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 1s5l_1_z DATA FIRST_RESID 2001 DATA SEQUENCE MTILFQLALA ALVILSFVMV IGVPVAYASP QDWDRSKQLI FLGSGLWIAL DATA SEQUENCE VLVVGVLN 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.351 176.300 0.085 0.000 1.140 2001 M CA 0.000 55.330 55.300 0.050 0.000 0.988 2001 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2002 T N 3.356 117.961 114.554 0.087 0.000 2.881 2002 T HA -0.022 4.328 4.350 -0.001 0.000 0.270 2002 T C 1.517 176.284 174.700 0.112 0.000 1.068 2002 T CA 1.451 63.617 62.100 0.111 0.000 1.131 2002 T CB -0.239 68.670 68.868 0.068 0.000 0.871 2002 T HN 0.669 nan 8.240 nan 0.000 0.479 2003 I N 0.618 121.236 120.570 0.079 0.000 2.394 2003 I HA -0.110 4.060 4.170 -0.001 0.000 0.251 2003 I C 2.161 178.330 176.117 0.087 0.000 1.136 2003 I CA 1.049 62.390 61.300 0.068 0.000 1.425 2003 I CB -0.378 37.649 38.000 0.045 0.000 1.079 2003 I HN 0.230 nan 8.210 nan 0.000 0.425 2004 L N -0.371 120.907 121.223 0.092 0.000 2.027 2004 L HA -0.215 4.124 4.340 -0.001 0.000 0.206 2004 L C 2.570 179.533 176.870 0.154 0.000 1.074 2004 L CA 1.615 56.505 54.840 0.084 0.000 0.745 2004 L CB -0.591 41.490 42.059 0.035 0.000 0.898 2004 L HN 0.221 nan 8.230 nan 0.000 0.433 2005 F N 0.628 120.590 119.950 0.020 0.000 2.186 2005 F HA -0.232 4.295 4.527 -0.001 0.000 0.299 2005 F C 2.605 178.419 175.800 0.024 0.000 1.090 2005 F CA 0.841 58.855 58.000 0.024 0.000 1.307 2005 F CB 0.161 39.174 39.000 0.022 0.000 1.019 2005 F HN 0.146 nan 8.300 nan 0.000 0.489 2006 Q N 0.125 120.059 119.800 0.223 0.000 2.437 2006 Q HA -0.123 4.217 4.340 -0.001 0.000 0.210 2006 Q C 1.787 177.845 176.000 0.096 0.000 0.972 2006 Q CA 0.862 56.722 55.803 0.095 0.000 0.903 2006 Q CB 0.152 28.919 28.738 0.050 0.000 0.967 2006 Q HN 0.523 nan 8.270 nan 0.000 0.486 2007 L N -1.246 120.049 121.223 0.121 0.000 2.500 2007 L HA 0.195 4.534 4.340 -0.001 0.000 0.219 2007 L C 2.278 179.213 176.870 0.108 0.000 1.057 2007 L CA 0.363 55.256 54.840 0.089 0.000 0.854 2007 L CB -0.276 41.822 42.059 0.066 0.000 1.078 2007 L HN 0.094 nan 8.230 nan 0.000 0.480 2008 A N 0.637 123.546 122.820 0.149 0.000 1.858 2008 A HA -0.215 4.104 4.320 -0.001 0.000 0.216 2008 A C 2.151 179.845 177.584 0.183 0.000 1.190 2008 A CA 1.634 53.757 52.037 0.144 0.000 0.617 2008 A CB -0.629 18.440 19.000 0.115 0.000 0.827 2008 A HN 0.253 nan 8.150 nan 0.000 0.443 2009 L N -0.176 121.203 121.223 0.260 0.000 1.948 2009 L HA -0.070 4.270 4.340 -0.001 0.000 0.212 2009 L C 2.805 179.752 176.870 0.129 0.000 1.074 2009 L CA 2.430 57.396 54.840 0.210 0.000 0.753 2009 L CB -1.111 41.040 42.059 0.154 0.000 0.888 2009 L HN 0.373 nan 8.230 nan 0.000 0.432 2010 A N -0.735 122.143 122.820 0.096 0.000 2.042 2010 A HA -0.256 4.063 4.320 -0.001 0.000 0.222 2010 A C 2.366 179.990 177.584 0.067 0.000 1.167 2010 A CA 2.264 54.340 52.037 0.064 0.000 0.649 2010 A CB -1.202 17.820 19.000 0.037 0.000 0.809 2010 A HN 0.655 nan 8.150 nan 0.000 0.457 2011 A N -0.620 122.248 122.820 0.081 0.000 1.854 2011 A HA 0.045 4.364 4.320 -0.001 0.000 0.214 2011 A C 2.054 179.685 177.584 0.079 0.000 1.192 2011 A CA 1.598 53.679 52.037 0.074 0.000 0.611 2011 A CB -0.642 18.407 19.000 0.082 0.000 0.832 2011 A HN 0.858 nan 8.150 nan 0.000 0.442 2012 L N -0.148 121.135 121.223 0.100 0.000 2.265 2012 L HA -0.043 4.296 4.340 -0.001 0.000 0.215 2012 L C 2.169 179.054 176.870 0.026 0.000 1.117 2012 L CA 1.393 56.280 54.840 0.079 0.000 0.782 2012 L CB -0.622 41.528 42.059 0.150 0.000 0.914 2012 L HN 0.140 nan 8.230 nan 0.000 0.441 2013 V N 0.018 119.987 119.914 0.092 0.000 2.221 2013 V HA -0.290 3.830 4.120 -0.001 0.000 0.240 2013 V C 2.470 178.740 176.094 0.292 0.000 1.041 2013 V CA 2.237 64.645 62.300 0.181 0.000 0.991 2013 V CB -0.323 31.625 31.823 0.209 0.000 0.634 2013 V HN 0.392 nan 8.190 nan 0.000 0.450 2014 I N -0.286 120.399 120.570 0.192 0.000 2.236 2014 I HA -0.318 3.852 4.170 -0.001 0.000 0.249 2014 I C 2.428 178.621 176.117 0.126 0.000 1.102 2014 I CA 1.534 62.916 61.300 0.137 0.000 1.365 2014 I CB -0.575 37.427 38.000 0.004 0.000 1.051 2014 I HN 0.338 nan 8.210 nan 0.000 0.420 2015 L N 0.643 121.894 121.223 0.048 0.000 1.989 2015 L HA -0.235 4.105 4.340 -0.001 0.000 0.211 2015 L C 2.654 179.466 176.870 -0.096 0.000 1.071 2015 L CA 2.099 56.929 54.840 -0.017 0.000 0.749 2015 L CB -0.660 41.376 42.059 -0.039 0.000 0.890 2015 L HN 0.126 nan 8.230 nan 0.000 0.431 2016 S N -0.852 114.726 115.700 -0.203 0.000 2.368 2016 S HA -0.151 4.319 4.470 -0.001 0.000 0.225 2016 S C 1.797 176.272 174.600 -0.209 0.000 1.030 2016 S CA 1.413 59.404 58.200 -0.348 0.000 0.999 2016 S CB -0.672 62.247 63.200 -0.468 0.000 0.844 2016 S HN 0.408 nan 8.310 nan 0.000 0.459 2017 F N 1.679 121.545 119.950 -0.140 0.000 2.087 2017 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 2017 F C 2.411 178.165 175.800 -0.077 0.000 1.100 2017 F CA 1.250 59.195 58.000 -0.091 0.000 1.226 2017 F CB -0.789 38.173 39.000 -0.063 0.000 0.983 2017 F HN 0.010 nan 8.300 nan 0.000 0.479 2018 V N -0.652 119.337 119.914 0.125 0.000 2.221 2018 V HA -0.349 3.770 4.120 -0.001 0.000 0.242 2018 V C 2.273 178.372 176.094 0.008 0.000 1.041 2018 V CA 1.877 64.214 62.300 0.061 0.000 0.995 2018 V CB -0.684 31.169 31.823 0.050 0.000 0.635 2018 V HN 0.266 nan 8.190 nan 0.000 0.448 2019 M N 0.327 119.909 119.600 -0.030 0.000 2.513 2019 M HA -0.268 4.212 4.480 -0.001 0.000 0.256 2019 M C 1.912 178.182 176.300 -0.050 0.000 1.061 2019 M CA 2.213 57.483 55.300 -0.050 0.000 1.065 2019 M CB -0.884 31.625 32.600 -0.151 0.000 1.279 2019 M HN 0.180 nan 8.290 nan 0.000 0.453 2020 V N -0.150 119.703 119.914 -0.103 0.000 2.982 2020 V HA -0.233 3.886 4.120 -0.001 0.000 0.265 2020 V C 1.985 178.047 176.094 -0.053 0.000 1.122 2020 V CA 1.655 63.897 62.300 -0.096 0.000 1.143 2020 V CB -0.998 30.736 31.823 -0.150 0.000 0.726 2020 V HN 0.546 nan 8.190 nan 0.000 0.507 2021 I N -0.556 120.001 120.570 -0.022 0.000 3.339 2021 I HA 0.176 4.346 4.170 -0.001 0.000 0.285 2021 I C 2.385 178.516 176.117 0.024 0.000 1.201 2021 I CA 0.979 62.281 61.300 0.004 0.000 1.434 2021 I CB -0.482 37.532 38.000 0.024 0.000 1.152 2021 I HN 0.301 nan 8.210 nan 0.000 0.443 2022 G N 1.335 110.156 108.800 0.035 0.000 2.456 2022 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.213 2022 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.213 2022 G C 1.651 176.609 174.900 0.095 0.000 1.215 2022 G CA 0.726 45.864 45.100 0.064 0.000 0.805 2022 G HN 0.105 nan 8.290 nan 0.000 0.537 2023 V N 2.404 122.375 119.914 0.095 0.000 2.311 2023 V HA -0.238 3.882 4.120 -0.001 0.000 0.259 2023 V C 0.350 176.544 176.094 0.167 0.000 1.086 2023 V CA 2.681 65.072 62.300 0.152 0.000 1.078 2023 V CB -1.502 30.363 31.823 0.071 0.000 0.668 2023 V HN 0.342 nan 8.190 nan 0.000 0.452 2024 P HA -0.054 nan 4.420 nan 0.000 0.214 2024 P C 1.916 179.288 177.300 0.120 0.000 1.162 2024 P CA 1.180 64.281 63.100 0.002 0.000 0.874 2024 P CB -0.106 31.578 31.700 -0.027 0.000 0.784 2025 V N 0.219 120.200 119.914 0.112 0.000 2.594 2025 V HA -0.218 3.902 4.120 -0.001 0.000 0.253 2025 V C 2.418 178.610 176.094 0.163 0.000 1.069 2025 V CA 1.960 64.329 62.300 0.115 0.000 1.082 2025 V CB -1.859 30.013 31.823 0.082 0.000 0.680 2025 V HN 0.088 nan 8.190 nan 0.000 0.469 2026 A N -1.076 121.874 122.820 0.216 0.000 2.024 2026 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 2026 A C 1.644 179.336 177.584 0.180 0.000 1.164 2026 A CA 1.388 53.549 52.037 0.206 0.000 0.643 2026 A CB -0.659 18.479 19.000 0.231 0.000 0.806 2026 A HN 0.600 nan 8.150 nan 0.000 0.451 2027 Y N -0.352 119.985 120.300 0.061 0.000 2.740 2027 Y HA 0.467 5.017 4.550 -0.000 0.000 0.356 2027 Y C 1.050 176.976 175.900 0.044 0.000 1.101 2027 Y CA -0.366 57.761 58.100 0.046 0.000 1.477 2027 Y CB -0.502 37.972 38.460 0.022 0.000 1.296 2027 Y HN 0.276 nan 8.280 nan 0.000 0.507 2028 A N -0.626 122.288 122.820 0.156 0.000 3.056 2028 A HA 0.349 4.669 4.320 -0.001 0.000 0.328 2028 A C 1.673 179.313 177.584 0.094 0.000 1.233 2028 A CA 0.154 52.258 52.037 0.111 0.000 0.965 2028 A CB -0.116 18.942 19.000 0.096 0.000 1.123 2028 A HN 0.332 nan 8.150 nan 0.000 0.502 2029 S N 2.530 118.280 115.700 0.083 0.000 2.509 2029 S HA -0.186 4.284 4.470 -0.001 0.000 0.285 2029 S C 0.167 174.829 174.600 0.103 0.000 1.185 2029 S CA 2.510 60.762 58.200 0.087 0.000 1.152 2029 S CB -0.631 62.602 63.200 0.056 0.000 1.088 2029 S HN 0.664 nan 8.310 nan 0.000 0.446 2030 P HA 0.090 nan 4.420 nan 0.000 0.249 2030 P C -0.212 177.124 177.300 0.059 0.000 1.241 2030 P CA 0.480 63.619 63.100 0.064 0.000 0.781 2030 P CB -0.187 31.542 31.700 0.048 0.000 1.088 2031 Q N 1.097 120.939 119.800 0.071 0.000 2.401 2031 Q HA 0.159 4.499 4.340 -0.001 0.000 0.260 2031 Q C -0.732 175.307 176.000 0.066 0.000 1.034 2031 Q CA -0.733 55.104 55.803 0.056 0.000 0.737 2031 Q CB 0.653 29.425 28.738 0.057 0.000 1.227 2031 Q HN -0.064 nan 8.270 nan 0.000 0.488 2032 D N 3.470 123.888 120.400 0.029 0.000 3.883 2032 D HA -0.218 4.421 4.640 -0.001 0.000 0.188 2032 D C 0.738 177.042 176.300 0.006 0.000 1.056 2032 D CA 0.851 54.834 54.000 -0.028 0.000 0.706 2032 D CB 0.425 41.161 40.800 -0.107 0.000 1.163 2032 D HN 0.701 nan 8.370 nan 0.000 0.585 2033 W N 2.843 124.133 121.300 -0.017 0.000 2.737 2033 W HA 0.003 4.663 4.660 -0.001 0.000 0.262 2033 W C 0.888 177.401 176.519 -0.010 0.000 1.282 2033 W CA -0.044 57.284 57.345 -0.029 0.000 1.386 2033 W CB -0.471 28.953 29.460 -0.060 0.000 1.099 2033 W HN 0.188 nan 8.180 nan 0.000 0.621 2034 D N 1.731 121.608 120.400 -0.871 0.000 2.106 2034 D HA -0.205 4.434 4.640 -0.001 0.000 0.191 2034 D C 2.322 178.439 176.300 -0.305 0.000 0.997 2034 D CA 2.633 56.129 54.000 -0.840 0.000 0.834 2034 D CB -0.287 40.075 40.800 -0.729 0.000 0.956 2034 D HN 0.072 nan 8.370 nan 0.000 0.448 2035 R N 0.221 120.601 120.500 -0.201 0.000 2.073 2035 R HA 0.044 4.384 4.340 -0.001 0.000 0.229 2035 R C 2.410 178.707 176.300 -0.005 0.000 1.120 2035 R CA 1.032 57.080 56.100 -0.086 0.000 0.967 2035 R CB -0.172 30.085 30.300 -0.070 0.000 0.862 2035 R HN 0.049 nan 8.270 nan 0.000 0.436 2036 S N 0.950 116.668 115.700 0.031 0.000 2.368 2036 S HA -0.092 4.377 4.470 -0.001 0.000 0.224 2036 S C 1.700 176.392 174.600 0.154 0.000 1.029 2036 S CA 1.176 59.433 58.200 0.094 0.000 0.988 2036 S CB -0.020 63.247 63.200 0.112 0.000 0.838 2036 S HN 0.219 nan 8.310 nan 0.000 0.462 2037 K N 1.038 121.564 120.400 0.209 0.000 2.283 2037 K HA -0.008 4.312 4.320 -0.001 0.000 0.202 2037 K C 2.366 179.176 176.600 0.351 0.000 1.048 2037 K CA 0.662 57.153 56.287 0.339 0.000 0.948 2037 K CB -0.039 32.767 32.500 0.510 0.000 0.742 2037 K HN 0.348 nan 8.250 nan 0.000 0.458 2038 Q N 0.491 120.386 119.800 0.158 0.000 1.948 2038 Q HA -0.167 4.172 4.340 -0.001 0.000 0.205 2038 Q C 1.978 178.087 176.000 0.181 0.000 0.992 2038 Q CA 1.738 57.590 55.803 0.082 0.000 0.849 2038 Q CB -0.222 28.521 28.738 0.008 0.000 0.918 2038 Q HN 0.273 nan 8.270 nan 0.000 0.421 2039 L N 0.371 121.680 121.223 0.143 0.000 2.197 2039 L HA -0.261 4.078 4.340 -0.001 0.000 0.215 2039 L C 2.302 179.287 176.870 0.192 0.000 1.095 2039 L CA 0.936 55.860 54.840 0.140 0.000 0.764 2039 L CB -0.735 41.386 42.059 0.104 0.000 0.897 2039 L HN 0.295 nan 8.230 nan 0.000 0.436 2040 I N -0.453 120.272 120.570 0.258 0.000 2.090 2040 I HA -0.285 3.885 4.170 -0.001 0.000 0.236 2040 I C 2.328 178.588 176.117 0.238 0.000 1.064 2040 I CA 1.554 62.993 61.300 0.231 0.000 1.324 2040 I CB -0.275 37.846 38.000 0.202 0.000 1.044 2040 I HN 0.078 nan 8.210 nan 0.000 0.399 2041 F N 0.139 120.147 119.950 0.097 0.000 2.373 2041 F HA -0.200 4.327 4.527 -0.001 0.000 0.300 2041 F C 2.040 177.891 175.800 0.085 0.000 1.080 2041 F CA 0.794 58.846 58.000 0.086 0.000 1.417 2041 F CB -0.833 38.208 39.000 0.069 0.000 1.070 2041 F HN 0.086 nan 8.300 nan 0.000 0.546 2042 L N 0.091 121.486 121.223 0.287 0.000 2.034 2042 L HA 0.120 4.459 4.340 -0.001 0.000 0.203 2042 L C 2.625 179.599 176.870 0.173 0.000 1.074 2042 L CA 1.957 56.910 54.840 0.188 0.000 0.748 2042 L CB -1.407 40.739 42.059 0.144 0.000 0.905 2042 L HN 0.099 nan 8.230 nan 0.000 0.439 2043 G N -1.528 107.375 108.800 0.171 0.000 2.440 2043 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 2043 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 2043 G C 1.534 176.594 174.900 0.267 0.000 1.154 2043 G CA 1.036 46.241 45.100 0.175 0.000 0.767 2043 G HN 0.482 nan 8.290 nan 0.000 0.552 2044 S N 0.760 116.609 115.700 0.249 0.000 2.368 2044 S HA -0.013 4.457 4.470 -0.001 0.000 0.224 2044 S C 2.489 177.186 174.600 0.162 0.000 1.029 2044 S CA 1.100 59.450 58.200 0.251 0.000 0.988 2044 S CB -0.555 62.712 63.200 0.112 0.000 0.838 2044 S HN 0.518 nan 8.310 nan 0.000 0.462 2045 G N 1.900 110.791 108.800 0.153 0.000 2.414 2045 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.215 2045 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.215 2045 G C 1.393 176.365 174.900 0.120 0.000 1.188 2045 G CA 0.728 45.898 45.100 0.117 0.000 0.783 2045 G HN 0.378 nan 8.290 nan 0.000 0.537 2046 L N -0.342 120.973 121.223 0.153 0.000 2.012 2046 L HA -0.032 4.308 4.340 -0.001 0.000 0.210 2046 L C 2.459 179.460 176.870 0.219 0.000 1.073 2046 L CA 1.942 56.875 54.840 0.155 0.000 0.748 2046 L CB -0.536 41.611 42.059 0.146 0.000 0.891 2046 L HN 0.461 nan 8.230 nan 0.000 0.431 2047 W N 0.538 121.860 121.300 0.038 0.000 2.322 2047 W HA -0.264 4.396 4.660 -0.001 0.000 0.326 2047 W C 2.488 179.022 176.519 0.025 0.000 1.224 2047 W CA 2.038 59.403 57.345 0.033 0.000 1.257 2047 W CB -1.074 28.404 29.460 0.029 0.000 1.174 2047 W HN 0.303 nan 8.180 nan 0.000 0.460 2048 I N 1.163 121.624 120.570 -0.182 0.000 2.381 2048 I HA -0.337 3.832 4.170 -0.001 0.000 0.255 2048 I C 2.057 178.107 176.117 -0.112 0.000 1.140 2048 I CA 2.173 63.270 61.300 -0.338 0.000 1.404 2048 I CB -0.564 37.266 38.000 -0.283 0.000 1.075 2048 I HN 0.113 nan 8.210 nan 0.000 0.433 2049 A N 0.980 123.798 122.820 -0.003 0.000 1.854 2049 A HA -0.092 4.228 4.320 -0.001 0.000 0.214 2049 A C 2.172 179.781 177.584 0.041 0.000 1.192 2049 A CA 1.209 53.257 52.037 0.018 0.000 0.611 2049 A CB -0.804 18.221 19.000 0.042 0.000 0.832 2049 A HN 0.488 nan 8.150 nan 0.000 0.442 2050 L N -0.463 120.822 121.223 0.103 0.000 2.042 2050 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 2050 L C 2.496 179.432 176.870 0.111 0.000 1.076 2050 L CA 1.066 55.979 54.840 0.122 0.000 0.749 2050 L CB -0.738 41.438 42.059 0.195 0.000 0.893 2050 L HN 0.234 nan 8.230 nan 0.000 0.432 2051 V N 0.480 120.469 119.914 0.125 0.000 2.324 2051 V HA -0.295 3.824 4.120 -0.001 0.000 0.250 2051 V C 2.297 178.403 176.094 0.020 0.000 1.060 2051 V CA 1.872 64.219 62.300 0.080 0.000 1.042 2051 V CB -0.271 31.521 31.823 -0.050 0.000 0.650 2051 V HN 0.384 nan 8.190 nan 0.000 0.450 2052 L N -1.403 119.814 121.223 -0.010 0.000 2.341 2052 L HA -0.024 4.316 4.340 -0.001 0.000 0.214 2052 L C 2.278 179.126 176.870 -0.036 0.000 1.115 2052 L CA 0.382 55.207 54.840 -0.026 0.000 0.820 2052 L CB -0.583 41.456 42.059 -0.033 0.000 0.944 2052 L HN 0.184 nan 8.230 nan 0.000 0.452 2053 V N -0.409 119.485 119.914 -0.033 0.000 2.255 2053 V HA -0.204 3.915 4.120 -0.001 0.000 0.243 2053 V C 2.502 178.506 176.094 -0.151 0.000 1.038 2053 V CA 1.337 63.594 62.300 -0.071 0.000 1.008 2053 V CB -0.185 31.609 31.823 -0.049 0.000 0.645 2053 V HN 0.120 nan 8.190 nan 0.000 0.449 2054 V N 1.079 120.908 119.914 -0.141 0.000 2.250 2054 V HA -0.310 3.810 4.120 -0.001 0.000 0.250 2054 V C 2.667 178.615 176.094 -0.245 0.000 1.060 2054 V CA 2.562 64.689 62.300 -0.288 0.000 1.030 2054 V CB -1.595 30.249 31.823 0.035 0.000 0.643 2054 V HN 0.641 nan 8.190 nan 0.000 0.445 2055 G N -0.370 108.388 108.800 -0.069 0.000 2.553 2055 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.218 2055 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.218 2055 G C 1.631 176.491 174.900 -0.067 0.000 1.195 2055 G CA 1.437 46.518 45.100 -0.031 0.000 0.779 2055 G HN 0.414 nan 8.290 nan 0.000 0.577 2056 V N 1.039 120.902 119.914 -0.085 0.000 2.720 2056 V HA -0.082 4.037 4.120 -0.001 0.000 0.256 2056 V C 2.800 178.827 176.094 -0.111 0.000 1.082 2056 V CA 1.190 63.443 62.300 -0.078 0.000 1.101 2056 V CB -0.306 31.478 31.823 -0.066 0.000 0.693 2056 V HN 0.356 nan 8.190 nan 0.000 0.479 2057 L N -0.967 120.129 121.223 -0.213 0.000 2.217 2057 L HA 0.019 4.358 4.340 -0.001 0.000 0.211 2057 L C 1.075 177.858 176.870 -0.145 0.000 1.107 2057 L CA 0.451 55.131 54.840 -0.267 0.000 0.783 2057 L CB -0.496 41.211 42.059 -0.587 0.000 0.919 2057 L HN 0.469 nan 8.230 nan 0.000 0.442 2058 N N 0.000 118.654 118.700 -0.076 0.000 1.763 2058 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 2058 N CA 0.000 53.095 53.050 0.076 0.000 0.885 2058 N CB 0.000 38.514 38.487 0.044 0.000 1.341 2058 N HN 0.000 nan 8.380 nan 0.000 0.667