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 2qv5_1_A DATA FIRST_RESID 148 DATA SEQUENCE LGQLPVVGAD GLRPMEQYAR PWSGARGTRV AIVVGGLGLS QTGSQKAIRD DATA SEQUENCE LPPEVTLGFA ASGNSLQRWM QDARREGHEI LLQIPLEPFG YPGTNPGPDT DATA SEQUENCE LLAGDPAKVN IDRLHRSMAK ITNYTGVMNY LGGRFLAEQS ALEPVMRDIG DATA SEQUENCE KRGLLFLDDG SSAQSLSGGI AKAISAPQGF ADVLLDGEVT EASILRKLDD DATA SEQUENCE LERIARRNGQ AIGVASAFDE SIAAISKWSR EAGGRGIEIV GVSALV 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 148 L HA 0.000 nan 4.340 nan 0.000 0.249 148 L C 0.000 176.858 176.870 -0.020 0.000 1.165 148 L CA 0.000 54.820 54.840 -0.034 0.000 0.813 148 L CB 0.000 42.036 42.059 -0.038 0.000 0.961 149 G N 1.674 110.468 108.800 -0.011 0.000 2.213 149 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.226 149 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.226 149 G C 0.007 174.903 174.900 -0.008 0.000 0.992 149 G CA 0.207 45.303 45.100 -0.006 0.000 0.632 149 G HN 0.679 nan 8.290 nan 0.000 0.511 150 Q N -0.092 119.699 119.800 -0.015 0.000 2.204 150 Q HA 0.722 5.061 4.340 -0.001 0.000 0.254 150 Q C 0.605 176.586 176.000 -0.032 0.000 0.981 150 Q CA -0.613 55.174 55.803 -0.026 0.000 0.897 150 Q CB 1.441 30.162 28.738 -0.028 0.000 1.273 150 Q HN 0.428 nan 8.270 nan 0.000 0.464 151 L N 2.376 123.562 121.223 -0.060 0.000 2.375 151 L HA 0.349 4.689 4.340 -0.001 0.000 0.271 151 L C -1.886 174.943 176.870 -0.069 0.000 1.107 151 L CA -1.900 52.894 54.840 -0.076 0.000 0.806 151 L CB 0.271 42.221 42.059 -0.183 0.000 1.146 151 L HN 0.296 nan 8.230 nan 0.000 0.447 152 P HA 0.187 nan 4.420 nan 0.000 0.271 152 P C -0.959 176.311 177.300 -0.050 0.000 1.216 152 P CA -0.159 62.887 63.100 -0.090 0.000 0.776 152 P CB 1.006 32.598 31.700 -0.180 0.000 0.881 153 V N 0.037 119.929 119.914 -0.035 0.000 3.078 153 V HA 0.462 4.581 4.120 -0.001 0.000 0.311 153 V C -0.159 175.923 176.094 -0.021 0.000 1.138 153 V CA -1.234 61.052 62.300 -0.024 0.000 1.007 153 V CB 1.749 33.557 31.823 -0.024 0.000 1.045 153 V HN 0.215 nan 8.190 nan 0.000 0.432 154 V N 2.471 122.375 119.914 -0.016 0.000 2.572 154 V HA 0.475 4.595 4.120 -0.001 0.000 0.291 154 V C 1.453 177.533 176.094 -0.023 0.000 1.039 154 V CA 1.007 63.295 62.300 -0.021 0.000 1.055 154 V CB 0.653 32.468 31.823 -0.013 0.000 0.969 154 V HN 1.286 nan 8.190 nan 0.000 0.482 155 G N 3.154 111.935 108.800 -0.032 0.000 2.716 155 G HA2 0.346 4.306 3.960 -0.001 0.000 0.251 155 G HA3 0.346 4.306 3.960 -0.001 0.000 0.251 155 G C 1.118 176.005 174.900 -0.022 0.000 1.224 155 G CA 0.071 45.153 45.100 -0.029 0.000 0.891 155 G HN 1.046 nan 8.290 nan 0.000 0.561 156 A N 0.052 122.860 122.820 -0.019 0.000 1.933 156 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 156 A C 1.948 179.522 177.584 -0.016 0.000 1.175 156 A CA 2.190 54.218 52.037 -0.015 0.000 0.628 156 A CB -0.365 18.627 19.000 -0.013 0.000 0.814 156 A HN 0.675 nan 8.150 nan 0.000 0.444 157 D N -2.188 118.200 120.400 -0.020 0.000 2.363 157 D HA 0.243 4.883 4.640 -0.001 0.000 0.220 157 D C 1.199 177.486 176.300 -0.021 0.000 0.994 157 D CA 1.054 55.041 54.000 -0.021 0.000 0.890 157 D CB -0.565 40.220 40.800 -0.024 0.000 0.906 157 D HN 0.843 nan 8.370 nan 0.000 0.530 158 G N -0.194 108.592 108.800 -0.022 0.000 2.176 158 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.232 158 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.232 158 G C -0.110 174.772 174.900 -0.030 0.000 0.986 158 G CA 0.047 45.134 45.100 -0.021 0.000 0.643 158 G HN 0.451 nan 8.290 nan 0.000 0.522 159 L N 1.750 122.948 121.223 -0.042 0.000 2.410 159 L HA 0.632 4.971 4.340 -0.001 0.000 0.273 159 L C 0.881 177.708 176.870 -0.072 0.000 1.152 159 L CA -0.129 54.673 54.840 -0.062 0.000 0.855 159 L CB 0.361 42.370 42.059 -0.083 0.000 1.129 159 L HN 0.280 nan 8.230 nan 0.000 0.463 160 R N 5.722 126.179 120.500 -0.072 0.000 2.486 160 R HA 0.321 4.660 4.340 -0.001 0.000 0.286 160 R C -1.680 174.557 176.300 -0.106 0.000 0.999 160 R CA -1.589 54.475 56.100 -0.060 0.000 0.993 160 R CB 0.657 30.941 30.300 -0.027 0.000 1.084 160 R HN 0.459 nan 8.270 nan 0.000 0.487 161 P HA -0.249 nan 4.420 nan 0.000 0.217 161 P C 1.244 178.537 177.300 -0.012 0.000 1.151 161 P CA 1.761 64.834 63.100 -0.046 0.000 0.849 161 P CB 0.019 31.743 31.700 0.040 0.000 0.787 162 M N -2.064 117.542 119.600 0.011 0.000 2.460 162 M HA -0.068 4.412 4.480 -0.001 0.000 0.263 162 M C 1.410 177.718 176.300 0.013 0.000 1.071 162 M CA 1.876 57.200 55.300 0.039 0.000 1.096 162 M CB -0.743 31.886 32.600 0.048 0.000 1.408 162 M HN -0.079 nan 8.290 nan 0.000 0.463 163 E N 0.619 120.794 120.200 -0.042 0.000 2.099 163 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 163 E C 2.152 178.674 176.600 -0.130 0.000 0.962 163 E CA 0.641 57.009 56.400 -0.053 0.000 0.826 163 E CB -0.098 29.569 29.700 -0.054 0.000 0.788 163 E HN 0.620 nan 8.360 nan 0.000 0.461 164 Q N -0.053 119.571 119.800 -0.294 0.000 2.124 164 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 164 Q C 0.648 176.317 176.000 -0.551 0.000 0.977 164 Q CA 1.393 56.873 55.803 -0.537 0.000 0.850 164 Q CB 0.172 28.364 28.738 -0.910 0.000 0.901 164 Q HN 0.331 nan 8.270 nan 0.000 0.429 165 Y N -1.155 119.138 120.300 -0.012 0.000 2.584 165 Y HA 0.448 4.997 4.550 -0.001 0.000 0.254 165 Y C 0.198 176.115 175.900 0.028 0.000 1.177 165 Y CA -0.409 57.690 58.100 -0.003 0.000 1.216 165 Y CB -0.009 38.434 38.460 -0.029 0.000 1.172 165 Y HN 0.009 nan 8.280 nan 0.000 0.529 166 A N 1.562 124.447 122.820 0.110 0.000 2.511 166 A HA 0.188 4.508 4.320 -0.001 0.000 0.242 166 A C 0.631 178.290 177.584 0.125 0.000 1.069 166 A CA -0.443 51.663 52.037 0.115 0.000 0.763 166 A CB 0.068 19.127 19.000 0.099 0.000 1.001 166 A HN 0.469 nan 8.150 nan 0.000 0.498 167 R N 3.051 123.632 120.500 0.135 0.000 2.347 167 R HA 0.307 4.647 4.340 -0.001 0.000 0.304 167 R C -2.415 173.995 176.300 0.183 0.000 1.072 167 R CA -1.262 54.918 56.100 0.134 0.000 0.980 167 R CB 0.162 30.534 30.300 0.118 0.000 0.986 167 R HN 0.472 nan 8.270 nan 0.000 0.448 168 P HA 0.049 nan 4.420 nan 0.000 0.269 168 P C -0.967 176.481 177.300 0.247 0.000 1.215 168 P CA -0.134 63.061 63.100 0.159 0.000 0.780 168 P CB 0.323 32.055 31.700 0.053 0.000 0.898 169 W N -0.050 121.258 121.300 0.013 0.000 3.060 169 W HA 0.354 5.014 4.660 -0.001 0.000 0.346 169 W C 0.811 177.335 176.519 0.009 0.000 1.194 169 W CA -0.509 56.844 57.345 0.013 0.000 1.105 169 W CB 0.171 29.643 29.460 0.021 0.000 1.487 169 W HN 0.421 nan 8.180 nan 0.000 0.592 170 S N -0.012 115.696 115.700 0.013 0.000 2.399 170 S HA 0.073 4.543 4.470 -0.001 0.000 0.231 170 S C 1.734 176.008 174.600 -0.544 0.000 1.022 170 S CA 2.214 60.304 58.200 -0.183 0.000 0.983 170 S CB -0.876 62.327 63.200 0.005 0.000 0.803 170 S HN 2.031 nan 8.310 nan 0.000 0.480 171 G N 0.944 108.958 108.800 -1.310 0.000 2.225 171 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.254 171 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.254 171 G C 0.288 174.887 174.900 -0.500 0.000 0.988 171 G CA 0.157 44.477 45.100 -1.300 0.000 0.625 171 G HN 1.398 nan 8.290 nan 0.000 0.527 172 A N 0.495 123.205 122.820 -0.183 0.000 2.351 172 A HA 0.702 5.022 4.320 -0.001 0.000 0.257 172 A C 0.861 178.555 177.584 0.183 0.000 1.087 172 A CA -0.023 52.029 52.037 0.026 0.000 0.798 172 A CB 0.284 19.303 19.000 0.032 0.000 1.033 172 A HN 0.527 nan 8.150 nan 0.000 0.488 173 R N 0.210 120.784 120.500 0.124 0.000 2.679 173 R HA 0.446 4.786 4.340 -0.001 0.000 0.268 173 R C 0.583 176.955 176.300 0.121 0.000 1.044 173 R CA 1.206 57.385 56.100 0.131 0.000 1.105 173 R CB 0.387 30.736 30.300 0.081 0.000 0.989 173 R HN 1.268 nan 8.270 nan 0.000 0.447 174 G N 0.450 109.316 108.800 0.111 0.000 2.361 174 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.305 174 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.305 174 G C -1.052 173.888 174.900 0.067 0.000 1.367 174 G CA -1.082 44.066 45.100 0.081 0.000 0.951 174 G HN 0.427 nan 8.290 nan 0.000 0.615 175 T N 1.465 116.049 114.554 0.050 0.000 2.902 175 T HA 0.470 4.820 4.350 -0.001 0.000 0.301 175 T C 0.585 175.302 174.700 0.029 0.000 1.012 175 T CA 0.429 62.553 62.100 0.039 0.000 1.151 175 T CB 0.226 69.121 68.868 0.045 0.000 0.946 175 T HN 0.557 nan 8.240 nan 0.000 0.542 176 R N 1.655 122.155 120.500 0.000 0.000 2.750 176 R HA 0.751 5.091 4.340 -0.001 0.000 0.281 176 R C -1.390 174.906 176.300 -0.007 0.000 0.972 176 R CA -0.897 55.179 56.100 -0.039 0.000 0.912 176 R CB 2.186 32.382 30.300 -0.173 0.000 1.187 176 R HN 0.349 nan 8.270 nan 0.000 0.464 177 V N 1.362 121.287 119.914 0.019 0.000 2.686 177 V HA 0.631 4.751 4.120 -0.001 0.000 0.306 177 V C -0.763 175.355 176.094 0.040 0.000 1.065 177 V CA -0.772 61.569 62.300 0.068 0.000 0.894 177 V CB 1.941 33.888 31.823 0.207 0.000 1.004 177 V HN 0.940 nan 8.190 nan 0.000 0.424 178 A N 5.675 128.506 122.820 0.019 0.000 2.324 178 A HA 0.952 5.271 4.320 -0.001 0.000 0.330 178 A C -0.915 176.690 177.584 0.036 0.000 1.165 178 A CA -0.508 51.541 52.037 0.021 0.000 0.813 178 A CB 0.878 19.873 19.000 -0.008 0.000 1.197 178 A HN 0.750 nan 8.150 nan 0.000 0.484 179 I N 2.068 122.669 120.570 0.051 0.000 2.499 179 I HA 0.344 4.514 4.170 -0.001 0.000 0.288 179 I C -0.897 175.240 176.117 0.035 0.000 1.048 179 I CA -0.732 60.588 61.300 0.034 0.000 1.062 179 I CB 2.268 40.297 38.000 0.049 0.000 1.238 179 I HN 0.323 nan 8.210 nan 0.000 0.426 180 V N 6.960 126.881 119.914 0.012 0.000 2.370 180 V HA 0.366 4.486 4.120 -0.001 0.000 0.279 180 V C -0.061 176.021 176.094 -0.019 0.000 1.029 180 V CA -0.718 61.585 62.300 0.005 0.000 0.870 180 V CB 1.692 33.513 31.823 -0.002 0.000 0.984 180 V HN 0.379 nan 8.190 nan 0.000 0.451 181 V N 4.857 124.749 119.914 -0.036 0.000 2.328 181 V HA 0.697 4.817 4.120 -0.001 0.000 0.278 181 V C 0.813 176.828 176.094 -0.132 0.000 1.021 181 V CA -0.026 62.224 62.300 -0.083 0.000 0.838 181 V CB 1.155 32.922 31.823 -0.092 0.000 0.999 181 V HN 0.970 nan 8.190 nan 0.000 0.447 182 G N 2.470 111.182 108.800 -0.147 0.000 2.613 182 G HA2 0.591 4.550 3.960 -0.001 0.000 0.303 182 G HA3 0.591 4.550 3.960 -0.001 0.000 0.303 182 G C 0.802 175.532 174.900 -0.283 0.000 1.312 182 G CA -0.118 44.872 45.100 -0.183 0.000 1.036 182 G HN 1.554 nan 8.290 nan 0.000 0.513 183 G N -1.957 106.653 108.800 -0.317 0.000 2.157 183 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.248 183 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.248 183 G C 0.297 174.939 174.900 -0.431 0.000 0.979 183 G CA 0.249 45.116 45.100 -0.388 0.000 0.650 183 G HN 0.682 nan 8.290 nan 0.000 0.529 184 L N 0.372 121.282 121.223 -0.521 0.000 2.490 184 L HA 0.464 4.804 4.340 -0.001 0.000 0.274 184 L C 1.812 178.353 176.870 -0.548 0.000 1.201 184 L CA 2.559 56.969 54.840 -0.717 0.000 0.869 184 L CB 0.867 42.184 42.059 -1.236 0.000 1.123 184 L HN 1.260 nan 8.230 nan 0.000 0.484 185 G N 1.883 110.419 108.800 -0.439 0.000 2.234 185 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.235 185 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.235 185 G C 0.863 175.688 174.900 -0.125 0.000 0.997 185 G CA 0.339 45.361 45.100 -0.130 0.000 0.623 185 G HN 0.516 nan 8.290 nan 0.000 0.514 186 L N 0.639 121.731 121.223 -0.219 0.000 2.044 186 L HA 0.291 4.631 4.340 -0.001 0.000 0.205 186 L C 1.753 178.536 176.870 -0.144 0.000 1.075 186 L CA 1.542 56.275 54.840 -0.180 0.000 0.747 186 L CB -0.176 41.742 42.059 -0.234 0.000 0.903 186 L HN 0.370 nan 8.230 nan 0.000 0.435 187 S N -1.099 114.484 115.700 -0.194 0.000 2.449 187 S HA 0.191 4.661 4.470 -0.001 0.000 0.310 187 S C 0.658 175.153 174.600 -0.175 0.000 1.096 187 S CA -0.821 57.289 58.200 -0.151 0.000 1.095 187 S CB 1.401 64.507 63.200 -0.158 0.000 1.007 187 S HN 0.084 nan 8.310 nan 0.000 0.474 188 Q N 2.793 122.563 119.800 -0.051 0.000 2.079 188 Q HA -0.067 4.273 4.340 -0.001 0.000 0.200 188 Q C 2.231 178.196 176.000 -0.057 0.000 0.974 188 Q CA 2.312 58.145 55.803 0.050 0.000 0.840 188 Q CB -1.215 27.637 28.738 0.190 0.000 0.898 188 Q HN 0.984 nan 8.270 nan 0.000 0.430 189 T N -2.169 112.349 114.554 -0.059 0.000 2.857 189 T HA -0.021 4.329 4.350 -0.001 0.000 0.266 189 T C 1.989 176.589 174.700 -0.168 0.000 1.048 189 T CA 1.184 63.239 62.100 -0.074 0.000 1.139 189 T CB -0.674 68.175 68.868 -0.031 0.000 0.874 189 T HN 0.318 nan 8.240 nan 0.000 0.455 190 G N 1.142 109.820 108.800 -0.203 0.000 2.422 190 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.218 190 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.218 190 G C 1.856 176.513 174.900 -0.406 0.000 1.146 190 G CA 0.927 45.875 45.100 -0.253 0.000 0.769 190 G HN 0.550 nan 8.290 nan 0.000 0.547 191 S N -0.155 115.170 115.700 -0.624 0.000 2.371 191 S HA -0.103 4.366 4.470 -0.001 0.000 0.224 191 S C 2.205 176.137 174.600 -1.113 0.000 1.029 191 S CA 1.288 58.869 58.200 -1.033 0.000 0.978 191 S CB -0.219 61.963 63.200 -1.695 0.000 0.833 191 S HN 0.559 nan 8.310 nan 0.000 0.466 192 Q N 1.303 120.516 119.800 -0.979 0.000 2.061 192 Q HA -0.161 4.179 4.340 -0.001 0.000 0.204 192 Q C 2.177 178.046 176.000 -0.218 0.000 0.984 192 Q CA 1.496 57.030 55.803 -0.450 0.000 0.846 192 Q CB -0.097 28.614 28.738 -0.044 0.000 0.902 192 Q HN 0.414 nan 8.270 nan 0.000 0.421 193 K N -0.468 119.808 120.400 -0.207 0.000 2.057 193 K HA -0.155 4.165 4.320 -0.001 0.000 0.207 193 K C 1.957 178.480 176.600 -0.129 0.000 1.049 193 K CA 1.092 57.306 56.287 -0.122 0.000 0.931 193 K CB -0.205 32.233 32.500 -0.103 0.000 0.714 193 K HN 0.270 nan 8.250 nan 0.000 0.440 194 A N 1.614 124.306 122.820 -0.215 0.000 1.883 194 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 194 A C 2.028 179.526 177.584 -0.144 0.000 1.186 194 A CA 1.496 53.413 52.037 -0.200 0.000 0.624 194 A CB -0.529 18.286 19.000 -0.309 0.000 0.822 194 A HN 0.285 nan 8.150 nan 0.000 0.444 195 I N -0.645 119.832 120.570 -0.156 0.000 2.252 195 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 195 I C 2.558 178.720 176.117 0.074 0.000 1.102 195 I CA 1.657 62.946 61.300 -0.018 0.000 1.385 195 I CB -1.202 36.843 38.000 0.074 0.000 1.064 195 I HN 0.442 nan 8.210 nan 0.000 0.414 196 R N 0.749 121.273 120.500 0.039 0.000 2.081 196 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 196 R C 1.555 177.888 176.300 0.055 0.000 1.131 196 R CA 1.936 58.069 56.100 0.055 0.000 0.960 196 R CB 0.102 30.422 30.300 0.034 0.000 0.856 196 R HN 0.320 nan 8.270 nan 0.000 0.436 197 D N -0.381 120.041 120.400 0.037 0.000 2.394 197 D HA 0.089 4.729 4.640 -0.001 0.000 0.226 197 D C 0.228 176.569 176.300 0.068 0.000 0.990 197 D CA 0.282 54.307 54.000 0.042 0.000 0.902 197 D CB 0.229 41.042 40.800 0.021 0.000 1.038 197 D HN 0.115 nan 8.370 nan 0.000 0.499 198 L N 3.344 124.620 121.223 0.088 0.000 2.380 198 L HA 0.246 4.585 4.340 -0.001 0.000 0.273 198 L C -1.989 174.999 176.870 0.197 0.000 1.138 198 L CA -1.600 53.323 54.840 0.138 0.000 0.832 198 L CB 0.450 42.590 42.059 0.134 0.000 1.124 198 L HN -0.126 nan 8.230 nan 0.000 0.454 199 P HA 0.095 nan 4.420 nan 0.000 0.272 199 P C -2.237 175.064 177.300 0.001 0.000 1.223 199 P CA -1.519 61.621 63.100 0.068 0.000 0.784 199 P CB 0.193 31.925 31.700 0.053 0.000 0.923 200 P HA -0.120 nan 4.420 nan 0.000 0.226 200 P C 0.883 178.043 177.300 -0.234 0.000 1.146 200 P CA 1.282 63.997 63.100 -0.642 0.000 0.773 200 P CB 0.099 31.575 31.700 -0.373 0.000 0.772 201 E N -0.607 119.571 120.200 -0.038 0.000 2.358 201 E HA -0.003 4.347 4.350 -0.001 0.000 0.195 201 E C 0.505 177.173 176.600 0.113 0.000 1.010 201 E CA 0.215 56.644 56.400 0.049 0.000 0.856 201 E CB -0.377 29.358 29.700 0.058 0.000 0.795 201 E HN 0.076 nan 8.360 nan 0.000 0.504 202 V N 2.183 122.202 119.914 0.175 0.000 2.508 202 V HA 0.045 4.164 4.120 -0.001 0.000 0.281 202 V C 0.418 176.668 176.094 0.261 0.000 1.041 202 V CA -0.097 62.324 62.300 0.202 0.000 1.016 202 V CB 1.164 33.102 31.823 0.192 0.000 0.984 202 V HN 0.084 nan 8.190 nan 0.000 0.478 203 T N 7.369 122.016 114.554 0.156 0.000 2.884 203 T HA 0.463 4.813 4.350 -0.001 0.000 0.298 203 T C -0.115 174.639 174.700 0.091 0.000 0.998 203 T CA -0.067 62.115 62.100 0.138 0.000 1.124 203 T CB 0.292 69.213 68.868 0.089 0.000 0.931 203 T HN 0.367 nan 8.240 nan 0.000 0.531 204 L N 2.482 123.767 121.223 0.102 0.000 2.322 204 L HA 0.612 4.951 4.340 -0.001 0.000 0.281 204 L C 0.866 177.823 176.870 0.145 0.000 1.014 204 L CA -1.014 53.860 54.840 0.056 0.000 0.815 204 L CB 1.513 43.582 42.059 0.017 0.000 1.247 204 L HN 0.709 nan 8.230 nan 0.000 0.421 205 G N 2.125 110.940 108.800 0.025 0.000 2.322 205 G HA2 0.568 4.528 3.960 -0.001 0.000 0.309 205 G HA3 0.568 4.528 3.960 -0.001 0.000 0.309 205 G C -1.114 173.781 174.900 -0.008 0.000 1.121 205 G CA -0.209 44.914 45.100 0.038 0.000 0.886 205 G HN 0.229 nan 8.290 nan 0.000 0.447 206 F N 1.639 121.497 119.950 -0.154 0.000 2.415 206 F HA 0.556 5.083 4.527 -0.001 0.000 0.348 206 F C 0.823 176.513 175.800 -0.184 0.000 1.119 206 F CA -0.917 56.991 58.000 -0.154 0.000 1.069 206 F CB 2.055 40.980 39.000 -0.125 0.000 1.124 206 F HN 0.592 nan 8.300 nan 0.000 0.472 207 A N 2.555 125.301 122.820 -0.122 0.000 2.409 207 A HA 0.546 4.866 4.320 -0.001 0.000 0.267 207 A C 1.072 178.601 177.584 -0.092 0.000 1.127 207 A CA 0.195 52.127 52.037 -0.175 0.000 0.795 207 A CB 0.258 19.095 19.000 -0.272 0.000 1.061 207 A HN 1.004 nan 8.150 nan 0.000 0.502 208 A N 2.304 125.066 122.820 -0.097 0.000 1.933 208 A HA -0.054 4.266 4.320 -0.001 0.000 0.218 208 A C 2.147 179.704 177.584 -0.046 0.000 1.175 208 A CA 2.011 54.010 52.037 -0.064 0.000 0.628 208 A CB -0.678 18.281 19.000 -0.069 0.000 0.814 208 A HN 1.605 nan 8.150 nan 0.000 0.444 209 S N -0.448 115.212 115.700 -0.066 0.000 2.650 209 S HA 0.341 4.811 4.470 -0.001 0.000 0.219 209 S C 1.034 175.606 174.600 -0.048 0.000 0.960 209 S CA 0.150 58.322 58.200 -0.048 0.000 0.925 209 S CB -0.719 62.452 63.200 -0.050 0.000 0.775 209 S HN 0.662 nan 8.310 nan 0.000 0.525 210 G N 1.355 110.126 108.800 -0.049 0.000 2.621 210 G HA2 0.429 4.389 3.960 -0.001 0.000 0.271 210 G HA3 0.429 4.389 3.960 -0.001 0.000 0.271 210 G C -0.340 174.572 174.900 0.020 0.000 1.236 210 G CA -0.691 44.390 45.100 -0.032 0.000 0.958 210 G HN 0.386 nan 8.290 nan 0.000 0.512 211 N N -1.244 117.487 118.700 0.052 0.000 2.328 211 N HA 0.345 5.085 4.740 -0.001 0.000 0.299 211 N C 0.015 175.607 175.510 0.137 0.000 1.179 211 N CA -0.459 52.634 53.050 0.072 0.000 0.793 211 N CB 1.821 40.340 38.487 0.053 0.000 1.366 211 N HN 0.453 nan 8.380 nan 0.000 0.493 212 S N 0.018 115.755 115.700 0.060 0.000 3.581 212 S HA -0.143 4.327 4.470 -0.001 0.000 0.354 212 S C 1.405 176.010 174.600 0.008 0.000 1.059 212 S CA 0.164 58.340 58.200 -0.039 0.000 1.060 212 S CB -1.551 61.556 63.200 -0.155 0.000 0.908 212 S HN 0.505 nan 8.310 nan 0.000 0.475 213 L N 0.223 121.516 121.223 0.117 0.000 2.046 213 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 213 L C 2.712 179.676 176.870 0.156 0.000 1.077 213 L CA 2.117 57.097 54.840 0.234 0.000 0.747 213 L CB -0.407 41.760 42.059 0.179 0.000 0.896 213 L HN 0.487 nan 8.230 nan 0.000 0.432 214 Q N -0.007 119.807 119.800 0.024 0.000 2.084 214 Q HA -0.260 4.080 4.340 -0.001 0.000 0.202 214 Q C 2.405 178.365 176.000 -0.068 0.000 0.978 214 Q CA 1.545 57.332 55.803 -0.027 0.000 0.844 214 Q CB 0.005 28.713 28.738 -0.049 0.000 0.898 214 Q HN 0.317 nan 8.270 nan 0.000 0.426 215 R N -0.438 119.950 120.500 -0.187 0.000 2.070 215 R HA -0.178 4.161 4.340 -0.001 0.000 0.233 215 R C 1.765 177.898 176.300 -0.279 0.000 1.137 215 R CA 1.961 57.841 56.100 -0.368 0.000 0.945 215 R CB -0.437 29.432 30.300 -0.718 0.000 0.845 215 R HN 0.393 nan 8.270 nan 0.000 0.430 216 W N 0.292 121.669 121.300 0.129 0.000 2.402 216 W HA -0.060 4.599 4.660 -0.001 0.000 0.286 216 W C 2.448 179.190 176.519 0.372 0.000 1.221 216 W CA 0.044 57.510 57.345 0.201 0.000 1.257 216 W CB -0.143 29.369 29.460 0.088 0.000 1.120 216 W HN 0.137 nan 8.180 nan 0.000 0.551 217 M N 0.661 120.522 119.600 0.434 0.000 2.065 217 M HA -0.304 4.176 4.480 -0.001 0.000 0.259 217 M C 2.053 178.385 176.300 0.055 0.000 1.069 217 M CA 2.025 57.338 55.300 0.023 0.000 1.110 217 M CB -0.511 32.012 32.600 -0.129 0.000 1.328 217 M HN 0.106 nan 8.290 nan 0.000 0.405 218 Q N -0.153 119.673 119.800 0.043 0.000 2.084 218 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 218 Q C 1.528 177.577 176.000 0.081 0.000 0.978 218 Q CA 1.692 57.512 55.803 0.029 0.000 0.844 218 Q CB -0.145 28.586 28.738 -0.012 0.000 0.898 218 Q HN 0.519 nan 8.270 nan 0.000 0.426 219 D N 0.515 120.992 120.400 0.129 0.000 2.097 219 D HA -0.140 4.500 4.640 -0.001 0.000 0.195 219 D C 1.776 178.218 176.300 0.237 0.000 0.989 219 D CA 1.455 55.566 54.000 0.185 0.000 0.827 219 D CB -0.289 40.677 40.800 0.277 0.000 0.966 219 D HN 0.272 nan 8.370 nan 0.000 0.456 220 A N 0.953 123.946 122.820 0.289 0.000 1.877 220 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 220 A C 2.133 179.903 177.584 0.309 0.000 1.186 220 A CA 1.229 53.463 52.037 0.329 0.000 0.620 220 A CB -0.251 18.946 19.000 0.329 0.000 0.822 220 A HN 0.015 nan 8.150 nan 0.000 0.443 221 R N -0.579 120.026 120.500 0.176 0.000 2.115 221 R HA -0.056 4.283 4.340 -0.001 0.000 0.230 221 R C 2.252 178.614 176.300 0.102 0.000 1.111 221 R CA 1.322 57.492 56.100 0.116 0.000 0.976 221 R CB -0.732 29.594 30.300 0.045 0.000 0.870 221 R HN 0.714 nan 8.270 nan 0.000 0.445 222 R N 1.267 121.829 120.500 0.104 0.000 2.073 222 R HA -0.117 4.222 4.340 -0.001 0.000 0.234 222 R C 1.474 177.823 176.300 0.080 0.000 1.134 222 R CA 1.445 57.593 56.100 0.081 0.000 0.952 222 R CB 0.077 30.423 30.300 0.076 0.000 0.850 222 R HN 0.038 nan 8.270 nan 0.000 0.433 223 E N -0.881 119.390 120.200 0.118 0.000 2.347 223 E HA -0.024 4.325 4.350 -0.001 0.000 0.196 223 E C 1.166 177.750 176.600 -0.026 0.000 1.008 223 E CA 1.096 57.538 56.400 0.070 0.000 0.852 223 E CB 0.272 30.058 29.700 0.144 0.000 0.783 223 E HN 0.688 nan 8.360 nan 0.000 0.505 224 G N 1.124 109.937 108.800 0.022 0.000 2.168 224 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.197 224 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.197 224 G C 0.081 174.979 174.900 -0.003 0.000 0.997 224 G CA -0.233 44.865 45.100 -0.003 0.000 0.658 224 G HN 0.309 nan 8.290 nan 0.000 0.513 225 H N 0.967 120.089 119.070 0.088 0.000 2.897 225 H HA 0.231 4.787 4.556 -0.001 0.000 0.347 225 H C 0.656 176.041 175.328 0.094 0.000 1.068 225 H CA 0.616 56.721 56.048 0.096 0.000 1.426 225 H CB 0.918 30.750 29.762 0.117 0.000 1.410 225 H HN 0.523 nan 8.280 nan 0.000 0.597 226 E N 2.423 122.752 120.200 0.215 0.000 2.373 226 E HA 0.241 4.591 4.350 -0.001 0.000 0.267 226 E C -0.272 176.431 176.600 0.171 0.000 1.032 226 E CA -0.467 56.035 56.400 0.170 0.000 0.889 226 E CB 0.529 30.312 29.700 0.139 0.000 0.984 226 E HN 0.491 nan 8.360 nan 0.000 0.425 227 I N 1.169 121.815 120.570 0.127 0.000 2.689 227 I HA 0.493 4.663 4.170 -0.001 0.000 0.299 227 I C -1.256 174.925 176.117 0.107 0.000 1.059 227 I CA -1.005 60.358 61.300 0.104 0.000 1.055 227 I CB 1.498 39.467 38.000 -0.051 0.000 1.243 227 I HN 0.321 nan 8.210 nan 0.000 0.425 228 L N 4.763 126.044 121.223 0.096 0.000 2.342 228 L HA 0.549 4.888 4.340 -0.001 0.000 0.271 228 L C -0.908 175.924 176.870 -0.063 0.000 1.008 228 L CA -1.035 53.830 54.840 0.042 0.000 0.818 228 L CB 2.163 44.233 42.059 0.018 0.000 1.296 228 L HN 0.539 nan 8.230 nan 0.000 0.427 229 L N 2.353 123.425 121.223 -0.251 0.000 2.265 229 L HA 0.312 4.652 4.340 -0.001 0.000 0.288 229 L C -0.306 176.440 176.870 -0.205 0.000 1.058 229 L CA 0.259 54.879 54.840 -0.367 0.000 0.809 229 L CB 1.118 42.684 42.059 -0.822 0.000 1.179 229 L HN 0.519 nan 8.230 nan 0.000 0.429 230 Q N 5.484 125.201 119.800 -0.137 0.000 2.294 230 Q HA 0.405 4.745 4.340 -0.001 0.000 0.257 230 Q C -0.882 175.062 176.000 -0.093 0.000 0.955 230 Q CA -0.353 55.385 55.803 -0.108 0.000 0.936 230 Q CB 1.511 30.188 28.738 -0.101 0.000 1.188 230 Q HN 0.495 nan 8.270 nan 0.000 0.420 231 I N 5.908 126.432 120.570 -0.078 0.000 2.321 231 I HA 0.258 4.427 4.170 -0.001 0.000 0.291 231 I C -2.148 173.955 176.117 -0.023 0.000 0.998 231 I CA -2.908 58.353 61.300 -0.065 0.000 1.227 231 I CB 0.935 38.889 38.000 -0.077 0.000 1.368 231 I HN 0.347 nan 8.210 nan 0.000 0.466 232 P HA 0.265 nan 4.420 nan 0.000 0.271 232 P C -0.854 176.370 177.300 -0.127 0.000 1.233 232 P CA 0.079 63.209 63.100 0.049 0.000 0.764 232 P CB 0.810 32.554 31.700 0.074 0.000 0.825 233 L N 1.689 122.805 121.223 -0.177 0.000 2.354 233 L HA 0.421 4.760 4.340 -0.001 0.000 0.264 233 L C 0.829 177.551 176.870 -0.247 0.000 1.008 233 L CA -1.146 53.488 54.840 -0.343 0.000 0.819 233 L CB 2.081 43.938 42.059 -0.337 0.000 1.339 233 L HN 0.310 nan 8.230 nan 0.000 0.420 234 E N 3.827 123.880 120.200 -0.245 0.000 2.406 234 E HA 0.104 4.454 4.350 -0.001 0.000 0.258 234 E C -2.277 174.222 176.600 -0.168 0.000 1.043 234 E CA -1.400 54.864 56.400 -0.226 0.000 0.929 234 E CB 0.791 30.353 29.700 -0.232 0.000 0.969 234 E HN 0.191 nan 8.360 nan 0.000 0.462 235 P HA 0.045 nan 4.420 nan 0.000 0.282 235 P C 0.165 177.416 177.300 -0.082 0.000 1.287 235 P CA -0.258 62.772 63.100 -0.116 0.000 0.792 235 P CB 0.448 32.130 31.700 -0.030 0.000 1.163 236 F N -0.256 119.724 119.950 0.050 0.000 2.293 236 F HA 0.067 4.594 4.527 -0.001 0.000 0.300 236 F C 2.350 178.195 175.800 0.075 0.000 1.086 236 F CA 1.870 59.904 58.000 0.057 0.000 1.375 236 F CB -1.116 37.904 39.000 0.034 0.000 1.045 236 F HN 0.392 nan 8.300 nan 0.000 0.516 237 G N -1.944 107.001 108.800 0.241 0.000 3.440 237 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.263 237 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.263 237 G C -0.373 174.616 174.900 0.148 0.000 1.236 237 G CA -0.178 45.020 45.100 0.164 0.000 0.927 237 G HN 0.237 nan 8.290 nan 0.000 0.530 238 Y N 1.975 122.307 120.300 0.053 0.000 2.319 238 Y HA 0.392 4.942 4.550 -0.001 0.000 0.328 238 Y C -0.958 174.964 175.900 0.037 0.000 1.133 238 Y CA -1.804 56.316 58.100 0.033 0.000 1.265 238 Y CB 1.853 40.325 38.460 0.020 0.000 1.218 238 Y HN 0.079 nan 8.280 nan 0.000 0.508 239 P HA 0.191 nan 4.420 nan 0.000 0.262 239 P C 1.089 178.150 177.300 -0.399 0.000 1.304 239 P CA 0.480 63.008 63.100 -0.954 0.000 0.859 239 P CB 0.442 31.630 31.700 -0.854 0.000 1.310 240 G N 0.929 109.621 108.800 -0.179 0.000 2.446 240 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.217 240 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.217 240 G C 0.487 175.357 174.900 -0.050 0.000 1.168 240 G CA 0.727 45.777 45.100 -0.083 0.000 0.771 240 G HN 0.307 nan 8.290 nan 0.000 0.551 241 T N 1.338 115.886 114.554 -0.009 0.000 2.762 241 T HA 0.395 4.744 4.350 -0.001 0.000 0.303 241 T C -0.655 174.094 174.700 0.082 0.000 0.977 241 T CA -0.366 61.759 62.100 0.042 0.000 0.961 241 T CB 0.990 69.899 68.868 0.069 0.000 0.944 241 T HN 0.142 nan 8.240 nan 0.000 0.481 242 N N 3.930 122.669 118.700 0.064 0.000 2.524 242 N HA 0.382 5.122 4.740 -0.001 0.000 0.261 242 N C -1.875 173.723 175.510 0.147 0.000 0.998 242 N CA -2.110 51.018 53.050 0.129 0.000 0.915 242 N CB 1.864 40.358 38.487 0.011 0.000 1.187 242 N HN 0.155 nan 8.380 nan 0.000 0.507 243 P HA 0.216 nan 4.420 nan 0.000 0.226 243 P C 0.106 177.485 177.300 0.132 0.000 1.153 243 P CA 0.448 63.670 63.100 0.204 0.000 0.777 243 P CB 0.140 31.988 31.700 0.248 0.000 0.794 244 G N -1.096 107.777 108.800 0.121 0.000 2.369 244 G HA2 0.019 3.978 3.960 -0.001 0.000 0.295 244 G HA3 0.019 3.978 3.960 -0.001 0.000 0.295 244 G C -2.616 172.334 174.900 0.083 0.000 1.298 244 G CA -0.318 44.830 45.100 0.080 0.000 0.940 244 G HN -0.275 nan 8.290 nan 0.000 0.536 245 P HA 0.124 nan 4.420 nan 0.000 0.222 245 P C 0.410 177.729 177.300 0.032 0.000 1.153 245 P CA 1.096 64.226 63.100 0.051 0.000 0.798 245 P CB 0.250 31.971 31.700 0.035 0.000 0.796 246 D N -0.360 120.050 120.400 0.016 0.000 2.336 246 D HA 0.042 4.681 4.640 -0.001 0.000 0.228 246 D C 0.056 176.333 176.300 -0.039 0.000 1.120 246 D CA 0.360 54.355 54.000 -0.008 0.000 0.839 246 D CB -0.403 40.392 40.800 -0.008 0.000 0.932 246 D HN 0.101 nan 8.370 nan 0.000 0.509 247 T N 1.419 115.952 114.554 -0.034 0.000 2.853 247 T HA 0.109 4.459 4.350 -0.001 0.000 0.298 247 T C 0.538 175.129 174.700 -0.181 0.000 0.978 247 T CA -0.468 61.572 62.100 -0.100 0.000 1.152 247 T CB 0.849 69.680 68.868 -0.062 0.000 0.914 247 T HN -0.116 nan 8.240 nan 0.000 0.539 248 L N 4.156 125.196 121.223 -0.305 0.000 2.380 248 L HA 0.370 4.710 4.340 -0.001 0.000 0.273 248 L C 0.099 176.787 176.870 -0.303 0.000 1.138 248 L CA 0.350 54.963 54.840 -0.378 0.000 0.832 248 L CB 0.208 41.830 42.059 -0.728 0.000 1.124 248 L HN 0.491 nan 8.230 nan 0.000 0.454 249 L N 2.629 123.846 121.223 -0.011 0.000 2.346 249 L HA 0.523 4.863 4.340 -0.001 0.000 0.276 249 L C 1.153 178.165 176.870 0.237 0.000 1.006 249 L CA -0.637 54.229 54.840 0.044 0.000 0.817 249 L CB 1.675 43.673 42.059 -0.102 0.000 1.272 249 L HN 0.755 nan 8.230 nan 0.000 0.421 250 A N 2.599 125.512 122.820 0.155 0.000 1.978 250 A HA -0.100 4.220 4.320 -0.001 0.000 0.220 250 A C 1.907 179.453 177.584 -0.062 0.000 1.170 250 A CA 2.039 54.034 52.037 -0.070 0.000 0.636 250 A CB -0.662 18.260 19.000 -0.130 0.000 0.810 250 A HN 0.970 nan 8.150 nan 0.000 0.448 251 G N -1.208 107.582 108.800 -0.015 0.000 2.777 251 G HA2 0.117 4.077 3.960 -0.001 0.000 0.211 251 G HA3 0.117 4.077 3.960 -0.001 0.000 0.211 251 G C 0.122 175.023 174.900 0.002 0.000 1.149 251 G CA 0.147 45.241 45.100 -0.010 0.000 0.785 251 G HN 0.372 nan 8.290 nan 0.000 0.536 252 D N 1.292 121.703 120.400 0.018 0.000 2.339 252 D HA 0.269 4.908 4.640 -0.001 0.000 0.245 252 D C -1.807 174.502 176.300 0.015 0.000 1.115 252 D CA -1.123 52.889 54.000 0.021 0.000 0.917 252 D CB 1.572 42.390 40.800 0.031 0.000 1.192 252 D HN 0.075 nan 8.370 nan 0.000 0.428 253 P HA 0.089 nan 4.420 nan 0.000 0.274 253 P C 0.073 177.377 177.300 0.006 0.000 1.237 253 P CA -0.348 62.753 63.100 0.002 0.000 0.793 253 P CB 0.762 32.462 31.700 0.000 0.000 0.977 254 A N 3.061 125.881 122.820 -0.000 0.000 1.903 254 A HA -0.268 4.052 4.320 -0.001 0.000 0.219 254 A C 2.114 179.691 177.584 -0.011 0.000 1.191 254 A CA 2.718 54.756 52.037 0.001 0.000 0.638 254 A CB -1.303 17.694 19.000 -0.006 0.000 0.823 254 A HN 0.742 nan 8.150 nan 0.000 0.451 255 K N -0.589 119.802 120.400 -0.016 0.000 2.147 255 K HA -0.033 4.286 4.320 -0.001 0.000 0.205 255 K C 1.503 178.081 176.600 -0.037 0.000 1.049 255 K CA 1.619 57.888 56.287 -0.029 0.000 0.936 255 K CB -0.373 32.117 32.500 -0.016 0.000 0.722 255 K HN 0.193 nan 8.250 nan 0.000 0.446 256 V N 2.005 121.908 119.914 -0.018 0.000 2.379 256 V HA -0.172 3.948 4.120 -0.001 0.000 0.245 256 V C 1.843 177.922 176.094 -0.025 0.000 1.044 256 V CA 1.687 63.978 62.300 -0.015 0.000 1.036 256 V CB -0.603 31.221 31.823 0.000 0.000 0.664 256 V HN 0.443 nan 8.190 nan 0.000 0.453 257 N N 0.211 118.904 118.700 -0.011 0.000 2.216 257 N HA -0.041 4.698 4.740 -0.001 0.000 0.183 257 N C 1.715 177.187 175.510 -0.063 0.000 1.017 257 N CA 1.134 54.178 53.050 -0.010 0.000 0.861 257 N CB -0.176 38.359 38.487 0.080 0.000 0.986 257 N HN 0.291 nan 8.380 nan 0.000 0.428 258 I N 1.515 122.023 120.570 -0.104 0.000 2.315 258 I HA -0.183 3.986 4.170 -0.001 0.000 0.248 258 I C 1.406 177.271 176.117 -0.419 0.000 1.117 258 I CA 1.170 62.315 61.300 -0.260 0.000 1.404 258 I CB -0.880 36.964 38.000 -0.260 0.000 1.071 258 I HN 0.055 nan 8.210 nan 0.000 0.419 259 D N 0.753 121.017 120.400 -0.227 0.000 2.117 259 D HA -0.147 4.493 4.640 -0.001 0.000 0.197 259 D C 2.360 178.631 176.300 -0.048 0.000 0.987 259 D CA 1.024 54.951 54.000 -0.122 0.000 0.829 259 D CB -0.088 40.684 40.800 -0.046 0.000 0.961 259 D HN 0.308 nan 8.370 nan 0.000 0.460 260 R N -0.008 120.461 120.500 -0.052 0.000 2.081 260 R HA -0.100 4.240 4.340 -0.001 0.000 0.235 260 R C 2.295 178.586 176.300 -0.015 0.000 1.131 260 R CA 0.517 56.600 56.100 -0.029 0.000 0.960 260 R CB -0.419 29.853 30.300 -0.048 0.000 0.856 260 R HN 0.112 nan 8.270 nan 0.000 0.436 261 L N 0.464 121.668 121.223 -0.032 0.000 2.012 261 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 261 L C 1.858 178.812 176.870 0.140 0.000 1.073 261 L CA 1.946 56.800 54.840 0.024 0.000 0.748 261 L CB -0.594 41.475 42.059 0.017 0.000 0.891 261 L HN 0.263 nan 8.230 nan 0.000 0.431 262 H N -1.148 117.935 119.070 0.021 0.000 2.387 262 H HA -0.098 4.458 4.556 -0.001 0.000 0.299 262 H C 2.294 177.635 175.328 0.022 0.000 1.090 262 H CA 0.948 57.014 56.048 0.029 0.000 1.332 262 H CB 0.121 29.900 29.762 0.028 0.000 1.386 262 H HN 0.350 nan 8.280 nan 0.000 0.516 263 R N 0.275 120.857 120.500 0.137 0.000 2.081 263 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 263 R C 2.575 178.902 176.300 0.045 0.000 1.131 263 R CA 1.329 57.472 56.100 0.071 0.000 0.960 263 R CB -0.122 30.205 30.300 0.044 0.000 0.856 263 R HN 0.163 nan 8.270 nan 0.000 0.436 264 S N 0.892 116.612 115.700 0.034 0.000 2.368 264 S HA -0.100 4.370 4.470 -0.001 0.000 0.224 264 S C 1.938 176.534 174.600 -0.007 0.000 1.029 264 S CA 1.171 59.370 58.200 -0.002 0.000 0.988 264 S CB -0.082 63.102 63.200 -0.026 0.000 0.838 264 S HN 0.248 nan 8.310 nan 0.000 0.462 265 M N 0.911 120.538 119.600 0.046 0.000 2.202 265 M HA -0.137 4.342 4.480 -0.001 0.000 0.262 265 M C 2.113 178.488 176.300 0.125 0.000 1.063 265 M CA 1.384 56.750 55.300 0.109 0.000 1.097 265 M CB -0.415 32.285 32.600 0.167 0.000 1.382 265 M HN 0.380 nan 8.290 nan 0.000 0.413 266 A N -0.536 122.325 122.820 0.068 0.000 2.208 266 A HA -0.029 4.291 4.320 -0.001 0.000 0.209 266 A C 1.898 179.501 177.584 0.033 0.000 1.161 266 A CA 0.718 52.784 52.037 0.047 0.000 0.782 266 A CB -0.285 18.733 19.000 0.029 0.000 0.816 266 A HN 0.392 nan 8.150 nan 0.000 0.477 267 K N -0.372 120.039 120.400 0.019 0.000 2.228 267 K HA 0.147 4.467 4.320 -0.001 0.000 0.202 267 K C 0.582 177.180 176.600 -0.004 0.000 1.051 267 K CA 0.989 57.278 56.287 0.003 0.000 0.960 267 K CB -0.133 32.364 32.500 -0.006 0.000 0.743 267 K HN 0.795 nan 8.250 nan 0.000 0.458 268 I N -4.577 115.992 120.570 -0.002 0.000 3.322 268 I HA 0.457 4.626 4.170 -0.001 0.000 0.313 268 I C -0.360 175.814 176.117 0.095 0.000 1.129 268 I CA -0.996 60.294 61.300 -0.016 0.000 0.963 268 I CB 2.295 40.210 38.000 -0.142 0.000 1.273 268 I HN -0.344 nan 8.210 nan 0.000 0.473 269 T N 0.073 114.627 114.554 -0.000 0.000 2.838 269 T HA 0.451 4.801 4.350 -0.001 0.000 0.292 269 T C -0.583 173.942 174.700 -0.292 0.000 1.113 269 T CA -0.293 61.739 62.100 -0.114 0.000 1.008 269 T CB 0.881 69.648 68.868 -0.168 0.000 1.259 269 T HN 0.924 nan 8.240 nan 0.000 0.520 270 N N -0.007 118.235 118.700 -0.763 0.000 2.776 270 N HA -0.137 4.602 4.740 -0.001 0.000 0.249 270 N C -1.120 173.998 175.510 -0.653 0.000 1.111 270 N CA 1.412 53.667 53.050 -1.325 0.000 0.711 270 N CB -2.327 35.648 38.487 -0.853 0.000 1.065 270 N HN 0.669 nan 8.380 nan 0.000 0.556 271 Y N -3.126 116.941 120.300 -0.387 0.000 2.457 271 Y HA 0.689 5.238 4.550 -0.001 0.000 0.333 271 Y C 1.666 177.593 175.900 0.045 0.000 1.119 271 Y CA -0.443 57.574 58.100 -0.138 0.000 1.143 271 Y CB 0.821 39.197 38.460 -0.141 0.000 1.230 271 Y HN 0.057 nan 8.280 nan 0.000 0.469 272 T N -1.353 113.329 114.554 0.213 0.000 3.057 272 T HA 0.562 4.911 4.350 -0.001 0.000 0.254 272 T C 0.663 175.463 174.700 0.167 0.000 1.094 272 T CA 0.342 62.545 62.100 0.171 0.000 1.088 272 T CB -0.193 68.761 68.868 0.143 0.000 0.934 272 T HN 1.157 nan 8.240 nan 0.000 0.497 273 G N 0.613 109.560 108.800 0.246 0.000 2.489 273 G HA2 0.504 4.464 3.960 -0.001 0.000 0.305 273 G HA3 0.504 4.464 3.960 -0.001 0.000 0.305 273 G C -1.565 173.435 174.900 0.167 0.000 1.311 273 G CA -0.255 44.965 45.100 0.199 0.000 0.813 273 G HN 0.807 nan 8.290 nan 0.000 0.480 274 V N -2.061 117.876 119.914 0.039 0.000 2.815 274 V HA 0.943 5.063 4.120 -0.001 0.000 0.314 274 V C -0.037 175.878 176.094 -0.299 0.000 1.064 274 V CA -0.864 61.375 62.300 -0.101 0.000 0.952 274 V CB 1.493 33.284 31.823 -0.054 0.000 1.020 274 V HN 1.290 nan 8.190 nan 0.000 0.439 275 M N 2.187 121.605 119.600 -0.302 0.000 2.619 275 M HA 0.621 5.101 4.480 -0.001 0.000 0.297 275 M C -0.872 175.245 176.300 -0.305 0.000 1.229 275 M CA -0.802 54.266 55.300 -0.388 0.000 0.860 275 M CB 2.215 34.688 32.600 -0.211 0.000 1.741 275 M HN 0.808 nan 8.290 nan 0.000 0.462 276 N N 1.328 119.851 118.700 -0.294 0.000 2.530 276 N HA 0.103 4.843 4.740 -0.001 0.000 0.273 276 N C -1.891 173.622 175.510 0.005 0.000 1.173 276 N CA -0.115 52.867 53.050 -0.113 0.000 0.967 276 N CB 0.988 39.456 38.487 -0.032 0.000 1.109 276 N HN 0.813 nan 8.380 nan 0.000 0.453 277 Y N 3.873 124.111 120.300 -0.104 0.000 2.342 277 Y HA 0.363 4.913 4.550 -0.000 0.000 0.338 277 Y C 0.895 176.762 175.900 -0.055 0.000 0.965 277 Y CA -0.615 57.439 58.100 -0.076 0.000 1.159 277 Y CB -0.034 38.377 38.460 -0.082 0.000 1.157 277 Y HN 0.764 nan 8.280 nan 0.000 0.486 278 L N 3.778 124.697 121.223 -0.508 0.000 6.599 278 L HA -0.349 3.991 4.340 -0.001 0.000 0.053 278 L C 1.233 177.996 176.870 -0.179 0.000 2.154 278 L CA 1.192 55.790 54.840 -0.403 0.000 1.573 278 L CB -1.695 40.033 42.059 -0.552 0.000 2.834 278 L HN 1.027 nan 8.230 nan 0.000 1.072 279 G N -1.066 107.635 108.800 -0.166 0.000 2.131 279 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.223 279 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.223 279 G C 0.661 175.498 174.900 -0.106 0.000 0.990 279 G CA 0.982 46.032 45.100 -0.082 0.000 0.671 279 G HN 1.487 nan 8.290 nan 0.000 0.521 280 G N 0.557 109.228 108.800 -0.215 0.000 2.513 280 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.219 280 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.219 280 G C 1.624 175.965 174.900 -0.932 0.000 1.160 280 G CA 1.936 46.798 45.100 -0.397 0.000 0.767 280 G HN 0.810 nan 8.290 nan 0.000 0.571 281 R N -0.276 119.603 120.500 -1.035 0.000 2.062 281 R HA 0.103 4.443 4.340 -0.001 0.000 0.229 281 R C 2.209 178.343 176.300 -0.277 0.000 1.128 281 R CA 1.154 56.794 56.100 -0.765 0.000 0.960 281 R CB -1.020 28.995 30.300 -0.475 0.000 0.855 281 R HN 0.307 nan 8.270 nan 0.000 0.432 282 F N 0.534 120.316 119.950 -0.279 0.000 2.134 282 F HA -0.071 4.456 4.527 0.000 0.000 0.299 282 F C 1.647 177.387 175.800 -0.100 0.000 1.097 282 F CA 1.549 59.453 58.000 -0.160 0.000 1.264 282 F CB -0.068 38.852 39.000 -0.133 0.000 1.001 282 F HN 0.014 nan 8.300 nan 0.000 0.479 283 L N -0.557 120.723 121.223 0.094 0.000 2.275 283 L HA -0.095 4.245 4.340 -0.001 0.000 0.215 283 L C 2.354 179.222 176.870 -0.004 0.000 1.119 283 L CA 0.831 55.722 54.840 0.085 0.000 0.790 283 L CB -0.817 41.333 42.059 0.151 0.000 0.919 283 L HN 0.178 nan 8.230 nan 0.000 0.443 284 A N -1.266 121.530 122.820 -0.041 0.000 2.251 284 A HA 0.038 4.358 4.320 -0.001 0.000 0.209 284 A C 0.576 178.116 177.584 -0.074 0.000 1.187 284 A CA 0.340 52.365 52.037 -0.020 0.000 0.823 284 A CB -0.052 18.973 19.000 0.042 0.000 0.846 284 A HN 0.157 nan 8.150 nan 0.000 0.486 285 E N 0.112 120.209 120.200 -0.171 0.000 2.121 285 E HA 0.154 4.503 4.350 -0.001 0.000 0.255 285 E C 0.456 176.912 176.600 -0.240 0.000 0.906 285 E CA -0.327 55.945 56.400 -0.213 0.000 0.745 285 E CB 1.325 30.849 29.700 -0.293 0.000 1.155 285 E HN 0.523 nan 8.360 nan 0.000 0.424 286 Q N 2.809 122.519 119.800 -0.149 0.000 2.077 286 Q HA -0.228 4.111 4.340 -0.001 0.000 0.206 286 Q C 1.725 177.638 176.000 -0.145 0.000 0.989 286 Q CA 2.748 58.475 55.803 -0.127 0.000 0.853 286 Q CB -0.052 28.638 28.738 -0.080 0.000 0.907 286 Q HN 0.449 nan 8.270 nan 0.000 0.418 287 S N -0.906 114.710 115.700 -0.140 0.000 2.442 287 S HA -0.029 4.441 4.470 -0.001 0.000 0.236 287 S C 1.913 176.412 174.600 -0.168 0.000 1.007 287 S CA 0.846 58.971 58.200 -0.125 0.000 0.965 287 S CB -0.359 62.782 63.200 -0.097 0.000 0.773 287 S HN 0.519 nan 8.310 nan 0.000 0.504 288 A N 1.123 123.763 122.820 -0.299 0.000 1.911 288 A HA 0.395 4.714 4.320 -0.001 0.000 0.212 288 A C 2.090 179.410 177.584 -0.439 0.000 1.189 288 A CA 0.813 52.571 52.037 -0.465 0.000 0.639 288 A CB -0.665 17.787 19.000 -0.913 0.000 0.839 288 A HN 0.466 nan 8.150 nan 0.000 0.449 289 L N 0.134 121.093 121.223 -0.440 0.000 2.131 289 L HA 0.013 4.352 4.340 -0.001 0.000 0.206 289 L C 2.132 178.955 176.870 -0.078 0.000 1.087 289 L CA 2.204 56.944 54.840 -0.166 0.000 0.767 289 L CB -0.545 41.415 42.059 -0.166 0.000 0.917 289 L HN 0.574 nan 8.230 nan 0.000 0.441 290 E N -0.287 119.850 120.200 -0.105 0.000 2.058 290 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 290 E C -0.574 176.002 176.600 -0.040 0.000 0.997 290 E CA 1.715 58.070 56.400 -0.076 0.000 0.801 290 E CB -0.730 28.927 29.700 -0.071 0.000 0.746 290 E HN 0.388 nan 8.360 nan 0.000 0.450 291 P HA -0.115 nan 4.420 nan 0.000 0.218 291 P C 1.480 178.798 177.300 0.029 0.000 1.149 291 P CA 0.868 63.970 63.100 0.004 0.000 0.817 291 P CB 0.058 31.762 31.700 0.006 0.000 0.785 292 V N -0.713 119.239 119.914 0.062 0.000 2.307 292 V HA -0.235 3.885 4.120 -0.001 0.000 0.245 292 V C 2.441 178.578 176.094 0.071 0.000 1.045 292 V CA 1.865 64.226 62.300 0.102 0.000 1.024 292 V CB -1.098 30.852 31.823 0.211 0.000 0.651 292 V HN 0.095 nan 8.190 nan 0.000 0.449 293 M N -0.968 118.627 119.600 -0.007 0.000 2.229 293 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 293 M C 2.426 178.711 176.300 -0.025 0.000 1.063 293 M CA 1.540 56.790 55.300 -0.084 0.000 1.114 293 M CB -0.395 32.055 32.600 -0.250 0.000 1.387 293 M HN 0.239 nan 8.290 nan 0.000 0.420 294 R N 0.184 120.678 120.500 -0.009 0.000 2.075 294 R HA -0.158 4.181 4.340 -0.001 0.000 0.232 294 R C 1.775 178.099 176.300 0.040 0.000 1.126 294 R CA 1.840 57.945 56.100 0.008 0.000 0.963 294 R CB -0.450 29.852 30.300 0.004 0.000 0.858 294 R HN 0.378 nan 8.270 nan 0.000 0.435 295 D N 0.586 121.023 120.400 0.062 0.000 2.097 295 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 295 D C 1.802 178.171 176.300 0.114 0.000 0.989 295 D CA 1.224 55.285 54.000 0.103 0.000 0.827 295 D CB 0.035 40.916 40.800 0.136 0.000 0.966 295 D HN 0.104 nan 8.370 nan 0.000 0.456 296 I N 0.282 120.927 120.570 0.125 0.000 2.163 296 I HA -0.141 4.029 4.170 -0.001 0.000 0.243 296 I C 2.548 178.731 176.117 0.110 0.000 1.085 296 I CA 1.348 62.736 61.300 0.147 0.000 1.347 296 I CB -0.605 37.524 38.000 0.215 0.000 1.044 296 I HN 0.172 nan 8.210 nan 0.000 0.408 297 G N 1.567 110.413 108.800 0.077 0.000 2.418 297 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.217 297 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.217 297 G C 1.650 176.576 174.900 0.044 0.000 1.158 297 G CA 1.081 46.212 45.100 0.052 0.000 0.771 297 G HN 0.517 nan 8.290 nan 0.000 0.545 298 K N 0.273 120.699 120.400 0.044 0.000 2.365 298 K HA 0.063 4.382 4.320 -0.001 0.000 0.199 298 K C 2.027 178.646 176.600 0.032 0.000 1.045 298 K CA 0.488 56.795 56.287 0.034 0.000 0.962 298 K CB -0.085 32.436 32.500 0.035 0.000 0.759 298 K HN 0.197 nan 8.250 nan 0.000 0.469 299 R N 0.241 120.766 120.500 0.042 0.000 2.334 299 R HA 0.091 4.431 4.340 -0.001 0.000 0.220 299 R C 0.433 176.746 176.300 0.022 0.000 0.917 299 R CA 0.432 56.549 56.100 0.029 0.000 1.073 299 R CB 0.390 30.714 30.300 0.039 0.000 1.056 299 R HN 0.526 nan 8.270 nan 0.000 0.506 300 G N 1.387 110.204 108.800 0.028 0.000 2.160 300 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.244 300 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.244 300 G C -0.077 174.844 174.900 0.036 0.000 1.022 300 G CA -0.084 45.029 45.100 0.022 0.000 0.741 300 G HN 0.170 nan 8.290 nan 0.000 0.508 301 L N -0.173 121.088 121.223 0.064 0.000 2.344 301 L HA 0.786 5.126 4.340 -0.001 0.000 0.272 301 L C 0.892 177.828 176.870 0.110 0.000 1.035 301 L CA -1.542 53.355 54.840 0.094 0.000 0.807 301 L CB 1.365 43.506 42.059 0.136 0.000 1.237 301 L HN 0.252 nan 8.230 nan 0.000 0.442 302 L N -0.325 120.965 121.223 0.112 0.000 2.421 302 L HA 0.568 4.908 4.340 -0.001 0.000 0.263 302 L C -0.826 176.139 176.870 0.158 0.000 1.122 302 L CA 0.123 55.032 54.840 0.115 0.000 0.804 302 L CB 0.536 42.643 42.059 0.079 0.000 1.150 302 L HN 0.370 nan 8.230 nan 0.000 0.457 303 F N 2.767 122.716 119.950 -0.003 0.000 2.427 303 F HA 0.616 5.143 4.527 0.000 0.000 0.348 303 F C -0.984 174.781 175.800 -0.058 0.000 1.125 303 F CA -0.855 57.133 58.000 -0.021 0.000 0.989 303 F CB 1.616 40.594 39.000 -0.035 0.000 1.165 303 F HN 0.604 nan 8.300 nan 0.000 0.442 304 L N 6.894 127.929 121.223 -0.312 0.000 2.265 304 L HA 0.407 4.747 4.340 -0.001 0.000 0.289 304 L C -0.808 175.866 176.870 -0.326 0.000 1.033 304 L CA -0.107 54.609 54.840 -0.206 0.000 0.814 304 L CB 0.734 42.715 42.059 -0.129 0.000 1.203 304 L HN 0.538 nan 8.230 nan 0.000 0.423 305 D N 3.036 123.365 120.400 -0.118 0.000 2.249 305 D HA 0.074 4.714 4.640 -0.001 0.000 0.246 305 D C 0.373 176.734 176.300 0.101 0.000 1.114 305 D CA -0.183 53.827 54.000 0.016 0.000 0.854 305 D CB 1.556 42.394 40.800 0.063 0.000 1.132 305 D HN 0.738 nan 8.370 nan 0.000 0.461 306 D N 2.757 123.208 120.400 0.084 0.000 2.348 306 D HA -0.012 4.628 4.640 -0.001 0.000 0.216 306 D C 1.343 177.730 176.300 0.145 0.000 0.970 306 D CA 0.849 54.904 54.000 0.090 0.000 0.889 306 D CB -0.185 40.644 40.800 0.049 0.000 0.912 306 D HN 0.689 nan 8.370 nan 0.000 0.524 307 G N 0.105 109.045 108.800 0.234 0.000 2.159 307 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.256 307 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.256 307 G C 1.109 176.072 174.900 0.105 0.000 0.977 307 G CA 0.951 46.172 45.100 0.202 0.000 0.652 307 G HN 0.663 nan 8.290 nan 0.000 0.531 308 S N -0.965 114.797 115.700 0.102 0.000 2.481 308 S HA 0.361 4.831 4.470 -0.001 0.000 0.231 308 S C 0.942 175.594 174.600 0.087 0.000 0.996 308 S CA 1.130 59.374 58.200 0.074 0.000 0.942 308 S CB 0.268 63.503 63.200 0.058 0.000 0.768 308 S HN 0.869 nan 8.310 nan 0.000 0.520 309 S N 1.015 116.782 115.700 0.110 0.000 2.530 309 S HA 0.729 5.199 4.470 -0.001 0.000 0.322 309 S C 0.821 175.476 174.600 0.092 0.000 1.085 309 S CA -0.393 57.883 58.200 0.126 0.000 1.096 309 S CB 1.629 64.916 63.200 0.145 0.000 0.988 309 S HN 0.445 nan 8.310 nan 0.000 0.466 310 A N 2.294 125.148 122.820 0.058 0.000 2.066 310 A HA -0.029 4.290 4.320 -0.001 0.000 0.218 310 A C 1.693 179.288 177.584 0.019 0.000 1.157 310 A CA 0.912 52.950 52.037 0.002 0.000 0.670 310 A CB -0.111 18.881 19.000 -0.012 0.000 0.804 310 A HN 0.627 nan 8.150 nan 0.000 0.453 311 Q N 0.203 120.046 119.800 0.071 0.000 2.360 311 Q HA 0.111 4.450 4.340 -0.001 0.000 0.202 311 Q C 0.663 176.717 176.000 0.090 0.000 0.915 311 Q CA 0.185 56.033 55.803 0.076 0.000 0.943 311 Q CB -0.371 28.431 28.738 0.106 0.000 1.064 311 Q HN 0.507 nan 8.270 nan 0.000 0.511 312 S N 0.477 116.250 115.700 0.122 0.000 2.552 312 S HA 0.085 4.554 4.470 -0.001 0.000 0.289 312 S C 0.871 175.574 174.600 0.172 0.000 1.304 312 S CA -0.132 58.170 58.200 0.170 0.000 1.063 312 S CB 0.294 63.668 63.200 0.290 0.000 0.848 312 S HN 0.367 nan 8.310 nan 0.000 0.499 313 L N 4.481 125.768 121.223 0.106 0.000 2.667 313 L HA 0.103 4.442 4.340 -0.001 0.000 0.232 313 L C 2.296 179.182 176.870 0.028 0.000 1.138 313 L CA 0.278 55.155 54.840 0.060 0.000 0.921 313 L CB -0.180 41.877 42.059 -0.004 0.000 1.180 313 L HN 0.865 nan 8.230 nan 0.000 0.487 314 S N -0.489 115.229 115.700 0.031 0.000 2.402 314 S HA -0.103 4.366 4.470 -0.001 0.000 0.229 314 S C 2.008 176.511 174.600 -0.160 0.000 1.021 314 S CA 1.062 59.164 58.200 -0.164 0.000 0.974 314 S CB -0.487 62.572 63.200 -0.235 0.000 0.800 314 S HN 0.412 nan 8.310 nan 0.000 0.484 315 G N 1.293 110.100 108.800 0.012 0.000 2.404 315 G HA2 0.141 4.100 3.960 -0.001 0.000 0.215 315 G HA3 0.141 4.100 3.960 -0.001 0.000 0.215 315 G C 1.445 176.380 174.900 0.058 0.000 1.174 315 G CA 0.555 45.698 45.100 0.072 0.000 0.780 315 G HN 0.645 nan 8.290 nan 0.000 0.537 316 G N 0.943 109.785 108.800 0.070 0.000 2.402 316 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.216 316 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.216 316 G C 1.783 176.676 174.900 -0.012 0.000 1.162 316 G CA 0.721 45.840 45.100 0.031 0.000 0.777 316 G HN 0.420 nan 8.290 nan 0.000 0.539 317 I N 1.440 121.984 120.570 -0.043 0.000 2.179 317 I HA -0.198 3.971 4.170 -0.001 0.000 0.242 317 I C 3.305 179.373 176.117 -0.082 0.000 1.088 317 I CA 1.022 62.278 61.300 -0.074 0.000 1.357 317 I CB -0.212 37.719 38.000 -0.114 0.000 1.051 317 I HN 0.245 nan 8.210 nan 0.000 0.409 318 A N 0.580 123.337 122.820 -0.106 0.000 1.908 318 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 318 A C 2.404 179.963 177.584 -0.042 0.000 1.181 318 A CA 1.953 53.936 52.037 -0.090 0.000 0.627 318 A CB -0.560 18.373 19.000 -0.111 0.000 0.818 318 A HN 0.361 nan 8.150 nan 0.000 0.445 319 K N -0.363 120.023 120.400 -0.024 0.000 2.057 319 K HA -0.092 4.227 4.320 -0.001 0.000 0.207 319 K C 2.116 178.711 176.600 -0.008 0.000 1.049 319 K CA 1.217 57.501 56.287 -0.005 0.000 0.931 319 K CB -0.313 32.194 32.500 0.011 0.000 0.714 319 K HN 0.375 nan 8.250 nan 0.000 0.440 320 A N 1.481 124.292 122.820 -0.015 0.000 1.969 320 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 320 A C 1.934 179.508 177.584 -0.017 0.000 1.169 320 A CA 1.464 53.492 52.037 -0.015 0.000 0.635 320 A CB -0.528 18.460 19.000 -0.019 0.000 0.810 320 A HN 0.591 nan 8.150 nan 0.000 0.445 321 I N -5.594 114.961 120.570 -0.024 0.000 4.018 321 I HA 0.279 4.449 4.170 -0.001 0.000 0.337 321 I C 0.261 176.370 176.117 -0.013 0.000 1.327 321 I CA 0.407 61.694 61.300 -0.021 0.000 1.100 321 I CB 0.148 38.130 38.000 -0.030 0.000 1.025 321 I HN 0.008 nan 8.210 nan 0.000 0.396 322 S N 1.497 117.190 115.700 -0.011 0.000 3.631 322 S HA -0.155 4.315 4.470 -0.001 0.000 0.366 322 S C 0.485 175.084 174.600 -0.002 0.000 0.993 322 S CA 0.551 58.749 58.200 -0.003 0.000 1.167 322 S CB -1.782 61.419 63.200 0.002 0.000 0.909 322 S HN 0.889 nan 8.310 nan 0.000 0.478 323 A N 1.139 123.953 122.820 -0.010 0.000 2.306 323 A HA 0.711 5.030 4.320 -0.001 0.000 0.314 323 A C -2.325 175.264 177.584 0.007 0.000 1.164 323 A CA -1.814 50.221 52.037 -0.002 0.000 0.822 323 A CB 0.382 19.369 19.000 -0.020 0.000 1.130 323 A HN 0.184 nan 8.150 nan 0.000 0.496 324 P HA 0.257 nan 4.420 nan 0.000 0.276 324 P C -0.665 176.667 177.300 0.053 0.000 1.243 324 P CA 0.049 63.171 63.100 0.036 0.000 0.768 324 P CB 0.721 32.448 31.700 0.045 0.000 0.856 325 Q N 1.874 121.691 119.800 0.028 0.000 2.418 325 Q HA 0.687 5.027 4.340 -0.001 0.000 0.282 325 Q C -1.483 174.503 176.000 -0.025 0.000 1.044 325 Q CA -0.790 55.026 55.803 0.021 0.000 0.813 325 Q CB 2.893 31.602 28.738 -0.049 0.000 1.428 325 Q HN 0.591 nan 8.270 nan 0.000 0.402 326 G N 1.296 110.059 108.800 -0.062 0.000 2.718 326 G HA2 0.623 4.582 3.960 -0.001 0.000 0.295 326 G HA3 0.623 4.582 3.960 -0.001 0.000 0.295 326 G C -1.877 172.947 174.900 -0.127 0.000 1.421 326 G CA -0.426 44.641 45.100 -0.055 0.000 0.902 326 G HN 0.309 nan 8.290 nan 0.000 0.501 327 F N 1.249 121.239 119.950 0.068 0.000 2.421 327 F HA 0.651 5.177 4.527 -0.001 0.000 0.337 327 F C 0.994 176.813 175.800 0.033 0.000 1.105 327 F CA -0.436 57.599 58.000 0.059 0.000 1.049 327 F CB 2.126 41.158 39.000 0.053 0.000 1.139 327 F HN 0.642 nan 8.300 nan 0.000 0.479 328 A N 2.780 125.735 122.820 0.225 0.000 2.477 328 A HA 0.121 4.441 4.320 -0.001 0.000 0.246 328 A C 0.970 178.623 177.584 0.115 0.000 1.078 328 A CA -0.198 51.914 52.037 0.124 0.000 0.770 328 A CB 0.059 19.109 19.000 0.082 0.000 1.011 328 A HN 0.877 nan 8.150 nan 0.000 0.494 329 D N 0.506 120.946 120.400 0.066 0.000 2.183 329 D HA 0.065 4.704 4.640 -0.001 0.000 0.205 329 D C -0.076 176.230 176.300 0.010 0.000 0.962 329 D CA 1.408 55.430 54.000 0.036 0.000 0.849 329 D CB 0.284 41.099 40.800 0.025 0.000 0.978 329 D HN 0.281 nan 8.370 nan 0.000 0.488 330 V N 1.753 121.667 119.914 -0.000 0.000 2.686 330 V HA 0.191 4.311 4.120 -0.001 0.000 0.306 330 V C -0.642 175.441 176.094 -0.018 0.000 1.065 330 V CA -0.970 61.317 62.300 -0.021 0.000 0.894 330 V CB 2.664 34.455 31.823 -0.053 0.000 1.004 330 V HN -0.050 nan 8.190 nan 0.000 0.424 331 L N 5.245 126.462 121.223 -0.011 0.000 2.283 331 L HA 0.435 4.775 4.340 -0.001 0.000 0.287 331 L C 0.696 177.552 176.870 -0.023 0.000 1.073 331 L CA 0.487 55.325 54.840 -0.004 0.000 0.822 331 L CB 0.595 42.662 42.059 0.013 0.000 1.186 331 L HN 0.650 nan 8.230 nan 0.000 0.436 332 L N 3.065 124.268 121.223 -0.033 0.000 2.240 332 L HA 0.089 4.428 4.340 -0.001 0.000 0.211 332 L C 0.384 177.234 176.870 -0.034 0.000 1.106 332 L CA 0.590 55.393 54.840 -0.060 0.000 0.793 332 L CB -0.289 41.714 42.059 -0.093 0.000 0.927 332 L HN 0.769 nan 8.230 nan 0.000 0.446 333 D N -1.193 119.211 120.400 0.006 0.000 2.891 333 D HA 0.101 4.740 4.640 -0.001 0.000 0.332 333 D C 1.294 177.610 176.300 0.026 0.000 1.369 333 D CA -0.050 53.964 54.000 0.023 0.000 0.827 333 D CB -0.074 40.780 40.800 0.089 0.000 1.141 333 D HN 0.005 nan 8.370 nan 0.000 0.464 334 G N 0.307 109.112 108.800 0.008 0.000 2.422 334 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 334 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 334 G C 0.532 175.413 174.900 -0.031 0.000 1.146 334 G CA 0.279 45.380 45.100 0.003 0.000 0.769 334 G HN 0.432 nan 8.290 nan 0.000 0.547 335 E N 0.188 120.360 120.200 -0.047 0.000 2.145 335 E HA 0.411 4.761 4.350 -0.001 0.000 0.270 335 E C -0.681 175.860 176.600 -0.099 0.000 0.906 335 E CA -0.661 55.694 56.400 -0.074 0.000 0.761 335 E CB 1.734 31.400 29.700 -0.057 0.000 1.116 335 E HN -0.081 nan 8.360 nan 0.000 0.408 336 V N 5.215 125.029 119.914 -0.166 0.000 2.008 336 V HA 0.171 4.291 4.120 -0.001 0.000 0.262 336 V C 0.061 176.070 176.094 -0.142 0.000 1.580 336 V CA -0.012 62.163 62.300 -0.209 0.000 1.515 336 V CB -0.875 30.664 31.823 -0.473 0.000 1.474 336 V HN 0.714 nan 8.190 nan 0.000 0.504 337 T N -2.502 112.000 114.554 -0.088 0.000 2.903 337 T HA 0.403 4.753 4.350 -0.001 0.000 0.299 337 T C 0.733 175.409 174.700 -0.039 0.000 1.093 337 T CA -0.573 61.491 62.100 -0.060 0.000 1.002 337 T CB 2.500 71.337 68.868 -0.052 0.000 1.127 337 T HN 0.332 nan 8.240 nan 0.000 0.488 338 E N 1.109 121.294 120.200 -0.025 0.000 2.070 338 E HA -0.244 4.106 4.350 -0.001 0.000 0.197 338 E C 2.196 178.790 176.600 -0.011 0.000 1.004 338 E CA 1.723 58.117 56.400 -0.011 0.000 0.805 338 E CB -0.432 29.267 29.700 -0.001 0.000 0.744 338 E HN 0.805 nan 8.360 nan 0.000 0.451 339 A N 0.451 123.263 122.820 -0.013 0.000 1.877 339 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 339 A C 2.406 179.978 177.584 -0.019 0.000 1.186 339 A CA 1.917 53.948 52.037 -0.011 0.000 0.620 339 A CB -0.592 18.402 19.000 -0.011 0.000 0.822 339 A HN 0.290 nan 8.150 nan 0.000 0.443 340 S N -0.199 115.484 115.700 -0.028 0.000 2.368 340 S HA -0.101 4.369 4.470 -0.001 0.000 0.225 340 S C 1.806 176.379 174.600 -0.045 0.000 1.030 340 S CA 1.496 59.674 58.200 -0.036 0.000 0.999 340 S CB -0.499 62.677 63.200 -0.040 0.000 0.844 340 S HN 0.545 nan 8.310 nan 0.000 0.459 341 I N 1.518 122.060 120.570 -0.046 0.000 2.226 341 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 341 I C 2.038 178.101 176.117 -0.090 0.000 1.100 341 I CA 1.022 62.283 61.300 -0.064 0.000 1.374 341 I CB -0.482 37.490 38.000 -0.046 0.000 1.057 341 I HN 0.219 nan 8.210 nan 0.000 0.413 342 L N 0.272 121.463 121.223 -0.053 0.000 2.079 342 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 342 L C 2.805 179.645 176.870 -0.051 0.000 1.081 342 L CA 1.495 56.312 54.840 -0.039 0.000 0.752 342 L CB -0.649 41.420 42.059 0.017 0.000 0.896 342 L HN 0.213 nan 8.230 nan 0.000 0.433 343 R N -0.250 120.225 120.500 -0.042 0.000 2.081 343 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 343 R C 2.356 178.617 176.300 -0.066 0.000 1.131 343 R CA 0.916 56.994 56.100 -0.037 0.000 0.960 343 R CB -0.143 30.141 30.300 -0.027 0.000 0.856 343 R HN 0.167 nan 8.270 nan 0.000 0.436 344 K N 0.878 121.223 120.400 -0.092 0.000 2.097 344 K HA -0.058 4.262 4.320 -0.001 0.000 0.205 344 K C 2.073 178.555 176.600 -0.196 0.000 1.050 344 K CA 1.036 57.255 56.287 -0.115 0.000 0.938 344 K CB -0.272 32.166 32.500 -0.102 0.000 0.718 344 K HN 0.203 nan 8.250 nan 0.000 0.442 345 L N 1.073 122.115 121.223 -0.301 0.000 2.141 345 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 345 L C 1.779 178.425 176.870 -0.373 0.000 1.094 345 L CA 1.034 55.512 54.840 -0.605 0.000 0.763 345 L CB -0.304 41.173 42.059 -0.971 0.000 0.908 345 L HN 0.096 nan 8.230 nan 0.000 0.437 346 D N -0.074 120.251 120.400 -0.125 0.000 2.117 346 D HA -0.172 4.468 4.640 -0.001 0.000 0.198 346 D C 1.726 178.027 176.300 0.001 0.000 0.982 346 D CA 1.133 55.145 54.000 0.020 0.000 0.828 346 D CB -0.151 40.672 40.800 0.038 0.000 0.967 346 D HN 0.267 nan 8.370 nan 0.000 0.464 347 D N 0.433 120.807 120.400 -0.042 0.000 2.104 347 D HA -0.138 4.501 4.640 -0.001 0.000 0.194 347 D C 2.153 178.434 176.300 -0.032 0.000 0.994 347 D CA 0.348 54.329 54.000 -0.032 0.000 0.830 347 D CB -0.390 40.384 40.800 -0.044 0.000 0.959 347 D HN 0.112 nan 8.370 nan 0.000 0.452 348 L N 1.178 122.350 121.223 -0.085 0.000 2.012 348 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 348 L C 2.150 179.031 176.870 0.018 0.000 1.073 348 L CA 1.871 56.663 54.840 -0.079 0.000 0.748 348 L CB -0.543 41.388 42.059 -0.214 0.000 0.891 348 L HN 0.039 nan 8.230 nan 0.000 0.431 349 E N -0.664 119.586 120.200 0.083 0.000 2.051 349 E HA -0.298 4.051 4.350 -0.001 0.000 0.192 349 E C 2.444 179.115 176.600 0.119 0.000 0.991 349 E CA 1.193 57.720 56.400 0.212 0.000 0.799 349 E CB -0.240 29.675 29.700 0.359 0.000 0.748 349 E HN 0.478 nan 8.360 nan 0.000 0.449 350 R N 0.496 121.043 120.500 0.079 0.000 2.083 350 R HA -0.168 4.172 4.340 -0.001 0.000 0.237 350 R C 2.401 178.726 176.300 0.042 0.000 1.137 350 R CA 1.943 58.075 56.100 0.054 0.000 0.951 350 R CB -0.370 29.952 30.300 0.037 0.000 0.851 350 R HN 0.276 nan 8.270 nan 0.000 0.434 351 I N 0.829 121.419 120.570 0.032 0.000 2.179 351 I HA -0.231 3.939 4.170 -0.001 0.000 0.242 351 I C 2.671 178.809 176.117 0.035 0.000 1.088 351 I CA 1.270 62.586 61.300 0.026 0.000 1.357 351 I CB -0.457 37.551 38.000 0.015 0.000 1.051 351 I HN 0.323 nan 8.210 nan 0.000 0.409 352 A N 0.777 123.626 122.820 0.047 0.000 1.883 352 A HA -0.279 4.041 4.320 -0.001 0.000 0.217 352 A C 2.356 179.971 177.584 0.051 0.000 1.186 352 A CA 2.085 54.155 52.037 0.054 0.000 0.624 352 A CB -0.585 18.465 19.000 0.084 0.000 0.822 352 A HN 0.273 nan 8.150 nan 0.000 0.444 353 R N -0.258 120.277 120.500 0.057 0.000 2.073 353 R HA -0.099 4.241 4.340 -0.001 0.000 0.234 353 R C 2.382 178.704 176.300 0.038 0.000 1.134 353 R CA 2.032 58.161 56.100 0.049 0.000 0.952 353 R CB -0.456 29.875 30.300 0.052 0.000 0.850 353 R HN 0.591 nan 8.270 nan 0.000 0.433 354 R N -0.373 120.147 120.500 0.034 0.000 2.062 354 R HA -0.023 4.316 4.340 -0.001 0.000 0.229 354 R C 1.067 177.383 176.300 0.026 0.000 1.128 354 R CA 1.771 57.888 56.100 0.028 0.000 0.960 354 R CB -0.127 30.188 30.300 0.024 0.000 0.855 354 R HN 0.222 nan 8.270 nan 0.000 0.432 355 N N -0.944 117.772 118.700 0.027 0.000 2.424 355 N HA 0.066 4.806 4.740 -0.001 0.000 0.178 355 N C 0.995 176.520 175.510 0.025 0.000 1.060 355 N CA 1.136 54.202 53.050 0.026 0.000 0.901 355 N CB 0.912 39.414 38.487 0.026 0.000 0.979 355 N HN 0.525 nan 8.380 nan 0.000 0.451 356 G N 0.277 109.093 108.800 0.027 0.000 2.317 356 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.227 356 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.227 356 G C -0.060 174.848 174.900 0.014 0.000 1.042 356 G CA 0.460 45.575 45.100 0.025 0.000 0.623 356 G HN 0.558 nan 8.290 nan 0.000 0.509 357 Q N -0.850 118.957 119.800 0.011 0.000 2.482 357 Q HA 0.817 5.157 4.340 -0.001 0.000 0.286 357 Q C -0.841 175.166 176.000 0.012 0.000 1.007 357 Q CA -0.489 55.312 55.803 -0.003 0.000 0.801 357 Q CB 2.102 30.819 28.738 -0.034 0.000 1.455 357 Q HN 1.798 nan 8.270 nan 0.000 0.398 358 A N 1.436 124.264 122.820 0.013 0.000 2.612 358 A HA 0.751 5.070 4.320 -0.001 0.000 0.293 358 A C -1.652 175.941 177.584 0.015 0.000 1.075 358 A CA -0.794 51.255 52.037 0.020 0.000 0.680 358 A CB 1.515 20.529 19.000 0.024 0.000 1.279 358 A HN 0.671 nan 8.150 nan 0.000 0.411 359 I N 1.218 121.798 120.570 0.017 0.000 2.436 359 I HA 0.570 4.739 4.170 -0.001 0.000 0.289 359 I C 0.617 176.736 176.117 0.003 0.000 1.010 359 I CA -0.502 60.806 61.300 0.013 0.000 1.098 359 I CB 2.226 40.240 38.000 0.023 0.000 1.266 359 I HN 0.785 nan 8.210 nan 0.000 0.434 360 G N 5.114 113.903 108.800 -0.017 0.000 2.400 360 G HA2 0.690 4.650 3.960 -0.001 0.000 0.333 360 G HA3 0.690 4.650 3.960 -0.001 0.000 0.333 360 G C -0.780 174.107 174.900 -0.023 0.000 1.143 360 G CA -0.525 44.552 45.100 -0.039 0.000 0.914 360 G HN 0.494 nan 8.290 nan 0.000 0.480 361 V N -1.160 118.743 119.914 -0.018 0.000 2.769 361 V HA 0.989 5.109 4.120 -0.001 0.000 0.312 361 V C 0.021 176.109 176.094 -0.009 0.000 1.061 361 V CA -0.708 61.586 62.300 -0.009 0.000 0.931 361 V CB 1.128 32.955 31.823 0.006 0.000 1.010 361 V HN 1.581 nan 8.190 nan 0.000 0.433 362 A N 2.412 125.225 122.820 -0.012 0.000 2.593 362 A HA 0.928 5.248 4.320 -0.001 0.000 0.290 362 A C -0.385 177.178 177.584 -0.036 0.000 1.126 362 A CA -0.569 51.469 52.037 0.001 0.000 0.695 362 A CB 1.663 20.663 19.000 -0.001 0.000 1.290 362 A HN 1.010 nan 8.150 nan 0.000 0.414 363 S N -0.502 115.171 115.700 -0.045 0.000 2.722 363 S HA 0.612 5.082 4.470 -0.001 0.000 0.292 363 S C 0.548 174.970 174.600 -0.297 0.000 1.135 363 S CA 0.154 58.210 58.200 -0.240 0.000 1.003 363 S CB 1.610 64.546 63.200 -0.440 0.000 1.067 363 S HN 1.625 nan 8.310 nan 0.000 0.546 364 A N 1.501 124.067 122.820 -0.423 0.000 3.033 364 A HA 0.393 4.713 4.320 -0.001 0.000 0.250 364 A C -0.420 176.968 177.584 -0.328 0.000 1.633 364 A CA -0.175 51.661 52.037 -0.335 0.000 1.290 364 A CB -1.120 17.664 19.000 -0.359 0.000 1.048 364 A HN 0.491 nan 8.150 nan 0.000 0.648 365 F N -0.138 119.757 119.950 -0.091 0.000 2.410 365 F HA 0.195 4.721 4.527 -0.001 0.000 0.334 365 F C 1.268 177.027 175.800 -0.068 0.000 1.134 365 F CA -0.389 57.567 58.000 -0.073 0.000 1.227 365 F CB 0.547 39.515 39.000 -0.053 0.000 1.194 365 F HN 0.312 nan 8.300 nan 0.000 0.571 366 D N 0.600 121.090 120.400 0.150 0.000 2.133 366 D HA -0.165 4.475 4.640 -0.001 0.000 0.195 366 D C 1.899 178.230 176.300 0.053 0.000 0.997 366 D CA 1.478 55.513 54.000 0.059 0.000 0.840 366 D CB 0.038 40.861 40.800 0.039 0.000 0.947 366 D HN 0.515 nan 8.370 nan 0.000 0.452 367 E N 0.206 120.444 120.200 0.062 0.000 2.106 367 E HA -0.066 4.284 4.350 -0.001 0.000 0.192 367 E C 2.211 178.837 176.600 0.044 0.000 0.984 367 E CA 0.531 56.951 56.400 0.033 0.000 0.806 367 E CB -0.149 29.550 29.700 -0.001 0.000 0.750 367 E HN 0.170 nan 8.360 nan 0.000 0.458 368 S N 1.193 116.943 115.700 0.082 0.000 2.356 368 S HA -0.100 4.370 4.470 -0.001 0.000 0.223 368 S C 2.192 176.814 174.600 0.036 0.000 1.032 368 S CA 0.773 59.012 58.200 0.065 0.000 1.005 368 S CB -0.237 63.028 63.200 0.109 0.000 0.867 368 S HN 0.180 nan 8.310 nan 0.000 0.449 369 I N 1.893 122.479 120.570 0.026 0.000 2.127 369 I HA -0.265 3.904 4.170 -0.001 0.000 0.241 369 I C 2.741 178.875 176.117 0.028 0.000 1.075 369 I CA 1.281 62.586 61.300 0.008 0.000 1.334 369 I CB -0.532 37.455 38.000 -0.022 0.000 1.040 369 I HN 0.276 nan 8.210 nan 0.000 0.405 370 A N 0.561 123.399 122.820 0.030 0.000 1.877 370 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 370 A C 2.515 180.132 177.584 0.055 0.000 1.186 370 A CA 2.011 54.071 52.037 0.037 0.000 0.620 370 A CB -0.924 18.093 19.000 0.029 0.000 0.822 370 A HN 0.450 nan 8.150 nan 0.000 0.443 371 A N -0.303 122.548 122.820 0.052 0.000 1.898 371 A HA -0.008 4.312 4.320 -0.001 0.000 0.216 371 A C 2.131 179.781 177.584 0.109 0.000 1.181 371 A CA 1.442 53.520 52.037 0.068 0.000 0.620 371 A CB -0.551 18.468 19.000 0.032 0.000 0.819 371 A HN 0.483 nan 8.150 nan 0.000 0.442 372 I N -0.281 120.339 120.570 0.083 0.000 2.252 372 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 372 I C 2.681 178.899 176.117 0.167 0.000 1.102 372 I CA 1.263 62.633 61.300 0.117 0.000 1.385 372 I CB -0.296 37.739 38.000 0.059 0.000 1.064 372 I HN 0.222 nan 8.210 nan 0.000 0.414 373 S N 0.664 116.434 115.700 0.115 0.000 2.359 373 S HA -0.279 4.190 4.470 -0.001 0.000 0.223 373 S C 2.017 176.686 174.600 0.116 0.000 1.039 373 S CA 1.703 59.967 58.200 0.107 0.000 1.042 373 S CB -0.320 62.924 63.200 0.073 0.000 0.915 373 S HN 0.373 nan 8.310 nan 0.000 0.439 374 K N -0.394 120.077 120.400 0.119 0.000 2.026 374 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 374 K C 2.043 178.723 176.600 0.135 0.000 1.048 374 K CA 1.500 57.851 56.287 0.106 0.000 0.929 374 K CB -0.322 32.238 32.500 0.100 0.000 0.713 374 K HN 0.480 nan 8.250 nan 0.000 0.439 375 W N 1.515 122.825 121.300 0.016 0.000 2.355 375 W HA -0.176 4.483 4.660 -0.001 0.000 0.309 375 W C 2.114 178.644 176.519 0.018 0.000 1.206 375 W CA 2.146 59.501 57.345 0.016 0.000 1.284 375 W CB -0.263 29.206 29.460 0.015 0.000 1.145 375 W HN 0.041 nan 8.180 nan 0.000 0.502 376 S N 0.158 116.037 115.700 0.299 0.000 2.382 376 S HA -0.174 4.296 4.470 -0.001 0.000 0.228 376 S C 1.631 176.219 174.600 -0.020 0.000 1.027 376 S CA 1.416 59.709 58.200 0.154 0.000 0.991 376 S CB -0.376 62.955 63.200 0.218 0.000 0.823 376 S HN 0.309 nan 8.310 nan 0.000 0.469 377 R N 0.903 121.402 120.500 -0.003 0.000 2.148 377 R HA 0.036 4.375 4.340 -0.001 0.000 0.223 377 R C 1.733 177.980 176.300 -0.088 0.000 1.088 377 R CA 0.970 57.053 56.100 -0.029 0.000 0.985 377 R CB -0.046 30.255 30.300 0.002 0.000 0.880 377 R HN 0.483 nan 8.270 nan 0.000 0.451 378 E N -0.344 119.761 120.200 -0.159 0.000 2.472 378 E HA 0.095 4.445 4.350 -0.001 0.000 0.196 378 E C 1.532 177.938 176.600 -0.325 0.000 1.033 378 E CA 0.212 56.489 56.400 -0.205 0.000 0.886 378 E CB 0.512 30.103 29.700 -0.182 0.000 0.944 378 E HN 0.277 nan 8.360 nan 0.000 0.492 379 A N 1.214 123.757 122.820 -0.461 0.000 1.933 379 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 379 A C 2.346 179.759 177.584 -0.286 0.000 1.175 379 A CA 1.596 53.289 52.037 -0.573 0.000 0.628 379 A CB -1.030 17.552 19.000 -0.698 0.000 0.814 379 A HN 0.354 nan 8.150 nan 0.000 0.444 380 G N -0.401 108.292 108.800 -0.179 0.000 2.450 380 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.220 380 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.220 380 G C 1.443 176.293 174.900 -0.084 0.000 1.130 380 G CA 1.178 46.220 45.100 -0.097 0.000 0.760 380 G HN 0.747 nan 8.290 nan 0.000 0.557 381 G N -0.111 108.628 108.800 -0.101 0.000 2.559 381 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.216 381 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.216 381 G C 1.524 176.381 174.900 -0.071 0.000 1.126 381 G CA 0.053 45.107 45.100 -0.076 0.000 0.778 381 G HN 0.464 nan 8.290 nan 0.000 0.543 382 R N -0.418 120.025 120.500 -0.094 0.000 2.633 382 R HA 0.304 4.644 4.340 -0.001 0.000 0.348 382 R C 1.277 177.550 176.300 -0.045 0.000 1.100 382 R CA 0.235 56.294 56.100 -0.068 0.000 1.068 382 R CB 0.427 30.677 30.300 -0.084 0.000 1.351 382 R HN 0.221 nan 8.270 nan 0.000 0.575 383 G N 1.616 110.394 108.800 -0.037 0.000 2.179 383 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.257 383 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.257 383 G C 0.065 174.962 174.900 -0.004 0.000 1.010 383 G CA 0.118 45.211 45.100 -0.011 0.000 0.736 383 G HN 0.321 nan 8.290 nan 0.000 0.513 384 I N 0.343 120.894 120.570 -0.032 0.000 2.362 384 I HA 0.363 4.533 4.170 -0.001 0.000 0.289 384 I C 0.312 176.422 176.117 -0.012 0.000 0.994 384 I CA -0.648 60.642 61.300 -0.017 0.000 1.158 384 I CB 1.740 39.712 38.000 -0.048 0.000 1.315 384 I HN 0.206 nan 8.210 nan 0.000 0.451 385 E N 7.083 127.301 120.200 0.029 0.000 2.146 385 E HA 0.320 4.670 4.350 -0.001 0.000 0.282 385 E C -0.776 175.848 176.600 0.039 0.000 0.989 385 E CA -0.758 55.672 56.400 0.051 0.000 0.799 385 E CB 0.894 30.665 29.700 0.119 0.000 1.088 385 E HN 0.377 nan 8.360 nan 0.000 0.397 386 I N 6.241 126.840 120.570 0.048 0.000 2.396 386 I HA 0.112 4.282 4.170 -0.001 0.000 0.289 386 I C 0.383 176.526 176.117 0.043 0.000 1.056 386 I CA -0.302 61.036 61.300 0.063 0.000 1.365 386 I CB 0.094 38.153 38.000 0.097 0.000 1.407 386 I HN 0.323 nan 8.210 nan 0.000 0.509 387 V N 3.081 122.986 119.914 -0.015 0.000 2.960 387 V HA 0.927 5.046 4.120 -0.001 0.000 0.315 387 V C 0.495 176.566 176.094 -0.038 0.000 1.087 387 V CA -0.850 61.412 62.300 -0.064 0.000 0.982 387 V CB 1.328 32.948 31.823 -0.338 0.000 1.039 387 V HN 0.786 nan 8.190 nan 0.000 0.437 388 G N 0.613 109.409 108.800 -0.006 0.000 2.559 388 G HA2 0.329 4.289 3.960 -0.001 0.000 0.235 388 G HA3 0.329 4.289 3.960 -0.001 0.000 0.235 388 G C 0.821 175.708 174.900 -0.021 0.000 1.266 388 G CA 0.236 45.350 45.100 0.024 0.000 0.847 388 G HN 1.085 nan 8.290 nan 0.000 0.583 389 V N 1.826 121.746 119.914 0.010 0.000 2.324 389 V HA -0.269 3.851 4.120 -0.001 0.000 0.250 389 V C 3.217 179.305 176.094 -0.009 0.000 1.060 389 V CA 2.786 65.085 62.300 -0.002 0.000 1.042 389 V CB -0.668 31.165 31.823 0.016 0.000 0.650 389 V HN 0.968 nan 8.190 nan 0.000 0.450 390 S N 0.979 116.689 115.700 0.018 0.000 2.400 390 S HA -0.204 4.265 4.470 -0.001 0.000 0.232 390 S C 2.044 176.647 174.600 0.005 0.000 1.025 390 S CA 1.405 59.623 58.200 0.030 0.000 0.993 390 S CB -0.610 62.628 63.200 0.063 0.000 0.808 390 S HN 0.634 nan 8.310 nan 0.000 0.478 391 A N 1.268 124.053 122.820 -0.058 0.000 2.070 391 A HA 0.232 4.551 4.320 -0.001 0.000 0.220 391 A C 2.219 179.690 177.584 -0.188 0.000 1.159 391 A CA 1.199 53.132 52.037 -0.174 0.000 0.656 391 A CB -0.525 18.117 19.000 -0.598 0.000 0.800 391 A HN 0.593 nan 8.150 nan 0.000 0.453 392 L N -1.400 119.741 121.223 -0.136 0.000 2.425 392 L HA 0.121 4.461 4.340 -0.001 0.000 0.215 392 L C 0.744 177.594 176.870 -0.033 0.000 1.065 392 L CA -0.035 54.745 54.840 -0.100 0.000 0.842 392 L CB -0.077 41.927 42.059 -0.092 0.000 1.033 392 L HN 0.110 nan 8.230 nan 0.000 0.474 393 V N 0.000 119.907 119.914 -0.012 0.000 2.409 393 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 393 V CA 0.000 62.306 62.300 0.011 0.000 1.235 393 V CB 0.000 31.834 31.823 0.018 0.000 1.184 393 V HN 0.000 nan 8.190 nan 0.000 0.556