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 3mp7_1_A DATA FIRST_RESID 26 DATA SEQUENCE LRERFMWTGV ALILYYVLAE IPVYGIPERI QDYFQFLRVV LAGRNGSILT DATA SEQUENCE LGIGPIVTAG IILQLXXXXX XXXXXXXXXX XXXXXXXXQR VFSVFMCFFE DATA SEQUENCE AAVWILGGAF GRVXXXXXXA IAVLMILQLA MGGIVLIILD ELVSKWGIGS DATA SEQUENCE GISLFIAAGV SQTILTRSLN PLTDPNXXXP LTGQPAIVGA IPYFIQHILK DATA SEQUENCE GDLWGAIYRG GSAPDMLSVV ATIVVFFIVV YFESMRVEIX XXXXXXXXXX DATA SEQUENCE XYPIRFLYVS NIPIILTFAL YANIQLWARV LDRLGHPWLG RFDPTTGSPI DATA SEQUENCE SGFVLYVIPP RNIFSVIDNP VRAIVYLILT VIFSLLFGYL WVELTGLDAR DATA SEQUENCE SIARXXXXXX XXIPGFRRDP RTLEKXXXXX XPYVTFWGSL TVALIAVLAD DATA SEQUENCE FLGALGTGTG ILLTVGILYR FYEEIAREQI TEMFPALRKL FGAGT 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 26 L HA 0.000 nan 4.340 nan 0.000 0.249 26 L C 0.000 176.996 176.870 0.210 0.000 1.165 26 L CA 0.000 54.971 54.840 0.219 0.000 0.813 26 L CB 0.000 42.085 42.059 0.043 0.000 0.961 27 R N -0.089 120.495 120.500 0.141 0.000 2.120 27 R HA -0.140 4.204 4.340 0.006 0.000 0.234 27 R C 1.502 177.926 176.300 0.205 0.000 1.123 27 R CA 2.139 58.322 56.100 0.138 0.000 0.975 27 R CB 0.164 30.523 30.300 0.098 0.000 0.866 27 R HN 0.490 nan 8.270 nan 0.000 0.446 28 E N -1.246 119.094 120.200 0.234 0.000 2.399 28 E HA 0.073 4.427 4.350 0.006 0.000 0.205 28 E C 1.482 178.295 176.600 0.355 0.000 0.906 28 E CA 0.158 56.768 56.400 0.350 0.000 0.998 28 E CB 0.468 30.286 29.700 0.197 0.000 1.002 28 E HN 0.151 nan 8.360 nan 0.000 0.501 29 R N -0.732 119.920 120.500 0.253 0.000 2.033 29 R HA 0.133 4.477 4.340 0.006 0.000 0.219 29 R C 1.891 178.363 176.300 0.286 0.000 1.223 29 R CA 0.976 57.210 56.100 0.223 0.000 0.971 29 R CB -0.640 29.767 30.300 0.179 0.000 0.855 29 R HN 0.095 nan 8.270 nan 0.000 0.452 30 F N 1.221 121.276 119.950 0.175 0.000 2.202 30 F HA -0.167 4.364 4.527 0.007 0.000 0.301 30 F C 2.592 178.494 175.800 0.171 0.000 1.082 30 F CA 1.431 59.539 58.000 0.179 0.000 1.313 30 F CB -0.031 39.061 39.000 0.154 0.000 1.024 30 F HN 0.048 nan 8.300 nan 0.000 0.495 31 M N -1.383 118.426 119.600 0.350 0.000 2.123 31 M HA -0.251 4.233 4.480 0.006 0.000 0.263 31 M C 2.222 178.648 176.300 0.210 0.000 1.069 31 M CA 1.517 56.956 55.300 0.232 0.000 1.133 31 M CB -0.377 32.327 32.600 0.173 0.000 1.356 31 M HN 0.305 nan 8.290 nan 0.000 0.415 32 W N 0.795 122.176 121.300 0.136 0.000 2.402 32 W HA -0.143 4.521 4.660 0.006 0.000 0.286 32 W C 2.428 179.006 176.519 0.099 0.000 1.221 32 W CA 2.240 59.663 57.345 0.131 0.000 1.257 32 W CB -0.572 28.992 29.460 0.172 0.000 1.120 32 W HN 0.395 nan 8.180 nan 0.000 0.551 33 T N -3.247 111.489 114.554 0.302 0.000 2.937 33 T HA 0.011 4.365 4.350 0.006 0.000 0.260 33 T C 2.063 176.827 174.700 0.107 0.000 1.051 33 T CA 1.375 63.565 62.100 0.150 0.000 1.141 33 T CB -0.972 67.907 68.868 0.018 0.000 0.879 33 T HN 0.043 nan 8.240 nan 0.000 0.459 34 G N 1.012 109.882 108.800 0.117 0.000 2.446 34 G HA2 -0.175 3.789 3.960 0.006 0.000 0.217 34 G HA3 -0.175 3.789 3.960 0.006 0.000 0.217 34 G C 1.655 176.626 174.900 0.117 0.000 1.168 34 G CA 0.861 46.031 45.100 0.116 0.000 0.771 34 G HN 0.434 nan 8.290 nan 0.000 0.551 35 V N 1.044 121.020 119.914 0.103 0.000 2.626 35 V HA 0.051 4.175 4.120 0.006 0.000 0.252 35 V C 3.087 179.249 176.094 0.114 0.000 1.067 35 V CA 2.174 64.518 62.300 0.074 0.000 1.081 35 V CB -0.321 31.492 31.823 -0.015 0.000 0.686 35 V HN 0.447 nan 8.190 nan 0.000 0.468 36 A N -0.587 122.328 122.820 0.159 0.000 1.930 36 A HA -0.083 4.241 4.320 0.006 0.000 0.215 36 A C 2.070 179.780 177.584 0.210 0.000 1.176 36 A CA 1.639 53.796 52.037 0.200 0.000 0.632 36 A CB -0.487 18.653 19.000 0.232 0.000 0.819 36 A HN 0.552 nan 8.150 nan 0.000 0.445 37 L N 0.044 121.359 121.223 0.153 0.000 2.017 37 L HA -0.130 4.213 4.340 0.006 0.000 0.208 37 L C 2.180 179.165 176.870 0.191 0.000 1.073 37 L CA 1.910 56.817 54.840 0.111 0.000 0.745 37 L CB -0.334 41.763 42.059 0.063 0.000 0.894 37 L HN 0.419 nan 8.230 nan 0.000 0.432 38 I N -0.930 119.778 120.570 0.231 0.000 2.286 38 I HA -0.286 3.887 4.170 0.006 0.000 0.248 38 I C 2.408 178.643 176.117 0.196 0.000 1.115 38 I CA 1.183 62.639 61.300 0.260 0.000 1.392 38 I CB -0.477 37.623 38.000 0.167 0.000 1.065 38 I HN 0.271 nan 8.210 nan 0.000 0.418 39 L N -0.054 121.258 121.223 0.149 0.000 1.989 39 L HA -0.289 4.055 4.340 0.006 0.000 0.211 39 L C 2.736 179.651 176.870 0.074 0.000 1.071 39 L CA 1.822 56.722 54.840 0.101 0.000 0.749 39 L CB -0.587 41.536 42.059 0.107 0.000 0.890 39 L HN 0.263 nan 8.230 nan 0.000 0.431 40 Y N -1.027 119.255 120.300 -0.030 0.000 2.081 40 Y HA -0.391 4.162 4.550 0.006 0.000 0.280 40 Y C 2.349 178.210 175.900 -0.064 0.000 1.163 40 Y CA 2.021 60.030 58.100 -0.152 0.000 1.135 40 Y CB -0.745 37.579 38.460 -0.226 0.000 0.970 40 Y HN 0.173 nan 8.280 nan 0.000 0.498 41 Y N -0.395 119.824 120.300 -0.135 0.000 2.207 41 Y HA -0.227 4.326 4.550 0.006 0.000 0.287 41 Y C 2.663 178.452 175.900 -0.185 0.000 1.156 41 Y CA 1.539 59.529 58.100 -0.184 0.000 1.182 41 Y CB -0.983 37.492 38.460 0.026 0.000 0.979 41 Y HN 0.079 nan 8.280 nan 0.000 0.521 42 V N -0.532 119.407 119.914 0.043 0.000 2.453 42 V HA -0.242 3.881 4.120 0.006 0.000 0.247 42 V C 2.181 178.234 176.094 -0.069 0.000 1.048 42 V CA 1.414 63.709 62.300 -0.008 0.000 1.049 42 V CB -0.647 31.186 31.823 0.016 0.000 0.672 42 V HN 0.300 nan 8.190 nan 0.000 0.457 43 L N 0.284 121.437 121.223 -0.117 0.000 2.141 43 L HA -0.048 4.296 4.340 0.006 0.000 0.209 43 L C 2.629 179.386 176.870 -0.189 0.000 1.094 43 L CA 1.394 56.147 54.840 -0.145 0.000 0.763 43 L CB -0.781 41.182 42.059 -0.160 0.000 0.908 43 L HN 0.302 nan 8.230 nan 0.000 0.437 44 A N -0.121 122.536 122.820 -0.271 0.000 1.969 44 A HA -0.219 4.105 4.320 0.006 0.000 0.218 44 A C 2.361 179.865 177.584 -0.133 0.000 1.169 44 A CA 1.668 53.552 52.037 -0.255 0.000 0.635 44 A CB -0.423 18.363 19.000 -0.357 0.000 0.810 44 A HN 0.509 nan 8.150 nan 0.000 0.445 45 E N 0.734 120.874 120.200 -0.100 0.000 2.046 45 E HA -0.115 4.239 4.350 0.006 0.000 0.190 45 E C 0.877 177.436 176.600 -0.068 0.000 0.982 45 E CA 0.738 57.097 56.400 -0.068 0.000 0.800 45 E CB -0.438 29.230 29.700 -0.053 0.000 0.756 45 E HN 0.728 nan 8.360 nan 0.000 0.449 46 I N 1.462 121.988 120.570 -0.073 0.000 2.578 46 I HA 0.211 4.385 4.170 0.006 0.000 0.286 46 I C -2.376 173.694 176.117 -0.078 0.000 1.126 46 I CA -1.842 59.417 61.300 -0.068 0.000 1.380 46 I CB 0.456 38.421 38.000 -0.058 0.000 1.408 46 I HN -0.120 nan 8.210 nan 0.000 0.532 47 P HA 0.198 nan 4.420 nan 0.000 0.281 47 P C -0.102 177.136 177.300 -0.104 0.000 1.264 47 P CA -0.513 62.532 63.100 -0.092 0.000 0.824 47 P CB 1.679 33.325 31.700 -0.089 0.000 1.092 48 V N 2.030 121.858 119.914 -0.144 0.000 3.287 48 V HA -0.137 3.987 4.120 0.006 0.000 0.306 48 V C 1.254 177.280 176.094 -0.113 0.000 1.103 48 V CA 0.363 62.569 62.300 -0.157 0.000 1.159 48 V CB -0.174 31.462 31.823 -0.311 0.000 1.036 48 V HN 0.515 nan 8.190 nan 0.000 0.487 49 Y N 3.649 123.855 120.300 -0.157 0.000 2.060 49 Y HA 0.064 4.616 4.550 0.005 0.000 0.276 49 Y C 1.853 177.683 175.900 -0.116 0.000 1.127 49 Y CA 2.233 60.264 58.100 -0.115 0.000 1.104 49 Y CB -0.507 37.901 38.460 -0.087 0.000 0.983 49 Y HN 0.672 nan 8.280 nan 0.000 0.483 50 G N 0.564 109.382 108.800 0.030 0.000 3.636 50 G HA2 0.358 4.321 3.960 0.006 0.000 0.260 50 G HA3 0.358 4.321 3.960 0.006 0.000 0.260 50 G C -0.689 174.148 174.900 -0.105 0.000 1.014 50 G CA -0.439 44.645 45.100 -0.027 0.000 1.797 50 G HN 0.328 nan 8.290 nan 0.000 0.637 51 I N 0.526 121.008 120.570 -0.147 0.000 2.452 51 I HA 0.269 4.443 4.170 0.006 0.000 0.287 51 I C -1.670 174.440 176.117 -0.012 0.000 1.079 51 I CA -2.117 59.119 61.300 -0.106 0.000 1.387 51 I CB 0.953 38.892 38.000 -0.102 0.000 1.404 51 I HN 0.017 nan 8.210 nan 0.000 0.522 52 P HA 0.095 nan 4.420 nan 0.000 0.212 52 P C 0.530 177.853 177.300 0.039 0.000 1.816 52 P CA 0.001 63.129 63.100 0.047 0.000 0.944 52 P CB 0.518 32.259 31.700 0.068 0.000 1.896 53 E N 0.952 121.165 120.200 0.021 0.000 4.510 53 E HA -0.281 4.073 4.350 0.006 0.000 0.189 53 E C -0.177 176.438 176.600 0.024 0.000 1.322 53 E CA 1.529 57.935 56.400 0.011 0.000 2.269 53 E CB -0.898 28.801 29.700 -0.001 0.000 1.885 53 E HN 0.428 nan 8.360 nan 0.000 0.337 54 R N 0.777 121.292 120.500 0.025 0.000 2.246 54 R HA 0.568 4.912 4.340 0.006 0.000 0.332 54 R C 0.576 176.888 176.300 0.021 0.000 0.974 54 R CA 0.369 56.476 56.100 0.011 0.000 0.837 54 R CB 1.193 31.483 30.300 -0.015 0.000 1.145 54 R HN 0.264 nan 8.270 nan 0.000 0.467 55 I N 1.077 121.665 120.570 0.031 0.000 3.244 55 I HA 0.184 4.358 4.170 0.006 0.000 0.314 55 I C 0.926 176.919 176.117 -0.206 0.000 1.043 55 I CA -0.111 61.172 61.300 -0.029 0.000 1.099 55 I CB 0.603 38.668 38.000 0.108 0.000 1.449 55 I HN 0.700 nan 8.210 nan 0.000 0.625 56 Q N -0.819 118.721 119.800 -0.434 0.000 2.499 56 Q HA 0.150 4.494 4.340 0.006 0.000 0.213 56 Q C -0.351 175.366 176.000 -0.471 0.000 0.929 56 Q CA 0.818 56.329 55.803 -0.486 0.000 0.904 56 Q CB 0.590 28.929 28.738 -0.665 0.000 1.052 56 Q HN 0.954 nan 8.270 nan 0.000 0.589 57 D N -0.817 119.254 120.400 -0.548 0.000 4.693 57 D HA -0.173 4.471 4.640 0.006 0.000 0.242 57 D C -0.427 175.605 176.300 -0.447 0.000 1.084 57 D CA 0.308 54.148 54.000 -0.266 0.000 1.227 57 D CB -0.826 39.977 40.800 0.004 0.000 0.779 57 D HN 0.214 nan 8.370 nan 0.000 0.380 58 Y N 2.094 121.958 120.300 -0.727 0.000 2.314 58 Y HA 0.102 4.654 4.550 0.003 0.000 0.293 58 Y C 1.286 177.165 175.900 -0.034 0.000 1.129 58 Y CA 0.556 58.324 58.100 -0.553 0.000 1.201 58 Y CB 0.057 37.951 38.460 -0.944 0.000 0.999 58 Y HN 0.328 nan 8.280 nan 0.000 0.541 59 F N 1.738 121.860 119.950 0.285 0.000 2.468 59 F HA 0.391 4.923 4.527 0.009 0.000 0.356 59 F C 0.725 176.626 175.800 0.167 0.000 1.167 59 F CA -1.043 57.120 58.000 0.270 0.000 1.135 59 F CB -1.110 38.094 39.000 0.340 0.000 1.197 59 F HN 0.005 nan 8.300 nan 0.000 0.569 60 Q N 2.787 122.772 119.800 0.308 0.000 2.314 60 Q HA 0.549 4.893 4.340 0.006 0.000 0.259 60 Q C 0.412 176.557 176.000 0.242 0.000 0.951 60 Q CA -0.617 55.307 55.803 0.202 0.000 0.909 60 Q CB 0.620 29.447 28.738 0.148 0.000 1.236 60 Q HN 0.746 nan 8.270 nan 0.000 0.444 61 F N 0.665 120.618 119.950 0.005 0.000 2.568 61 F HA -0.398 4.133 4.527 0.006 0.000 0.650 61 F C 1.356 177.121 175.800 -0.057 0.000 0.492 61 F CA 2.411 60.362 58.000 -0.082 0.000 0.801 61 F CB -1.401 37.461 39.000 -0.231 0.000 1.661 61 F HN 0.530 nan 8.300 nan 0.000 0.261 62 L N -0.071 121.294 121.223 0.237 0.000 2.189 62 L HA -0.259 4.085 4.340 0.006 0.000 0.214 62 L C 2.378 179.268 176.870 0.032 0.000 1.097 62 L CA 1.925 56.822 54.840 0.095 0.000 0.764 62 L CB -0.551 41.518 42.059 0.018 0.000 0.900 62 L HN 0.247 nan 8.230 nan 0.000 0.436 63 R N 0.385 120.969 120.500 0.140 0.000 2.170 63 R HA -0.168 4.176 4.340 0.006 0.000 0.242 63 R C 2.109 178.461 176.300 0.086 0.000 1.145 63 R CA 1.957 58.157 56.100 0.166 0.000 0.984 63 R CB -0.833 29.595 30.300 0.213 0.000 0.869 63 R HN 0.446 nan 8.270 nan 0.000 0.455 64 V N -2.098 117.848 119.914 0.053 0.000 2.379 64 V HA -0.080 4.044 4.120 0.006 0.000 0.245 64 V C 1.862 177.982 176.094 0.044 0.000 1.044 64 V CA 1.840 64.163 62.300 0.038 0.000 1.036 64 V CB -0.512 31.308 31.823 -0.004 0.000 0.664 64 V HN 0.083 nan 8.190 nan 0.000 0.453 65 V N 0.297 120.236 119.914 0.041 0.000 2.591 65 V HA 0.029 4.153 4.120 0.006 0.000 0.249 65 V C 2.364 178.440 176.094 -0.030 0.000 1.053 65 V CA 1.724 64.029 62.300 0.008 0.000 1.068 65 V CB -0.727 31.099 31.823 0.006 0.000 0.689 65 V HN 0.503 nan 8.190 nan 0.000 0.462 66 L N -0.118 121.067 121.223 -0.064 0.000 2.628 66 L HA 0.561 4.905 4.340 0.006 0.000 0.229 66 L C 1.297 178.181 176.870 0.023 0.000 1.137 66 L CA 0.373 55.154 54.840 -0.098 0.000 0.909 66 L CB -0.562 41.265 42.059 -0.386 0.000 1.137 66 L HN 0.336 nan 8.230 nan 0.000 0.470 67 A N 0.280 123.142 122.820 0.069 0.000 6.048 67 A HA 0.021 4.345 4.320 0.006 0.000 0.289 67 A C 1.060 178.750 177.584 0.177 0.000 1.956 67 A CA 0.732 52.851 52.037 0.137 0.000 0.733 67 A CB -1.812 17.270 19.000 0.136 0.000 1.204 67 A HN 1.039 nan 8.150 nan 0.000 0.387 68 G N -1.473 107.479 108.800 0.254 0.000 2.593 68 G HA2 0.222 4.186 3.960 0.006 0.000 0.237 68 G HA3 0.222 4.186 3.960 0.006 0.000 0.237 68 G C 0.011 174.955 174.900 0.073 0.000 1.312 68 G CA 1.272 46.450 45.100 0.129 0.000 0.896 68 G HN 2.353 nan 8.290 nan 0.000 0.574 69 R N -0.308 120.199 120.500 0.011 0.000 2.725 69 R HA 0.309 4.653 4.340 0.006 0.000 0.276 69 R C -0.608 175.701 176.300 0.014 0.000 1.189 69 R CA -0.501 55.608 56.100 0.015 0.000 1.083 69 R CB 0.686 30.969 30.300 -0.027 0.000 1.262 69 R HN 0.854 nan 8.270 nan 0.000 0.415 70 N N 1.687 120.425 118.700 0.064 0.000 2.454 70 N HA 0.187 4.931 4.740 0.006 0.000 0.260 70 N C 0.994 176.593 175.510 0.149 0.000 1.218 70 N CA 2.337 55.454 53.050 0.111 0.000 0.904 70 N CB 0.969 39.550 38.487 0.157 0.000 1.065 70 N HN 0.797 nan 8.380 nan 0.000 0.462 71 G N 1.042 110.008 108.800 0.277 0.000 2.176 71 G HA2 -0.273 3.691 3.960 0.006 0.000 0.253 71 G HA3 -0.273 3.691 3.960 0.006 0.000 0.253 71 G C 0.256 175.170 174.900 0.023 0.000 0.979 71 G CA 0.601 45.862 45.100 0.268 0.000 0.641 71 G HN 1.033 nan 8.290 nan 0.000 0.530 72 S N -0.371 115.322 115.700 -0.011 0.000 2.719 72 S HA 0.681 5.155 4.470 0.006 0.000 0.285 72 S C 1.870 176.405 174.600 -0.108 0.000 1.137 72 S CA 0.060 58.216 58.200 -0.073 0.000 1.012 72 S CB 1.311 64.462 63.200 -0.082 0.000 1.134 72 S HN 1.309 nan 8.310 nan 0.000 0.544 73 I N -1.139 119.358 120.570 -0.121 0.000 2.676 73 I HA 0.164 4.338 4.170 0.006 0.000 0.259 73 I C 0.858 176.883 176.117 -0.153 0.000 1.194 73 I CA 1.129 62.349 61.300 -0.132 0.000 1.473 73 I CB -0.502 37.430 38.000 -0.113 0.000 1.096 73 I HN 0.491 nan 8.210 nan 0.000 0.443 74 L N 1.215 122.342 121.223 -0.159 0.000 2.928 74 L HA 0.188 4.532 4.340 0.006 0.000 0.236 74 L C 1.515 178.288 176.870 -0.161 0.000 1.290 74 L CA -0.091 54.651 54.840 -0.163 0.000 1.099 74 L CB -0.706 41.245 42.059 -0.181 0.000 1.437 74 L HN 0.181 nan 8.230 nan 0.000 0.493 75 T N -0.192 114.235 114.554 -0.212 0.000 3.228 75 T HA 0.093 4.447 4.350 0.006 0.000 0.261 75 T C 1.366 175.690 174.700 -0.627 0.000 1.171 75 T CA 1.075 62.985 62.100 -0.317 0.000 1.056 75 T CB -0.069 68.683 68.868 -0.193 0.000 0.938 75 T HN 0.410 nan 8.240 nan 0.000 0.539 76 L N -1.583 119.413 121.223 -0.378 0.000 2.806 76 L HA 0.380 4.724 4.340 0.006 0.000 0.242 76 L C 1.927 178.834 176.870 0.062 0.000 1.068 76 L CA 0.153 54.844 54.840 -0.248 0.000 0.923 76 L CB -0.401 41.519 42.059 -0.232 0.000 1.364 76 L HN 0.411 nan 8.230 nan 0.000 0.511 77 G N 2.530 111.328 108.800 -0.004 0.000 2.591 77 G HA2 -0.399 3.565 3.960 0.006 0.000 0.298 77 G HA3 -0.399 3.565 3.960 0.006 0.000 0.298 77 G C 0.659 175.586 174.900 0.045 0.000 1.195 77 G CA 0.572 45.697 45.100 0.041 0.000 0.989 77 G HN 0.437 nan 8.290 nan 0.000 0.551 78 I N 0.198 120.813 120.570 0.074 0.000 3.812 78 I HA 0.484 4.658 4.170 0.006 0.000 0.320 78 I C 2.174 178.325 176.117 0.057 0.000 1.276 78 I CA 1.086 62.434 61.300 0.081 0.000 1.164 78 I CB -0.442 37.621 38.000 0.105 0.000 1.009 78 I HN 0.681 nan 8.210 nan 0.000 0.431 79 G N 3.430 112.272 108.800 0.069 0.000 2.553 79 G HA2 -0.215 3.749 3.960 0.006 0.000 0.218 79 G HA3 -0.215 3.749 3.960 0.006 0.000 0.218 79 G C -0.131 174.848 174.900 0.132 0.000 1.195 79 G CA 1.433 46.602 45.100 0.115 0.000 0.779 79 G HN 0.427 nan 8.290 nan 0.000 0.577 80 P HA 0.013 nan 4.420 nan 0.000 0.221 80 P C 1.915 179.281 177.300 0.109 0.000 1.150 80 P CA 0.813 63.968 63.100 0.092 0.000 0.800 80 P CB -0.015 31.705 31.700 0.033 0.000 0.787 81 I N -0.657 119.974 120.570 0.101 0.000 2.193 81 I HA -0.162 4.012 4.170 0.006 0.000 0.240 81 I C 2.583 178.771 176.117 0.118 0.000 1.084 81 I CA 1.089 62.457 61.300 0.113 0.000 1.365 81 I CB -0.858 37.204 38.000 0.104 0.000 1.064 81 I HN -0.215 nan 8.210 nan 0.000 0.410 82 V N 1.142 121.111 119.914 0.092 0.000 2.343 82 V HA -0.289 3.835 4.120 0.006 0.000 0.247 82 V C 2.738 178.901 176.094 0.115 0.000 1.051 82 V CA 2.602 64.947 62.300 0.076 0.000 1.036 82 V CB -1.136 30.701 31.823 0.023 0.000 0.654 82 V HN 0.659 nan 8.190 nan 0.000 0.451 83 T N -1.474 113.168 114.554 0.145 0.000 2.915 83 T HA -0.074 4.280 4.350 0.006 0.000 0.269 83 T C 1.860 176.739 174.700 0.298 0.000 1.071 83 T CA 1.343 63.566 62.100 0.205 0.000 1.132 83 T CB -0.333 68.667 68.868 0.220 0.000 0.878 83 T HN 0.455 nan 8.240 nan 0.000 0.479 84 A N 1.901 124.909 122.820 0.313 0.000 1.872 84 A HA 0.339 4.663 4.320 0.006 0.000 0.214 84 A C 2.749 180.523 177.584 0.316 0.000 1.187 84 A CA 1.373 53.708 52.037 0.498 0.000 0.614 84 A CB -1.538 17.723 19.000 0.434 0.000 0.826 84 A HN 0.583 nan 8.150 nan 0.000 0.442 85 G N -0.155 108.763 108.800 0.197 0.000 2.448 85 G HA2 -0.119 3.845 3.960 0.006 0.000 0.219 85 G HA3 -0.119 3.845 3.960 0.006 0.000 0.219 85 G C 1.321 176.278 174.900 0.095 0.000 1.127 85 G CA 1.091 46.262 45.100 0.119 0.000 0.766 85 G HN 0.360 nan 8.290 nan 0.000 0.552 86 I N 1.359 122.001 120.570 0.120 0.000 2.286 86 I HA -0.052 4.122 4.170 0.006 0.000 0.245 86 I C 2.652 178.816 176.117 0.078 0.000 1.104 86 I CA 0.548 61.910 61.300 0.103 0.000 1.397 86 I CB -0.756 37.311 38.000 0.112 0.000 1.072 86 I HN 0.101 nan 8.210 nan 0.000 0.417 87 I N 0.324 120.947 120.570 0.088 0.000 2.252 87 I HA -0.184 3.990 4.170 0.006 0.000 0.245 87 I C 1.845 177.884 176.117 -0.129 0.000 1.102 87 I CA 0.955 62.248 61.300 -0.013 0.000 1.385 87 I CB -1.105 36.882 38.000 -0.022 0.000 1.064 87 I HN 0.134 nan 8.210 nan 0.000 0.414 88 L N 0.548 121.690 121.223 -0.135 0.000 2.873 88 L HA -0.004 4.340 4.340 0.006 0.000 0.252 88 L C 1.474 178.311 176.870 -0.055 0.000 1.266 88 L CA 1.015 55.780 54.840 -0.125 0.000 1.111 88 L CB -0.663 41.344 42.059 -0.086 0.000 1.440 88 L HN 0.331 nan 8.230 nan 0.000 0.427 89 Q N -2.255 117.519 119.800 -0.043 0.000 2.172 89 Q HA 0.180 4.524 4.340 0.006 0.000 0.159 89 Q C -0.363 175.624 176.000 -0.022 0.000 0.653 89 Q CA -0.288 55.499 55.803 -0.026 0.000 0.896 89 Q CB 0.762 29.501 28.738 0.001 0.000 1.149 89 Q HN 0.113 nan 8.270 nan 0.000 0.333 115 R N 0.894 121.470 120.500 0.127 0.000 2.073 115 R HA -0.012 4.332 4.340 0.006 0.000 0.229 115 R C 2.175 178.576 176.300 0.168 0.000 1.120 115 R CA 1.661 57.842 56.100 0.134 0.000 0.967 115 R CB -0.078 30.281 30.300 0.098 0.000 0.862 115 R HN 0.067 nan 8.270 nan 0.000 0.436 116 V N 0.587 120.601 119.914 0.167 0.000 2.594 116 V HA -0.237 3.887 4.120 0.006 0.000 0.253 116 V C 1.884 178.129 176.094 0.252 0.000 1.069 116 V CA 1.529 63.937 62.300 0.181 0.000 1.082 116 V CB -0.669 31.235 31.823 0.135 0.000 0.680 116 V HN 0.215 nan 8.190 nan 0.000 0.469 117 F N 1.539 121.573 119.950 0.141 0.000 2.171 117 F HA -0.167 4.365 4.527 0.008 0.000 0.300 117 F C 2.514 178.471 175.800 0.262 0.000 1.090 117 F CA 1.745 59.863 58.000 0.196 0.000 1.293 117 F CB -0.011 39.062 39.000 0.122 0.000 1.013 117 F HN 0.099 nan 8.300 nan 0.000 0.486 118 S N -0.297 115.550 115.700 0.245 0.000 2.383 118 S HA -0.143 4.331 4.470 0.006 0.000 0.227 118 S C 2.111 176.773 174.600 0.102 0.000 1.026 118 S CA 1.238 59.529 58.200 0.151 0.000 0.981 118 S CB -0.549 62.749 63.200 0.164 0.000 0.818 118 S HN 0.237 nan 8.310 nan 0.000 0.472 119 V N 1.394 121.400 119.914 0.153 0.000 2.427 119 V HA -0.143 3.981 4.120 0.006 0.000 0.248 119 V C 1.865 178.131 176.094 0.286 0.000 1.051 119 V CA 1.717 64.131 62.300 0.190 0.000 1.048 119 V CB -0.770 31.182 31.823 0.215 0.000 0.666 119 V HN 0.553 nan 8.190 nan 0.000 0.456 120 F N -0.241 119.762 119.950 0.087 0.000 2.186 120 F HA -0.159 4.372 4.527 0.007 0.000 0.299 120 F C 2.293 178.122 175.800 0.049 0.000 1.090 120 F CA 1.454 59.490 58.000 0.059 0.000 1.307 120 F CB -0.053 38.888 39.000 -0.099 0.000 1.019 120 F HN 0.049 nan 8.300 nan 0.000 0.489 121 M N -0.243 119.268 119.600 -0.147 0.000 2.319 121 M HA -0.135 4.349 4.480 0.006 0.000 0.265 121 M C 2.235 178.493 176.300 -0.070 0.000 1.068 121 M CA 0.700 55.915 55.300 -0.142 0.000 1.118 121 M CB -1.926 30.622 32.600 -0.087 0.000 1.395 121 M HN 0.303 nan 8.290 nan 0.000 0.435 122 C N -0.353 118.908 119.300 -0.065 0.000 2.446 122 C HA -0.139 4.325 4.460 0.006 0.000 0.277 122 C C 2.582 177.415 174.990 -0.261 0.000 1.275 122 C CA 0.650 59.565 59.018 -0.172 0.000 1.727 122 C CB -1.182 26.416 27.740 -0.237 0.000 2.010 122 C HN 0.399 nan 8.230 nan 0.000 0.486 123 F N -0.732 119.157 119.950 -0.103 0.000 2.270 123 F HA 0.096 4.626 4.527 0.004 0.000 0.295 123 F C 2.028 177.742 175.800 -0.143 0.000 1.087 123 F CA 0.932 58.872 58.000 -0.101 0.000 1.365 123 F CB -0.716 38.243 39.000 -0.068 0.000 1.056 123 F HN 0.173 nan 8.300 nan 0.000 0.506 124 F N 1.094 120.884 119.950 -0.266 0.000 2.163 124 F HA -0.099 4.432 4.527 0.006 0.000 0.297 124 F C 2.278 177.993 175.800 -0.142 0.000 1.094 124 F CA 1.493 59.289 58.000 -0.339 0.000 1.290 124 F CB -0.199 38.369 39.000 -0.720 0.000 1.017 124 F HN -0.132 nan 8.300 nan 0.000 0.483 125 E N 0.401 120.432 120.200 -0.282 0.000 2.150 125 E HA -0.161 4.193 4.350 0.006 0.000 0.193 125 E C 2.329 178.860 176.600 -0.115 0.000 0.985 125 E CA 0.813 57.076 56.400 -0.227 0.000 0.814 125 E CB -0.293 29.395 29.700 -0.019 0.000 0.752 125 E HN 0.525 nan 8.360 nan 0.000 0.466 126 A N 1.692 124.453 122.820 -0.098 0.000 1.902 126 A HA -0.111 4.213 4.320 0.006 0.000 0.217 126 A C 2.418 180.023 177.584 0.035 0.000 1.181 126 A CA 1.673 53.695 52.037 -0.025 0.000 0.623 126 A CB -0.512 18.442 19.000 -0.078 0.000 0.818 126 A HN 0.280 nan 8.150 nan 0.000 0.443 127 A N -0.761 122.029 122.820 -0.050 0.000 1.883 127 A HA -0.078 4.246 4.320 0.006 0.000 0.217 127 A C 2.307 179.840 177.584 -0.085 0.000 1.186 127 A CA 1.856 53.865 52.037 -0.047 0.000 0.624 127 A CB -1.154 17.805 19.000 -0.068 0.000 0.822 127 A HN 0.793 nan 8.150 nan 0.000 0.444 128 V N -1.447 118.326 119.914 -0.235 0.000 2.759 128 V HA -0.121 4.003 4.120 0.006 0.000 0.256 128 V C 1.503 177.510 176.094 -0.146 0.000 1.080 128 V CA 1.075 63.217 62.300 -0.262 0.000 1.101 128 V CB -0.397 31.164 31.823 -0.436 0.000 0.698 128 V HN 0.761 nan 8.190 nan 0.000 0.477 129 W N -0.625 120.597 121.300 -0.130 0.000 3.433 129 W HA 0.283 4.947 4.660 0.007 0.000 0.376 129 W C 0.908 177.498 176.519 0.119 0.000 1.160 129 W CA 0.308 57.694 57.345 0.068 0.000 1.832 129 W CB 0.696 30.165 29.460 0.014 0.000 1.011 129 W HN 0.334 nan 8.180 nan 0.000 0.766 130 I N -1.711 118.981 120.570 0.204 0.000 5.221 130 I HA -0.123 4.051 4.170 0.006 0.000 0.332 130 I C 1.784 177.953 176.117 0.088 0.000 1.170 130 I CA 0.056 61.465 61.300 0.181 0.000 1.501 130 I CB -0.559 37.562 38.000 0.202 0.000 1.706 130 I HN -0.344 nan 8.210 nan 0.000 0.564 131 L N 1.266 122.510 121.223 0.036 0.000 2.362 131 L HA 0.056 4.400 4.340 0.006 0.000 0.219 131 L C 1.411 178.277 176.870 -0.007 0.000 1.134 131 L CA 1.796 56.639 54.840 0.005 0.000 0.807 131 L CB -1.599 40.447 42.059 -0.021 0.000 0.927 131 L HN 0.376 nan 8.230 nan 0.000 0.447 132 G N -1.708 107.089 108.800 -0.005 0.000 2.945 132 G HA2 0.414 4.378 3.960 0.006 0.000 0.156 132 G HA3 0.414 4.378 3.960 0.006 0.000 0.156 132 G C 0.953 175.875 174.900 0.036 0.000 1.375 132 G CA 0.254 45.363 45.100 0.015 0.000 1.039 132 G HN 0.220 nan 8.290 nan 0.000 0.586 133 G N -0.667 108.155 108.800 0.036 0.000 2.662 133 G HA2 0.293 4.256 3.960 0.006 0.000 0.215 133 G HA3 0.293 4.256 3.960 0.006 0.000 0.215 133 G C 1.731 176.524 174.900 -0.178 0.000 1.310 133 G CA 2.969 48.021 45.100 -0.081 0.000 0.849 133 G HN 1.865 nan 8.290 nan 0.000 0.568 134 A N -0.457 122.068 122.820 -0.492 0.000 2.290 134 A HA -0.281 4.043 4.320 0.006 0.000 0.359 134 A C 1.188 178.343 177.584 -0.716 0.000 1.653 134 A CA 2.369 53.905 52.037 -0.835 0.000 1.039 134 A CB -1.567 17.047 19.000 -0.644 0.000 1.478 134 A HN 0.922 nan 8.150 nan 0.000 0.694 135 F N 1.030 120.951 119.950 -0.049 0.000 2.893 135 F HA 0.534 5.063 4.527 0.003 0.000 0.340 135 F C 1.426 177.217 175.800 -0.017 0.000 1.300 135 F CA 0.581 58.572 58.000 -0.015 0.000 1.227 135 F CB 0.367 39.387 39.000 0.033 0.000 1.044 135 F HN 1.461 nan 8.300 nan 0.000 0.512 136 G N 0.635 109.468 108.800 0.055 0.000 2.641 136 G HA2 0.078 4.041 3.960 0.006 0.000 0.254 136 G HA3 0.078 4.041 3.960 0.006 0.000 0.254 136 G C 0.833 175.761 174.900 0.047 0.000 1.315 136 G CA 1.288 46.408 45.100 0.034 0.000 0.907 136 G HN 1.089 nan 8.290 nan 0.000 0.572 137 R N -2.781 117.739 120.500 0.034 0.000 3.904 137 R HA 0.167 4.511 4.340 0.006 0.000 0.374 137 R C 3.024 179.340 176.300 0.027 0.000 0.252 137 R CA 4.344 60.463 56.100 0.032 0.000 1.215 137 R CB -1.960 28.365 30.300 0.042 0.000 0.955 137 R HN 2.718 nan 8.270 nan 0.000 0.578 146 I N 0.887 121.468 120.570 0.018 0.000 2.439 146 I HA 0.139 4.313 4.170 0.006 0.000 0.251 146 I C 2.339 178.467 176.117 0.018 0.000 1.139 146 I CA 2.305 63.614 61.300 0.015 0.000 1.438 146 I CB -0.204 37.822 38.000 0.042 0.000 1.085 146 I HN 0.674 nan 8.210 nan 0.000 0.427 147 A N -0.004 122.837 122.820 0.034 0.000 2.042 147 A HA -0.205 4.119 4.320 0.006 0.000 0.222 147 A C 2.291 179.900 177.584 0.042 0.000 1.167 147 A CA 2.232 54.298 52.037 0.049 0.000 0.649 147 A CB -1.331 17.708 19.000 0.066 0.000 0.809 147 A HN 0.390 nan 8.150 nan 0.000 0.457 148 V N -0.858 119.073 119.914 0.029 0.000 2.358 148 V HA -0.199 3.925 4.120 0.006 0.000 0.246 148 V C 2.385 178.488 176.094 0.016 0.000 1.047 148 V CA 1.795 64.111 62.300 0.028 0.000 1.035 148 V CB -0.738 31.097 31.823 0.019 0.000 0.658 148 V HN 0.576 nan 8.190 nan 0.000 0.452 149 L N -0.964 120.252 121.223 -0.012 0.000 2.217 149 L HA -0.035 4.309 4.340 0.006 0.000 0.211 149 L C 2.184 179.036 176.870 -0.030 0.000 1.107 149 L CA 1.681 56.497 54.840 -0.040 0.000 0.783 149 L CB -0.326 41.672 42.059 -0.102 0.000 0.919 149 L HN 0.208 nan 8.230 nan 0.000 0.442 150 M N -0.604 118.985 119.600 -0.018 0.000 2.098 150 M HA -0.121 4.362 4.480 0.006 0.000 0.262 150 M C 2.254 178.540 176.300 -0.022 0.000 1.072 150 M CA 2.080 57.354 55.300 -0.043 0.000 1.133 150 M CB -0.535 32.032 32.600 -0.055 0.000 1.344 150 M HN 0.359 nan 8.290 nan 0.000 0.414 151 I N -0.830 119.756 120.570 0.026 0.000 2.335 151 I HA -0.263 3.911 4.170 0.006 0.000 0.251 151 I C 2.351 178.476 176.117 0.014 0.000 1.129 151 I CA 1.331 62.655 61.300 0.040 0.000 1.402 151 I CB -0.716 37.334 38.000 0.082 0.000 1.069 151 I HN 0.198 nan 8.210 nan 0.000 0.424 152 L N 1.298 122.543 121.223 0.036 0.000 1.976 152 L HA -0.266 4.078 4.340 0.006 0.000 0.209 152 L C 3.085 179.926 176.870 -0.049 0.000 1.071 152 L CA 2.288 57.160 54.840 0.053 0.000 0.746 152 L CB -0.560 41.533 42.059 0.058 0.000 0.890 152 L HN 0.493 nan 8.230 nan 0.000 0.432 153 Q N -0.129 119.636 119.800 -0.059 0.000 2.224 153 Q HA -0.208 4.136 4.340 0.006 0.000 0.203 153 Q C 2.059 177.982 176.000 -0.129 0.000 0.970 153 Q CA 1.822 57.573 55.803 -0.086 0.000 0.865 153 Q CB -0.651 28.048 28.738 -0.064 0.000 0.922 153 Q HN 0.663 nan 8.270 nan 0.000 0.445 154 L N -1.808 119.333 121.223 -0.137 0.000 2.492 154 L HA 0.333 4.677 4.340 0.006 0.000 0.223 154 L C 2.077 178.810 176.870 -0.228 0.000 1.132 154 L CA 1.184 55.922 54.840 -0.170 0.000 0.850 154 L CB -0.087 41.888 42.059 -0.139 0.000 0.966 154 L HN 0.146 nan 8.230 nan 0.000 0.454 155 A N 1.237 123.880 122.820 -0.296 0.000 1.911 155 A HA 0.037 4.361 4.320 0.006 0.000 0.212 155 A C 2.308 179.603 177.584 -0.482 0.000 1.189 155 A CA 1.144 52.872 52.037 -0.514 0.000 0.639 155 A CB -0.516 17.901 19.000 -0.972 0.000 0.839 155 A HN 0.650 nan 8.150 nan 0.000 0.449 156 M N -0.862 118.526 119.600 -0.353 0.000 2.476 156 M HA 0.130 4.613 4.480 0.006 0.000 0.262 156 M C 1.700 177.906 176.300 -0.157 0.000 1.079 156 M CA 1.575 56.747 55.300 -0.214 0.000 1.104 156 M CB -0.549 31.982 32.600 -0.116 0.000 1.409 156 M HN 0.144 nan 8.290 nan 0.000 0.467 157 G N 0.578 109.275 108.800 -0.172 0.000 2.443 157 G HA2 0.035 3.999 3.960 0.006 0.000 0.219 157 G HA3 0.035 3.999 3.960 0.006 0.000 0.219 157 G C 1.420 176.233 174.900 -0.145 0.000 1.131 157 G CA 0.645 45.654 45.100 -0.151 0.000 0.775 157 G HN 0.612 nan 8.290 nan 0.000 0.547 158 G N 0.663 109.370 108.800 -0.155 0.000 2.492 158 G HA2 0.022 3.986 3.960 0.006 0.000 0.214 158 G HA3 0.022 3.986 3.960 0.006 0.000 0.214 158 G C 1.687 176.542 174.900 -0.075 0.000 1.147 158 G CA 0.338 45.370 45.100 -0.112 0.000 0.809 158 G HN 0.402 nan 8.290 nan 0.000 0.533 159 I N 1.400 121.913 120.570 -0.094 0.000 2.202 159 I HA -0.164 4.010 4.170 0.006 0.000 0.242 159 I C 2.960 179.065 176.117 -0.020 0.000 1.091 159 I CA 1.162 62.435 61.300 -0.045 0.000 1.368 159 I CB -0.224 37.742 38.000 -0.057 0.000 1.058 159 I HN 0.142 nan 8.210 nan 0.000 0.410 160 V N -0.852 119.036 119.914 -0.042 0.000 2.469 160 V HA -0.243 3.881 4.120 0.006 0.000 0.251 160 V C 2.186 178.272 176.094 -0.014 0.000 1.064 160 V CA 1.639 63.923 62.300 -0.026 0.000 1.066 160 V CB -1.000 30.796 31.823 -0.044 0.000 0.667 160 V HN 0.377 nan 8.190 nan 0.000 0.461 161 L N 0.170 121.365 121.223 -0.046 0.000 2.131 161 L HA 0.039 4.383 4.340 0.006 0.000 0.206 161 L C 2.574 179.512 176.870 0.113 0.000 1.087 161 L CA 1.742 56.553 54.840 -0.048 0.000 0.767 161 L CB -0.519 41.441 42.059 -0.165 0.000 0.917 161 L HN 0.504 nan 8.230 nan 0.000 0.441 162 I N -1.851 118.767 120.570 0.081 0.000 2.394 162 I HA -0.210 3.964 4.170 0.006 0.000 0.251 162 I C 2.183 178.360 176.117 0.101 0.000 1.136 162 I CA 1.607 62.968 61.300 0.101 0.000 1.425 162 I CB -0.377 37.671 38.000 0.080 0.000 1.079 162 I HN 0.049 nan 8.210 nan 0.000 0.425 163 I N 0.027 120.648 120.570 0.084 0.000 2.202 163 I HA -0.198 3.976 4.170 0.006 0.000 0.242 163 I C 2.393 178.579 176.117 0.115 0.000 1.091 163 I CA 1.156 62.504 61.300 0.079 0.000 1.368 163 I CB -0.396 37.639 38.000 0.059 0.000 1.058 163 I HN 0.280 nan 8.210 nan 0.000 0.410 164 L N 0.880 122.200 121.223 0.160 0.000 2.093 164 L HA -0.229 4.115 4.340 0.006 0.000 0.208 164 L C 2.032 179.063 176.870 0.269 0.000 1.085 164 L CA 1.950 56.939 54.840 0.249 0.000 0.755 164 L CB -0.626 41.623 42.059 0.316 0.000 0.904 164 L HN 0.276 nan 8.230 nan 0.000 0.435 165 D N -1.179 119.380 120.400 0.266 0.000 2.117 165 D HA -0.231 4.413 4.640 0.006 0.000 0.198 165 D C 2.049 178.391 176.300 0.069 0.000 0.982 165 D CA 1.061 55.143 54.000 0.135 0.000 0.828 165 D CB 0.144 41.041 40.800 0.163 0.000 0.967 165 D HN 0.269 nan 8.370 nan 0.000 0.464 166 E N -0.625 119.625 120.200 0.084 0.000 2.106 166 E HA -0.061 4.293 4.350 0.006 0.000 0.192 166 E C 1.956 178.590 176.600 0.056 0.000 0.984 166 E CA 0.443 56.879 56.400 0.061 0.000 0.806 166 E CB -0.348 29.386 29.700 0.057 0.000 0.750 166 E HN 0.334 nan 8.360 nan 0.000 0.458 167 L N -0.573 120.693 121.223 0.072 0.000 2.046 167 L HA -0.119 4.225 4.340 0.006 0.000 0.208 167 L C 2.061 178.966 176.870 0.059 0.000 1.077 167 L CA 1.262 56.141 54.840 0.066 0.000 0.747 167 L CB -0.227 41.917 42.059 0.142 0.000 0.896 167 L HN 0.055 nan 8.230 nan 0.000 0.432 168 V N -1.731 118.222 119.914 0.063 0.000 2.488 168 V HA -0.194 3.930 4.120 0.006 0.000 0.246 168 V C 2.642 178.732 176.094 -0.007 0.000 1.046 168 V CA 1.533 63.846 62.300 0.021 0.000 1.053 168 V CB -0.200 31.600 31.823 -0.038 0.000 0.679 168 V HN 0.537 nan 8.190 nan 0.000 0.458 169 S N 0.035 115.734 115.700 -0.001 0.000 2.402 169 S HA -0.264 4.210 4.470 0.006 0.000 0.233 169 S C 1.895 176.496 174.600 0.001 0.000 1.030 169 S CA 2.459 60.658 58.200 -0.003 0.000 1.003 169 S CB -0.046 63.161 63.200 0.012 0.000 0.813 169 S HN 0.859 nan 8.310 nan 0.000 0.477 170 K N -2.851 117.562 120.400 0.022 0.000 2.567 170 K HA 0.110 4.434 4.320 0.006 0.000 0.199 170 K C 1.462 178.024 176.600 -0.063 0.000 1.412 170 K CA -0.243 56.047 56.287 0.005 0.000 1.020 170 K CB -0.581 31.956 32.500 0.061 0.000 1.487 170 K HN 0.305 nan 8.250 nan 0.000 0.531 171 W N 2.805 123.941 121.300 -0.273 0.000 3.447 171 W HA 0.315 4.979 4.660 0.007 0.000 0.348 171 W C -0.147 176.097 176.519 -0.458 0.000 1.220 171 W CA 0.875 57.917 57.345 -0.505 0.000 1.809 171 W CB 0.556 29.519 29.460 -0.829 0.000 1.040 171 W HN 0.403 nan 8.180 nan 0.000 0.735 172 G N 0.336 109.077 108.800 -0.100 0.000 2.488 172 G HA2 0.383 4.347 3.960 0.006 0.000 0.301 172 G HA3 0.383 4.347 3.960 0.006 0.000 0.301 172 G C -1.511 173.387 174.900 -0.004 0.000 1.339 172 G CA -1.000 44.106 45.100 0.010 0.000 0.803 172 G HN -0.038 nan 8.290 nan 0.000 0.482 173 I N -0.494 120.087 120.570 0.018 0.000 2.472 173 I HA 0.779 4.953 4.170 0.006 0.000 0.290 173 I C 1.015 177.152 176.117 0.032 0.000 1.016 173 I CA 0.230 61.545 61.300 0.025 0.000 1.348 173 I CB 0.805 38.829 38.000 0.039 0.000 1.417 173 I HN 1.990 nan 8.210 nan 0.000 0.521 174 G N 4.066 112.904 108.800 0.063 0.000 2.750 174 G HA2 -0.055 3.909 3.960 0.006 0.000 0.228 174 G HA3 -0.055 3.909 3.960 0.006 0.000 0.228 174 G C -0.248 174.623 174.900 -0.048 0.000 1.367 174 G CA -0.242 44.882 45.100 0.040 0.000 0.871 174 G HN 1.489 nan 8.290 nan 0.000 0.560 175 S N -0.367 115.276 115.700 -0.095 0.000 2.565 175 S HA 0.684 5.158 4.470 0.006 0.000 0.290 175 S C 1.590 176.017 174.600 -0.289 0.000 1.150 175 S CA 0.470 58.586 58.200 -0.140 0.000 1.058 175 S CB 1.593 64.731 63.200 -0.103 0.000 1.032 175 S HN 2.186 nan 8.310 nan 0.000 0.510 176 G N 1.741 110.344 108.800 -0.328 0.000 2.433 176 G HA2 -0.128 3.836 3.960 0.006 0.000 0.216 176 G HA3 -0.128 3.836 3.960 0.006 0.000 0.216 176 G C 1.132 175.361 174.900 -1.118 0.000 1.186 176 G CA 0.922 45.610 45.100 -0.686 0.000 0.779 176 G HN 0.725 nan 8.290 nan 0.000 0.543 177 I N 1.831 122.121 120.570 -0.467 0.000 2.113 177 I HA -0.310 3.864 4.170 0.006 0.000 0.242 177 I C 3.248 179.198 176.117 -0.277 0.000 1.057 177 I CA 2.195 63.365 61.300 -0.216 0.000 1.314 177 I CB -0.284 37.677 38.000 -0.065 0.000 1.022 177 I HN 0.366 nan 8.210 nan 0.000 0.408 178 S N 0.559 116.095 115.700 -0.274 0.000 2.383 178 S HA -0.174 4.300 4.470 0.006 0.000 0.227 178 S C 2.020 176.444 174.600 -0.293 0.000 1.026 178 S CA 1.099 59.169 58.200 -0.215 0.000 0.981 178 S CB -0.916 62.194 63.200 -0.149 0.000 0.818 178 S HN 0.419 nan 8.310 nan 0.000 0.472 179 L N 0.591 121.531 121.223 -0.472 0.000 2.083 179 L HA 0.108 4.452 4.340 0.006 0.000 0.209 179 L C 2.098 178.685 176.870 -0.471 0.000 1.083 179 L CA 1.641 56.184 54.840 -0.494 0.000 0.752 179 L CB -0.576 41.130 42.059 -0.588 0.000 0.899 179 L HN 0.382 nan 8.230 nan 0.000 0.433 180 F N -0.821 118.853 119.950 -0.459 0.000 2.163 180 F HA -0.134 4.397 4.527 0.007 0.000 0.297 180 F C 2.215 177.748 175.800 -0.446 0.000 1.094 180 F CA 0.769 58.312 58.000 -0.761 0.000 1.290 180 F CB -0.354 38.261 39.000 -0.642 0.000 1.017 180 F HN 0.020 nan 8.300 nan 0.000 0.483 181 I N 0.631 121.145 120.570 -0.094 0.000 2.127 181 I HA -0.307 3.867 4.170 0.006 0.000 0.241 181 I C 2.759 178.854 176.117 -0.036 0.000 1.075 181 I CA 1.333 62.609 61.300 -0.040 0.000 1.334 181 I CB -0.824 37.154 38.000 -0.037 0.000 1.040 181 I HN 0.094 nan 8.210 nan 0.000 0.405 182 A N 0.809 123.584 122.820 -0.075 0.000 1.858 182 A HA -0.149 4.175 4.320 0.006 0.000 0.216 182 A C 2.590 180.168 177.584 -0.010 0.000 1.190 182 A CA 1.907 53.919 52.037 -0.041 0.000 0.617 182 A CB -1.092 17.861 19.000 -0.079 0.000 0.827 182 A HN 0.422 nan 8.150 nan 0.000 0.443 183 A N -0.394 122.380 122.820 -0.077 0.000 1.884 183 A HA -0.062 4.262 4.320 0.006 0.000 0.219 183 A C 2.498 180.204 177.584 0.203 0.000 1.197 183 A CA 2.517 54.537 52.037 -0.029 0.000 0.637 183 A CB -1.656 17.113 19.000 -0.383 0.000 0.827 183 A HN 0.886 nan 8.150 nan 0.000 0.450 184 G N -0.745 108.164 108.800 0.182 0.000 2.459 184 G HA2 -0.167 3.797 3.960 0.006 0.000 0.217 184 G HA3 -0.167 3.797 3.960 0.006 0.000 0.217 184 G C 1.543 176.545 174.900 0.170 0.000 1.183 184 G CA 1.646 46.896 45.100 0.249 0.000 0.776 184 G HN 0.424 nan 8.290 nan 0.000 0.552 185 V N 1.156 121.134 119.914 0.106 0.000 2.255 185 V HA -0.216 3.908 4.120 0.006 0.000 0.247 185 V C 3.110 179.253 176.094 0.080 0.000 1.051 185 V CA 2.344 64.687 62.300 0.073 0.000 1.018 185 V CB -0.986 30.870 31.823 0.054 0.000 0.641 185 V HN 0.376 nan 8.190 nan 0.000 0.445 186 S N -0.702 115.059 115.700 0.101 0.000 2.374 186 S HA -0.341 4.133 4.470 0.006 0.000 0.227 186 S C 2.023 176.684 174.600 0.101 0.000 1.037 186 S CA 2.097 60.356 58.200 0.098 0.000 1.024 186 S CB -0.422 62.850 63.200 0.121 0.000 0.861 186 S HN 0.702 nan 8.310 nan 0.000 0.456 187 Q N 0.502 120.404 119.800 0.170 0.000 2.079 187 Q HA -0.153 4.191 4.340 0.006 0.000 0.200 187 Q C 2.303 178.334 176.000 0.052 0.000 0.974 187 Q CA 1.853 57.722 55.803 0.110 0.000 0.840 187 Q CB -0.343 28.535 28.738 0.232 0.000 0.898 187 Q HN 0.723 nan 8.270 nan 0.000 0.430 188 T N -1.676 112.916 114.554 0.064 0.000 3.023 188 T HA -0.008 4.346 4.350 0.006 0.000 0.266 188 T C 1.828 176.531 174.700 0.004 0.000 1.093 188 T CA 0.622 62.737 62.100 0.025 0.000 1.129 188 T CB -0.217 68.664 68.868 0.021 0.000 0.899 188 T HN 0.265 nan 8.240 nan 0.000 0.491 189 I N 0.792 121.367 120.570 0.008 0.000 2.094 189 I HA -0.085 4.089 4.170 0.006 0.000 0.234 189 I C 2.595 178.701 176.117 -0.019 0.000 1.063 189 I CA 0.917 62.210 61.300 -0.011 0.000 1.328 189 I CB -0.402 37.591 38.000 -0.013 0.000 1.058 189 I HN 0.171 nan 8.210 nan 0.000 0.400 190 L N 0.505 121.718 121.223 -0.016 0.000 1.990 190 L HA -0.256 4.088 4.340 0.006 0.000 0.213 190 L C 2.703 179.562 176.870 -0.018 0.000 1.072 190 L CA 2.372 57.199 54.840 -0.022 0.000 0.755 190 L CB -1.879 40.167 42.059 -0.021 0.000 0.889 190 L HN 0.370 nan 8.230 nan 0.000 0.432 191 T N -0.597 113.946 114.554 -0.019 0.000 2.622 191 T HA -0.221 4.133 4.350 0.006 0.000 0.266 191 T C 2.012 176.708 174.700 -0.006 0.000 1.047 191 T CA 1.344 63.433 62.100 -0.018 0.000 1.159 191 T CB -0.240 68.614 68.868 -0.024 0.000 0.863 191 T HN 0.290 nan 8.240 nan 0.000 0.422 192 R N 0.850 121.344 120.500 -0.010 0.000 2.120 192 R HA -0.016 4.328 4.340 0.006 0.000 0.234 192 R C 2.883 179.184 176.300 0.001 0.000 1.123 192 R CA 1.284 57.378 56.100 -0.010 0.000 0.975 192 R CB -0.282 30.002 30.300 -0.027 0.000 0.866 192 R HN 0.288 nan 8.270 nan 0.000 0.446 193 S N 1.004 116.702 115.700 -0.004 0.000 2.335 193 S HA -0.044 4.430 4.470 0.006 0.000 0.217 193 S C 0.753 175.368 174.600 0.026 0.000 1.032 193 S CA 0.846 59.047 58.200 0.001 0.000 0.985 193 S CB 0.076 63.264 63.200 -0.020 0.000 0.896 193 S HN 0.207 nan 8.310 nan 0.000 0.445 194 L N 1.104 122.340 121.223 0.020 0.000 2.529 194 L HA 0.539 4.883 4.340 0.006 0.000 0.246 194 L C -0.718 176.169 176.870 0.028 0.000 1.394 194 L CA -0.323 54.538 54.840 0.034 0.000 0.906 194 L CB 0.049 42.126 42.059 0.031 0.000 1.170 194 L HN 0.003 nan 8.230 nan 0.000 0.501 195 N N 2.517 121.240 118.700 0.038 0.000 2.485 195 N HA 0.357 5.101 4.740 0.006 0.000 0.243 195 N C -1.897 173.639 175.510 0.043 0.000 0.987 195 N CA -1.565 51.503 53.050 0.030 0.000 0.940 195 N CB 2.074 40.575 38.487 0.024 0.000 1.122 195 N HN 0.153 nan 8.380 nan 0.000 0.509 196 P HA -0.116 nan 4.420 nan 0.000 0.218 196 P C 0.318 177.640 177.300 0.036 0.000 1.148 196 P CA 0.929 64.049 63.100 0.034 0.000 0.822 196 P CB 0.110 31.822 31.700 0.020 0.000 0.784 197 L N -2.912 118.329 121.223 0.030 0.000 2.479 197 L HA 0.373 4.717 4.340 0.006 0.000 0.248 197 L C 1.579 178.478 176.870 0.048 0.000 1.205 197 L CA 0.273 55.132 54.840 0.031 0.000 0.817 197 L CB -1.045 41.024 42.059 0.018 0.000 1.162 197 L HN -0.157 nan 8.230 nan 0.000 0.486 198 T N -4.379 110.203 114.554 0.047 0.000 3.111 198 T HA 0.241 4.594 4.350 0.006 0.000 0.236 198 T C -0.168 174.567 174.700 0.058 0.000 0.984 198 T CA 0.487 62.627 62.100 0.066 0.000 1.195 198 T CB -0.427 68.479 68.868 0.063 0.000 0.929 198 T HN 0.715 nan 8.240 nan 0.000 0.431 199 D N 2.704 123.127 120.400 0.039 0.000 5.167 199 D HA -0.051 4.592 4.640 0.006 0.000 0.237 199 D C -2.846 173.475 176.300 0.035 0.000 1.278 199 D CA 0.402 54.420 54.000 0.029 0.000 1.266 199 D CB -0.164 40.648 40.800 0.021 0.000 0.704 199 D HN 0.318 nan 8.370 nan 0.000 0.350 200 P HA 0.024 nan 4.420 nan 0.000 0.252 200 P C -0.249 177.066 177.300 0.025 0.000 1.694 200 P CA 0.051 63.169 63.100 0.031 0.000 1.163 200 P CB 0.239 31.952 31.700 0.023 0.000 1.934 206 L N -1.103 120.180 121.223 0.100 0.000 2.766 206 L HA 0.532 4.876 4.340 0.006 0.000 0.242 206 L C 1.388 178.222 176.870 -0.059 0.000 1.136 206 L CA 1.232 56.065 54.840 -0.012 0.000 0.933 206 L CB -0.622 41.385 42.059 -0.088 0.000 1.241 206 L HN 0.354 nan 8.230 nan 0.000 0.522 207 T N -4.540 109.992 114.554 -0.037 0.000 3.037 207 T HA 0.349 4.703 4.350 0.006 0.000 0.251 207 T C 1.543 176.237 174.700 -0.009 0.000 1.079 207 T CA 0.392 62.465 62.100 -0.045 0.000 1.067 207 T CB -0.214 68.621 68.868 -0.055 0.000 0.948 207 T HN 0.626 nan 8.240 nan 0.000 0.496 208 G N 1.219 110.029 108.800 0.017 0.000 2.258 208 G HA2 -0.238 3.726 3.960 0.006 0.000 0.274 208 G HA3 -0.238 3.726 3.960 0.006 0.000 0.274 208 G C -0.280 174.635 174.900 0.024 0.000 1.021 208 G CA 0.433 45.547 45.100 0.023 0.000 0.798 208 G HN 0.709 nan 8.290 nan 0.000 0.507 209 Q N -1.374 118.447 119.800 0.034 0.000 2.451 209 Q HA 0.435 4.779 4.340 0.006 0.000 0.281 209 Q C -1.452 174.583 176.000 0.059 0.000 1.099 209 Q CA -1.934 53.889 55.803 0.034 0.000 0.806 209 Q CB 2.260 31.009 28.738 0.018 0.000 1.419 209 Q HN -0.014 nan 8.270 nan 0.000 0.427 210 P HA -0.322 nan 4.420 nan 0.000 0.228 210 P C -0.500 176.866 177.300 0.111 0.000 1.153 210 P CA 2.162 65.304 63.100 0.070 0.000 0.897 210 P CB -0.127 31.604 31.700 0.052 0.000 0.782 211 A N -2.071 120.832 122.820 0.137 0.000 2.429 211 A HA -0.164 4.160 4.320 0.006 0.000 0.684 211 A C 0.075 177.798 177.584 0.232 0.000 0.143 211 A CA -0.220 51.957 52.037 0.233 0.000 0.046 211 A CB -2.073 17.126 19.000 0.332 0.000 3.961 211 A HN 0.168 nan 8.150 nan 0.000 0.546 212 I N 3.381 124.111 120.570 0.267 0.000 2.683 212 I HA 0.084 4.258 4.170 0.006 0.000 0.286 212 I C 1.875 178.135 176.117 0.238 0.000 1.175 212 I CA -0.023 61.407 61.300 0.216 0.000 1.429 212 I CB 0.427 38.535 38.000 0.181 0.000 1.371 212 I HN 0.544 nan 8.210 nan 0.000 0.569 213 V N 5.632 125.638 119.914 0.153 0.000 2.237 213 V HA -0.152 3.972 4.120 0.006 0.000 0.245 213 V C 1.668 177.842 176.094 0.132 0.000 1.046 213 V CA 1.867 64.238 62.300 0.118 0.000 1.007 213 V CB -0.875 30.985 31.823 0.062 0.000 0.638 213 V HN 1.032 nan 8.190 nan 0.000 0.445 214 G N -0.579 108.291 108.800 0.118 0.000 2.138 214 G HA2 0.220 4.184 3.960 0.006 0.000 0.256 214 G HA3 0.220 4.184 3.960 0.006 0.000 0.256 214 G C 1.084 176.090 174.900 0.178 0.000 1.141 214 G CA 0.444 45.613 45.100 0.115 0.000 0.967 214 G HN 0.579 nan 8.290 nan 0.000 0.435 215 A N 3.593 126.505 122.820 0.154 0.000 1.917 215 A HA -0.162 4.162 4.320 0.006 0.000 0.219 215 A C 2.334 180.056 177.584 0.231 0.000 1.182 215 A CA 1.688 53.839 52.037 0.189 0.000 0.633 215 A CB -0.259 18.792 19.000 0.085 0.000 0.819 215 A HN 0.725 nan 8.150 nan 0.000 0.448 216 I N -0.239 120.434 120.570 0.172 0.000 2.133 216 I HA -0.125 4.049 4.170 0.006 0.000 0.238 216 I C -0.537 175.757 176.117 0.295 0.000 1.074 216 I CA 1.226 62.663 61.300 0.229 0.000 1.342 216 I CB -1.386 36.691 38.000 0.128 0.000 1.053 216 I HN 0.156 nan 8.210 nan 0.000 0.404 217 P HA -0.242 nan 4.420 nan 0.000 0.216 217 P C 1.703 179.088 177.300 0.142 0.000 1.153 217 P CA 1.679 64.864 63.100 0.142 0.000 0.858 217 P CB -0.174 31.591 31.700 0.108 0.000 0.789 218 Y N -0.658 119.668 120.300 0.043 0.000 2.145 218 Y HA -0.245 4.309 4.550 0.007 0.000 0.286 218 Y C 2.326 178.207 175.900 -0.032 0.000 1.145 218 Y CA 1.574 59.631 58.100 -0.071 0.000 1.148 218 Y CB -0.911 37.398 38.460 -0.252 0.000 0.981 218 Y HN -0.121 nan 8.280 nan 0.000 0.507 219 F N 0.263 120.302 119.950 0.148 0.000 2.075 219 F HA -0.249 4.282 4.527 0.006 0.000 0.297 219 F C 1.950 177.781 175.800 0.052 0.000 1.113 219 F CA 1.961 60.024 58.000 0.106 0.000 1.218 219 F CB -0.844 38.225 39.000 0.115 0.000 0.984 219 F HN 0.037 nan 8.300 nan 0.000 0.472 220 I N 0.659 121.074 120.570 -0.258 0.000 2.118 220 I HA -0.354 3.820 4.170 0.006 0.000 0.241 220 I C 2.761 178.725 176.117 -0.255 0.000 1.070 220 I CA 1.963 63.059 61.300 -0.340 0.000 1.327 220 I CB -0.834 37.140 38.000 -0.043 0.000 1.034 220 I HN 0.404 nan 8.210 nan 0.000 0.405 221 Q N 0.644 120.354 119.800 -0.151 0.000 2.030 221 Q HA -0.268 4.076 4.340 0.006 0.000 0.204 221 Q C 2.211 178.097 176.000 -0.190 0.000 0.986 221 Q CA 1.844 57.558 55.803 -0.148 0.000 0.843 221 Q CB -0.278 28.385 28.738 -0.126 0.000 0.904 221 Q HN 0.620 nan 8.270 nan 0.000 0.420 222 H N -0.688 118.163 119.070 -0.365 0.000 2.491 222 H HA -0.061 4.499 4.556 0.007 0.000 0.290 222 H C 1.964 177.143 175.328 -0.248 0.000 1.050 222 H CA 0.743 56.598 56.048 -0.323 0.000 1.309 222 H CB 0.385 29.930 29.762 -0.362 0.000 1.392 222 H HN 0.251 nan 8.280 nan 0.000 0.554 223 I N 0.493 120.924 120.570 -0.233 0.000 2.500 223 I HA -0.183 3.991 4.170 0.006 0.000 0.252 223 I C 2.048 178.057 176.117 -0.180 0.000 1.142 223 I CA 0.634 61.783 61.300 -0.252 0.000 1.451 223 I CB 0.039 37.752 38.000 -0.480 0.000 1.093 223 I HN 0.101 nan 8.210 nan 0.000 0.430 224 L N -0.185 120.929 121.223 -0.182 0.000 2.027 224 L HA -0.203 4.141 4.340 0.006 0.000 0.206 224 L C 2.290 179.082 176.870 -0.129 0.000 1.074 224 L CA 1.495 56.252 54.840 -0.138 0.000 0.745 224 L CB -0.695 41.285 42.059 -0.132 0.000 0.898 224 L HN 0.058 nan 8.230 nan 0.000 0.433 225 K N 0.395 120.696 120.400 -0.166 0.000 2.217 225 K HA 0.064 4.387 4.320 0.006 0.000 0.202 225 K C 0.932 177.451 176.600 -0.134 0.000 1.051 225 K CA 0.479 56.664 56.287 -0.171 0.000 0.952 225 K CB -0.463 31.877 32.500 -0.267 0.000 0.736 225 K HN 0.319 nan 8.250 nan 0.000 0.453 226 G N 3.303 112.030 108.800 -0.122 0.000 2.580 226 G HA2 -0.278 3.686 3.960 0.006 0.000 0.289 226 G HA3 -0.278 3.686 3.960 0.006 0.000 0.289 226 G C -0.573 174.303 174.900 -0.040 0.000 0.118 226 G CA 0.845 45.903 45.100 -0.070 0.000 1.158 226 G HN 0.583 nan 8.290 nan 0.000 0.544 227 D N -0.185 120.208 120.400 -0.011 0.000 3.357 227 D HA -0.154 4.490 4.640 0.006 0.000 0.238 227 D C 0.488 176.828 176.300 0.066 0.000 1.126 227 D CA 0.599 54.619 54.000 0.033 0.000 0.984 227 D CB -0.820 39.993 40.800 0.022 0.000 0.925 227 D HN 0.617 nan 8.370 nan 0.000 0.414 228 L N 2.002 123.275 121.223 0.082 0.000 2.783 228 L HA 0.523 4.867 4.340 0.006 0.000 0.235 228 L C 0.682 177.644 176.870 0.153 0.000 1.260 228 L CA 0.714 55.622 54.840 0.113 0.000 1.184 228 L CB -0.088 42.028 42.059 0.094 0.000 1.472 228 L HN 0.593 nan 8.230 nan 0.000 0.426 229 W N 0.598 122.011 121.300 0.189 0.000 0.667 229 W HA 0.493 5.157 4.660 0.006 0.000 0.318 229 W C 0.646 177.316 176.519 0.252 0.000 0.864 229 W CA -0.494 56.980 57.345 0.214 0.000 1.195 229 W CB -0.702 28.867 29.460 0.182 0.000 1.170 229 W HN 0.590 nan 8.180 nan 0.000 0.511 230 G N 1.010 109.973 108.800 0.270 0.000 3.377 230 G HA2 -0.006 3.958 3.960 0.006 0.000 0.304 230 G HA3 -0.006 3.958 3.960 0.006 0.000 0.304 230 G C 1.674 176.849 174.900 0.457 0.000 1.366 230 G CA 2.842 48.161 45.100 0.365 0.000 1.020 230 G HN 2.183 nan 8.290 nan 0.000 0.621 231 A N 0.171 123.185 122.820 0.324 0.000 1.898 231 A HA 0.575 4.899 4.320 0.006 0.000 0.214 231 A C 2.740 180.416 177.584 0.154 0.000 1.183 231 A CA 3.303 55.457 52.037 0.194 0.000 0.622 231 A CB -0.876 18.214 19.000 0.150 0.000 0.824 231 A HN 2.255 nan 8.150 nan 0.000 0.444 232 I N -2.523 118.151 120.570 0.174 0.000 5.825 232 I HA 0.424 4.598 4.170 0.006 0.000 0.130 232 I C 1.317 177.555 176.117 0.202 0.000 1.093 232 I CA 0.197 61.589 61.300 0.155 0.000 1.332 232 I CB -1.498 36.590 38.000 0.147 0.000 1.366 232 I HN 1.241 nan 8.210 nan 0.000 0.614 233 Y N 0.483 120.792 120.300 0.014 0.000 2.947 233 Y HA 0.197 4.751 4.550 0.007 0.000 0.124 233 Y C 0.311 176.149 175.900 -0.104 0.000 1.908 233 Y CA 1.302 59.352 58.100 -0.083 0.000 0.975 233 Y CB -1.587 36.735 38.460 -0.229 0.000 1.591 233 Y HN 2.731 nan 8.280 nan 0.000 0.340 234 R N 0.844 121.227 120.500 -0.194 0.000 1.002 234 R HA 0.098 4.442 4.340 0.006 0.000 0.430 234 R C 0.821 177.093 176.300 -0.046 0.000 1.355 234 R CA 0.960 57.046 56.100 -0.023 0.000 1.047 234 R CB -2.001 28.356 30.300 0.096 0.000 3.187 234 R HN 1.971 nan 8.270 nan 0.000 0.514 235 G N 0.029 108.825 108.800 -0.006 0.000 3.026 235 G HA2 0.570 4.534 3.960 0.006 0.000 0.208 235 G HA3 0.570 4.534 3.960 0.006 0.000 0.208 235 G C 1.273 176.244 174.900 0.119 0.000 1.169 235 G CA 1.315 46.467 45.100 0.086 0.000 0.788 235 G HN 2.579 nan 8.290 nan 0.000 0.533 236 G N -0.301 108.483 108.800 -0.027 0.000 3.055 236 G HA2 0.009 3.973 3.960 0.006 0.000 0.654 236 G HA3 0.009 3.973 3.960 0.006 0.000 0.654 236 G C 0.002 174.866 174.900 -0.060 0.000 1.134 236 G CA -0.232 44.833 45.100 -0.057 0.000 1.049 236 G HN 0.437 nan 8.290 nan 0.000 0.458 237 S N 0.174 115.808 115.700 -0.111 0.000 2.640 237 S HA 0.865 5.339 4.470 0.006 0.000 0.262 237 S C 1.338 175.746 174.600 -0.320 0.000 1.232 237 S CA 0.302 58.385 58.200 -0.195 0.000 0.988 237 S CB 1.135 64.237 63.200 -0.163 0.000 1.034 237 S HN 1.918 nan 8.310 nan 0.000 0.569 238 A N 0.958 123.428 122.820 -0.584 0.000 2.450 238 A HA 0.675 4.999 4.320 0.006 0.000 0.281 238 A C -2.628 174.615 177.584 -0.568 0.000 1.372 238 A CA -1.572 50.133 52.037 -0.554 0.000 0.886 238 A CB -1.000 17.681 19.000 -0.531 0.000 1.462 238 A HN 0.519 nan 8.150 nan 0.000 0.514 239 P HA 0.405 nan 4.420 nan 0.000 0.271 239 P C -0.353 176.857 177.300 -0.150 0.000 1.226 239 P CA 0.595 63.580 63.100 -0.193 0.000 0.765 239 P CB 0.038 31.692 31.700 -0.077 0.000 0.835 240 D N 1.932 122.266 120.400 -0.110 0.000 2.388 240 D HA 0.245 4.888 4.640 0.006 0.000 0.254 240 D C 0.936 177.245 176.300 0.015 0.000 1.111 240 D CA -0.456 53.543 54.000 -0.000 0.000 0.993 240 D CB 0.520 41.303 40.800 -0.028 0.000 1.118 240 D HN 0.284 nan 8.370 nan 0.000 0.502 241 M N -0.206 119.410 119.600 0.026 0.000 2.419 241 M HA 0.175 4.658 4.480 0.006 0.000 0.264 241 M C 1.649 177.902 176.300 -0.079 0.000 1.082 241 M CA 0.984 56.231 55.300 -0.089 0.000 1.119 241 M CB -0.528 31.942 32.600 -0.216 0.000 1.398 241 M HN 0.555 nan 8.290 nan 0.000 0.453 242 L N -1.573 119.633 121.223 -0.029 0.000 2.156 242 L HA -0.119 4.225 4.340 0.006 0.000 0.208 242 L C 2.442 179.296 176.870 -0.027 0.000 1.095 242 L CA 0.951 55.779 54.840 -0.021 0.000 0.770 242 L CB -0.775 41.282 42.059 -0.004 0.000 0.914 242 L HN 0.305 nan 8.230 nan 0.000 0.439 243 S N -0.320 115.358 115.700 -0.036 0.000 2.355 243 S HA -0.140 4.334 4.470 0.006 0.000 0.222 243 S C 1.996 176.574 174.600 -0.038 0.000 1.031 243 S CA 1.181 59.358 58.200 -0.039 0.000 0.993 243 S CB -0.051 63.117 63.200 -0.052 0.000 0.859 243 S HN 0.168 nan 8.310 nan 0.000 0.453 244 V N 1.497 121.380 119.914 -0.051 0.000 2.287 244 V HA -0.149 3.975 4.120 0.006 0.000 0.248 244 V C 2.415 178.476 176.094 -0.056 0.000 1.053 244 V CA 1.899 64.161 62.300 -0.062 0.000 1.027 244 V CB -0.790 30.981 31.823 -0.086 0.000 0.646 244 V HN 0.391 nan 8.190 nan 0.000 0.447 245 V N 0.233 120.118 119.914 -0.048 0.000 2.295 245 V HA -0.253 3.871 4.120 0.006 0.000 0.246 245 V C 2.745 178.844 176.094 0.008 0.000 1.049 245 V CA 1.971 64.261 62.300 -0.018 0.000 1.024 245 V CB -1.272 30.543 31.823 -0.012 0.000 0.648 245 V HN 0.555 nan 8.190 nan 0.000 0.447 246 A N 0.406 123.230 122.820 0.008 0.000 1.884 246 A HA -0.304 4.020 4.320 0.006 0.000 0.219 246 A C 2.414 180.014 177.584 0.026 0.000 1.197 246 A CA 2.987 55.040 52.037 0.025 0.000 0.637 246 A CB -1.267 17.744 19.000 0.017 0.000 0.827 246 A HN 0.556 nan 8.150 nan 0.000 0.450 247 T N 0.265 114.821 114.554 0.002 0.000 2.652 247 T HA -0.173 4.181 4.350 0.006 0.000 0.267 247 T C 1.829 176.523 174.700 -0.009 0.000 1.039 247 T CA 1.668 63.769 62.100 0.001 0.000 1.153 247 T CB -0.517 68.335 68.868 -0.027 0.000 0.863 247 T HN 0.399 nan 8.240 nan 0.000 0.428 248 I N 0.695 121.224 120.570 -0.069 0.000 2.208 248 I HA -0.175 3.999 4.170 0.006 0.000 0.245 248 I C 2.545 178.574 176.117 -0.147 0.000 1.097 248 I CA 0.966 62.157 61.300 -0.181 0.000 1.363 248 I CB -0.415 37.506 38.000 -0.133 0.000 1.051 248 I HN 0.089 nan 8.210 nan 0.000 0.413 249 V N 0.137 120.085 119.914 0.055 0.000 2.295 249 V HA -0.239 3.885 4.120 0.006 0.000 0.246 249 V C 2.395 178.589 176.094 0.168 0.000 1.049 249 V CA 1.669 64.079 62.300 0.184 0.000 1.024 249 V CB -0.391 31.522 31.823 0.151 0.000 0.648 249 V HN 0.237 nan 8.190 nan 0.000 0.447 250 V N -0.489 119.493 119.914 0.112 0.000 2.332 250 V HA -0.292 3.832 4.120 0.006 0.000 0.248 250 V C 2.187 178.348 176.094 0.112 0.000 1.055 250 V CA 2.418 64.785 62.300 0.113 0.000 1.038 250 V CB -0.874 31.002 31.823 0.087 0.000 0.651 250 V HN 0.567 nan 8.190 nan 0.000 0.450 251 F N 0.435 120.340 119.950 -0.076 0.000 2.161 251 F HA -0.214 4.317 4.527 0.006 0.000 0.300 251 F C 1.995 177.769 175.800 -0.043 0.000 1.089 251 F CA 1.710 59.633 58.000 -0.127 0.000 1.282 251 F CB -0.290 38.532 39.000 -0.296 0.000 1.010 251 F HN 0.135 nan 8.300 nan 0.000 0.485 252 F N 0.277 120.325 119.950 0.163 0.000 2.206 252 F HA -0.067 4.464 4.527 0.007 0.000 0.298 252 F C 2.161 178.005 175.800 0.073 0.000 1.090 252 F CA 0.967 59.026 58.000 0.099 0.000 1.323 252 F CB -1.078 38.007 39.000 0.141 0.000 1.028 252 F HN -0.055 nan 8.300 nan 0.000 0.492 253 I N -0.800 119.939 120.570 0.283 0.000 2.202 253 I HA -0.237 3.937 4.170 0.006 0.000 0.242 253 I C 2.235 178.561 176.117 0.348 0.000 1.091 253 I CA 0.904 62.397 61.300 0.321 0.000 1.368 253 I CB -0.777 37.401 38.000 0.297 0.000 1.058 253 I HN -0.130 nan 8.210 nan 0.000 0.410 254 V N 0.269 120.275 119.914 0.153 0.000 2.407 254 V HA -0.211 3.913 4.120 0.006 0.000 0.248 254 V C 2.416 178.492 176.094 -0.031 0.000 1.055 254 V CA 1.417 63.754 62.300 0.062 0.000 1.049 254 V CB -0.493 31.307 31.823 -0.039 0.000 0.662 254 V HN 0.254 nan 8.190 nan 0.000 0.455 255 V N -1.221 118.617 119.914 -0.126 0.000 2.283 255 V HA -0.257 3.867 4.120 0.006 0.000 0.243 255 V C 2.192 178.234 176.094 -0.086 0.000 1.039 255 V CA 2.183 64.394 62.300 -0.148 0.000 1.016 255 V CB -0.705 31.040 31.823 -0.131 0.000 0.650 255 V HN 0.571 nan 8.190 nan 0.000 0.449 256 Y N 0.180 120.433 120.300 -0.078 0.000 2.114 256 Y HA -0.278 4.276 4.550 0.006 0.000 0.282 256 Y C 2.131 177.849 175.900 -0.304 0.000 1.165 256 Y CA 1.972 59.953 58.100 -0.198 0.000 1.148 256 Y CB -0.406 37.887 38.460 -0.277 0.000 0.972 256 Y HN 0.258 nan 8.280 nan 0.000 0.504 257 F N -0.010 119.919 119.950 -0.035 0.000 2.502 257 F HA -0.105 4.426 4.527 0.007 0.000 0.298 257 F C 2.262 178.010 175.800 -0.086 0.000 1.111 257 F CA 1.243 59.218 58.000 -0.042 0.000 1.445 257 F CB -0.199 38.896 39.000 0.160 0.000 1.081 257 F HN 0.132 nan 8.300 nan 0.000 0.558 258 E N -0.622 119.505 120.200 -0.121 0.000 2.190 258 E HA -0.069 4.285 4.350 0.006 0.000 0.191 258 E C 2.240 178.579 176.600 -0.435 0.000 0.978 258 E CA 0.756 56.950 56.400 -0.344 0.000 0.839 258 E CB 0.013 29.292 29.700 -0.702 0.000 0.787 258 E HN 0.255 nan 8.360 nan 0.000 0.473 259 S N 1.044 116.499 115.700 -0.409 0.000 2.383 259 S HA -0.049 4.425 4.470 0.006 0.000 0.227 259 S C 1.065 175.536 174.600 -0.215 0.000 1.026 259 S CA 0.703 58.777 58.200 -0.210 0.000 0.981 259 S CB -0.082 62.967 63.200 -0.253 0.000 0.818 259 S HN 0.204 nan 8.310 nan 0.000 0.472 260 M N 2.203 121.595 119.600 -0.347 0.000 2.268 260 M HA 0.328 4.812 4.480 0.006 0.000 0.349 260 M C 0.281 176.526 176.300 -0.092 0.000 1.485 260 M CA 0.228 55.345 55.300 -0.306 0.000 1.094 260 M CB 0.005 32.277 32.600 -0.547 0.000 1.843 260 M HN 0.245 nan 8.290 nan 0.000 0.460 261 R N 2.345 122.812 120.500 -0.054 0.000 2.795 261 R HA 0.810 5.154 4.340 0.006 0.000 0.275 261 R C -1.340 174.962 176.300 0.003 0.000 0.981 261 R CA -0.841 55.262 56.100 0.006 0.000 0.917 261 R CB 1.169 31.464 30.300 -0.008 0.000 1.202 261 R HN 0.566 nan 8.270 nan 0.000 0.469 262 V N 2.473 122.395 119.914 0.013 0.000 2.383 262 V HA 0.317 4.441 4.120 0.006 0.000 0.275 262 V C -0.159 175.935 176.094 -0.001 0.000 1.036 262 V CA -0.633 61.675 62.300 0.014 0.000 0.889 262 V CB 1.216 33.054 31.823 0.025 0.000 0.985 262 V HN 0.921 nan 8.190 nan 0.000 0.459 263 E N 3.745 123.952 120.200 0.012 0.000 2.229 263 E HA 0.701 5.055 4.350 0.006 0.000 0.283 263 E C 0.027 176.656 176.600 0.049 0.000 1.030 263 E CA 0.116 56.529 56.400 0.022 0.000 0.836 263 E CB 1.443 31.152 29.700 0.015 0.000 1.068 263 E HN 0.739 nan 8.360 nan 0.000 0.401 278 P HA 0.505 nan 4.420 nan 0.000 0.296 278 P C -1.048 175.955 177.300 -0.495 0.000 1.306 278 P CA -0.232 62.613 63.100 -0.425 0.000 0.818 278 P CB 1.829 33.370 31.700 -0.266 0.000 0.969 279 I N 3.518 123.950 120.570 -0.229 0.000 2.503 279 I HA 0.315 4.489 4.170 0.006 0.000 0.277 279 I C 1.777 177.835 176.117 -0.098 0.000 1.078 279 I CA -0.582 60.576 61.300 -0.237 0.000 1.184 279 I CB 1.006 38.840 38.000 -0.277 0.000 1.353 279 I HN 0.187 nan 8.210 nan 0.000 0.490 280 R N 4.047 124.561 120.500 0.023 0.000 2.265 280 R HA -0.303 4.041 4.340 0.006 0.000 0.268 280 R C 1.236 177.676 176.300 0.233 0.000 1.178 280 R CA 2.726 58.908 56.100 0.138 0.000 1.005 280 R CB -0.309 30.122 30.300 0.219 0.000 0.891 280 R HN 0.665 nan 8.270 nan 0.000 0.472 281 F N -2.971 117.018 119.950 0.066 0.000 2.523 281 F HA -0.361 4.170 4.527 0.007 0.000 0.742 281 F C -0.339 175.570 175.800 0.181 0.000 0.486 281 F CA 1.748 59.817 58.000 0.115 0.000 0.787 281 F CB -1.253 37.809 39.000 0.103 0.000 1.633 281 F HN -0.052 nan 8.300 nan 0.000 0.276 282 L N 1.937 123.260 121.223 0.166 0.000 2.672 282 L HA 0.047 4.391 4.340 0.006 0.000 0.238 282 L C 1.289 178.226 176.870 0.111 0.000 1.392 282 L CA 0.031 54.897 54.840 0.044 0.000 1.238 282 L CB -0.782 41.349 42.059 0.119 0.000 1.548 282 L HN 0.501 nan 8.230 nan 0.000 0.423 283 Y N 1.055 121.336 120.300 -0.033 0.000 2.081 283 Y HA -0.277 4.277 4.550 0.007 0.000 0.280 283 Y C 2.099 178.012 175.900 0.022 0.000 1.163 283 Y CA 2.000 60.106 58.100 0.011 0.000 1.135 283 Y CB 0.068 38.539 38.460 0.019 0.000 0.970 283 Y HN 0.216 nan 8.280 nan 0.000 0.498 284 V N -0.310 119.593 119.914 -0.020 0.000 3.649 284 V HA 0.089 4.213 4.120 0.006 0.000 0.275 284 V C 1.551 177.563 176.094 -0.137 0.000 1.281 284 V CA 1.074 63.306 62.300 -0.112 0.000 1.143 284 V CB -0.870 30.912 31.823 -0.068 0.000 0.892 284 V HN 0.710 nan 8.190 nan 0.000 0.441 285 S N 1.124 116.779 115.700 -0.076 0.000 4.112 285 S HA -0.350 4.124 4.470 0.006 0.000 0.602 285 S C 1.210 175.731 174.600 -0.132 0.000 1.939 285 S CA 1.994 60.149 58.200 -0.075 0.000 4.230 285 S CB -1.376 61.794 63.200 -0.050 0.000 0.245 285 S HN 0.704 nan 8.310 nan 0.000 0.530 286 N N 1.541 120.153 118.700 -0.147 0.000 2.398 286 N HA 0.186 4.930 4.740 0.006 0.000 0.188 286 N C 1.597 176.942 175.510 -0.275 0.000 1.122 286 N CA 0.581 53.526 53.050 -0.174 0.000 0.866 286 N CB -0.374 38.046 38.487 -0.113 0.000 0.970 286 N HN 0.409 nan 8.380 nan 0.000 0.462 287 I N 2.589 122.932 120.570 -0.378 0.000 2.151 287 I HA -0.200 3.974 4.170 0.006 0.000 0.243 287 I C -0.477 175.318 176.117 -0.535 0.000 1.080 287 I CA 1.701 62.636 61.300 -0.608 0.000 1.339 287 I CB -1.936 35.424 38.000 -1.066 0.000 1.039 287 I HN 0.068 nan 8.210 nan 0.000 0.409 288 P HA -0.195 nan 4.420 nan 0.000 0.211 288 P C 2.068 179.138 177.300 -0.384 0.000 1.179 288 P CA 1.502 64.434 63.100 -0.280 0.000 0.910 288 P CB -0.162 31.426 31.700 -0.187 0.000 0.785 289 I N 0.607 120.931 120.570 -0.409 0.000 2.145 289 I HA -0.265 3.909 4.170 0.006 0.000 0.244 289 I C 2.323 178.051 176.117 -0.648 0.000 1.075 289 I CA 1.557 62.506 61.300 -0.585 0.000 1.332 289 I CB -0.976 36.772 38.000 -0.420 0.000 1.033 289 I HN -0.100 nan 8.210 nan 0.000 0.410 290 I N -2.348 117.994 120.570 -0.380 0.000 2.394 290 I HA -0.165 4.009 4.170 0.006 0.000 0.251 290 I C 2.060 177.952 176.117 -0.374 0.000 1.136 290 I CA 1.464 62.614 61.300 -0.249 0.000 1.425 290 I CB -0.892 37.001 38.000 -0.178 0.000 1.079 290 I HN 0.108 nan 8.210 nan 0.000 0.425 291 L N 1.253 122.130 121.223 -0.576 0.000 2.056 291 L HA -0.121 4.223 4.340 0.006 0.000 0.207 291 L C 2.876 179.189 176.870 -0.928 0.000 1.078 291 L CA 2.459 56.781 54.840 -0.863 0.000 0.749 291 L CB -1.250 40.055 42.059 -1.257 0.000 0.901 291 L HN 0.663 nan 8.230 nan 0.000 0.433 292 T N -2.952 111.162 114.554 -0.733 0.000 2.821 292 T HA -0.187 4.167 4.350 0.006 0.000 0.267 292 T C 1.868 176.122 174.700 -0.742 0.000 1.046 292 T CA 0.968 62.686 62.100 -0.637 0.000 1.139 292 T CB -0.457 67.975 68.868 -0.726 0.000 0.871 292 T HN 0.091 nan 8.240 nan 0.000 0.454 293 F N 2.108 121.695 119.950 -0.605 0.000 2.293 293 F HA 0.355 4.887 4.527 0.007 0.000 0.300 293 F C 2.851 178.504 175.800 -0.245 0.000 1.086 293 F CA -0.204 57.524 58.000 -0.454 0.000 1.375 293 F CB -1.287 37.457 39.000 -0.427 0.000 1.045 293 F HN 0.351 nan 8.300 nan 0.000 0.516 294 A N 0.129 122.887 122.820 -0.104 0.000 1.872 294 A HA -0.106 4.218 4.320 0.006 0.000 0.214 294 A C 2.225 179.783 177.584 -0.044 0.000 1.187 294 A CA 1.375 53.364 52.037 -0.079 0.000 0.614 294 A CB -1.102 17.798 19.000 -0.166 0.000 0.826 294 A HN 0.383 nan 8.150 nan 0.000 0.442 295 L N -2.002 119.158 121.223 -0.106 0.000 2.046 295 L HA -0.159 4.185 4.340 0.006 0.000 0.208 295 L C 2.313 179.237 176.870 0.090 0.000 1.077 295 L CA 1.873 56.692 54.840 -0.034 0.000 0.747 295 L CB -0.502 41.547 42.059 -0.016 0.000 0.896 295 L HN 0.381 nan 8.230 nan 0.000 0.432 296 Y N 0.430 120.680 120.300 -0.083 0.000 2.274 296 Y HA -0.113 4.440 4.550 0.006 0.000 0.290 296 Y C 2.637 178.564 175.900 0.046 0.000 1.145 296 Y CA 0.579 58.669 58.100 -0.018 0.000 1.203 296 Y CB -1.155 37.337 38.460 0.053 0.000 0.984 296 Y HN 0.386 nan 8.280 nan 0.000 0.533 297 A N -0.174 122.777 122.820 0.219 0.000 1.970 297 A HA -0.116 4.208 4.320 0.006 0.000 0.216 297 A C 2.179 179.881 177.584 0.196 0.000 1.170 297 A CA 1.240 53.392 52.037 0.191 0.000 0.645 297 A CB -0.399 18.705 19.000 0.172 0.000 0.816 297 A HN 0.364 nan 8.150 nan 0.000 0.447 298 N N 0.327 119.112 118.700 0.142 0.000 2.109 298 N HA -0.056 4.688 4.740 0.006 0.000 0.188 298 N C 1.750 177.360 175.510 0.167 0.000 1.034 298 N CA 1.393 54.512 53.050 0.115 0.000 0.846 298 N CB -0.396 37.961 38.487 -0.217 0.000 1.010 298 N HN 0.487 nan 8.380 nan 0.000 0.425 299 I N 1.682 122.312 120.570 0.101 0.000 2.185 299 I HA -0.353 3.821 4.170 0.006 0.000 0.246 299 I C 2.587 178.824 176.117 0.200 0.000 1.088 299 I CA 1.566 62.964 61.300 0.163 0.000 1.347 299 I CB -0.254 37.853 38.000 0.179 0.000 1.041 299 I HN 0.290 nan 8.210 nan 0.000 0.415 300 Q N 0.620 120.524 119.800 0.172 0.000 2.311 300 Q HA -0.156 4.188 4.340 0.006 0.000 0.203 300 Q C 2.040 178.098 176.000 0.096 0.000 0.954 300 Q CA 1.178 57.074 55.803 0.155 0.000 0.885 300 Q CB -0.239 28.613 28.738 0.191 0.000 0.963 300 Q HN 0.452 nan 8.270 nan 0.000 0.471 301 L N -0.756 120.591 121.223 0.206 0.000 2.127 301 L HA 0.113 4.457 4.340 0.006 0.000 0.203 301 L C 1.801 178.748 176.870 0.128 0.000 1.080 301 L CA 1.266 56.209 54.840 0.172 0.000 0.768 301 L CB -0.390 41.853 42.059 0.308 0.000 0.924 301 L HN 0.390 nan 8.230 nan 0.000 0.444 302 W N -0.591 120.683 121.300 -0.044 0.000 2.525 302 W HA -0.069 4.597 4.660 0.011 0.000 0.259 302 W C 2.132 178.605 176.519 -0.078 0.000 1.253 302 W CA 0.593 57.920 57.345 -0.029 0.000 1.262 302 W CB -0.017 29.464 29.460 0.036 0.000 1.122 302 W HN 0.384 nan 8.180 nan 0.000 0.607 303 A N 0.310 123.147 122.820 0.029 0.000 1.935 303 A HA -0.131 4.193 4.320 0.006 0.000 0.214 303 A C 1.956 179.218 177.584 -0.536 0.000 1.178 303 A CA 1.133 53.071 52.037 -0.166 0.000 0.640 303 A CB -0.697 18.216 19.000 -0.145 0.000 0.825 303 A HN 0.212 nan 8.150 nan 0.000 0.447 304 R N -0.101 119.909 120.500 -0.817 0.000 2.075 304 R HA -0.084 4.260 4.340 0.006 0.000 0.232 304 R C 1.772 177.873 176.300 -0.331 0.000 1.126 304 R CA 1.830 57.442 56.100 -0.813 0.000 0.963 304 R CB -0.353 29.627 30.300 -0.533 0.000 0.858 304 R HN 0.271 nan 8.270 nan 0.000 0.435 305 V N 1.194 120.952 119.914 -0.260 0.000 2.270 305 V HA -0.214 3.910 4.120 0.006 0.000 0.245 305 V C 2.303 178.319 176.094 -0.129 0.000 1.043 305 V CA 1.449 63.628 62.300 -0.201 0.000 1.014 305 V CB -0.473 31.171 31.823 -0.299 0.000 0.645 305 V HN 0.266 nan 8.190 nan 0.000 0.447 306 L N 0.278 121.447 121.223 -0.090 0.000 2.187 306 L HA -0.198 4.146 4.340 0.006 0.000 0.213 306 L C 2.147 179.011 176.870 -0.011 0.000 1.100 306 L CA 2.063 56.899 54.840 -0.007 0.000 0.765 306 L CB -0.516 41.586 42.059 0.072 0.000 0.904 306 L HN 0.515 nan 8.230 nan 0.000 0.437 307 D N -0.476 119.891 120.400 -0.055 0.000 2.196 307 D HA -0.163 4.481 4.640 0.006 0.000 0.228 307 D C 1.078 177.374 176.300 -0.006 0.000 1.028 307 D CA 0.203 54.190 54.000 -0.021 0.000 0.924 307 D CB 0.153 40.958 40.800 0.008 0.000 1.025 307 D HN -0.057 nan 8.370 nan 0.000 0.438 308 R N 0.286 120.779 120.500 -0.012 0.000 4.559 308 R HA 0.213 4.557 4.340 0.006 0.000 0.177 308 R C 0.175 176.464 176.300 -0.018 0.000 1.875 308 R CA 0.232 56.331 56.100 -0.002 0.000 1.509 308 R CB -1.033 29.274 30.300 0.011 0.000 1.395 308 R HN 0.397 nan 8.270 nan 0.000 0.830 309 L N -2.172 119.047 121.223 -0.008 0.000 1.261 309 L HA 0.282 4.626 4.340 0.006 0.000 0.053 309 L C 0.798 177.678 176.870 0.017 0.000 1.547 309 L CA 0.756 55.592 54.840 -0.007 0.000 1.104 309 L CB -0.491 41.549 42.059 -0.032 0.000 2.208 309 L HN 0.391 nan 8.230 nan 0.000 0.434 310 G N -1.929 106.889 108.800 0.030 0.000 3.175 310 G HA2 0.298 4.262 3.960 0.006 0.000 0.153 310 G HA3 0.298 4.262 3.960 0.006 0.000 0.153 310 G C -1.289 173.682 174.900 0.118 0.000 1.216 310 G CA -0.198 44.947 45.100 0.074 0.000 0.943 310 G HN 0.260 nan 8.290 nan 0.000 0.611 311 H N 1.449 120.563 119.070 0.073 0.000 2.668 311 H HA 0.489 5.049 4.556 0.006 0.000 0.303 311 H C -2.215 173.205 175.328 0.153 0.000 1.074 311 H CA -1.707 54.409 56.048 0.114 0.000 1.406 311 H CB 1.496 31.343 29.762 0.141 0.000 1.442 311 H HN 0.032 nan 8.280 nan 0.000 0.482 312 P HA -0.023 nan 4.420 nan 0.000 0.268 312 P C 0.152 177.362 177.300 -0.149 0.000 1.541 312 P CA -0.051 62.953 63.100 -0.159 0.000 1.093 312 P CB 0.002 31.640 31.700 -0.105 0.000 1.551 313 W N 3.803 125.052 121.300 -0.085 0.000 2.525 313 W HA 0.001 4.664 4.660 0.005 0.000 0.288 313 W C 1.110 177.681 176.519 0.086 0.000 1.200 313 W CA 0.525 57.899 57.345 0.047 0.000 1.349 313 W CB -0.245 29.305 29.460 0.150 0.000 1.102 313 W HN 0.111 nan 8.180 nan 0.000 0.558 314 L N 0.676 122.088 121.223 0.316 0.000 2.131 314 L HA 0.020 4.363 4.340 0.006 0.000 0.210 314 L C 1.091 178.099 176.870 0.231 0.000 1.092 314 L CA 1.612 56.636 54.840 0.306 0.000 0.759 314 L CB -0.801 41.438 42.059 0.299 0.000 0.903 314 L HN 0.039 nan 8.230 nan 0.000 0.435 315 G N -1.109 107.773 108.800 0.136 0.000 2.351 315 G HA2 0.155 4.119 3.960 0.006 0.000 0.296 315 G HA3 0.155 4.119 3.960 0.006 0.000 0.296 315 G C -1.379 173.601 174.900 0.133 0.000 1.685 315 G CA -1.015 44.153 45.100 0.113 0.000 0.936 315 G HN -0.160 nan 8.290 nan 0.000 0.714 316 R N 0.676 121.222 120.500 0.077 0.000 2.345 316 R HA 0.347 4.691 4.340 0.006 0.000 0.331 316 R C -0.359 176.040 176.300 0.164 0.000 1.067 316 R CA 0.027 56.176 56.100 0.081 0.000 0.962 316 R CB -0.071 30.236 30.300 0.011 0.000 0.987 316 R HN 0.353 nan 8.270 nan 0.000 0.451 317 F N 4.449 124.383 119.950 -0.028 0.000 2.377 317 F HA 0.064 4.594 4.527 0.004 0.000 0.360 317 F C 0.716 176.501 175.800 -0.026 0.000 1.147 317 F CA -0.726 57.260 58.000 -0.024 0.000 1.170 317 F CB 0.381 39.375 39.000 -0.011 0.000 1.339 317 F HN 0.561 nan 8.300 nan 0.000 0.552 318 D N 6.566 126.960 120.400 -0.010 0.000 2.414 318 D HA 0.067 4.711 4.640 0.006 0.000 0.242 318 D C -2.360 173.933 176.300 -0.011 0.000 1.129 318 D CA -1.151 52.838 54.000 -0.017 0.000 0.885 318 D CB 1.225 41.993 40.800 -0.053 0.000 1.198 318 D HN 0.186 nan 8.370 nan 0.000 0.437 319 P HA 0.038 nan 4.420 nan 0.000 0.312 319 P C 0.123 177.413 177.300 -0.017 0.000 1.307 319 P CA 0.221 63.324 63.100 0.004 0.000 0.738 319 P CB -0.100 31.605 31.700 0.009 0.000 1.422 320 T N -4.985 109.560 114.554 -0.015 0.000 0.541 320 T HA -0.174 4.180 4.350 0.006 0.000 0.774 320 T C 0.883 175.563 174.700 -0.033 0.000 0.992 320 T CA 0.884 62.970 62.100 -0.023 0.000 4.077 320 T CB -2.990 65.864 68.868 -0.025 0.000 2.303 320 T HN 0.731 nan 8.240 nan 0.000 0.398 321 T N -1.326 113.206 114.554 -0.036 0.000 3.227 321 T HA 0.395 4.749 4.350 0.006 0.000 0.257 321 T C 1.251 175.915 174.700 -0.060 0.000 1.162 321 T CA 0.507 62.580 62.100 -0.045 0.000 1.051 321 T CB -0.852 67.991 68.868 -0.041 0.000 0.953 321 T HN 1.416 nan 8.240 nan 0.000 0.535 322 G N 1.691 110.452 108.800 -0.065 0.000 2.415 322 G HA2 0.411 4.375 3.960 0.006 0.000 0.269 322 G HA3 0.411 4.375 3.960 0.006 0.000 0.269 322 G C 0.093 174.923 174.900 -0.116 0.000 1.209 322 G CA -0.552 44.498 45.100 -0.083 0.000 0.835 322 G HN 0.487 nan 8.290 nan 0.000 0.534 323 S N 2.631 118.251 115.700 -0.134 0.000 2.589 323 S HA 0.196 4.670 4.470 0.006 0.000 0.306 323 S C -2.296 172.136 174.600 -0.280 0.000 1.221 323 S CA -1.013 57.075 58.200 -0.186 0.000 1.159 323 S CB 0.613 63.718 63.200 -0.159 0.000 0.990 323 S HN 0.326 nan 8.310 nan 0.000 0.514 324 P HA 0.449 nan 4.420 nan 0.000 0.275 324 P C -0.536 176.239 177.300 -0.874 0.000 1.276 324 P CA -0.329 62.392 63.100 -0.632 0.000 0.782 324 P CB -0.078 31.204 31.700 -0.697 0.000 0.851 325 I N -0.878 119.429 120.570 -0.438 0.000 2.787 325 I HA 0.691 4.865 4.170 0.006 0.000 0.294 325 I C -0.747 175.283 176.117 -0.145 0.000 1.365 325 I CA -0.783 60.347 61.300 -0.282 0.000 1.029 325 I CB 2.364 40.215 38.000 -0.247 0.000 1.313 325 I HN -0.012 nan 8.210 nan 0.000 0.431 326 S N 2.710 118.359 115.700 -0.085 0.000 2.944 326 S HA 0.565 5.039 4.470 0.006 0.000 0.151 326 S C -0.224 174.354 174.600 -0.038 0.000 0.679 326 S CA -0.276 57.883 58.200 -0.068 0.000 0.788 326 S CB 0.275 63.442 63.200 -0.054 0.000 1.439 326 S HN 1.538 nan 8.310 nan 0.000 0.533 327 G N 1.343 110.103 108.800 -0.066 0.000 2.609 327 G HA2 0.330 4.294 3.960 0.006 0.000 0.082 327 G HA3 0.330 4.294 3.960 0.006 0.000 0.082 327 G C -0.141 174.758 174.900 -0.002 0.000 1.075 327 G CA 0.002 45.094 45.100 -0.013 0.000 1.172 327 G HN 0.530 nan 8.290 nan 0.000 0.532 328 F N 1.463 121.412 119.950 -0.002 0.000 2.473 328 F HA 0.255 4.785 4.527 0.006 0.000 0.294 328 F C 2.468 178.302 175.800 0.056 0.000 1.103 328 F CA 1.608 59.689 58.000 0.135 0.000 1.442 328 F CB 0.025 39.143 39.000 0.197 0.000 1.097 328 F HN 0.070 nan 8.300 nan 0.000 0.547 329 V N 0.635 120.491 119.914 -0.097 0.000 2.453 329 V HA -0.311 3.813 4.120 0.006 0.000 0.252 329 V C 2.374 178.297 176.094 -0.285 0.000 1.068 329 V CA 1.396 63.610 62.300 -0.144 0.000 1.070 329 V CB -1.004 30.883 31.823 0.106 0.000 0.664 329 V HN 0.292 nan 8.190 nan 0.000 0.461 330 L N -0.931 120.057 121.223 -0.391 0.000 2.261 330 L HA -0.137 4.206 4.340 0.006 0.000 0.216 330 L C 1.880 178.428 176.870 -0.536 0.000 1.114 330 L CA 1.694 56.233 54.840 -0.501 0.000 0.777 330 L CB -0.962 40.717 42.059 -0.633 0.000 0.910 330 L HN 0.453 nan 8.230 nan 0.000 0.440 331 Y N -2.867 117.284 120.300 -0.247 0.000 2.532 331 Y HA 0.150 4.704 4.550 0.007 0.000 0.283 331 Y C 1.795 177.538 175.900 -0.262 0.000 1.181 331 Y CA -0.413 57.564 58.100 -0.204 0.000 1.256 331 Y CB 0.015 38.353 38.460 -0.204 0.000 1.112 331 Y HN -0.127 nan 8.280 nan 0.000 0.521 332 V N -0.135 119.625 119.914 -0.257 0.000 2.795 332 V HA 0.075 4.199 4.120 0.006 0.000 0.243 332 V C 0.368 176.431 176.094 -0.052 0.000 1.069 332 V CA 0.959 63.021 62.300 -0.397 0.000 1.089 332 V CB 0.453 31.980 31.823 -0.493 0.000 0.756 332 V HN 0.099 nan 8.190 nan 0.000 0.471 333 I N 1.527 122.025 120.570 -0.120 0.000 2.610 333 I HA 0.404 4.578 4.170 0.006 0.000 0.289 333 I C -2.899 173.018 176.117 -0.334 0.000 1.163 333 I CA -1.845 59.298 61.300 -0.263 0.000 1.044 333 I CB 2.129 40.088 38.000 -0.067 0.000 1.251 333 I HN 0.153 nan 8.210 nan 0.000 0.424 334 P HA 0.487 nan 4.420 nan 0.000 0.290 334 P C -2.686 174.536 177.300 -0.131 0.000 1.276 334 P CA -1.657 61.298 63.100 -0.241 0.000 0.808 334 P CB -0.024 31.555 31.700 -0.201 0.000 0.966 335 P HA 0.067 nan 4.420 nan 0.000 0.264 335 P C 0.152 177.427 177.300 -0.042 0.000 1.183 335 P CA 0.168 63.231 63.100 -0.062 0.000 0.763 335 P CB 0.332 32.000 31.700 -0.053 0.000 0.807 336 R N 3.037 123.519 120.500 -0.030 0.000 3.955 336 R HA 0.100 4.444 4.340 0.006 0.000 0.170 336 R C 0.000 176.282 176.300 -0.030 0.000 1.821 336 R CA 0.389 56.475 56.100 -0.024 0.000 1.329 336 R CB -0.956 29.322 30.300 -0.037 0.000 1.345 336 R HN 0.484 nan 8.270 nan 0.000 0.763 337 N N 0.446 119.120 118.700 -0.044 0.000 2.555 337 N HA 0.041 4.785 4.740 0.006 0.000 0.265 337 N C 0.052 175.451 175.510 -0.185 0.000 1.135 337 N CA -0.477 52.523 53.050 -0.085 0.000 0.925 337 N CB 1.521 40.046 38.487 0.064 0.000 1.662 337 N HN 0.079 nan 8.380 nan 0.000 0.489 338 I N 1.092 121.430 120.570 -0.386 0.000 2.676 338 I HA 0.006 4.180 4.170 0.006 0.000 0.259 338 I C 1.257 177.156 176.117 -0.363 0.000 1.194 338 I CA 1.167 62.227 61.300 -0.401 0.000 1.473 338 I CB -0.021 37.725 38.000 -0.423 0.000 1.096 338 I HN 0.452 nan 8.210 nan 0.000 0.443 339 F N 0.670 120.578 119.950 -0.071 0.000 2.216 339 F HA -0.163 4.368 4.527 0.006 0.000 0.300 339 F C 2.776 178.528 175.800 -0.081 0.000 1.085 339 F CA 1.258 59.219 58.000 -0.065 0.000 1.326 339 F CB -1.618 37.352 39.000 -0.050 0.000 1.027 339 F HN 0.191 nan 8.300 nan 0.000 0.497 340 S N -0.084 115.643 115.700 0.044 0.000 2.515 340 S HA -0.051 4.423 4.470 0.006 0.000 0.231 340 S C 1.775 176.317 174.600 -0.097 0.000 0.987 340 S CA 0.753 58.939 58.200 -0.023 0.000 0.936 340 S CB -1.023 62.153 63.200 -0.039 0.000 0.766 340 S HN 0.325 nan 8.310 nan 0.000 0.528 341 V N -2.067 117.741 119.914 -0.176 0.000 3.650 341 V HA 0.414 4.538 4.120 0.006 0.000 0.271 341 V C 1.515 177.519 176.094 -0.150 0.000 1.281 341 V CA 0.233 62.375 62.300 -0.263 0.000 1.120 341 V CB -0.746 30.716 31.823 -0.600 0.000 0.856 341 V HN 0.438 nan 8.190 nan 0.000 0.443 342 I N 0.243 120.769 120.570 -0.074 0.000 2.729 342 I HA 0.078 4.252 4.170 0.006 0.000 0.256 342 I C 2.178 178.298 176.117 0.004 0.000 1.115 342 I CA 0.944 62.236 61.300 -0.014 0.000 1.446 342 I CB -0.130 37.897 38.000 0.046 0.000 1.176 342 I HN 0.158 nan 8.210 nan 0.000 0.446 343 D N 0.880 121.288 120.400 0.014 0.000 2.097 343 D HA -0.152 4.492 4.640 0.006 0.000 0.195 343 D C 0.958 177.256 176.300 -0.004 0.000 0.989 343 D CA 1.432 55.437 54.000 0.008 0.000 0.827 343 D CB -0.233 40.573 40.800 0.010 0.000 0.966 343 D HN 0.090 nan 8.370 nan 0.000 0.456 344 N N -0.362 118.328 118.700 -0.016 0.000 2.790 344 N HA 0.134 4.878 4.740 0.006 0.000 0.256 344 N C -2.212 173.290 175.510 -0.014 0.000 1.409 344 N CA -1.547 51.498 53.050 -0.008 0.000 0.799 344 N CB 1.492 39.975 38.487 -0.006 0.000 1.170 344 N HN -0.136 nan 8.380 nan 0.000 0.507 345 P HA -0.042 nan 4.420 nan 0.000 0.225 345 P C 1.350 178.664 177.300 0.024 0.000 1.156 345 P CA 0.418 63.509 63.100 -0.015 0.000 0.787 345 P CB 0.890 32.585 31.700 -0.009 0.000 0.802 346 V N 2.044 121.982 119.914 0.041 0.000 2.270 346 V HA -0.211 3.913 4.120 0.006 0.000 0.245 346 V C 2.932 179.085 176.094 0.098 0.000 1.043 346 V CA 2.394 64.732 62.300 0.063 0.000 1.014 346 V CB -1.161 30.697 31.823 0.058 0.000 0.645 346 V HN 0.180 nan 8.190 nan 0.000 0.447 347 R N 1.194 121.767 120.500 0.122 0.000 2.237 347 R HA 0.025 4.369 4.340 0.006 0.000 0.219 347 R C 1.971 178.395 176.300 0.206 0.000 1.080 347 R CA 1.421 57.641 56.100 0.199 0.000 0.995 347 R CB -0.522 29.923 30.300 0.241 0.000 0.875 347 R HN 0.389 nan 8.270 nan 0.000 0.462 348 A N 1.803 124.706 122.820 0.139 0.000 1.897 348 A HA 0.007 4.331 4.320 0.006 0.000 0.215 348 A C 2.147 179.917 177.584 0.309 0.000 1.181 348 A CA 1.133 53.276 52.037 0.177 0.000 0.620 348 A CB -0.356 18.617 19.000 -0.044 0.000 0.821 348 A HN 0.343 nan 8.150 nan 0.000 0.443 349 I N -0.344 120.348 120.570 0.203 0.000 2.493 349 I HA -0.151 4.023 4.170 0.006 0.000 0.254 349 I C 2.153 178.371 176.117 0.169 0.000 1.160 349 I CA 0.596 62.007 61.300 0.185 0.000 1.445 349 I CB -0.363 37.708 38.000 0.119 0.000 1.086 349 I HN 0.105 nan 8.210 nan 0.000 0.433 350 V N 0.553 120.570 119.914 0.171 0.000 2.270 350 V HA -0.316 3.808 4.120 0.006 0.000 0.245 350 V C 2.388 178.607 176.094 0.208 0.000 1.043 350 V CA 2.074 64.455 62.300 0.136 0.000 1.014 350 V CB -0.789 31.088 31.823 0.090 0.000 0.645 350 V HN 0.417 nan 8.190 nan 0.000 0.447 351 Y N 0.189 120.597 120.300 0.180 0.000 2.114 351 Y HA -0.217 4.337 4.550 0.006 0.000 0.284 351 Y C 2.423 178.455 175.900 0.220 0.000 1.143 351 Y CA 1.739 59.965 58.100 0.211 0.000 1.135 351 Y CB -0.309 38.291 38.460 0.234 0.000 0.980 351 Y HN 0.098 nan 8.280 nan 0.000 0.499 352 L N 0.298 121.677 121.223 0.261 0.000 2.013 352 L HA -0.264 4.080 4.340 0.006 0.000 0.212 352 L C 2.287 179.164 176.870 0.012 0.000 1.073 352 L CA 2.277 57.185 54.840 0.114 0.000 0.753 352 L CB -0.955 41.242 42.059 0.231 0.000 0.890 352 L HN 0.466 nan 8.230 nan 0.000 0.432 353 I N -0.417 120.184 120.570 0.052 0.000 2.142 353 I HA -0.367 3.807 4.170 0.006 0.000 0.240 353 I C 2.638 178.757 176.117 0.003 0.000 1.078 353 I CA 1.025 62.333 61.300 0.013 0.000 1.343 353 I CB -0.235 37.778 38.000 0.022 0.000 1.046 353 I HN 0.252 nan 8.210 nan 0.000 0.405 354 L N 0.054 121.317 121.223 0.066 0.000 1.990 354 L HA -0.291 4.053 4.340 0.006 0.000 0.213 354 L C 2.664 179.687 176.870 0.254 0.000 1.072 354 L CA 2.138 57.095 54.840 0.194 0.000 0.755 354 L CB -1.258 40.986 42.059 0.308 0.000 0.889 354 L HN 0.350 nan 8.230 nan 0.000 0.432 355 T N -0.528 114.050 114.554 0.041 0.000 2.684 355 T HA -0.174 4.180 4.350 0.006 0.000 0.267 355 T C 1.965 176.576 174.700 -0.149 0.000 1.036 355 T CA 1.540 63.547 62.100 -0.156 0.000 1.148 355 T CB -0.434 68.187 68.868 -0.413 0.000 0.863 355 T HN 0.101 nan 8.240 nan 0.000 0.436 356 V N 1.489 121.317 119.914 -0.144 0.000 2.307 356 V HA -0.020 4.104 4.120 0.006 0.000 0.245 356 V C 1.625 177.613 176.094 -0.176 0.000 1.045 356 V CA 1.165 63.353 62.300 -0.186 0.000 1.024 356 V CB -0.621 31.090 31.823 -0.187 0.000 0.651 356 V HN 0.511 nan 8.190 nan 0.000 0.449 357 I N -0.640 119.846 120.570 -0.140 0.000 2.330 357 I HA 0.154 4.328 4.170 0.006 0.000 0.280 357 I C 0.539 176.475 176.117 -0.302 0.000 1.069 357 I CA 0.600 61.772 61.300 -0.214 0.000 1.873 357 I CB -0.487 37.387 38.000 -0.210 0.000 1.476 357 I HN 0.199 nan 8.210 nan 0.000 0.813 358 F N -0.483 119.361 119.950 -0.177 0.000 2.114 358 F HA -0.086 4.446 4.527 0.007 0.000 0.395 358 F C 2.108 177.822 175.800 -0.143 0.000 0.875 358 F CA 0.191 58.080 58.000 -0.185 0.000 0.973 358 F CB -0.187 38.743 39.000 -0.118 0.000 1.227 358 F HN -0.038 nan 8.300 nan 0.000 0.558 359 S N 0.766 116.471 115.700 0.009 0.000 2.356 359 S HA -0.120 4.354 4.470 0.006 0.000 0.223 359 S C 1.808 176.357 174.600 -0.086 0.000 1.032 359 S CA 1.423 59.575 58.200 -0.081 0.000 1.005 359 S CB -0.339 62.728 63.200 -0.222 0.000 0.867 359 S HN 0.115 nan 8.310 nan 0.000 0.449 360 L N 1.476 122.594 121.223 -0.175 0.000 2.131 360 L HA -0.028 4.316 4.340 0.006 0.000 0.210 360 L C 2.050 178.867 176.870 -0.088 0.000 1.092 360 L CA 1.245 55.968 54.840 -0.196 0.000 0.759 360 L CB -0.917 40.949 42.059 -0.321 0.000 0.903 360 L HN 0.278 nan 8.230 nan 0.000 0.435 361 L N -1.907 119.235 121.223 -0.135 0.000 2.027 361 L HA -0.174 4.170 4.340 0.006 0.000 0.206 361 L C 2.472 179.275 176.870 -0.111 0.000 1.074 361 L CA 1.843 56.572 54.840 -0.185 0.000 0.745 361 L CB -1.238 40.596 42.059 -0.376 0.000 0.898 361 L HN 0.213 nan 8.230 nan 0.000 0.433 362 F N -0.395 119.567 119.950 0.021 0.000 2.259 362 F HA -0.080 4.451 4.527 0.006 0.000 0.298 362 F C 2.407 178.226 175.800 0.032 0.000 1.088 362 F CA 0.707 58.718 58.000 0.018 0.000 1.358 362 F CB -0.534 38.426 39.000 -0.066 0.000 1.040 362 F HN 0.142 nan 8.300 nan 0.000 0.505 363 G N -0.804 108.093 108.800 0.161 0.000 2.484 363 G HA2 -0.329 3.635 3.960 0.006 0.000 0.215 363 G HA3 -0.329 3.635 3.960 0.006 0.000 0.215 363 G C 1.398 176.401 174.900 0.173 0.000 1.219 363 G CA 0.589 45.753 45.100 0.107 0.000 0.791 363 G HN 0.347 nan 8.290 nan 0.000 0.550 364 Y N 0.240 120.566 120.300 0.043 0.000 2.384 364 Y HA -0.042 4.512 4.550 0.006 0.000 0.289 364 Y C 2.486 178.422 175.900 0.059 0.000 1.152 364 Y CA 1.086 59.214 58.100 0.046 0.000 1.258 364 Y CB 0.041 38.511 38.460 0.016 0.000 0.979 364 Y HN 0.204 nan 8.280 nan 0.000 0.549 365 L N -0.726 120.613 121.223 0.194 0.000 1.993 365 L HA -0.183 4.161 4.340 0.006 0.000 0.206 365 L C 2.330 179.295 176.870 0.158 0.000 1.074 365 L CA 1.823 56.759 54.840 0.159 0.000 0.746 365 L CB -1.147 41.028 42.059 0.193 0.000 0.896 365 L HN 0.438 nan 8.230 nan 0.000 0.435 366 W N 0.338 121.651 121.300 0.021 0.000 2.331 366 W HA -0.218 4.446 4.660 0.006 0.000 0.291 366 W C 2.284 178.750 176.519 -0.088 0.000 1.214 366 W CA 2.905 60.234 57.345 -0.026 0.000 1.228 366 W CB -0.195 29.248 29.460 -0.028 0.000 1.135 366 W HN 0.343 nan 8.180 nan 0.000 0.537 367 V N -0.804 119.159 119.914 0.081 0.000 2.307 367 V HA -0.221 3.903 4.120 0.006 0.000 0.245 367 V C 1.884 177.890 176.094 -0.146 0.000 1.045 367 V CA 2.418 64.676 62.300 -0.070 0.000 1.024 367 V CB -1.115 30.663 31.823 -0.074 0.000 0.651 367 V HN -0.046 nan 8.190 nan 0.000 0.449 368 E N 0.261 120.366 120.200 -0.159 0.000 2.208 368 E HA -0.001 4.353 4.350 0.006 0.000 0.193 368 E C 1.799 178.319 176.600 -0.133 0.000 0.988 368 E CA 1.282 57.592 56.400 -0.150 0.000 0.828 368 E CB -0.142 29.466 29.700 -0.153 0.000 0.763 368 E HN 0.668 nan 8.360 nan 0.000 0.478 369 L N -0.504 120.633 121.223 -0.143 0.000 2.127 369 L HA 0.115 4.459 4.340 0.006 0.000 0.203 369 L C 0.196 176.890 176.870 -0.293 0.000 1.080 369 L CA 1.052 55.788 54.840 -0.174 0.000 0.768 369 L CB 0.190 42.175 42.059 -0.123 0.000 0.924 369 L HN -0.129 nan 8.230 nan 0.000 0.444 370 T N -0.188 114.088 114.554 -0.463 0.000 2.770 370 T HA 0.539 4.893 4.350 0.006 0.000 0.283 370 T C 0.942 175.410 174.700 -0.386 0.000 0.988 370 T CA -0.213 61.537 62.100 -0.583 0.000 0.957 370 T CB 1.152 69.294 68.868 -1.211 0.000 0.930 370 T HN 0.479 nan 8.240 nan 0.000 0.443 371 G N 3.149 111.795 108.800 -0.256 0.000 3.922 371 G HA2 -0.338 3.626 3.960 0.006 0.000 0.227 371 G HA3 -0.338 3.626 3.960 0.006 0.000 0.227 371 G C 0.271 175.104 174.900 -0.112 0.000 1.833 371 G CA 0.712 45.717 45.100 -0.158 0.000 1.954 371 G HN 0.666 nan 8.290 nan 0.000 0.832 372 L N 1.796 122.948 121.223 -0.118 0.000 2.516 372 L HA 0.242 4.586 4.340 0.006 0.000 0.288 372 L C 1.640 178.483 176.870 -0.045 0.000 1.246 372 L CA 1.868 56.678 54.840 -0.049 0.000 0.844 372 L CB 0.246 42.247 42.059 -0.096 0.000 1.106 372 L HN 0.756 nan 8.230 nan 0.000 0.509 373 D N 0.405 120.807 120.400 0.004 0.000 3.260 373 D HA -0.307 4.337 4.640 0.006 0.000 0.205 373 D C 1.315 177.596 176.300 -0.031 0.000 1.300 373 D CA 1.431 55.416 54.000 -0.025 0.000 2.160 373 D CB -0.787 39.971 40.800 -0.069 0.000 1.288 373 D HN 0.664 nan 8.370 nan 0.000 0.490 374 A N 1.092 123.885 122.820 -0.045 0.000 2.066 374 A HA -0.010 4.314 4.320 0.006 0.000 0.218 374 A C 2.186 179.746 177.584 -0.040 0.000 1.157 374 A CA 1.672 53.681 52.037 -0.047 0.000 0.670 374 A CB -0.548 18.417 19.000 -0.058 0.000 0.804 374 A HN 0.413 nan 8.150 nan 0.000 0.453 375 R N 0.278 120.763 120.500 -0.025 0.000 2.357 375 R HA -0.005 4.339 4.340 0.006 0.000 0.202 375 R C 1.086 177.354 176.300 -0.053 0.000 1.047 375 R CA 0.739 56.827 56.100 -0.018 0.000 1.034 375 R CB -0.265 30.059 30.300 0.041 0.000 0.875 375 R HN 0.478 nan 8.270 nan 0.000 0.473 376 S N 0.230 115.900 115.700 -0.049 0.000 2.547 376 S HA -0.051 4.423 4.470 0.006 0.000 0.235 376 S C 1.455 176.006 174.600 -0.082 0.000 0.980 376 S CA 0.497 58.657 58.200 -0.066 0.000 0.941 376 S CB -0.044 63.129 63.200 -0.044 0.000 0.763 376 S HN 0.303 nan 8.310 nan 0.000 0.532 377 I N 1.479 122.003 120.570 -0.077 0.000 2.146 377 I HA -0.102 4.072 4.170 0.006 0.000 0.231 377 I C 1.884 177.943 176.117 -0.097 0.000 1.063 377 I CA 0.759 62.015 61.300 -0.072 0.000 1.340 377 I CB -0.655 37.311 38.000 -0.057 0.000 1.100 377 I HN 0.292 nan 8.210 nan 0.000 0.403 378 A N 0.795 123.549 122.820 -0.109 0.000 2.744 378 A HA -0.210 4.114 4.320 0.006 0.000 0.300 378 A C 0.650 178.176 177.584 -0.095 0.000 1.512 378 A CA 1.689 53.647 52.037 -0.131 0.000 0.851 378 A CB -2.107 16.737 19.000 -0.259 0.000 0.987 378 A HN 0.721 nan 8.150 nan 0.000 0.507 389 P HA 0.500 nan 4.420 nan 0.000 0.411 389 P C 1.522 178.816 177.300 -0.009 0.000 1.133 389 P CA 1.439 64.534 63.100 -0.008 0.000 1.549 389 P CB 0.799 32.493 31.700 -0.009 0.000 1.380 390 G N -2.346 106.449 108.800 -0.008 0.000 2.776 390 G HA2 0.319 4.282 3.960 0.006 0.000 0.209 390 G HA3 0.319 4.282 3.960 0.006 0.000 0.209 390 G C 0.901 175.796 174.900 -0.008 0.000 1.145 390 G CA 1.873 46.968 45.100 -0.009 0.000 0.791 390 G HN 0.581 nan 8.290 nan 0.000 0.530 391 F N -1.100 118.845 119.950 -0.007 0.000 2.157 391 F HA 0.516 5.047 4.527 0.006 0.000 0.277 391 F C 2.524 178.321 175.800 -0.006 0.000 0.904 391 F CA 0.940 58.937 58.000 -0.006 0.000 1.121 391 F CB -0.273 38.724 39.000 -0.005 0.000 1.195 391 F HN 0.372 nan 8.300 nan 0.000 0.726 392 R N 1.000 121.497 120.500 -0.006 0.000 2.115 392 R HA 0.185 4.529 4.340 0.006 0.000 0.230 392 R C 2.098 178.393 176.300 -0.007 0.000 1.111 392 R CA 2.472 58.568 56.100 -0.005 0.000 0.976 392 R CB -1.672 28.626 30.300 -0.005 0.000 0.870 392 R HN 1.261 nan 8.270 nan 0.000 0.445 393 R N -0.597 119.897 120.500 -0.009 0.000 2.344 393 R HA 0.254 4.598 4.340 0.006 0.000 0.209 393 R C 2.257 178.548 176.300 -0.015 0.000 0.886 393 R CA 1.346 57.438 56.100 -0.012 0.000 1.040 393 R CB -1.465 28.827 30.300 -0.013 0.000 1.114 393 R HN 0.689 nan 8.270 nan 0.000 0.547 394 D N 0.576 120.968 120.400 -0.013 0.000 2.133 394 D HA 0.012 4.656 4.640 0.006 0.000 0.195 394 D C 0.354 176.644 176.300 -0.017 0.000 0.997 394 D CA 1.830 55.821 54.000 -0.015 0.000 0.840 394 D CB -1.306 39.487 40.800 -0.012 0.000 0.947 394 D HN 0.637 nan 8.370 nan 0.000 0.452 395 P HA 0.668 nan 4.420 nan 0.000 0.311 395 P C 1.016 178.306 177.300 -0.016 0.000 1.747 395 P CA 1.184 64.274 63.100 -0.016 0.000 1.333 395 P CB 0.154 31.847 31.700 -0.012 0.000 1.931 396 R N -0.206 120.283 120.500 -0.019 0.000 2.070 396 R HA 0.032 4.376 4.340 0.006 0.000 0.232 396 R C 2.402 178.688 176.300 -0.023 0.000 1.138 396 R CA 2.935 59.023 56.100 -0.019 0.000 0.936 396 R CB -1.957 28.330 30.300 -0.021 0.000 0.839 396 R HN 0.473 nan 8.270 nan 0.000 0.429 397 T N 0.207 114.739 114.554 -0.037 0.000 3.043 397 T HA 0.316 4.670 4.350 0.006 0.000 0.263 397 T C 1.923 176.599 174.700 -0.040 0.000 1.094 397 T CA 0.979 63.049 62.100 -0.051 0.000 1.127 397 T CB -0.086 68.731 68.868 -0.086 0.000 0.905 397 T HN 0.224 nan 8.240 nan 0.000 0.490 398 L N 1.516 122.721 121.223 -0.031 0.000 2.622 398 L HA 0.226 4.570 4.340 0.006 0.000 0.233 398 L C 1.732 178.595 176.870 -0.012 0.000 1.156 398 L CA 0.451 55.277 54.840 -0.023 0.000 0.866 398 L CB -0.358 41.688 42.059 -0.022 0.000 0.980 398 L HN 0.491 nan 8.230 nan 0.000 0.448 399 E N 0.937 121.133 120.200 -0.007 0.000 1.998 399 E HA 0.584 4.938 4.350 0.006 0.000 0.257 399 E C 0.152 176.759 176.600 0.012 0.000 1.038 399 E CA 0.263 56.666 56.400 0.005 0.000 0.869 399 E CB 0.085 29.789 29.700 0.006 0.000 1.135 399 E HN 0.353 nan 8.360 nan 0.000 0.430 408 Y N -0.715 119.696 120.300 0.184 0.000 2.571 408 Y HA 0.038 4.592 4.550 0.006 0.000 0.294 408 Y C 2.138 178.276 175.900 0.395 0.000 1.141 408 Y CA 0.399 58.669 58.100 0.282 0.000 1.308 408 Y CB -0.455 38.168 38.460 0.272 0.000 1.002 408 Y HN -0.063 nan 8.280 nan 0.000 0.551 409 V N -0.658 119.475 119.914 0.364 0.000 2.515 409 V HA -0.258 3.866 4.120 0.006 0.000 0.250 409 V C 2.114 178.297 176.094 0.150 0.000 1.058 409 V CA 2.321 64.745 62.300 0.206 0.000 1.064 409 V CB -0.557 31.327 31.823 0.102 0.000 0.675 409 V HN 0.446 nan 8.190 nan 0.000 0.461 410 T N -0.302 114.391 114.554 0.232 0.000 2.746 410 T HA -0.193 4.161 4.350 0.006 0.000 0.267 410 T C 1.561 176.367 174.700 0.176 0.000 1.039 410 T CA 2.038 64.275 62.100 0.229 0.000 1.142 410 T CB -0.317 68.692 68.868 0.235 0.000 0.866 410 T HN 0.518 nan 8.240 nan 0.000 0.444 411 F N 0.284 120.276 119.950 0.071 0.000 2.031 411 F HA -0.074 4.457 4.527 0.007 0.000 0.295 411 F C 1.731 177.394 175.800 -0.228 0.000 1.133 411 F CA 1.371 59.308 58.000 -0.104 0.000 1.188 411 F CB -0.430 38.472 39.000 -0.162 0.000 0.974 411 F HN 0.204 nan 8.300 nan 0.000 0.473 412 W N 0.279 121.676 121.300 0.161 0.000 2.525 412 W HA 0.087 4.751 4.660 0.007 0.000 0.259 412 W C 2.332 178.639 176.519 -0.354 0.000 1.253 412 W CA 0.849 58.170 57.345 -0.040 0.000 1.262 412 W CB -0.978 28.582 29.460 0.166 0.000 1.122 412 W HN 0.163 nan 8.180 nan 0.000 0.607 413 G N -1.280 107.368 108.800 -0.253 0.000 3.088 413 G HA2 0.069 4.033 3.960 0.006 0.000 0.212 413 G HA3 0.069 4.033 3.960 0.006 0.000 0.212 413 G C 1.100 175.884 174.900 -0.193 0.000 1.173 413 G CA 0.527 45.431 45.100 -0.327 0.000 0.779 413 G HN 0.160 nan 8.290 nan 0.000 0.540 414 S N -0.952 114.619 115.700 -0.215 0.000 2.691 414 S HA 0.140 4.614 4.470 0.006 0.000 0.258 414 S C 1.676 176.097 174.600 -0.299 0.000 1.078 414 S CA -0.368 57.692 58.200 -0.233 0.000 1.000 414 S CB 0.171 63.245 63.200 -0.210 0.000 0.942 414 S HN 0.222 nan 8.310 nan 0.000 0.521 415 L N 2.226 123.220 121.223 -0.382 0.000 2.068 415 L HA -0.037 4.307 4.340 0.006 0.000 0.204 415 L C 2.595 179.330 176.870 -0.225 0.000 1.076 415 L CA 1.957 56.555 54.840 -0.404 0.000 0.753 415 L CB -0.541 41.126 42.059 -0.654 0.000 0.910 415 L HN 0.485 nan 8.230 nan 0.000 0.439 416 T N -3.930 110.532 114.554 -0.154 0.000 2.777 416 T HA -0.152 4.202 4.350 0.006 0.000 0.266 416 T C 1.875 176.444 174.700 -0.219 0.000 1.040 416 T CA 1.226 63.211 62.100 -0.193 0.000 1.141 416 T CB -0.956 67.720 68.868 -0.321 0.000 0.868 416 T HN 0.131 nan 8.240 nan 0.000 0.444 417 V N 1.953 121.749 119.914 -0.195 0.000 2.324 417 V HA -0.138 3.986 4.120 0.006 0.000 0.250 417 V C 3.141 179.137 176.094 -0.163 0.000 1.060 417 V CA 2.011 64.213 62.300 -0.163 0.000 1.042 417 V CB -1.252 30.476 31.823 -0.158 0.000 0.650 417 V HN 0.724 nan 8.190 nan 0.000 0.450 418 A N -1.196 121.502 122.820 -0.203 0.000 1.872 418 A HA -0.098 4.226 4.320 0.006 0.000 0.214 418 A C 2.088 179.575 177.584 -0.162 0.000 1.187 418 A CA 1.587 53.492 52.037 -0.220 0.000 0.614 418 A CB -0.528 18.311 19.000 -0.268 0.000 0.826 418 A HN 0.447 nan 8.150 nan 0.000 0.442 419 L N -0.929 120.206 121.223 -0.146 0.000 2.012 419 L HA -0.119 4.224 4.340 0.006 0.000 0.210 419 L C 2.138 178.957 176.870 -0.086 0.000 1.073 419 L CA 1.363 56.140 54.840 -0.105 0.000 0.748 419 L CB -0.279 41.736 42.059 -0.074 0.000 0.891 419 L HN 0.401 nan 8.230 nan 0.000 0.431 420 I N -1.137 119.380 120.570 -0.087 0.000 3.444 420 I HA -0.042 4.131 4.170 0.006 0.000 0.287 420 I C 1.930 178.038 176.117 -0.014 0.000 1.302 420 I CA 0.703 61.975 61.300 -0.047 0.000 1.368 420 I CB -0.342 37.627 38.000 -0.053 0.000 1.048 420 I HN 0.173 nan 8.210 nan 0.000 0.487 421 A N -1.033 121.778 122.820 -0.015 0.000 1.920 421 A HA 0.064 4.388 4.320 0.006 0.000 0.209 421 A C 2.198 179.828 177.584 0.077 0.000 1.229 421 A CA 0.979 53.058 52.037 0.071 0.000 0.671 421 A CB -0.649 18.408 19.000 0.096 0.000 0.886 421 A HN 0.140 nan 8.150 nan 0.000 0.461 422 V N 0.664 120.568 119.914 -0.017 0.000 2.244 422 V HA -0.190 3.934 4.120 0.006 0.000 0.244 422 V C 2.482 178.316 176.094 -0.432 0.000 1.042 422 V CA 1.571 63.780 62.300 -0.152 0.000 1.006 422 V CB -0.807 30.902 31.823 -0.190 0.000 0.641 422 V HN 0.439 nan 8.190 nan 0.000 0.446 423 L N 0.328 121.353 121.223 -0.330 0.000 2.081 423 L HA -0.209 4.135 4.340 0.006 0.000 0.212 423 L C 2.701 179.534 176.870 -0.061 0.000 1.080 423 L CA 2.488 57.196 54.840 -0.220 0.000 0.754 423 L CB -1.891 40.141 42.059 -0.046 0.000 0.893 423 L HN 0.420 nan 8.230 nan 0.000 0.433 424 A N -0.255 122.552 122.820 -0.022 0.000 1.902 424 A HA -0.235 4.089 4.320 0.006 0.000 0.217 424 A C 2.022 179.637 177.584 0.050 0.000 1.181 424 A CA 1.977 54.035 52.037 0.035 0.000 0.623 424 A CB -0.641 18.388 19.000 0.048 0.000 0.818 424 A HN 0.383 nan 8.150 nan 0.000 0.443 425 D N -0.994 119.434 120.400 0.047 0.000 2.144 425 D HA -0.102 4.542 4.640 0.006 0.000 0.199 425 D C 1.564 177.986 176.300 0.203 0.000 0.984 425 D CA 1.127 55.188 54.000 0.102 0.000 0.834 425 D CB -0.254 40.640 40.800 0.157 0.000 0.955 425 D HN 0.394 nan 8.370 nan 0.000 0.465 426 F N 0.523 120.505 119.950 0.053 0.000 2.102 426 F HA -0.051 4.480 4.527 0.006 0.000 0.298 426 F C 2.142 177.929 175.800 -0.022 0.000 1.105 426 F CA 0.639 58.647 58.000 0.013 0.000 1.239 426 F CB -1.117 37.906 39.000 0.038 0.000 0.991 426 F HN 0.018 nan 8.300 nan 0.000 0.474 427 L N -0.562 120.771 121.223 0.183 0.000 2.275 427 L HA 0.027 4.371 4.340 0.006 0.000 0.215 427 L C 1.481 178.372 176.870 0.035 0.000 1.119 427 L CA 0.917 55.808 54.840 0.084 0.000 0.790 427 L CB -1.219 40.886 42.059 0.077 0.000 0.919 427 L HN 0.393 nan 8.230 nan 0.000 0.443 428 G N 0.712 109.536 108.800 0.039 0.000 2.341 428 G HA2 -0.160 3.804 3.960 0.006 0.000 0.278 428 G HA3 -0.160 3.804 3.960 0.006 0.000 0.278 428 G C 0.202 175.096 174.900 -0.010 0.000 1.111 428 G CA -0.049 45.051 45.100 -0.001 0.000 0.982 428 G HN 0.525 nan 8.290 nan 0.000 0.502 429 A N -0.351 122.472 122.820 0.006 0.000 2.425 429 A HA 0.731 5.055 4.320 0.006 0.000 0.249 429 A C 1.597 179.170 177.584 -0.018 0.000 1.084 429 A CA 0.312 52.350 52.037 0.002 0.000 0.781 429 A CB 0.423 19.438 19.000 0.025 0.000 1.019 429 A HN 0.875 nan 8.150 nan 0.000 0.490 430 L N 2.762 123.971 121.223 -0.022 0.000 2.017 430 L HA -0.150 4.194 4.340 0.006 0.000 0.208 430 L C 2.822 179.674 176.870 -0.030 0.000 1.073 430 L CA 1.831 56.651 54.840 -0.033 0.000 0.745 430 L CB -0.687 41.352 42.059 -0.033 0.000 0.894 430 L HN 0.945 nan 8.230 nan 0.000 0.432 431 G N -2.230 106.565 108.800 -0.009 0.000 2.514 431 G HA2 -0.322 3.642 3.960 0.006 0.000 0.217 431 G HA3 -0.322 3.642 3.960 0.006 0.000 0.217 431 G C 1.145 176.026 174.900 -0.032 0.000 1.198 431 G CA 1.646 46.746 45.100 0.001 0.000 0.780 431 G HN 0.399 nan 8.290 nan 0.000 0.565 432 T N -3.224 111.307 114.554 -0.038 0.000 5.254 432 T HA 0.144 4.498 4.350 0.006 0.000 0.266 432 T C 1.561 176.272 174.700 0.018 0.000 2.221 432 T CA 1.441 63.487 62.100 -0.090 0.000 3.808 432 T CB -1.475 67.231 68.868 -0.270 0.000 0.117 432 T HN 2.073 nan 8.240 nan 0.000 0.265 433 G N 0.571 109.406 108.800 0.058 0.000 4.754 433 G HA2 -0.424 3.540 3.960 0.006 0.000 0.222 433 G HA3 -0.424 3.540 3.960 0.006 0.000 0.222 433 G C 1.164 176.141 174.900 0.129 0.000 1.377 433 G CA 1.262 46.422 45.100 0.100 0.000 0.942 433 G HN 0.957 nan 8.290 nan 0.000 0.671 434 T N 1.610 116.295 114.554 0.219 0.000 2.708 434 T HA 0.082 4.436 4.350 0.006 0.000 0.266 434 T C 2.489 177.272 174.700 0.138 0.000 1.037 434 T CA 2.452 64.695 62.100 0.239 0.000 1.146 434 T CB -0.908 68.246 68.868 0.475 0.000 0.865 434 T HN 1.144 nan 8.240 nan 0.000 0.435 435 G N 1.206 110.067 108.800 0.102 0.000 2.440 435 G HA2 -0.170 3.794 3.960 0.006 0.000 0.218 435 G HA3 -0.170 3.794 3.960 0.006 0.000 0.218 435 G C 1.522 176.461 174.900 0.064 0.000 1.154 435 G CA 0.685 45.820 45.100 0.059 0.000 0.767 435 G HN 0.499 nan 8.290 nan 0.000 0.552 436 I N -0.003 120.610 120.570 0.072 0.000 2.252 436 I HA -0.069 4.105 4.170 0.006 0.000 0.245 436 I C 2.678 178.839 176.117 0.074 0.000 1.102 436 I CA 0.471 61.826 61.300 0.091 0.000 1.385 436 I CB -0.179 37.883 38.000 0.103 0.000 1.064 436 I HN 0.097 nan 8.210 nan 0.000 0.414 437 L N 0.037 121.295 121.223 0.059 0.000 2.046 437 L HA -0.224 4.120 4.340 0.006 0.000 0.208 437 L C 2.444 179.332 176.870 0.030 0.000 1.077 437 L CA 1.495 56.356 54.840 0.035 0.000 0.747 437 L CB -0.399 41.676 42.059 0.027 0.000 0.896 437 L HN 0.211 nan 8.230 nan 0.000 0.432 438 L N -1.356 119.889 121.223 0.036 0.000 1.994 438 L HA -0.213 4.131 4.340 0.006 0.000 0.208 438 L C 2.579 179.467 176.870 0.031 0.000 1.071 438 L CA 1.779 56.633 54.840 0.022 0.000 0.745 438 L CB -0.932 41.139 42.059 0.021 0.000 0.892 438 L HN 0.279 nan 8.230 nan 0.000 0.431 439 T N -0.704 113.879 114.554 0.048 0.000 2.652 439 T HA -0.176 4.178 4.350 0.006 0.000 0.267 439 T C 1.957 176.714 174.700 0.095 0.000 1.039 439 T CA 1.538 63.675 62.100 0.061 0.000 1.153 439 T CB -0.483 68.433 68.868 0.079 0.000 0.863 439 T HN 0.057 nan 8.240 nan 0.000 0.428 440 V N 1.682 121.660 119.914 0.106 0.000 2.343 440 V HA -0.119 4.005 4.120 0.006 0.000 0.247 440 V C 2.915 179.091 176.094 0.136 0.000 1.051 440 V CA 1.928 64.296 62.300 0.114 0.000 1.036 440 V CB -1.568 30.247 31.823 -0.015 0.000 0.654 440 V HN 0.628 nan 8.190 nan 0.000 0.451 441 G N 0.760 109.611 108.800 0.085 0.000 2.491 441 G HA2 -0.237 3.726 3.960 0.006 0.000 0.218 441 G HA3 -0.237 3.726 3.960 0.006 0.000 0.218 441 G C 1.445 176.425 174.900 0.133 0.000 1.180 441 G CA 1.279 46.433 45.100 0.091 0.000 0.774 441 G HN 0.386 nan 8.290 nan 0.000 0.562 442 I N 0.558 121.181 120.570 0.090 0.000 2.099 442 I HA -0.124 4.050 4.170 0.006 0.000 0.239 442 I C 2.859 179.059 176.117 0.139 0.000 1.066 442 I CA 0.977 62.319 61.300 0.070 0.000 1.324 442 I CB -1.445 36.549 38.000 -0.011 0.000 1.037 442 I HN 0.079 nan 8.210 nan 0.000 0.401 443 L N -0.461 120.852 121.223 0.149 0.000 2.046 443 L HA -0.243 4.101 4.340 0.006 0.000 0.208 443 L C 2.665 179.772 176.870 0.395 0.000 1.077 443 L CA 1.713 56.687 54.840 0.223 0.000 0.747 443 L CB -0.980 41.189 42.059 0.184 0.000 0.896 443 L HN 0.131 nan 8.230 nan 0.000 0.432 444 Y N -0.230 120.226 120.300 0.259 0.000 2.163 444 Y HA -0.208 4.346 4.550 0.006 0.000 0.288 444 Y C 2.700 178.743 175.900 0.238 0.000 1.136 444 Y CA 1.429 59.729 58.100 0.332 0.000 1.147 444 Y CB 0.015 38.605 38.460 0.216 0.000 0.987 444 Y HN -0.035 nan 8.280 nan 0.000 0.509 445 R N -0.642 120.069 120.500 0.350 0.000 2.193 445 R HA -0.181 4.163 4.340 0.006 0.000 0.229 445 R C 2.070 178.466 176.300 0.160 0.000 1.110 445 R CA 1.306 57.526 56.100 0.199 0.000 0.988 445 R CB -0.809 29.587 30.300 0.160 0.000 0.871 445 R HN 0.440 nan 8.270 nan 0.000 0.458 446 F N 0.211 120.204 119.950 0.071 0.000 2.219 446 F HA -0.194 4.338 4.527 0.007 0.000 0.294 446 F C 2.185 178.034 175.800 0.082 0.000 1.086 446 F CA 0.971 59.004 58.000 0.054 0.000 1.330 446 F CB -0.424 38.609 39.000 0.054 0.000 1.047 446 F HN 0.023 nan 8.300 nan 0.000 0.495 447 Y N 0.547 120.877 120.300 0.050 0.000 2.373 447 Y HA 0.022 4.576 4.550 0.006 0.000 0.293 447 Y C 2.119 177.925 175.900 -0.156 0.000 1.129 447 Y CA 1.556 59.605 58.100 -0.085 0.000 1.226 447 Y CB -0.947 37.490 38.460 -0.037 0.000 1.000 447 Y HN 0.214 nan 8.280 nan 0.000 0.549 448 E N 0.115 119.968 120.200 -0.578 0.000 2.106 448 E HA -0.193 4.161 4.350 0.006 0.000 0.192 448 E C 2.025 178.451 176.600 -0.290 0.000 0.984 448 E CA 1.006 57.079 56.400 -0.545 0.000 0.806 448 E CB -0.013 29.509 29.700 -0.297 0.000 0.750 448 E HN 0.487 nan 8.360 nan 0.000 0.458 449 E N 0.367 120.441 120.200 -0.209 0.000 2.158 449 E HA -0.116 4.238 4.350 0.006 0.000 0.191 449 E C 1.973 178.459 176.600 -0.191 0.000 0.982 449 E CA 0.361 56.660 56.400 -0.169 0.000 0.823 449 E CB 0.207 29.828 29.700 -0.132 0.000 0.766 449 E HN 0.252 nan 8.360 nan 0.000 0.468 450 I N 0.852 121.275 120.570 -0.245 0.000 2.252 450 I HA -0.165 4.009 4.170 0.006 0.000 0.245 450 I C 2.475 178.530 176.117 -0.103 0.000 1.102 450 I CA 0.979 62.174 61.300 -0.174 0.000 1.385 450 I CB -1.566 36.335 38.000 -0.165 0.000 1.064 450 I HN -0.042 nan 8.210 nan 0.000 0.414 451 A N 1.939 124.684 122.820 -0.125 0.000 1.933 451 A HA -0.213 4.111 4.320 0.006 0.000 0.218 451 A C 2.448 179.986 177.584 -0.077 0.000 1.175 451 A CA 1.784 53.762 52.037 -0.099 0.000 0.628 451 A CB -0.593 18.306 19.000 -0.169 0.000 0.814 451 A HN 0.563 nan 8.150 nan 0.000 0.444 452 R N -1.076 119.367 120.500 -0.094 0.000 2.119 452 R HA 0.023 4.367 4.340 0.006 0.000 0.222 452 R C 1.839 178.119 176.300 -0.034 0.000 1.088 452 R CA 1.207 57.273 56.100 -0.056 0.000 0.984 452 R CB -0.392 29.868 30.300 -0.066 0.000 0.884 452 R HN 0.354 nan 8.270 nan 0.000 0.447 453 E N 1.239 121.409 120.200 -0.050 0.000 2.153 453 E HA -0.215 4.139 4.350 0.006 0.000 0.194 453 E C 1.649 178.244 176.600 -0.008 0.000 0.988 453 E CA 1.471 57.850 56.400 -0.036 0.000 0.811 453 E CB 0.160 29.830 29.700 -0.050 0.000 0.746 453 E HN 0.435 nan 8.360 nan 0.000 0.466 454 Q N 0.003 119.798 119.800 -0.008 0.000 2.096 454 Q HA 0.010 4.354 4.340 0.006 0.000 0.197 454 Q C 2.051 178.071 176.000 0.034 0.000 0.964 454 Q CA 0.700 56.507 55.803 0.008 0.000 0.838 454 Q CB -0.092 28.644 28.738 -0.004 0.000 0.906 454 Q HN 0.202 nan 8.270 nan 0.000 0.444 455 I N -0.012 120.584 120.570 0.043 0.000 3.176 455 I HA -0.143 4.031 4.170 0.006 0.000 0.275 455 I C 1.411 177.660 176.117 0.218 0.000 1.298 455 I CA 1.184 62.534 61.300 0.085 0.000 1.445 455 I CB 0.095 38.132 38.000 0.063 0.000 1.075 455 I HN 0.311 nan 8.210 nan 0.000 0.482 456 T N -3.422 111.247 114.554 0.193 0.000 2.990 456 T HA 0.070 4.424 4.350 0.006 0.000 0.250 456 T C 1.555 176.386 174.700 0.217 0.000 1.041 456 T CA 0.460 62.720 62.100 0.267 0.000 1.010 456 T CB -0.188 68.681 68.868 0.000 0.000 1.003 456 T HN 0.435 nan 8.240 nan 0.000 0.499 457 E N 1.811 122.084 120.200 0.121 0.000 2.204 457 E HA 0.018 4.372 4.350 0.006 0.000 0.194 457 E C 2.015 178.673 176.600 0.097 0.000 0.989 457 E CA 0.903 57.352 56.400 0.082 0.000 0.824 457 E CB -0.612 29.112 29.700 0.040 0.000 0.756 457 E HN 0.453 nan 8.360 nan 0.000 0.477 458 M N -0.408 119.254 119.600 0.104 0.000 2.349 458 M HA 0.074 4.558 4.480 0.006 0.000 0.266 458 M C 1.331 177.663 176.300 0.054 0.000 1.076 458 M CA 0.801 56.130 55.300 0.047 0.000 1.126 458 M CB -0.204 32.388 32.600 -0.014 0.000 1.392 458 M HN 0.061 nan 8.290 nan 0.000 0.440 459 F N 0.827 120.772 119.950 -0.010 0.000 2.063 459 F HA -0.266 4.265 4.527 0.007 0.000 0.297 459 F C -0.394 175.400 175.800 -0.009 0.000 1.099 459 F CA 2.261 60.250 58.000 -0.018 0.000 1.220 459 F CB -2.072 36.910 39.000 -0.030 0.000 0.972 459 F HN 0.150 nan 8.300 nan 0.000 0.487 460 P HA -0.135 nan 4.420 nan 0.000 0.215 460 P C 1.433 178.778 177.300 0.074 0.000 1.157 460 P CA 2.099 65.261 63.100 0.104 0.000 0.863 460 P CB -0.274 31.469 31.700 0.072 0.000 0.787 461 A N -0.704 122.152 122.820 0.060 0.000 1.930 461 A HA -0.133 4.191 4.320 0.006 0.000 0.217 461 A C 2.261 179.878 177.584 0.055 0.000 1.175 461 A CA 1.201 53.267 52.037 0.047 0.000 0.627 461 A CB -1.670 17.351 19.000 0.034 0.000 0.815 461 A HN 0.131 nan 8.150 nan 0.000 0.443 462 L N -0.198 121.054 121.223 0.048 0.000 2.141 462 L HA -0.171 4.173 4.340 0.006 0.000 0.209 462 L C 2.818 179.787 176.870 0.166 0.000 1.094 462 L CA 1.632 56.518 54.840 0.077 0.000 0.763 462 L CB -0.255 41.778 42.059 -0.042 0.000 0.908 462 L HN 0.603 nan 8.230 nan 0.000 0.437 463 R N -0.029 120.527 120.500 0.092 0.000 2.092 463 R HA -0.182 4.162 4.340 0.006 0.000 0.231 463 R C 2.002 178.391 176.300 0.148 0.000 1.119 463 R CA 1.424 57.586 56.100 0.103 0.000 0.970 463 R CB -0.292 30.049 30.300 0.068 0.000 0.864 463 R HN 0.271 nan 8.270 nan 0.000 0.440 464 K N 0.455 120.919 120.400 0.106 0.000 2.057 464 K HA -0.056 4.268 4.320 0.006 0.000 0.206 464 K C 1.061 177.709 176.600 0.079 0.000 1.050 464 K CA 0.963 57.297 56.287 0.079 0.000 0.935 464 K CB -0.061 32.470 32.500 0.052 0.000 0.715 464 K HN 0.102 nan 8.250 nan 0.000 0.439 465 L N 0.750 122.025 121.223 0.086 0.000 2.919 465 L HA 0.074 4.418 4.340 0.006 0.000 0.242 465 L C 0.031 176.889 176.870 -0.020 0.000 1.366 465 L CA 0.776 55.629 54.840 0.021 0.000 1.212 465 L CB -0.144 41.914 42.059 -0.001 0.000 1.604 465 L HN 0.103 nan 8.230 nan 0.000 0.433 466 F N -2.338 117.603 119.950 -0.015 0.000 2.841 466 F HA 0.201 4.732 4.527 0.007 0.000 0.410 466 F C 1.850 177.646 175.800 -0.006 0.000 0.898 466 F CA -0.062 57.930 58.000 -0.014 0.000 0.967 466 F CB 0.206 39.195 39.000 -0.019 0.000 1.227 466 F HN -0.025 nan 8.300 nan 0.000 0.570 467 G N 0.029 108.926 108.800 0.161 0.000 3.518 467 G HA2 0.509 4.473 3.960 0.006 0.000 0.273 467 G HA3 0.509 4.473 3.960 0.006 0.000 0.273 467 G C 0.505 175.433 174.900 0.047 0.000 1.199 467 G CA 0.824 45.980 45.100 0.093 0.000 0.899 467 G HN 0.406 nan 8.290 nan 0.000 0.533 468 A N -1.627 121.206 122.820 0.022 0.000 1.632 468 A HA 0.727 5.051 4.320 0.006 0.000 0.140 468 A C 1.275 178.836 177.584 -0.039 0.000 1.521 468 A CA 1.031 53.063 52.037 -0.008 0.000 1.881 468 A CB -0.303 18.689 19.000 -0.012 0.000 1.797 468 A HN 1.371 nan 8.150 nan 0.000 1.234 469 G N -1.656 107.093 108.800 -0.085 0.000 4.386 469 G HA2 0.225 4.189 3.960 0.006 0.000 0.185 469 G HA3 0.225 4.189 3.960 0.006 0.000 0.185 469 G C 0.657 175.423 174.900 -0.224 0.000 1.725 469 G CA 0.859 45.891 45.100 -0.113 0.000 0.941 469 G HN 1.375 nan 8.290 nan 0.000 0.315 470 T N 0.000 114.312 114.554 -0.404 0.000 3.816 470 T HA 0.000 4.354 4.350 0.006 0.000 0.228 470 T CA 0.000 61.642 62.100 -0.764 0.000 1.349 470 T CB 0.000 68.569 68.868 -0.499 0.000 0.612 470 T HN 0.000 nan 8.240 nan 0.000 0.658