63.200 -0.091 0.000 1.116 116 S HN -0.119 nan 8.310 nan 0.000 0.472 117 V N 2.052 121.827 119.914 -0.231 0.000 2.358 117 V HA -0.097 4.023 4.120 0.001 0.000 0.246 117 V C 2.134 177.963 176.094 -0.442 0.000 1.047 117 V CA 2.049 64.082 62.300 -0.446 0.000 1.035 117 V CB -1.137 30.474 31.823 -0.353 0.000 0.658 117 V HN 0.862 nan 8.190 nan 0.000 0.452 118 N N -0.168 118.381 118.700 -0.250 0.000 2.453 118 N HA -0.133 4.607 4.740 0.001 0.000 0.183 118 N C 1.809 177.213 175.510 -0.177 0.000 1.041 118 N CA 0.886 53.825 53.050 -0.185 0.000 0.900 118 N CB -0.152 38.268 38.487 -0.112 0.000 0.961 118 N HN 0.611 nan 8.380 nan 0.000 0.443 119 E N 0.323 120.413 120.200 -0.184 0.000 2.086 119 E HA 0.009 4.360 4.350 0.001 0.000 0.190 119 E C 1.703 178.198 176.600 -0.175 0.000 0.975 119 E CA 0.566 56.872 56.400 -0.157 0.000 0.813 119 E CB 0.082 29.709 29.700 -0.122 0.000 0.768 119 E HN 0.269 nan 8.360 nan 0.000 0.457 120 A N 1.944 124.623 122.820 -0.235 0.000 1.865 120 A HA -0.219 4.102 4.320 0.001 0.000 0.217 120 A C 2.085 179.597 177.584 -0.120 0.000 1.191 120 A CA 1.832 53.750 52.037 -0.198 0.000 0.623 120 A CB -0.399 18.347 19.000 -0.423 0.000 0.826 120 A HN 0.152 nan 8.150 nan 0.000 0.444 121 K N -0.949 119.312 120.400 -0.232 0.000 2.026 121 K HA -0.102 4.218 4.320 0.001 0.000 0.208 121 K C 2.142 178.728 176.600 -0.023 0.000 1.048 121 K CA 1.762 58.034 56.287 -0.026 0.000 0.929 121 K CB -0.555 31.918 32.500 -0.045 0.000 0.713 121 K HN 0.466 nan 8.250 nan 0.000 0.439 122 T N 1.620 116.107 114.554 -0.112 0.000 2.684 122 T HA -0.120 4.230 4.350 0.001 0.000 0.267 122 T C 1.575 176.088 174.700 -0.313 0.000 1.036 122 T CA 1.540 63.516 62.100 -0.207 0.000 1.148 122 T CB -0.337 68.367 68.868 -0.273 0.000 0.863 122 T HN 0.196 nan 8.240 nan 0.000 0.436 123 N N 1.273 119.839 118.700 -0.224 0.000 2.094 123 N HA -0.029 4.711 4.740 0.001 0.000 0.191 123 N C 1.832 177.318 175.510 -0.041 0.000 1.023 123 N CA 0.915 53.879 53.050 -0.143 0.000 0.857 123 N CB -0.686 37.754 38.487 -0.077 0.000 1.013 123 N HN 0.345 nan 8.380 nan 0.000 0.426 124 L N 0.105 121.325 121.223 -0.004 0.000 1.994 124 L HA -0.142 4.199 4.340 0.001 0.000 0.208 124 L C 2.198 179.057 176.870 -0.020 0.000 1.071 124 L CA 0.901 55.749 54.840 0.014 0.000 0.745 124 L CB -0.641 41.466 42.059 0.081 0.000 0.892 124 L HN -0.012 nan 8.230 nan 0.000 0.431 125 V N -0.825 119.089 119.914 0.001 0.000 2.469 125 V HA -0.318 3.802 4.120 0.001 0.000 0.251 125 V C 2.384 178.491 176.094 0.022 0.000 1.064 125 V CA 1.801 64.058 62.300 -0.072 0.000 1.066 125 V CB -0.878 30.981 31.823 0.060 0.000 0.667 125 V HN 0.443 nan 8.190 nan 0.000 0.461 126 H N -0.656 118.361 119.070 -0.088 0.000 2.403 126 H HA -0.028 4.529 4.556 0.001 0.000 0.298 126 H C 2.264 177.545 175.328 -0.078 0.000 1.059 126 H CA 1.434 57.444 56.048 -0.062 0.000 1.363 126 H CB -0.054 29.690 29.762 -0.030 0.000 1.410 126 H HN 0.374 nan 8.280 nan 0.000 0.528 127 E N 0.572 120.796 120.200 0.040 0.000 2.028 127 E HA -0.049 4.302 4.350 0.001 0.000 0.191 127 E C 2.351 178.861 176.600 -0.149 0.000 0.988 127 E CA 1.144 57.515 56.400 -0.049 0.000 0.799 127 E CB -0.330 29.330 29.700 -0.067 0.000 0.755 127 E HN 0.380 nan 8.360 nan 0.000 0.447 128 A N 0.520 123.205 122.820 -0.225 0.000 1.883 128 A HA -0.202 4.118 4.320 0.001 0.000 0.217 128 A C 2.374 179.678 177.584 -0.466 0.000 1.186 128 A CA 1.764 53.509 52.037 -0.485 0.000 0.624 128 A CB -0.880 17.748 19.000 -0.621 0.000 0.822 128 A HN 0.326 nan 8.150 nan 0.000 0.444 129 I N -0.627 119.860 120.570 -0.139 0.000 2.226 129 I HA -0.314 3.857 4.170 0.001 0.000 0.245 129 I C 2.802 178.912 176.117 -0.011 0.000 1.100 129 I CA 1.840 63.166 61.300 0.044 0.000 1.374 129 I CB -0.279 37.726 38.000 0.009 0.000 1.057 129 I HN 0.550 nan 8.210 nan 0.000 0.413 130 Q N 1.119 120.893 119.800 -0.043 0.000 2.170 130 Q HA -0.198 4.142 4.340 0.001 0.000 0.203 130 Q C 2.311 178.312 176.000 0.002 0.000 0.976 130 Q CA 1.469 57.264 55.803 -0.013 0.000 0.858 130 Q CB 0.016 28.750 28.738 -0.006 0.000 0.907 130 Q HN 0.543 nan 8.270 nan 0.000 0.433 131 I N 0.630 121.170 120.570 -0.049 0.000 2.226 131 I HA -0.312 3.858 4.170 0.001 0.000 0.245 131 I C 2.692 178.845 176.117 0.060 0.000 1.100 131 I CA 1.612 62.920 61.300 0.013 0.000 1.374 131 I CB -0.369 37.567 38.000 -0.106 0.000 1.057 131 I HN 0.429 nan 8.210 nan 0.000 0.413 132 Q N 1.037 120.836 119.800 -0.001 0.000 2.046 132 Q HA -0.161 4.180 4.340 0.001 0.000 0.200 132 Q C 2.290 178.352 176.000 0.103 0.000 0.975 132 Q CA 1.878 57.727 55.803 0.077 0.000 0.836 132 Q CB -0.021 28.812 28.738 0.159 0.000 0.896 132 Q HN 0.305 nan 8.270 nan 0.000 0.428 133 V N 1.551 121.518 119.914 0.090 0.000 2.332 133 V HA -0.264 3.856 4.120 0.001 0.000 0.248 133 V C 2.090 178.233 176.094 0.082 0.000 1.055 133 V CA 2.283 64.633 62.300 0.082 0.000 1.038 133 V CB -0.636 31.221 31.823 0.058 0.000 0.651 133 V HN 0.429 nan 8.190 nan 0.000 0.450 134 E N -0.117 120.131 120.200 0.080 0.000 2.072 134 E HA -0.272 4.078 4.350 0.001 0.000 0.191 134 E C 1.997 178.649 176.600 0.086 0.000 0.985 134 E CA 1.511 57.960 56.400 0.081 0.000 0.801 134 E CB -0.208 29.553 29.700 0.101 0.000 0.750 134 E HN 0.689 nan 8.360 nan 0.000 0.452 135 D N 0.825 121.288 120.400 0.105 0.000 2.149 135 D HA -0.180 4.460 4.640 0.001 0.000 0.198 135 D C 1.642 178.012 176.300 0.118 0.000 0.990 135 D CA 1.188 55.246 54.000 0.097 0.000 0.839 135 D CB 0.135 40.999 40.800 0.108 0.000 0.948 135 D HN 0.163 nan 8.370 nan 0.000 0.460 136 E N -0.159 120.127 120.200 0.144 0.000 2.085 136 E HA -0.208 4.142 4.350 0.001 0.000 0.194 136 E C 1.939 178.638 176.600 0.165 0.000 0.994 136 E CA 0.872 57.408 56.400 0.227 0.000 0.801 136 E CB -0.038 29.795 29.700 0.222 0.000 0.743 136 E HN 0.262 nan 8.360 nan 0.000 0.453 137 E N 0.162 120.412 120.200 0.084 0.000 2.047 137 E HA -0.129 4.221 4.350 0.001 0.000 0.191 137 E C 2.344 178.942 176.600 -0.003 0.000 0.987 137 E CA 1.779 58.190 56.400 0.018 0.000 0.799 137 E CB -0.431 29.279 29.700 0.017 0.000 0.752 137 E HN 0.392 nan 8.360 nan 0.000 0.449 138 T N -1.531 113.035 114.554 0.019 0.000 2.788 138 T HA -0.164 4.186 4.350 0.001 0.000 0.268 138 T C 2.421 177.127 174.700 0.011 0.000 1.044 138 T CA 1.385 63.487 62.100 0.004 0.000 1.139 138 T CB -0.972 67.899 68.868 0.005 0.000 0.867 138 T HN 0.108 nan 8.240 nan 0.000 0.454 139 C N 1.547 120.878 119.300 0.052 0.000 2.429 139 C HA 0.035 4.496 4.460 0.001 0.000 0.277 139 C C 3.163 178.157 174.990 0.007 0.000 1.262 139 C CA 0.648 59.716 59.018 0.083 0.000 1.733 139 C CB -1.079 26.790 27.740 0.213 0.000 2.010 139 C HN 0.595 nan 8.230 nan 0.000 0.483 140 R N 0.375 120.805 120.500 -0.117 0.000 2.073 140 R HA -0.091 4.249 4.340 0.001 0.000 0.234 140 R C 2.105 178.333 176.300 -0.121 0.000 1.134 140 R CA 1.241 57.187 56.100 -0.257 0.000 0.952 140 R CB -0.477 29.609 30.300 -0.358 0.000 0.850 140 R HN 0.513 nan 8.270 nan 0.000 0.433 141 L N 0.483 121.657 121.223 -0.082 0.000 2.046 141 L HA -0.184 4.156 4.340 0.001 0.000 0.208 141 L C 2.452 179.295 176.870 -0.046 0.000 1.077 141 L CA 1.266 56.071 54.840 -0.059 0.000 0.747 141 L CB -0.403 41.626 42.059 -0.050 0.000 0.896 141 L HN 0.186 nan 8.230 nan 0.000 0.432 142 I N -0.215 120.337 120.570 -0.031 0.000 2.179 142 I HA -0.230 3.941 4.170 0.001 0.000 0.242 142 I C 2.612 178.714 176.117 -0.026 0.000 1.088 142 I CA 1.520 62.806 61.300 -0.024 0.000 1.357 142 I CB -0.846 37.151 38.000 -0.005 0.000 1.051 142 I HN 0.294 nan 8.210 nan 0.000 0.409 143 G N -0.298 108.495 108.800 -0.011 0.000 2.422 143 G HA2 -0.296 3.665 3.960 0.001 0.000 0.218 143 G HA3 -0.296 3.665 3.960 0.001 0.000 0.218 143 G C 1.544 176.445 174.900 0.002 0.000 1.146 143 G CA 0.582 45.686 45.100 0.007 0.000 0.769 143 G HN 0.297 nan 8.290 nan 0.000 0.547 144 Q N 0.504 120.292 119.800 -0.020 0.000 2.002 144 Q HA -0.098 4.243 4.340 0.001 0.000 0.204 144 Q C 2.575 178.547 176.000 -0.047 0.000 0.988 144 Q CA 1.871 57.657 55.803 -0.029 0.000 0.843 144 Q CB -0.142 28.569 28.738 -0.044 0.000 0.908 144 Q HN 0.401 nan 8.270 nan 0.000 0.420 145 N N -0.410 118.253 118.700 -0.061 0.000 2.188 145 N HA -0.104 4.636 4.740 0.001 0.000 0.184 145 N C 1.404 176.826 175.510 -0.146 0.000 1.018 145 N CA 1.241 54.237 53.050 -0.090 0.000 0.858 145 N CB -0.359 38.082 38.487 -0.077 0.000 0.989 145 N HN 0.312 nan 8.380 nan 0.000 0.426 146 A N 0.822 123.561 122.820 -0.135 0.000 2.067 146 A HA -0.024 4.297 4.320 0.001 0.000 0.219 146 A C 2.187 179.578 177.584 -0.322 0.000 1.158 146 A CA 0.532 52.432 52.037 -0.228 0.000 0.661 146 A CB -0.429 18.519 19.000 -0.086 0.000 0.801 146 A HN 0.168 nan 8.150 nan 0.000 0.452 147 L N 0.612 121.760 121.223 -0.125 0.000 2.056 147 L HA -0.197 4.144 4.340 0.001 0.000 0.207 147 L C 2.640 179.405 176.870 -0.175 0.000 1.078 147 L CA 2.335 57.153 54.840 -0.036 0.000 0.749 147 L CB -0.578 41.510 42.059 0.048 0.000 0.901 147 L HN 0.672 nan 8.230 nan 0.000 0.433 148 Q N -0.794 118.884 119.800 -0.203 0.000 2.561 148 Q HA -0.165 4.176 4.340 0.001 0.000 0.217 148 Q C 1.569 177.394 176.000 -0.291 0.000 0.980 148 Q CA 1.094 56.786 55.803 -0.184 0.000 0.927 148 Q CB -0.460 28.195 28.738 -0.138 0.000 0.980 148 Q HN 0.542 nan 8.270 nan 0.000 0.525 149 L N -0.321 120.544 121.223 -0.597 0.000 2.607 149 L HA 0.264 4.604 4.340 0.001 0.000 0.228 149 L C -0.256 176.187 176.870 -0.711 0.000 1.123 149 L CA -0.149 54.218 54.840 -0.789 0.000 0.890 149 L CB 0.251 41.507 42.059 -1.338 0.000 1.103 149 L HN 0.014 nan 8.230 nan 0.000 0.468 150 F N 0.378 120.307 119.950 -0.034 0.000 2.532 150 F HA 0.442 4.970 4.527 0.001 0.000 0.321 150 F C 0.248 176.049 175.800 0.001 0.000 1.089 150 F CA -1.623 56.378 58.000 0.002 0.000 0.926 150 F CB 1.270 40.278 39.000 0.013 0.000 1.168 150 F HN -0.151 nan 8.300 nan 0.000 0.459 151 K N 1.038 121.562 120.400 0.207 0.000 2.139 151 K HA 0.446 4.766 4.320 0.001 0.000 0.243 151 K C -0.431 176.220 176.600 0.084 0.000 0.983 151 K CA -1.095 55.257 56.287 0.109 0.000 0.890 151 K CB 1.916 34.465 32.500 0.081 0.000 1.090 151 K HN 0.554 nan 8.250 nan 0.000 0.445 152 K N 0.360 120.791 120.400 0.051 0.000 2.489 152 K HA -0.050 4.271 4.320 0.001 0.000 0.278 152 K C 0.537 177.147 176.600 0.017 0.000 1.000 152 K CA 1.570 57.873 56.287 0.027 0.000 1.012 152 K CB -0.258 32.253 32.500 0.018 0.000 0.903 152 K HN 0.942 nan 8.250 nan 0.000 0.485 153 G N 3.178 111.976 108.800 -0.003 0.000 2.148 153 G HA2 -0.229 3.732 3.960 0.001 0.000 0.254 153 G HA3 -0.229 3.732 3.960 0.001 0.000 0.254 153 G C -0.182 174.716 174.900 -0.003 0.000 0.981 153 G CA 0.359 45.456 45.100 -0.005 0.000 0.670 153 G HN 0.750 nan 8.290 nan 0.000 0.528 154 D N 0.248 120.641 120.400 -0.012 0.000 2.399 154 D HA 0.437 5.077 4.640 0.001 0.000 0.241 154 D C 1.055 177.307 176.300 -0.081 0.000 1.133 154 D CA 0.155 54.143 54.000 -0.021 0.000 0.890 154 D CB 0.375 41.182 40.800 0.011 0.000 1.201 154 D HN 0.433 nan 8.370 nan 0.000 0.432 155 R N 2.400 122.863 120.500 -0.061 0.000 2.246 155 R HA 0.441 4.781 4.340 0.001 0.000 0.332 155 R C -0.497 175.744 176.300 -0.098 0.000 0.974 155 R CA -0.683 55.376 56.100 -0.067 0.000 0.837 155 R CB 1.180 31.469 30.300 -0.018 0.000 1.145 155 R HN 0.284 nan 8.270 nan 0.000 0.467 156 I N 3.439 123.895 120.570 -0.189 0.000 2.474 156 I HA 0.376 4.547 4.170 0.001 0.000 0.294 156 I C 0.030 176.113 176.117 -0.057 0.000 1.005 156 I CA -0.920 60.270 61.300 -0.182 0.000 1.113 156 I CB 1.694 39.434 38.000 -0.433 0.000 1.289 156 I HN 0.643 nan 8.210 nan 0.000 0.436 157 M N 4.256 123.866 119.600 0.016 0.000 2.423 157 M HA 0.534 5.015 4.480 0.001 0.000 0.335 157 M C -0.494 175.854 176.300 0.080 0.000 1.177 157 M CA 0.075 55.415 55.300 0.066 0.000 1.038 157 M CB 1.905 34.529 32.600 0.040 0.000 1.641 157 M HN 0.772 nan 8.290 nan 0.000 0.455 158 T N 3.691 118.303 114.554 0.097 0.000 2.841 158 T HA 0.719 5.069 4.350 0.001 0.000 0.296 158 T C -1.756 172.993 174.700 0.082 0.000 1.166 158 T CA -0.692 61.462 62.100 0.090 0.000 1.007 158 T CB 1.517 70.464 68.868 0.132 0.000 1.253 158 T HN 0.756 nan 8.240 nan 0.000 0.511 159 I N 0.989 121.601 120.570 0.070 0.000 3.074 159 I HA 0.630 4.801 4.170 0.001 0.000 0.310 159 I C 0.527 176.678 176.117 0.056 0.000 1.153 159 I CA -0.324 61.017 61.300 0.068 0.000 0.993 159 I CB 1.690 39.740 38.000 0.084 0.000 1.237 159 I HN 1.144 nan 8.210 nan 0.000 0.443 160 C N 3.415 122.742 119.300 0.045 0.000 0.168 160 C HA -0.287 4.173 4.460 0.001 0.000 0.017 160 C C 0.236 175.256 174.990 0.050 0.000 0.171 160 C CA 0.975 60.015 59.018 0.037 0.000 0.499 160 C CB -1.322 26.443 27.740 0.041 0.000 3.212 160 C HN 1.068 nan 8.230 nan 0.000 1.118 161 N N 0.227 118.959 118.700 0.054 0.000 2.752 161 N HA 0.570 5.310 4.740 0.001 0.000 0.260 161 N C -0.405 175.147 175.510 0.071 0.000 1.562 161 N CA 0.510 53.602 53.050 0.070 0.000 0.788 161 N CB 0.694 39.231 38.487 0.084 0.000 1.192 161 N HN 1.039 nan 8.380 nan 0.000 0.503 162 A N 1.121 123.969 122.820 0.048 0.000 3.033 162 A HA 0.554 4.874 4.320 0.001 0.000 0.250 162 A C 0.924 178.538 177.584 0.050 0.000 1.633 162 A CA 0.015 52.077 52.037 0.041 0.000 1.290 162 A CB -0.750 18.256 19.000 0.009 0.000 1.048 162 A HN 0.574 nan 8.150 nan 0.000 0.648 163 G N -0.809 108.052 108.800 0.101 0.000 3.099 163 G HA2 0.336 4.296 3.960 0.001 0.000 0.151 163 G HA3 0.336 4.296 3.960 0.001 0.000 0.151 163 G C 1.253 176.283 174.900 0.216 0.000 1.265 163 G CA 0.627 45.825 45.100 0.163 0.000 0.981 163 G HN 0.379 nan 8.290 nan 0.000 0.601 164 S N -0.582 115.293 115.700 0.292 0.000 2.399 164 S HA -0.116 4.355 4.470 0.001 0.000 0.231 164 S C 2.120 176.833 174.600 0.188 0.000 1.022 164 S CA 1.717 60.065 58.200 0.246 0.000 0.983 164 S CB -0.512 62.848 63.200 0.267 0.000 0.803 164 S HN 0.558 nan 8.310 nan 0.000 0.480 165 I N -2.058 118.641 120.570 0.214 0.000 3.928 165 I HA 0.521 4.691 4.170 0.001 0.000 0.335 165 I C 1.476 177.675 176.117 0.137 0.000 1.325 165 I CA 0.323 61.732 61.300 0.182 0.000 1.107 165 I CB -0.012 38.114 38.000 0.210 0.000 1.014 165 I HN 0.244 nan 8.210 nan 0.000 0.400 166 A N 1.160 124.060 122.820 0.133 0.000 2.303 166 A HA 0.318 4.638 4.320 0.001 0.000 0.217 166 A C 1.186 178.832 177.584 0.104 0.000 1.205 166 A CA 0.865 52.966 52.037 0.107 0.000 0.875 166 A CB -0.286 18.773 19.000 0.099 0.000 0.910 166 A HN 0.580 nan 8.150 nan 0.000 0.501 167 T N -5.598 109.025 114.554 0.115 0.000 2.693 167 T HA 0.435 4.786 4.350 0.001 0.000 0.278 167 T C 0.961 175.728 174.700 0.111 0.000 0.994 167 T CA 0.417 62.584 62.100 0.111 0.000 1.033 167 T CB 0.909 69.849 68.868 0.119 0.000 1.342 167 T HN -0.166 nan 8.240 nan 0.000 0.538 168 S N 0.583 116.349 115.700 0.110 0.000 2.368 168 S HA 0.100 4.570 4.470 0.001 0.000 0.225 168 S C 0.776 175.392 174.600 0.028 0.000 1.030 168 S CA 1.260 59.518 58.200 0.097 0.000 0.999 168 S CB -0.621 62.644 63.200 0.108 0.000 0.844 168 S HN 0.854 nan 8.310 nan 0.000 0.459 169 R N -3.821 116.681 120.500 0.003 0.000 2.993 169 R HA 0.289 4.629 4.340 0.001 0.000 0.288 169 R C -0.483 175.793 176.300 -0.040 0.000 0.982 169 R CA -0.561 55.441 56.100 -0.163 0.000 0.832 169 R CB 0.039 30.037 30.300 -0.504 0.000 1.340 169 R HN 0.018 nan 8.270 nan 0.000 0.516 170 Y N -0.893 119.479 120.300 0.119 0.000 2.760 170 Y HA -0.292 4.259 4.550 0.001 0.000 0.484 170 Y C 1.109 177.178 175.900 0.281 0.000 1.172 170 Y CA 2.547 60.797 58.100 0.251 0.000 2.808 170 Y CB -2.091 36.462 38.460 0.155 0.000 0.948 170 Y HN 1.739 nan 8.280 nan 0.000 0.551 171 G N -1.142 107.858 108.800 0.334 0.000 2.631 171 G HA2 0.237 4.198 3.960 0.001 0.000 0.504 171 G HA3 0.237 4.198 3.960 0.001 0.000 0.504 171 G C 0.410 175.398 174.900 0.147 0.000 1.306 171 G CA 0.650 45.883 45.100 0.221 0.000 0.897 171 G HN 1.113 nan 8.290 nan 0.000 0.520 172 T N -3.136 111.457 114.554 0.065 0.000 3.518 172 T HA 0.617 4.967 4.350 0.001 0.000 0.211 172 T C 2.623 177.284 174.700 -0.064 0.000 0.940 172 T CA 2.173 64.282 62.100 0.015 0.000 1.307 172 T CB -0.517 68.357 68.868 0.010 0.000 1.392 172 T HN 2.122 nan 8.240 nan 0.000 0.382 173 A N 0.997 123.758 122.820 -0.099 0.000 1.940 173 A HA 0.134 4.455 4.320 0.001 0.000 0.219 173 A C 2.275 179.558 177.584 -0.502 0.000 1.176 173 A CA 1.435 53.349 52.037 -0.206 0.000 0.631 173 A CB -1.049 17.866 19.000 -0.141 0.000 0.814 173 A HN 0.426 nan 8.150 nan 0.000 0.446 174 L N -0.812 120.168 121.223 -0.405 0.000 2.418 174 L HA 0.122 4.462 4.340 0.001 0.000 0.218 174 L C 2.782 179.391 176.870 -0.435 0.000 1.125 174 L CA 1.122 55.601 54.840 -0.602 0.000 0.835 174 L CB -0.894 41.029 42.059 -0.226 0.000 0.953 174 L HN 0.384 nan 8.230 nan 0.000 0.454 175 A N 0.673 123.411 122.820 -0.137 0.000 1.917 175 A HA -0.167 4.154 4.320 0.001 0.000 0.219 175 A C -0.034 177.565 177.584 0.025 0.000 1.182 175 A CA 1.930 54.015 52.037 0.080 0.000 0.633 175 A CB -1.848 17.214 19.000 0.103 0.000 0.819 175 A HN 0.324 nan 8.150 nan 0.000 0.448 176 P HA -0.126 nan 4.420 nan 0.000 0.218 176 P C 0.948 178.399 177.300 0.251 0.000 1.148 176 P CA 0.932 64.092 63.100 0.101 0.000 0.822 176 P CB -0.160 31.666 31.700 0.209 0.000 0.784 177 F N -2.653 117.232 119.950 -0.108 0.000 2.259 177 F HA -0.077 4.450 4.527 0.001 0.000 0.298 177 F C 2.108 177.740 175.800 -0.280 0.000 1.088 177 F CA 0.352 58.210 58.000 -0.236 0.000 1.358 177 F CB -1.920 36.861 39.000 -0.366 0.000 1.040 177 F HN -0.031 nan 8.300 nan 0.000 0.505 178 Y N -0.430 119.844 120.300 -0.044 0.000 2.314 178 Y HA -0.087 4.463 4.550 0.001 0.000 0.293 178 Y C 2.316 178.142 175.900 -0.124 0.000 1.129 178 Y CA 0.527 58.440 58.100 -0.311 0.000 1.201 178 Y CB -0.816 37.124 38.460 -0.867 0.000 0.999 178 Y HN 0.008 nan 8.280 nan 0.000 0.541 179 L N 0.165 121.475 121.223 0.146 0.000 2.023 179 L HA -0.030 4.310 4.340 0.001 0.000 0.205 179 L C 2.396 179.324 176.870 0.096 0.000 1.073 179 L CA 1.985 56.902 54.840 0.127 0.000 0.745 179 L CB -1.327 40.800 42.059 0.112 0.000 0.900 179 L HN 0.091 nan 8.230 nan 0.000 0.435 180 A N -0.158 122.725 122.820 0.105 0.000 1.884 180 A HA -0.327 3.993 4.320 0.001 0.000 0.219 180 A C 2.461 180.068 177.584 0.039 0.000 1.197 180 A CA 2.384 54.469 52.037 0.079 0.000 0.637 180 A CB -0.907 18.146 19.000 0.088 0.000 0.827 180 A HN 0.512 nan 8.150 nan 0.000 0.450 181 K N -0.799 119.614 120.400 0.022 0.000 2.152 181 K HA -0.242 4.079 4.320 0.001 0.000 0.206 181 K C 2.097 178.719 176.600 0.037 0.000 1.048 181 K CA 2.050 58.341 56.287 0.007 0.000 0.933 181 K CB -0.173 32.324 32.500 -0.006 0.000 0.721 181 K HN 0.512 nan 8.250 nan 0.000 0.447 182 Q N 0.600 120.437 119.800 0.062 0.000 2.291 182 Q HA -0.041 4.299 4.340 0.001 0.000 0.205 182 Q C 0.860 176.890 176.000 0.051 0.000 0.970 182 Q CA 1.396 57.242 55.803 0.072 0.000 0.876 182 Q CB 0.241 29.033 28.738 0.090 0.000 0.935 182 Q HN 0.120 nan 8.270 nan 0.000 0.455 183 K N 0.018 120.443 120.400 0.042 0.000 2.437 183 K HA 0.060 4.380 4.320 0.001 0.000 0.205 183 K C -0.872 175.741 176.600 0.022 0.000 1.026 183 K CA 0.043 56.349 56.287 0.032 0.000 1.153 183 K CB 0.487 33.008 32.500 0.034 0.000 0.863 183 K HN 0.106 nan 8.250 nan 0.000 0.502 184 D N 1.420 121.830 120.400 0.017 0.000 2.890 184 D HA -0.199 4.442 4.640 0.001 0.000 0.226 184 D C -1.019 175.280 176.300 -0.002 0.000 1.207 184 D CA 0.654 54.656 54.000 0.003 0.000 0.764 184 D CB -0.430 40.372 40.800 0.004 0.000 0.948 184 D HN 0.201 nan 8.370 nan 0.000 0.404 185 L N -0.458 120.761 121.223 -0.007 0.000 2.365 185 L HA 0.572 4.912 4.340 0.001 0.000 0.267 185 L C 1.957 178.807 176.870 -0.033 0.000 1.033 185 L CA -0.446 54.389 54.840 -0.008 0.000 0.802 185 L CB 1.136 43.199 42.059 0.007 0.000 1.267 185 L HN 0.265 nan 8.230 nan 0.000 0.457 186 G N 0.884 109.665 108.800 -0.031 0.000 3.124 186 G HA2 0.123 4.084 3.960 0.001 0.000 0.212 186 G HA3 0.123 4.084 3.960 0.001 0.000 0.212 186 G C 0.371 175.228 174.900 -0.072 0.000 1.181 186 G CA -0.323 44.749 45.100 -0.047 0.000 0.803 186 G HN 0.191 nan 8.290 nan 0.000 0.529 187 L N 1.890 123.049 121.223 -0.106 0.000 2.700 187 L HA 0.046 4.386 4.340 0.001 0.000 0.276 187 L C 0.204 176.954 176.870 -0.201 0.000 1.200 187 L CA 0.238 54.962 54.840 -0.193 0.000 0.951 187 L CB -0.262 41.622 42.059 -0.292 0.000 1.226 187 L HN 0.210 nan 8.230 nan 0.000 0.489 188 H N 4.507 123.392 119.070 -0.308 0.000 2.539 188 H HA 0.501 5.057 4.556 0.001 0.000 0.332 188 H C -0.814 174.259 175.328 -0.425 0.000 1.031 188 H CA -1.145 54.706 56.048 -0.329 0.000 1.206 188 H CB 0.835 30.459 29.762 -0.231 0.000 1.446 188 H HN 0.346 nan 8.280 nan 0.000 0.496 189 I N 5.871 126.341 120.570 -0.166 0.000 2.353 189 I HA 0.131 4.302 4.170 0.001 0.000 0.293 189 I C -0.596 175.309 176.117 -0.353 0.000 0.992 189 I CA -0.346 60.755 61.300 -0.331 0.000 1.268 189 I CB 0.605 38.386 38.000 -0.365 0.000 1.387 189 I HN 0.471 nan 8.210 nan 0.000 0.478 190 Y N 5.077 125.280 120.300 -0.162 0.000 2.478 190 Y HA 0.664 5.215 4.550 0.001 0.000 0.329 190 Y C 0.347 176.219 175.900 -0.046 0.000 0.967 190 Y CA -0.730 57.297 58.100 -0.121 0.000 1.255 190 Y CB 1.303 39.655 38.460 -0.179 0.000 1.103 190 Y HN 0.630 nan 8.280 nan 0.000 0.497 191 A N 2.824 125.690 122.820 0.076 0.000 2.274 191 A HA 0.510 4.830 4.320 0.001 0.000 0.309 191 A C -0.510 177.125 177.584 0.084 0.000 1.226 191 A CA -0.534 51.550 52.037 0.078 0.000 0.853 191 A CB 0.048 19.082 19.000 0.057 0.000 1.146 191 A HN 0.836 nan 8.150 nan 0.000 0.518 192 C N 2.608 121.955 119.300 0.077 0.000 2.514 192 C HA 0.207 4.668 4.460 0.001 0.000 0.392 192 C C 2.063 177.083 174.990 0.050 0.000 1.294 192 C CA 0.048 59.104 59.018 0.063 0.000 1.957 192 C CB -0.174 27.602 27.740 0.059 0.000 2.541 192 C HN 1.054 nan 8.230 nan 0.000 0.569 193 E N 1.257 121.483 120.200 0.042 0.000 2.267 193 E HA -0.160 4.190 4.350 0.001 0.000 0.197 193 E C 0.202 176.813 176.600 0.018 0.000 0.998 193 E CA 1.399 57.818 56.400 0.032 0.000 0.830 193 E CB -0.309 29.407 29.700 0.025 0.000 0.751 193 E HN 0.796 nan 8.360 nan 0.000 0.491 194 T N 1.402 115.964 114.554 0.014 0.000 3.460 194 T HA -0.128 4.222 4.350 0.001 0.000 0.416 194 T C -0.180 174.505 174.700 -0.026 0.000 0.766 194 T CA 0.414 62.511 62.100 -0.004 0.000 2.180 194 T CB -0.946 67.920 68.868 -0.003 0.000 1.712 194 T HN 0.262 nan 8.240 nan 0.000 0.723 195 R N 2.119 122.603 120.500 -0.027 0.000 2.707 195 R HA 0.250 4.590 4.340 0.001 0.000 0.270 195 R C -0.949 175.310 176.300 -0.068 0.000 1.083 195 R CA -1.716 54.361 56.100 -0.039 0.000 1.182 195 R CB 0.173 30.456 30.300 -0.029 0.000 1.084 195 R HN 0.294 nan 8.270 nan 0.000 0.528 196 P HA 0.026 nan 4.420 nan 0.000 0.234 196 P C 1.029 178.293 177.300 -0.060 0.000 1.175 196 P CA 0.466 63.528 63.100 -0.064 0.000 0.801 196 P CB 0.404 32.061 31.700 -0.073 0.000 0.891 197 V N 0.614 120.484 119.914 -0.074 0.000 2.871 197 V HA -0.046 4.075 4.120 0.001 0.000 0.256 197 V C 1.478 177.542 176.094 -0.051 0.000 1.082 197 V CA 0.688 62.948 62.300 -0.066 0.000 1.105 197 V CB -1.174 30.600 31.823 -0.083 0.000 0.713 197 V HN 0.037 nan 8.190 nan 0.000 0.473 198 L N -0.609 120.589 121.223 -0.043 0.000 3.608 198 L HA -0.325 4.016 4.340 0.001 0.000 0.422 198 L C 1.416 178.276 176.870 -0.017 0.000 1.260 198 L CA -0.070 54.755 54.840 -0.024 0.000 0.889 198 L CB -1.694 40.352 42.059 -0.021 0.000 1.821 198 L HN 0.332 nan 8.230 nan 0.000 0.884 199 Q N 0.229 120.019 119.800 -0.017 0.000 2.167 199 Q HA -0.064 4.276 4.340 0.001 0.000 0.202 199 Q C 2.212 178.230 176.000 0.030 0.000 0.970 199 Q CA 1.824 57.627 55.803 0.000 0.000 0.855 199 Q CB -0.168 28.571 28.738 0.002 0.000 0.911 199 Q HN 0.683 nan 8.270 nan 0.000 0.438 200 G N 0.131 108.949 108.800 0.029 0.000 2.440 200 G HA2 -0.284 3.677 3.960 0.001 0.000 0.218 200 G HA3 -0.284 3.677 3.960 0.001 0.000 0.218 200 G C 1.544 176.480 174.900 0.060 0.000 1.154 200 G CA 1.309 46.438 45.100 0.048 0.000 0.767 200 G HN 0.512 nan 8.290 nan 0.000 0.552 201 S N -0.823 114.905 115.700 0.046 0.000 2.492 201 S HA 0.218 4.689 4.470 0.001 0.000 0.218 201 S C 2.069 176.706 174.600 0.062 0.000 1.016 201 S CA -0.042 58.191 58.200 0.055 0.000 0.916 201 S CB 0.135 63.357 63.200 0.037 0.000 0.791 201 S HN 0.365 nan 8.310 nan 0.000 0.513 202 R N 0.380 120.901 120.500 0.035 0.000 2.156 202 R HA 0.386 4.727 4.340 0.001 0.000 0.207 202 R C 1.680 177.987 176.300 0.012 0.000 1.040 202 R CA 0.798 56.897 56.100 -0.002 0.000 1.013 202 R CB -0.137 30.131 30.300 -0.053 0.000 0.931 202 R HN 0.392 nan 8.270 nan 0.000 0.465 203 L N -1.455 119.811 121.223 0.072 0.000 2.515 203 L HA 0.155 4.495 4.340 0.001 0.000 0.202 203 L C 1.971 179.015 176.870 0.291 0.000 1.056 203 L CA 0.537 55.471 54.840 0.156 0.000 0.847 203 L CB -0.358 41.751 42.059 0.083 0.000 1.131 203 L HN -0.012 nan 8.230 nan 0.000 0.484 204 T N 0.644 115.309 114.554 0.185 0.000 2.770 204 T HA -0.068 4.283 4.350 0.001 0.000 0.263 204 T C 1.998 176.788 174.700 0.149 0.000 1.039 204 T CA 1.439 63.635 62.100 0.160 0.000 1.142 204 T CB -0.155 68.776 68.868 0.104 0.000 0.868 204 T HN 0.341 nan 8.240 nan 0.000 0.435 205 A N 0.390 123.293 122.820 0.137 0.000 1.972 205 A HA -0.097 4.224 4.320 0.001 0.000 0.219 205 A C 2.023 179.696 177.584 0.148 0.000 1.169 205 A CA 1.475 53.574 52.037 0.105 0.000 0.635 205 A CB -1.041 18.013 19.000 0.089 0.000 0.810 205 A HN 0.715 nan 8.150 nan 0.000 0.446 206 W N 1.577 122.892 121.300 0.026 0.000 2.353 206 W HA -0.246 4.415 4.660 0.001 0.000 0.319 206 W C 2.274 178.830 176.519 0.061 0.000 1.207 206 W CA 2.231 59.596 57.345 0.034 0.000 1.291 206 W CB -0.322 29.156 29.460 0.030 0.000 1.159 206 W HN 0.563 nan 8.180 nan 0.000 0.478 207 E N -0.041 120.174 120.200 0.026 0.000 2.150 207 E HA -0.217 4.134 4.350 0.001 0.000 0.193 207 E C 2.147 178.700 176.600 -0.078 0.000 0.985 207 E CA 1.547 57.796 56.400 -0.252 0.000 0.814 207 E CB -0.985 28.799 29.700 0.140 0.000 0.752 207 E HN 0.384 nan 8.360 nan 0.000 0.466 208 L N -0.092 121.117 121.223 -0.023 0.000 2.083 208 L HA -0.111 4.229 4.340 0.001 0.000 0.209 208 L C 2.738 179.555 176.870 -0.089 0.000 1.083 208 L CA 1.247 56.039 54.840 -0.079 0.000 0.752 208 L CB -0.324 41.689 42.059 -0.077 0.000 0.899 208 L HN 0.280 nan 8.230 nan 0.000 0.433 209 M N -0.637 118.902 119.600 -0.103 0.000 2.132 209 M HA -0.221 4.259 4.480 0.001 0.000 0.263 209 M C 2.346 178.569 176.300 -0.129 0.000 1.065 209 M CA 1.736 56.972 55.300 -0.107 0.000 1.122 209 M CB -0.066 32.483 32.600 -0.085 0.000 1.365 209 M HN 0.178 nan 8.290 nan 0.000 0.411 210 Q N -0.931 118.736 119.800 -0.221 0.000 2.096 210 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 210 Q C 1.977 177.937 176.000 -0.067 0.000 0.982 210 Q CA 1.465 57.145 55.803 -0.204 0.000 0.850 210 Q CB -0.600 27.918 28.738 -0.367 0.000 0.901 210 Q HN 0.699 nan 8.270 nan 0.000 0.422 211 G N -0.141 108.668 108.800 0.015 0.000 2.509 211 G HA2 0.038 3.999 3.960 0.001 0.000 0.218 211 G HA3 0.038 3.999 3.960 0.001 0.000 0.218 211 G C 0.919 175.852 174.900 0.055 0.000 1.124 211 G CA 0.486 45.668 45.100 0.137 0.000 0.776 211 G HN 0.532 nan 8.290 nan 0.000 0.547 212 G N -0.558 108.232 108.800 -0.017 0.000 2.149 212 G HA2 -0.249 3.712 3.960 0.001 0.000 0.235 212 G HA3 -0.249 3.712 3.960 0.001 0.000 0.235 212 G C 0.177 175.034 174.900 -0.071 0.000 1.018 212 G CA 0.073 45.149 45.100 -0.040 0.000 0.728 212 G HN 0.483 nan 8.290 nan 0.000 0.508 213 I N 1.289 121.798 120.570 -0.101 0.000 2.365 213 I HA 0.223 4.394 4.170 0.001 0.000 0.291 213 I C -0.139 175.870 176.117 -0.180 0.000 1.004 213 I CA -0.810 60.397 61.300 -0.155 0.000 1.311 213 I CB 0.917 38.790 38.000 -0.213 0.000 1.401 213 I HN -0.002 nan 8.210 nan 0.000 0.491 214 D N 6.725 126.992 120.400 -0.223 0.000 2.363 214 D HA 0.130 4.771 4.640 0.001 0.000 0.263 214 D C -0.319 175.811 176.300 -0.284 0.000 1.258 214 D CA 0.423 54.242 54.000 -0.303 0.000 0.907 214 D CB 1.473 42.026 40.800 -0.411 0.000 1.107 214 D HN 0.127 nan 8.370 nan 0.000 0.495 215 V N 2.345 122.123 119.914 -0.227 0.000 3.040 215 V HA 0.587 4.707 4.120 0.001 0.000 0.312 215 V C -0.841 175.176 176.094 -0.128 0.000 1.115 215 V CA -0.242 61.965 62.300 -0.155 0.000 0.998 215 V CB 2.710 34.465 31.823 -0.113 0.000 1.042 215 V HN 0.529 nan 8.190 nan 0.000 0.433 216 T N 5.668 120.134 114.554 -0.148 0.000 2.921 216 T HA 0.514 4.864 4.350 0.001 0.000 0.297 216 T C -1.170 173.512 174.700 -0.030 0.000 1.013 216 T CA -0.280 61.762 62.100 -0.097 0.000 0.990 216 T CB 1.393 70.163 68.868 -0.163 0.000 1.023 216 T HN 0.680 nan 8.240 nan 0.000 0.447 217 L N 4.907 126.147 121.223 0.027 0.000 2.357 217 L HA 0.826 5.166 4.340 0.001 0.000 0.273 217 L C -0.645 176.279 176.870 0.090 0.000 1.080 217 L CA -0.342 54.532 54.840 0.057 0.000 0.803 217 L CB 0.427 42.513 42.059 0.045 0.000 1.174 217 L HN 0.735 nan 8.230 nan 0.000 0.443 218 I N -0.851 119.774 120.570 0.091 0.000 3.093 218 I HA 0.593 4.763 4.170 0.001 0.000 0.308 218 I C -0.267 175.885 176.117 0.058 0.000 1.303 218 I CA -0.755 60.595 61.300 0.085 0.000 0.975 218 I CB 1.976 40.038 38.000 0.103 0.000 1.286 218 I HN 0.637 nan 8.210 nan 0.000 0.459 219 T N -1.812 112.769 114.554 0.044 0.000 2.816 219 T HA 0.259 4.610 4.350 0.001 0.000 0.282 219 T C 0.452 175.171 174.700 0.032 0.000 0.993 219 T CA -0.282 61.837 62.100 0.032 0.000 0.994 219 T CB 1.006 69.887 68.868 0.022 0.000 1.025 219 T HN 0.649 nan 8.240 nan 0.000 0.529 220 D N 0.773 121.188 120.400 0.025 0.000 2.178 220 D HA -0.107 4.533 4.640 0.001 0.000 0.202 220 D C 2.350 178.666 176.300 0.025 0.000 0.974 220 D CA 1.651 55.667 54.000 0.027 0.000 0.841 220 D CB -0.492 40.320 40.800 0.019 0.000 0.953 220 D HN 0.732 nan 8.370 nan 0.000 0.478 221 S N 0.146 115.858 115.700 0.020 0.000 2.474 221 S HA -0.093 4.378 4.470 0.001 0.000 0.235 221 S C 1.919 176.535 174.600 0.027 0.000 0.997 221 S CA 0.478 58.689 58.200 0.019 0.000 0.949 221 S CB -0.331 62.874 63.200 0.010 0.000 0.766 221 S HN 0.174 nan 8.310 nan 0.000 0.517 222 M N 1.021 120.639 119.600 0.030 0.000 2.506 222 M HA 0.241 4.721 4.480 0.001 0.000 0.260 222 M C 2.508 178.825 176.300 0.028 0.000 1.104 222 M CA 0.653 55.979 55.300 0.043 0.000 1.112 222 M CB -0.508 32.119 32.600 0.044 0.000 1.401 222 M HN 0.493 nan 8.290 nan 0.000 0.473 223 A N 1.261 124.092 122.820 0.017 0.000 1.894 223 A HA -0.291 4.029 4.320 0.001 0.000 0.220 223 A C 2.389 179.958 177.584 -0.025 0.000 1.237 223 A CA 2.613 54.647 52.037 -0.006 0.000 0.660 223 A CB -1.201 17.817 19.000 0.030 0.000 0.835 223 A HN 0.514 nan 8.150 nan 0.000 0.461 224 A N -1.974 120.881 122.820 0.059 0.000 1.877 224 A HA -0.239 4.082 4.320 0.001 0.000 0.216 224 A C 2.157 179.756 177.584 0.025 0.000 1.186 224 A CA 1.835 53.958 52.037 0.142 0.000 0.620 224 A CB -0.997 18.151 19.000 0.247 0.000 0.822 224 A HN 0.808 nan 8.150 nan 0.000 0.443 225 H N -0.594 118.449 119.070 -0.045 0.000 2.457 225 H HA -0.082 4.475 4.556 0.001 0.000 0.294 225 H C 1.817 177.036 175.328 -0.182 0.000 1.064 225 H CA 1.738 57.739 56.048 -0.078 0.000 1.330 225 H CB 0.220 29.954 29.762 -0.047 0.000 1.395 225 H HN 0.471 nan 8.280 nan 0.000 0.541 226 T N 0.797 115.190 114.554 -0.269 0.000 2.770 226 T HA -0.078 4.272 4.350 0.001 0.000 0.258 226 T C 2.290 176.677 174.700 -0.521 0.000 1.039 226 T CA 1.084 62.926 62.100 -0.428 0.000 1.143 226 T CB -0.161 68.468 68.868 -0.399 0.000 0.866 226 T HN 0.292 nan 8.240 nan 0.000 0.428 227 M N 1.064 120.361 119.600 -0.506 0.000 2.192 227 M HA -0.168 4.313 4.480 0.001 0.000 0.259 227 M C 2.376 178.226 176.300 -0.750 0.000 1.071 227 M CA 1.627 56.560 55.300 -0.612 0.000 1.082 227 M CB -0.394 31.782 32.600 -0.708 0.000 1.373 227 M HN 0.159 nan 8.290 nan 0.000 0.408 228 K N 0.237 120.146 120.400 -0.818 0.000 2.063 228 K HA -0.089 4.231 4.320 0.001 0.000 0.204 228 K C 1.798 178.171 176.600 -0.378 0.000 1.039 228 K CA 0.869 56.805 56.287 -0.584 0.000 0.957 228 K CB 0.146 32.420 32.500 -0.378 0.000 0.764 228 K HN 0.122 nan 8.250 nan 0.000 0.447 229 E N 0.935 120.866 120.200 -0.449 0.000 2.150 229 E HA -0.109 4.242 4.350 0.001 0.000 0.193 229 E C 1.520 177.939 176.600 -0.302 0.000 0.985 229 E CA 0.954 57.123 56.400 -0.384 0.000 0.814 229 E CB 0.171 29.529 29.700 -0.570 0.000 0.752 229 E HN 0.193 nan 8.360 nan 0.000 0.466 230 K N 0.580 120.756 120.400 -0.373 0.000 2.374 230 K HA 0.089 4.409 4.320 0.001 0.000 0.196 230 K C -0.162 176.274 176.600 -0.273 0.000 1.023 230 K CA -0.067 56.019 56.287 -0.336 0.000 1.103 230 K CB 0.432 32.588 32.500 -0.572 0.000 0.848 230 K HN 0.168 nan 8.250 nan 0.000 0.528 231 Q N 1.489 121.127 119.800 -0.270 0.000 2.434 231 Q HA -0.185 4.156 4.340 0.001 0.000 0.366 231 Q C -0.366 175.527 176.000 -0.178 0.000 1.398 231 Q CA 0.366 56.048 55.803 -0.201 0.000 1.074 231 Q CB -1.282 27.385 28.738 -0.118 0.000 1.236 231 Q HN 0.203 nan 8.270 nan 0.000 0.329 232 I N 0.941 121.372 120.570 -0.232 0.000 2.683 232 I HA -0.077 4.094 4.170 0.001 0.000 0.286 232 I C 1.633 177.712 176.117 -0.063 0.000 1.175 232 I CA 0.749 61.950 61.300 -0.164 0.000 1.429 232 I CB 1.224 39.111 38.000 -0.189 0.000 1.371 232 I HN 0.404 nan 8.210 nan 0.000 0.569 233 S N 4.537 120.229 115.700 -0.014 0.000 2.395 233 S HA 0.198 4.669 4.470 0.001 0.000 0.225 233 S C 0.732 175.411 174.600 0.131 0.000 1.027 233 S CA 0.801 59.036 58.200 0.059 0.000 0.965 233 S CB 0.247 63.493 63.200 0.078 0.000 0.812 233 S HN 0.858 nan 8.310 nan 0.000 0.482 234 A N 0.009 122.907 122.820 0.129 0.000 2.586 234 A HA 0.668 4.989 4.320 0.001 0.000 0.290 234 A C -1.744 175.930 177.584 0.150 0.000 1.086 234 A CA -0.572 51.599 52.037 0.223 0.000 0.665 234 A CB 0.990 20.318 19.000 0.546 0.000 1.279 234 A HN 0.038 nan 8.150 nan 0.000 0.423 235 V N 1.249 121.248 119.914 0.143 0.000 2.531 235 V HA 0.650 4.770 4.120 0.001 0.000 0.301 235 V C -0.645 175.412 176.094 -0.062 0.000 1.034 235 V CA -0.294 62.024 62.300 0.030 0.000 0.865 235 V CB 1.463 33.317 31.823 0.052 0.000 0.995 235 V HN 0.800 nan 8.190 nan 0.000 0.424 236 I N 6.356 126.920 120.570 -0.010 0.000 2.533 236 I HA 0.828 4.999 4.170 0.001 0.000 0.290 236 I C -1.060 175.005 176.117 -0.087 0.000 1.056 236 I CA -0.605 60.697 61.300 0.003 0.000 1.057 236 I CB 1.954 40.097 38.000 0.238 0.000 1.240 236 I HN 0.561 nan 8.210 nan 0.000 0.423 237 V N 3.585 123.412 119.914 -0.145 0.000 3.159 237 V HA 0.901 5.021 4.120 0.001 0.000 0.308 237 V C 0.156 176.226 176.094 -0.040 0.000 1.190 237 V CA -0.208 62.047 62.300 -0.075 0.000 1.037 237 V CB 1.019 32.812 31.823 -0.050 0.000 1.060 237 V HN 0.778 nan 8.190 nan 0.000 0.437 238 G N 0.145 108.939 108.800 -0.009 0.000 2.504 238 G HA2 0.858 4.818 3.960 0.001 0.000 0.257 238 G HA3 0.858 4.818 3.960 0.001 0.000 0.257 238 G C -0.156 174.742 174.900 -0.002 0.000 1.451 238 G CA -0.219 44.877 45.100 -0.007 0.000 1.059 238 G HN 2.063 nan 8.290 nan 0.000 0.550 239 A N -2.113 120.698 122.820 -0.016 0.000 2.594 239 A HA 0.579 4.899 4.320 0.001 0.000 0.296 239 A C -0.266 177.283 177.584 -0.058 0.000 1.061 239 A CA -0.191 51.821 52.037 -0.041 0.000 0.689 239 A CB 1.407 20.332 19.000 -0.124 0.000 1.280 239 A HN 0.414 nan 8.150 nan 0.000 0.406 240 D N -0.112 120.240 120.400 -0.080 0.000 2.324 240 D HA 0.201 4.841 4.640 0.001 0.000 0.212 240 D C 0.549 176.731 176.300 -0.197 0.000 0.984 240 D CA 0.988 54.895 54.000 -0.154 0.000 0.885 240 D CB 0.338 40.941 40.800 -0.329 0.000 0.996 240 D HN 0.495 nan 8.370 nan 0.000 0.505 241 R N 0.207 120.586 120.500 -0.201 0.000 2.647 241 R HA 0.336 4.676 4.340 0.001 0.000 0.260 241 R C -1.941 174.234 176.300 -0.209 0.000 1.154 241 R CA -0.427 55.555 56.100 -0.196 0.000 1.029 241 R CB 0.656 30.849 30.300 -0.177 0.000 1.262 241 R HN -0.083 nan 8.270 nan 0.000 0.437 242 I N 3.913 124.319 120.570 -0.272 0.000 2.355 242 I HA 0.411 4.582 4.170 0.001 0.000 0.288 242 I C 0.590 176.626 176.117 -0.135 0.000 0.999 242 I CA -0.797 60.321 61.300 -0.304 0.000 1.163 242 I CB 1.821 39.383 38.000 -0.730 0.000 1.316 242 I HN 0.692 nan 8.210 nan 0.000 0.454 243 A N 5.289 128.070 122.820 -0.065 0.000 2.366 243 A HA 0.164 4.484 4.320 0.001 0.000 0.249 243 A C 1.373 178.996 177.584 0.065 0.000 1.084 243 A CA -0.291 51.744 52.037 -0.002 0.000 0.794 243 A CB 0.421 19.422 19.000 0.002 0.000 1.034 243 A HN 0.889 nan 8.150 nan 0.000 0.491 244 K N 0.781 121.226 120.400 0.073 0.000 2.211 244 K HA -0.229 4.092 4.320 0.001 0.000 0.204 244 K C 1.305 177.973 176.600 0.113 0.000 1.047 244 K CA 2.434 58.791 56.287 0.116 0.000 0.935 244 K CB -0.468 32.071 32.500 0.065 0.000 0.728 244 K HN 0.897 nan 8.250 nan 0.000 0.452 245 N N -1.920 116.825 118.700 0.074 0.000 2.494 245 N HA 0.002 4.743 4.740 0.001 0.000 0.182 245 N C 1.213 176.751 175.510 0.046 0.000 1.076 245 N CA 0.733 53.805 53.050 0.038 0.000 0.908 245 N CB 0.456 38.977 38.487 0.057 0.000 0.967 245 N HN 0.293 nan 8.380 nan 0.000 0.449 246 G N -0.210 108.648 108.800 0.097 0.000 2.278 246 G HA2 -0.225 3.736 3.960 0.001 0.000 0.210 246 G HA3 -0.225 3.736 3.960 0.001 0.000 0.210 246 G C -0.694 174.220 174.900 0.024 0.000 1.000 246 G CA -0.033 45.096 45.100 0.049 0.000 0.635 246 G HN 0.380 nan 8.290 nan 0.000 0.495 247 D N 2.243 122.709 120.400 0.111 0.000 2.525 247 D HA 0.417 5.058 4.640 0.001 0.000 0.235 247 D C 0.914 177.188 176.300 -0.043 0.000 1.137 247 D CA 1.658 55.684 54.000 0.043 0.000 0.868 247 D CB 1.012 41.832 40.800 0.032 0.000 1.180 247 D HN 0.638 nan 8.370 nan 0.000 0.465 248 T N -1.741 112.778 114.554 -0.057 0.000 2.861 248 T HA 0.694 5.045 4.350 0.001 0.000 0.287 248 T C -0.438 174.230 174.700 -0.053 0.000 1.003 248 T CA -1.127 60.924 62.100 -0.082 0.000 0.977 248 T CB 1.824 70.644 68.868 -0.081 0.000 0.996 248 T HN 0.323 nan 8.240 nan 0.000 0.448 249 A N 3.005 125.778 122.820 -0.077 0.000 2.290 249 A HA 0.803 5.123 4.320 0.001 0.000 0.310 249 A C -0.024 177.559 177.584 -0.003 0.000 1.202 249 A CA -0.641 51.364 52.037 -0.054 0.000 0.837 249 A CB 0.293 19.208 19.000 -0.141 0.000 1.139 249 A HN 0.962 nan 8.150 nan 0.000 0.509 250 N N 0.439 119.228 118.700 0.148 0.000 2.934 250 N HA 0.362 5.102 4.740 0.001 0.000 0.253 250 N C -0.978 174.794 175.510 0.437 0.000 1.466 250 N CA -0.729 52.474 53.050 0.255 0.000 0.858 250 N CB 1.051 39.637 38.487 0.164 0.000 1.459 250 N HN 0.491 nan 8.380 nan 0.000 0.532 251 K N 1.124 121.720 120.400 0.327 0.000 2.548 251 K HA -0.006 4.315 4.320 0.001 0.000 0.277 251 K C -0.210 176.394 176.600 0.007 0.000 1.001 251 K CA 0.079 56.383 56.287 0.029 0.000 1.102 251 K CB -0.361 32.136 32.500 -0.006 0.000 0.848 251 K HN 0.514 nan 8.250 nan 0.000 0.487 252 I N 4.112 124.596 120.570 -0.144 0.000 2.919 252 I HA 0.101 4.271 4.170 0.001 0.000 0.303 252 I C 1.364 177.475 176.117 -0.011 0.000 1.221 252 I CA 2.388 63.648 61.300 -0.066 0.000 1.444 252 I CB 0.126 38.030 38.000 -0.160 0.000 1.331 252 I HN 0.879 nan 8.210 nan 0.000 0.572 253 G N 3.541 112.370 108.800 0.047 0.000 2.313 253 G HA2 -0.319 3.642 3.960 0.001 0.000 0.215 253 G HA3 -0.319 3.642 3.960 0.001 0.000 0.215 253 G C 0.986 175.950 174.900 0.107 0.000 1.023 253 G CA 0.330 45.464 45.100 0.056 0.000 0.626 253 G HN 0.660 nan 8.290 nan 0.000 0.503 254 T N 0.557 115.201 114.554 0.150 0.000 2.665 254 T HA -0.209 4.142 4.350 0.001 0.000 0.268 254 T C 1.813 176.644 174.700 0.219 0.000 1.035 254 T CA 2.090 64.330 62.100 0.233 0.000 1.151 254 T CB -0.353 68.670 68.868 0.258 0.000 0.862 254 T HN 0.567 nan 8.240 nan 0.000 0.438 255 Y N 2.191 122.507 120.300 0.027 0.000 2.207 255 Y HA -0.073 4.477 4.550 0.001 0.000 0.287 255 Y C 2.474 178.326 175.900 -0.080 0.000 1.156 255 Y CA 0.963 59.030 58.100 -0.055 0.000 1.182 255 Y CB -1.025 37.421 38.460 -0.024 0.000 0.979 255 Y HN 0.175 nan 8.280 nan 0.000 0.521 256 G N 0.133 108.878 108.800 -0.091 0.000 2.408 256 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 256 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 256 G C 1.779 176.612 174.900 -0.112 0.000 1.150 256 G CA 0.965 45.955 45.100 -0.183 0.000 0.776 256 G HN 0.460 nan 8.290 nan 0.000 0.542 257 L N 0.456 121.680 121.223 0.002 0.000 2.093 257 L HA -0.008 4.332 4.340 0.001 0.000 0.208 257 L C 3.384 180.240 176.870 -0.023 0.000 1.085 257 L CA 0.915 55.813 54.840 0.097 0.000 0.755 257 L CB -0.387 41.846 42.059 0.289 0.000 0.904 257 L HN 0.321 nan 8.230 nan 0.000 0.435 258 A N 0.401 122.971 122.820 -0.417 0.000 1.933 258 A HA -0.168 4.153 4.320 0.001 0.000 0.218 258 A C 2.174 179.493 177.584 -0.442 0.000 1.175 258 A CA 1.364 52.781 52.037 -1.034 0.000 0.628 258 A CB -0.556 17.609 19.000 -1.392 0.000 0.814 258 A HN 0.347 nan 8.150 nan 0.000 0.444 259 I N -0.477 119.890 120.570 -0.338 0.000 2.252 259 I HA -0.248 3.923 4.170 0.001 0.000 0.245 259 I C 2.381 178.406 176.117 -0.154 0.000 1.102 259 I CA 1.041 62.184 61.300 -0.261 0.000 1.385 259 I CB -0.349 37.440 38.000 -0.352 0.000 1.064 259 I HN 0.289 nan 8.210 nan 0.000 0.414 260 L N 0.572 121.742 121.223 -0.089 0.000 2.017 260 L HA -0.187 4.154 4.340 0.001 0.000 0.208 260 L C 2.922 179.874 176.870 0.138 0.000 1.073 260 L CA 1.371 56.233 54.840 0.037 0.000 0.745 260 L CB -0.806 41.330 42.059 0.129 0.000 0.894 260 L HN 0.224 nan 8.230 nan 0.000 0.432 261 A N 0.256 123.153 122.820 0.127 0.000 1.927 261 A HA -0.304 4.016 4.320 0.001 0.000 0.220 261 A C 2.143 179.797 177.584 0.118 0.000 1.185 261 A CA 2.369 54.513 52.037 0.177 0.000 0.639 261 A CB -0.901 18.245 19.000 0.245 0.000 0.820 261 A HN 0.589 nan 8.150 nan 0.000 0.451 262 N N -0.024 118.685 118.700 0.014 0.000 2.457 262 N HA 0.024 4.765 4.740 0.001 0.000 0.180 262 N C 1.645 177.129 175.510 -0.044 0.000 1.050 262 N CA 1.047 54.087 53.050 -0.017 0.000 0.906 262 N CB -0.133 38.315 38.487 -0.064 0.000 0.968 262 N HN 0.390 nan 8.380 nan 0.000 0.445 263 A N -0.363 122.404 122.820 -0.088 0.000 2.021 263 A HA 0.093 4.414 4.320 0.001 0.000 0.216 263 A C 1.089 178.496 177.584 -0.295 0.000 1.163 263 A CA 0.493 52.389 52.037 -0.235 0.000 0.676 263 A CB -0.377 18.398 19.000 -0.376 0.000 0.818 263 A HN 0.261 nan 8.150 nan 0.000 0.453 264 F N -0.344 119.591 119.950 -0.025 0.000 2.664 264 F HA 0.224 4.752 4.527 0.001 0.000 0.303 264 F C 0.022 175.816 175.800 -0.010 0.000 1.092 264 F CA -0.065 57.923 58.000 -0.020 0.000 1.305 264 F CB -0.049 38.937 39.000 -0.023 0.000 1.054 264 F HN 0.205 nan 8.300 nan 0.000 0.565 265 D N 0.752 121.231 120.400 0.131 0.000 2.800 265 D HA -0.204 4.437 4.640 0.001 0.000 0.232 265 D C -0.330 176.029 176.300 0.098 0.000 1.137 265 D CA 0.523 54.576 54.000 0.089 0.000 0.718 265 D CB -1.154 39.689 40.800 0.071 0.000 1.084 265 D HN 0.208 nan 8.370 nan 0.000 0.432 266 I N 0.239 120.881 120.570 0.119 0.000 2.359 266 I HA 0.330 4.501 4.170 0.001 0.000 0.294 266 I C -1.908 174.251 176.117 0.069 0.000 0.987 266 I CA -2.144 59.216 61.300 0.100 0.000 1.225 266 I CB 1.293 39.357 38.000 0.106 0.000 1.366 266 I HN -0.238 nan 8.210 nan 0.000 0.466 267 P HA -0.000 nan 4.420 nan 0.000 0.265 267 P C -0.994 176.143 177.300 -0.272 0.000 1.193 267 P CA 0.150 63.135 63.100 -0.191 0.000 0.765 267 P CB 0.254 31.837 31.700 -0.195 0.000 0.823 268 F N 4.494 124.140 119.950 -0.507 0.000 2.403 268 F HA 0.510 5.038 4.527 0.001 0.000 0.355 268 F C -1.159 174.385 175.800 -0.425 0.000 1.119 268 F CA -0.694 57.120 58.000 -0.310 0.000 1.007 268 F CB 0.355 39.285 39.000 -0.118 0.000 1.194 268 F HN 0.108 nan 8.300 nan 0.000 0.443 269 F N 5.043 124.838 119.950 -0.258 0.000 2.469 269 F HA 0.645 5.172 4.527 0.001 0.000 0.332 269 F C -0.551 175.100 175.800 -0.248 0.000 1.103 269 F CA -1.227 56.694 58.000 -0.131 0.000 0.979 269 F CB 1.736 40.736 39.000 0.001 0.000 1.137 269 F HN 0.018 nan 8.300 nan 0.000 0.463 270 V N 2.630 122.603 119.914 0.098 0.000 2.448 270 V HA 0.779 4.900 4.120 0.001 0.000 0.295 270 V C -0.385 175.732 176.094 0.037 0.000 1.025 270 V CA -0.894 61.415 62.300 0.016 0.000 0.859 270 V CB 1.409 33.236 31.823 0.006 0.000 0.988 270 V HN 0.889 nan 8.190 nan 0.000 0.431 271 A N 4.146 126.970 122.820 0.007 0.000 2.287 271 A HA 0.992 5.313 4.320 0.001 0.000 0.317 271 A C -0.140 177.440 177.584 -0.007 0.000 1.220 271 A CA -0.034 52.007 52.037 0.006 0.000 0.835 271 A CB 1.219 20.212 19.000 -0.012 0.000 1.180 271 A HN 1.586 nan 8.150 nan 0.000 0.500 272 A N 3.653 126.484 122.820 0.018 0.000 2.605 272 A HA 0.890 5.211 4.320 0.001 0.000 0.294 272 A C -3.339 174.310 177.584 0.109 0.000 1.062 272 A CA -1.222 50.825 52.037 0.016 0.000 0.682 272 A CB 1.438 20.390 19.000 -0.080 0.000 1.278 272 A HN 0.559 nan 8.150 nan 0.000 0.410 273 P HA 0.324 nan 4.420 nan 0.000 0.279 273 P C 0.391 177.787 177.300 0.159 0.000 1.252 273 P CA -0.354 62.781 63.100 0.058 0.000 0.811 273 P CB 0.827 32.507 31.700 -0.033 0.000 1.035 274 L N 2.047 123.300 121.223 0.050 0.000 2.189 274 L HA -0.203 4.138 4.340 0.001 0.000 0.214 274 L C 2.508 179.477 176.870 0.167 0.000 1.097 274 L CA 2.333 57.212 54.840 0.065 0.000 0.764 274 L CB -1.941 39.970 42.059 -0.247 0.000 0.900 274 L HN 0.483 nan 8.230 nan 0.000 0.436 275 S N -3.325 112.223 115.700 -0.254 0.000 2.515 275 S HA -0.094 4.377 4.470 0.001 0.000 0.231 275 S C 1.658 175.947 174.600 -0.519 0.000 0.987 275 S CA 1.183 58.845 58.200 -0.897 0.000 0.936 275 S CB -0.509 61.666 63.200 -1.709 0.000 0.766 275 S HN 0.430 nan 8.310 nan 0.000 0.528 276 T N 1.220 115.693 114.554 -0.135 0.000 3.081 276 T HA 0.354 4.705 4.350 0.001 0.000 0.250 276 T C -0.004 174.644 174.700 -0.087 0.000 1.100 276 T CA -0.145 61.884 62.100 -0.119 0.000 1.038 276 T CB -0.248 68.537 68.868 -0.139 0.000 0.962 276 T HN 0.382 nan 8.240 nan 0.000 0.516 277 F N 2.038 121.951 119.950 -0.061 0.000 2.389 277 F HA 0.402 4.929 4.527 0.001 0.000 0.337 277 F C 0.645 176.355 175.800 -0.149 0.000 1.112 277 F CA -0.905 57.078 58.000 -0.028 0.000 1.192 277 F CB 0.654 39.767 39.000 0.187 0.000 1.185 277 F HN -0.116 nan 8.300 nan 0.000 0.552 278 D N 1.057 121.470 120.400 0.022 0.000 2.420 278 D HA 0.093 4.734 4.640 0.001 0.000 0.255 278 D C 0.722 176.981 176.300 -0.069 0.000 1.185 278 D CA -0.275 53.692 54.000 -0.056 0.000 0.904 278 D CB 1.090 41.860 40.800 -0.051 0.000 1.102 278 D HN 0.612 nan 8.370 nan 0.000 0.534 279 T N 0.543 114.998 114.554 -0.166 0.000 3.118 279 T HA -0.102 4.248 4.350 0.001 0.000 0.260 279 T C 1.515 176.168 174.700 -0.078 0.000 1.139 279 T CA 0.685 62.702 62.100 -0.139 0.000 1.085 279 T CB 0.010 68.720 68.868 -0.263 0.000 0.934 279 T HN 0.441 nan 8.240 nan 0.000 0.518 280 K N 0.695 121.054 120.400 -0.068 0.000 2.137 280 K HA 0.161 4.481 4.320 0.001 0.000 0.202 280 K C 0.742 177.327 176.600 -0.025 0.000 1.052 280 K CA 0.203 56.466 56.287 -0.040 0.000 0.961 280 K CB -0.283 32.197 32.500 -0.034 0.000 0.741 280 K HN 0.282 nan 8.250 nan 0.000 0.452 281 V N 3.143 123.042 119.914 -0.025 0.000 2.461 281 V HA 0.060 4.180 4.120 0.001 0.000 0.275 281 V C 0.452 176.543 176.094 -0.006 0.000 1.047 281 V CA -0.429 61.861 62.300 -0.017 0.000 0.955 281 V CB 1.416 33.224 31.823 -0.025 0.000 0.988 281 V HN 0.299 nan 8.190 nan 0.000 0.471 282 K N 4.535 124.936 120.400 0.001 0.000 2.228 282 K HA 0.087 4.407 4.320 0.001 0.000 0.202 282 K C 0.444 177.058 176.600 0.025 0.000 1.051 282 K CA 0.935 57.230 56.287 0.013 0.000 0.960 282 K CB -0.611 31.898 32.500 0.014 0.000 0.743 282 K HN 0.866 nan 8.250 nan 0.000 0.458 283 C N -4.750 114.560 119.300 0.017 0.000 3.318 283 C HA 0.697 5.157 4.460 0.001 0.000 0.322 283 C C 1.816 176.806 174.990 -0.000 0.000 1.398 283 C CA -0.647 58.386 59.018 0.026 0.000 1.339 283 C CB 1.079 28.839 27.740 0.033 0.000 1.668 283 C HN 0.287 nan 8.230 nan 0.000 0.462 284 G N 0.430 109.225 108.800 -0.008 0.000 2.442 284 G HA2 0.085 4.046 3.960 0.001 0.000 0.219 284 G HA3 0.085 4.046 3.960 0.001 0.000 0.219 284 G C 1.565 176.438 174.900 -0.046 0.000 1.141 284 G CA 1.397 46.471 45.100 -0.043 0.000 0.763 284 G HN 1.699 nan 8.290 nan 0.000 0.554 285 A N 0.630 123.429 122.820 -0.035 0.000 2.125 285 A HA 0.014 4.335 4.320 0.001 0.000 0.219 285 A C 1.801 179.374 177.584 -0.018 0.000 1.156 285 A CA 1.933 53.953 52.037 -0.028 0.000 0.671 285 A CB -0.205 18.783 19.000 -0.020 0.000 0.794 285 A HN 0.308 nan 8.150 nan 0.000 0.459 286 D N -0.715 119.674 120.400 -0.018 0.000 2.350 286 D HA 0.169 4.810 4.640 0.001 0.000 0.213 286 D C 0.202 176.488 176.300 -0.023 0.000 1.031 286 D CA 0.117 54.108 54.000 -0.015 0.000 0.861 286 D CB 0.032 40.825 40.800 -0.011 0.000 0.926 286 D HN 0.456 nan 8.370 nan 0.000 0.520 287 I N 3.574 124.123 120.570 -0.035 0.000 2.363 287 I HA 0.126 4.297 4.170 0.001 0.000 0.292 287 I C -1.912 174.179 176.117 -0.043 0.000 1.075 287 I CA -1.819 59.451 61.300 -0.051 0.000 1.333 287 I CB 0.493 38.447 38.000 -0.076 0.000 1.415 287 I HN -0.222 nan 8.210 nan 0.000 0.502 288 P HA 0.056 nan 4.420 nan 0.000 0.264 288 P C -0.674 176.609 177.300 -0.027 0.000 1.193 288 P CA 0.114 63.201 63.100 -0.022 0.000 0.763 288 P CB 0.791 32.478 31.700 -0.020 0.000 0.810 289 I N 2.649 123.231 120.570 0.020 0.000 2.328 289 I HA 0.226 4.396 4.170 0.001 0.000 0.287 289 I C 1.070 177.255 176.117 0.114 0.000 1.012 289 I CA -0.801 60.542 61.300 0.072 0.000 1.195 289 I CB 0.467 38.524 38.000 0.094 0.000 1.350 289 I HN 0.480 nan 8.210 nan 0.000 0.464 290 E N 6.087 126.392 120.200 0.175 0.000 2.413 290 E HA 0.041 4.391 4.350 0.001 0.000 0.263 290 E C -0.608 176.063 176.600 0.118 0.000 1.015 290 E CA 0.196 56.694 56.400 0.163 0.000 0.916 290 E CB 0.837 30.681 29.700 0.240 0.000 0.947 290 E HN 0.512 nan 8.360 nan 0.000 0.440 291 E N 3.669 123.909 120.200 0.067 0.000 2.218 291 E HA 0.282 4.633 4.350 0.001 0.000 0.263 291 E C -0.719 175.889 176.600 0.013 0.000 0.879 291 E CA -0.560 55.854 56.400 0.023 0.000 0.762 291 E CB 1.631 31.369 29.700 0.063 0.000 1.166 291 E HN 0.414 nan 8.360 nan 0.000 0.415 292 R N 1.080 121.565 120.500 -0.026 0.000 2.700 292 R HA 0.192 4.533 4.340 0.001 0.000 0.253 292 R C -0.202 176.089 176.300 -0.016 0.000 1.091 292 R CA -1.016 55.071 56.100 -0.021 0.000 1.104 292 R CB 0.576 30.849 30.300 -0.046 0.000 1.202 292 R HN 0.445 nan 8.270 nan 0.000 0.532 293 D N 2.683 123.077 120.400 -0.010 0.000 2.662 293 D HA -0.060 4.581 4.640 0.001 0.000 0.237 293 D C -1.268 175.028 176.300 -0.007 0.000 1.154 293 D CA -0.986 53.012 54.000 -0.002 0.000 0.861 293 D CB 0.837 41.635 40.800 -0.004 0.000 1.146 293 D HN 0.220 nan 8.370 nan 0.000 0.518 294 P HA -0.171 nan 4.420 nan 0.000 0.221 294 P C 0.901 178.201 177.300 0.001 0.000 1.145 294 P CA 0.759 63.864 63.100 0.009 0.000 0.795 294 P CB 0.427 32.142 31.700 0.025 0.000 0.775 295 E N 0.469 120.669 120.200 -0.001 0.000 2.265 295 E HA -0.162 4.189 4.350 0.001 0.000 0.196 295 E C 1.956 178.549 176.600 -0.013 0.000 0.996 295 E CA 0.742 57.139 56.400 -0.004 0.000 0.832 295 E CB -0.405 29.294 29.700 -0.002 0.000 0.756 295 E HN 0.474 nan 8.360 nan 0.000 0.491 296 E N -0.053 120.134 120.200 -0.021 0.000 2.160 296 E HA -0.135 4.215 4.350 0.001 0.000 0.195 296 E C 1.773 178.354 176.600 -0.032 0.000 0.991 296 E CA 1.035 57.415 56.400 -0.032 0.000 0.810 296 E CB 0.224 29.895 29.700 -0.048 0.000 0.742 296 E HN 0.056 nan 8.360 nan 0.000 0.466 297 V N 0.980 120.878 119.914 -0.026 0.000 3.406 297 V HA -0.071 4.049 4.120 0.001 0.000 0.263 297 V C 1.652 177.740 176.094 -0.011 0.000 1.172 297 V CA 1.057 63.344 62.300 -0.022 0.000 1.140 297 V CB -0.348 31.463 31.823 -0.019 0.000 0.784 297 V HN 0.265 nan 8.190 nan 0.000 0.467 298 R N 1.392 121.887 120.500 -0.007 0.000 2.509 298 R HA 0.389 4.730 4.340 0.001 0.000 0.300 298 R C 0.105 176.402 176.300 -0.004 0.000 0.985 298 R CA -0.185 55.913 56.100 -0.003 0.000 1.092 298 R CB 0.245 30.547 30.300 0.002 0.000 1.237 298 R HN 0.616 nan 8.270 nan 0.000 0.546 299 Q N -1.192 118.603 119.800 -0.008 0.000 2.666 299 Q HA 0.322 4.662 4.340 0.001 0.000 0.276 299 Q C -0.849 175.143 176.000 -0.013 0.000 0.952 299 Q CA -0.718 55.080 55.803 -0.009 0.000 0.850 299 Q CB 0.667 29.401 28.738 -0.006 0.000 1.512 299 Q HN -0.017 nan 8.270 nan 0.000 0.395 300 I N 0.487 121.049 120.570 -0.014 0.000 2.962 300 I HA 0.123 4.294 4.170 0.001 0.000 0.246 300 I C 1.691 177.797 176.117 -0.019 0.000 1.091 300 I CA 0.853 62.142 61.300 -0.018 0.000 1.469 300 I CB 0.382 38.371 38.000 -0.018 0.000 1.324 300 I HN 0.821 nan 8.210 nan 0.000 0.461 301 S N -0.621 115.069 115.700 -0.016 0.000 2.539 301 S HA 0.343 4.813 4.470 0.001 0.000 0.221 301 S C 1.140 175.732 174.600 -0.013 0.000 0.987 301 S CA 0.486 58.676 58.200 -0.017 0.000 0.929 301 S CB 0.346 63.536 63.200 -0.017 0.000 0.832 301 S HN 0.630 nan 8.310 nan 0.000 0.492 302 G N 0.380 109.174 108.800 -0.011 0.000 2.425 302 G HA2 -0.128 3.833 3.960 0.001 0.000 0.177 302 G HA3 -0.128 3.833 3.960 0.001 0.000 0.177 302 G C 0.040 174.937 174.900 -0.006 0.000 0.999 302 G CA -0.120 44.976 45.100 -0.007 0.000 0.723 302 G HN 1.318 nan 8.290 nan 0.000 0.491 303 V N 0.907 120.817 119.914 -0.006 0.000 2.383 303 V HA 0.777 4.898 4.120 0.001 0.000 0.275 303 V C 0.592 176.683 176.094 -0.005 0.000 1.036 303 V CA -1.014 61.283 62.300 -0.005 0.000 0.889 303 V CB 0.599 32.419 31.823 -0.005 0.000 0.985 303 V HN 0.346 nan 8.190 nan 0.000 0.459 304 R N 3.849 124.347 120.500 -0.003 0.000 2.590 304 R HA 0.378 4.719 4.340 0.001 0.000 0.274 304 R C 1.009 177.308 176.300 -0.002 0.000 1.061 304 R CA 0.678 56.777 56.100 -0.002 0.000 1.081 304 R CB 0.787 31.087 30.300 -0.000 0.000 0.984 304 R HN 0.990 nan 8.270 nan 0.000 0.448 305 T N -2.326 112.226 114.554 -0.002 0.000 3.087 305 T HA 0.471 4.821 4.350 0.001 0.000 0.283 305 T C -0.001 174.699 174.700 0.000 0.000 0.956 305 T CA -0.151 61.948 62.100 -0.001 0.000 0.894 305 T CB 0.803 69.669 68.868 -0.003 0.000 1.160 305 T HN 0.609 nan 8.240 nan 0.000 0.532 306 A N 1.392 124.213 122.820 0.001 0.000 2.610 306 A HA 0.805 5.125 4.320 0.001 0.000 0.291 306 A C -3.201 174.386 177.584 0.004 0.000 1.086 306 A CA -1.607 50.432 52.037 0.004 0.000 0.677 306 A CB 0.375 19.378 19.000 0.005 0.000 1.278 306 A HN 0.110 nan 8.150 nan 0.000 0.414 307 P HA 0.255 nan 4.420 nan 0.000 0.268 307 P C 0.175 177.479 177.300 0.006 0.000 1.204 307 P CA 0.126 63.229 63.100 0.005 0.000 0.768 307 P CB 0.727 32.431 31.700 0.006 0.000 0.842 308 S N 2.094 117.797 115.700 0.006 0.000 2.572 308 S HA 0.108 4.579 4.470 0.001 0.000 0.279 308 S C 0.538 175.143 174.600 0.008 0.000 1.341 308 S CA 0.076 58.280 58.200 0.007 0.000 1.043 308 S CB -0.271 62.933 63.200 0.006 0.000 0.887 308 S HN 0.576 nan 8.310 nan 0.000 0.516 309 N N -1.744 116.963 118.700 0.010 0.000 2.984 309 N HA -0.167 4.574 4.740 0.001 0.000 0.227 309 N C -0.279 175.239 175.510 0.014 0.000 0.903 309 N CA 0.926 53.983 53.050 0.012 0.000 0.995 309 N CB -1.569 36.924 38.487 0.010 0.000 1.065 309 N HN 0.710 nan 8.380 nan 0.000 0.585 310 V N 1.885 121.808 119.914 0.014 0.000 2.529 310 V HA 0.260 4.380 4.120 0.001 0.000 0.292 310 V C -1.706 174.402 176.094 0.024 0.000 1.028 310 V CA -1.161 61.149 62.300 0.017 0.000 1.074 310 V CB 0.515 32.348 31.823 0.016 0.000 0.958 310 V HN 0.006 nan 8.190 nan 0.000 0.481 311 P HA 0.149 nan 4.420 nan 0.000 0.265 311 P C -1.114 176.217 177.300 0.051 0.000 1.187 311 P CA 0.273 63.394 63.100 0.035 0.000 0.766 311 P CB 0.503 32.219 31.700 0.027 0.000 0.820 312 V N 3.851 123.808 119.914 0.072 0.000 2.760 312 V HA 0.400 4.521 4.120 0.001 0.000 0.309 312 V C -0.891 175.312 176.094 0.183 0.000 1.077 312 V CA -0.546 61.813 62.300 0.097 0.000 0.910 312 V CB 1.953 33.810 31.823 0.057 0.000 1.008 312 V HN 0.342 nan 8.190 nan 0.000 0.424 313 F N 4.529 124.480 119.950 0.003 0.000 2.388 313 F HA 0.633 5.160 4.527 0.001 0.000 0.358 313 F C 0.000 175.801 175.800 0.001 0.000 1.122 313 F CA -1.229 56.774 58.000 0.005 0.000 1.056 313 F CB 1.184 40.188 39.000 0.008 0.000 1.155 313 F HN 0.537 nan 8.300 nan 0.000 0.461 314 N N 7.824 126.386 118.700 -0.231 0.000 2.765 314 N HA 0.347 5.087 4.740 0.001 0.000 0.277 314 N C -3.115 172.167 175.510 -0.379 0.000 1.750 314 N CA -2.012 50.855 53.050 -0.306 0.000 0.827 314 N CB 0.918 39.334 38.487 -0.119 0.000 1.200 314 N HN 0.204 nan 8.380 nan 0.000 0.494 315 P HA 0.203 nan 4.420 nan 0.000 0.279 315 P C -0.114 177.010 177.300 -0.293 0.000 1.239 315 P CA -0.259 62.612 63.100 -0.381 0.000 0.789 315 P CB 1.852 33.284 31.700 -0.448 0.000 0.933 316 A N 2.594 125.264 122.820 -0.249 0.000 2.275 316 A HA 0.361 4.681 4.320 0.001 0.000 0.212 316 A C 0.031 177.045 177.584 -0.950 0.000 1.201 316 A CA 0.442 52.156 52.037 -0.538 0.000 0.843 316 A CB -0.494 18.174 19.000 -0.553 0.000 0.873 316 A HN 0.497 nan 8.150 nan 0.000 0.492 317 F N -1.070 118.842 119.950 -0.064 0.000 2.686 317 F HA 0.513 5.041 4.527 0.001 0.000 0.311 317 F C -0.879 174.902 175.800 -0.031 0.000 1.128 317 F CA -1.193 56.785 58.000 -0.036 0.000 0.946 317 F CB 1.637 40.618 39.000 -0.032 0.000 1.336 317 F HN 0.181 nan 8.300 nan 0.000 0.457 318 D N -0.299 120.223 120.400 0.204 0.000 2.626 318 D HA 0.573 5.213 4.640 0.001 0.000 0.278 318 D C -1.627 174.684 176.300 0.018 0.000 1.211 318 D CA -0.456 53.601 54.000 0.094 0.000 0.903 318 D CB 1.378 42.253 40.800 0.126 0.000 1.408 318 D HN 0.199 nan 8.370 nan 0.000 0.454 319 I N 0.218 120.693 120.570 -0.159 0.000 2.404 319 I HA 0.362 4.533 4.170 0.001 0.000 0.293 319 I C -0.225 175.639 176.117 -0.421 0.000 0.992 319 I CA -0.452 60.711 61.300 -0.229 0.000 1.149 319 I CB 1.308 39.167 38.000 -0.235 0.000 1.315 319 I HN 0.397 nan 8.210 nan 0.000 0.446 320 T N 7.788 122.238 114.554 -0.173 0.000 2.770 320 T HA 0.339 4.690 4.350 0.001 0.000 0.297 320 T C -2.405 172.239 174.700 -0.093 0.000 0.997 320 T CA -1.257 60.791 62.100 -0.087 0.000 0.949 320 T CB 1.352 70.238 68.868 0.030 0.000 0.941 320 T HN 0.369 nan 8.240 nan 0.000 0.457 321 P HA 0.032 nan 4.420 nan 0.000 0.268 321 P C 0.605 177.847 177.300 -0.097 0.000 1.205 321 P CA -0.113 62.913 63.100 -0.123 0.000 0.771 321 P CB 0.560 32.165 31.700 -0.158 0.000 0.858 322 H N 0.861 119.959 119.070 0.047 0.000 2.460 322 H HA -0.226 4.330 4.556 0.001 0.000 0.297 322 H C 1.353 176.799 175.328 0.196 0.000 1.103 322 H CA 1.986 58.107 56.048 0.121 0.000 1.292 322 H CB -1.102 28.816 29.762 0.260 0.000 1.376 322 H HN 0.361 nan 8.280 nan 0.000 0.531 323 D N 0.413 120.609 120.400 -0.340 0.000 2.239 323 D HA -0.149 4.491 4.640 0.001 0.000 0.202 323 D C 1.470 177.770 176.300 0.001 0.000 0.993 323 D CA 1.507 55.416 54.000 -0.150 0.000 0.874 323 D CB -0.064 40.600 40.800 -0.227 0.000 0.922 323 D HN 0.557 nan 8.370 nan 0.000 0.464 324 L N -0.200 121.015 121.223 -0.013 0.000 2.640 324 L HA 0.269 4.610 4.340 0.001 0.000 0.230 324 L C 0.202 177.089 176.870 0.029 0.000 1.123 324 L CA -0.241 54.574 54.840 -0.042 0.000 0.900 324 L CB 0.361 42.325 42.059 -0.159 0.000 1.146 324 L HN -0.004 nan 8.230 nan 0.000 0.484 325 I N -0.377 120.286 120.570 0.155 0.000 2.325 325 I HA 0.081 4.251 4.170 0.001 0.000 0.291 325 I C 1.057 177.347 176.117 0.287 0.000 1.019 325 I CA 0.015 61.465 61.300 0.250 0.000 1.302 325 I CB 1.667 39.746 38.000 0.132 0.000 1.401 325 I HN 0.034 nan 8.210 nan 0.000 0.485 326 S N 4.130 119.918 115.700 0.147 0.000 2.377 326 S HA 0.096 4.566 4.470 0.001 0.000 0.223 326 S C 0.852 175.626 174.600 0.290 0.000 1.030 326 S CA 0.511 58.768 58.200 0.093 0.000 0.970 326 S CB 0.127 63.185 63.200 -0.236 0.000 0.830 326 S HN 0.855 nan 8.310 nan 0.000 0.473 327 G N 0.310 109.320 108.800 0.350 0.000 2.759 327 G HA2 0.633 4.594 3.960 0.001 0.000 0.297 327 G HA3 0.633 4.594 3.960 0.001 0.000 0.297 327 G C -1.515 173.621 174.900 0.392 0.000 1.434 327 G CA -0.790 44.622 45.100 0.519 0.000 0.980 327 G HN 0.194 nan 8.290 nan 0.000 0.531 328 I N 1.881 122.620 120.570 0.280 0.000 2.362 328 I HA 0.375 4.546 4.170 0.001 0.000 0.289 328 I C -0.319 175.894 176.117 0.161 0.000 0.994 328 I CA -0.670 60.722 61.300 0.153 0.000 1.158 328 I CB 1.757 39.791 38.000 0.055 0.000 1.315 328 I HN 0.239 nan 8.210 nan 0.000 0.451 329 I N 6.308 126.942 120.570 0.107 0.000 2.315 329 I HA 0.354 4.525 4.170 0.001 0.000 0.291 329 I C 0.504 176.664 176.117 0.072 0.000 1.006 329 I CA -0.129 61.203 61.300 0.052 0.000 1.265 329 I CB 1.267 39.260 38.000 -0.012 0.000 1.387 329 I HN 0.583 nan 8.210 nan 0.000 0.475 330 T N 0.731 115.318 114.554 0.055 0.000 2.888 330 T HA 0.280 4.630 4.350 0.001 0.000 0.288 330 T C 0.915 175.605 174.700 -0.018 0.000 1.063 330 T CA -0.749 61.378 62.100 0.046 0.000 1.010 330 T CB 1.663 70.542 68.868 0.017 0.000 1.214 330 T HN 0.643 nan 8.240 nan 0.000 0.533 331 E N 0.349 120.527 120.200 -0.037 0.000 2.265 331 E HA -0.128 4.222 4.350 0.001 0.000 0.196 331 E C 1.157 177.715 176.600 -0.069 0.000 0.996 331 E CA 0.808 57.178 56.400 -0.050 0.000 0.832 331 E CB -0.156 29.514 29.700 -0.051 0.000 0.756 331 E HN 0.425 nan 8.360 nan 0.000 0.491 332 K N 0.825 121.169 120.400 -0.094 0.000 2.365 332 K HA 0.163 4.484 4.320 0.001 0.000 0.197 332 K C 1.105 177.659 176.600 -0.076 0.000 1.042 332 K CA 0.895 57.120 56.287 -0.104 0.000 0.987 332 K CB 0.703 33.106 32.500 -0.162 0.000 0.779 332 K HN 0.346 nan 8.250 nan 0.000 0.484 333 G N 0.238 109.004 108.800 -0.058 0.000 2.302 333 G HA2 0.062 4.023 3.960 0.001 0.000 0.264 333 G HA3 0.062 4.023 3.960 0.001 0.000 0.264 333 G C -1.534 173.355 174.900 -0.018 0.000 1.335 333 G CA -0.959 44.115 45.100 -0.043 0.000 0.982 333 G HN -0.007 nan 8.290 nan 0.000 0.473 334 I N 1.212 121.779 120.570 -0.006 0.000 2.406 334 I HA 0.495 4.666 4.170 0.001 0.000 0.290 334 I C 0.447 176.616 176.117 0.086 0.000 0.999 334 I CA -0.545 60.778 61.300 0.037 0.000 1.124 334 I CB 1.822 39.822 38.000 0.002 0.000 1.289 334 I HN 0.356 nan 8.210 nan 0.000 0.441 335 M N 4.368 124.071 119.600 0.172 0.000 2.367 335 M HA 0.349 4.830 4.480 0.001 0.000 0.339 335 M C 0.759 177.243 176.300 0.306 0.000 1.177 335 M CA -0.320 55.116 55.300 0.226 0.000 1.068 335 M CB 1.795 34.607 32.600 0.354 0.000 1.602 335 M HN 0.762 nan 8.290 nan 0.000 0.457 336 T N -2.619 112.020 114.554 0.142 0.000 2.989 336 T HA 0.328 4.678 4.350 0.001 0.000 0.250 336 T C 0.959 175.543 174.700 -0.194 0.000 0.981 336 T CA 0.393 62.545 62.100 0.086 0.000 0.980 336 T CB 0.199 69.107 68.868 0.067 0.000 1.133 336 T HN 0.751 nan 8.240 nan 0.000 0.489 337 G N 1.359 109.936 108.800 -0.371 0.000 2.446 337 G HA2 0.219 4.180 3.960 0.001 0.000 0.202 337 G HA3 0.219 4.180 3.960 0.001 0.000 0.202 337 G C 0.078 174.585 174.900 -0.656 0.000 1.842 337 G CA -0.330 44.496 45.100 -0.457 0.000 0.703 337 G HN 0.358 nan 8.290 nan 0.000 0.731 338 N N 1.010 119.499 118.700 -0.351 0.000 2.819 338 N HA 0.091 4.832 4.740 0.001 0.000 0.284 338 N C 0.662 176.043 175.510 -0.215 0.000 1.196 338 N CA -0.243 52.653 53.050 -0.257 0.000 1.114 338 N CB 0.020 38.432 38.487 -0.124 0.000 1.437 338 N HN 0.267 nan 8.380 nan 0.000 0.518 339 Y N 1.030 121.303 120.300 -0.046 0.000 2.151 339 Y HA -0.248 4.302 4.550 0.001 0.000 0.284 339 Y C 2.279 178.175 175.900 -0.007 0.000 1.166 339 Y CA 1.360 59.459 58.100 -0.002 0.000 1.163 339 Y CB -0.336 38.129 38.460 0.008 0.000 0.974 339 Y HN 0.520 nan 8.280 nan 0.000 0.511 340 E N 0.185 120.416 120.200 0.051 0.000 2.085 340 E HA -0.211 4.139 4.350 0.001 0.000 0.194 340 E C 1.992 178.616 176.600 0.040 0.000 0.994 340 E CA 1.647 58.068 56.400 0.034 0.000 0.801 340 E CB 0.026 29.709 29.700 -0.028 0.000 0.743 340 E HN 0.394 nan 8.360 nan 0.000 0.453 341 E N 0.366 120.572 120.200 0.010 0.000 2.046 341 E HA -0.140 4.210 4.350 0.001 0.000 0.190 341 E C 1.955 178.569 176.600 0.023 0.000 0.982 341 E CA 0.999 57.404 56.400 0.009 0.000 0.800 341 E CB -0.062 29.630 29.700 -0.014 0.000 0.756 341 E HN 0.449 nan 8.360 nan 0.000 0.449 342 E N 0.296 120.513 120.200 0.028 0.000 2.427 342 E HA -0.004 4.346 4.350 0.001 0.000 0.196 342 E C 1.991 178.615 176.600 0.039 0.000 1.028 342 E CA 0.089 56.506 56.400 0.028 0.000 0.864 342 E CB 0.102 29.819 29.700 0.027 0.000 0.813 342 E HN 0.227 nan 8.360 nan 0.000 0.514 343 I N 0.735 121.364 120.570 0.099 0.000 2.406 343 I HA -0.170 4.000 4.170 0.001 0.000 0.249 343 I C 2.318 178.524 176.117 0.148 0.000 1.122 343 I CA 0.811 62.187 61.300 0.127 0.000 1.431 343 I CB 0.008 38.164 38.000 0.260 0.000 1.087 343 I HN 0.086 nan 8.210 nan 0.000 0.424 344 E N 0.420 120.687 120.200 0.111 0.000 2.047 344 E HA -0.281 4.070 4.350 0.001 0.000 0.191 344 E C 2.119 178.756 176.600 0.061 0.000 0.987 344 E CA 1.141 57.600 56.400 0.098 0.000 0.799 344 E CB 0.082 29.817 29.700 0.058 0.000 0.752 344 E HN 0.244 nan 8.360 nan 0.000 0.449 345 Q N 0.388 120.200 119.800 0.020 0.000 2.226 345 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 345 Q C 1.908 177.874 176.000 -0.058 0.000 0.975 345 Q CA 0.741 56.537 55.803 -0.013 0.000 0.866 345 Q CB -0.123 28.604 28.738 -0.019 0.000 0.915 345 Q HN 0.202 nan 8.270 nan 0.000 0.440 346 L N -1.331 119.830 121.223 -0.103 0.000 2.072 346 L HA 0.032 4.373 4.340 0.001 0.000 0.205 346 L C 1.162 177.795 176.870 -0.396 0.000 1.079 346 L CA 1.613 56.286 54.840 -0.278 0.000 0.752 346 L CB -0.295 41.515 42.059 -0.416 0.000 0.906 346 L HN 0.149 nan 8.230 nan 0.000 0.436 347 F N -0.427 119.449 119.950 -0.123 0.000 2.765 347 F HA 0.215 4.742 4.527 0.001 0.000 0.302 347 F C 1.061 176.827 175.800 -0.058 0.000 1.111 347 F CA -0.230 57.710 58.000 -0.100 0.000 1.359 347 F CB -0.352 38.592 39.000 -0.094 0.000 1.097 347 F HN -0.123 nan 8.300 nan 0.000 0.577 348 K N 1.659 122.092 120.400 0.054 0.000 1.981 348 K HA 0.361 4.682 4.320 0.001 0.000 0.220 348 K C 0.447 177.059 176.600 0.020 0.000 1.176 348 K CA 0.657 56.966 56.287 0.036 0.000 1.181 348 K CB -0.887 31.616 32.500 0.006 0.000 1.218 348 K HN 0.390 nan 8.250 nan 0.000 0.260 349 G N 0.000 108.829 108.800 0.048 0.000 5.446 349 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 349 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 349 G CA 0.000 45.120 45.100 0.033 0.000 0.502 349 G HN 0.000 nan 8.290 nan 0.000 0.925