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 2i52_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLYDPAEKYF NCTDIQRAFF EAGIKLGAIF HQYTGIPVNS ENASMAEEFI DATA SEQUENCE ERSTMIQPFV ENVRISINNV KXXXXXYSYS SLNEKMLHAE VLINYNGKKV DATA SEQUENCE LGVLNYDEGL DYPVMYAKEV L 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.692 174.600 0.153 0.000 1.055 0 S CA 0.000 58.291 58.200 0.151 0.000 1.107 0 S CB 0.000 63.312 63.200 0.187 0.000 0.593 1 L N 0.197 121.502 121.223 0.137 0.000 2.217 1 L HA 0.018 4.358 4.340 -0.001 0.000 0.211 1 L C 2.303 179.260 176.870 0.146 0.000 1.107 1 L CA 1.477 56.387 54.840 0.116 0.000 0.783 1 L CB -0.595 41.518 42.059 0.090 0.000 0.919 1 L HN 0.840 nan 8.230 nan 0.000 0.442 2 Y N 0.812 121.157 120.300 0.074 0.000 2.145 2 Y HA -0.190 4.359 4.550 -0.001 0.000 0.286 2 Y C 0.859 176.887 175.900 0.213 0.000 1.145 2 Y CA 1.448 59.611 58.100 0.105 0.000 1.148 2 Y CB 0.199 38.708 38.460 0.083 0.000 0.981 2 Y HN 0.092 nan 8.280 nan 0.000 0.507 3 D N -0.966 119.570 120.400 0.227 0.000 2.363 3 D HA 0.256 4.896 4.640 -0.001 0.000 0.258 3 D C -2.456 173.996 176.300 0.253 0.000 1.259 3 D CA -2.358 51.810 54.000 0.279 0.000 0.921 3 D CB 1.237 42.300 40.800 0.437 0.000 1.201 3 D HN -0.036 nan 8.370 nan 0.000 0.524 4 P HA 0.029 nan 4.420 nan 0.000 0.228 4 P C 0.619 178.072 177.300 0.255 0.000 1.151 4 P CA 0.591 63.800 63.100 0.181 0.000 0.770 4 P CB 0.379 32.153 31.700 0.123 0.000 0.786 5 A N -0.147 122.866 122.820 0.322 0.000 2.423 5 A HA 0.047 4.367 4.320 -0.001 0.000 0.246 5 A C 1.871 179.812 177.584 0.594 0.000 1.278 5 A CA -0.163 52.158 52.037 0.474 0.000 0.903 5 A CB -0.776 18.439 19.000 0.358 0.000 0.997 5 A HN 0.256 nan 8.150 nan 0.000 0.510 6 E N 1.604 122.062 120.200 0.430 0.000 2.204 6 E HA -0.296 4.053 4.350 -0.001 0.000 0.195 6 E C 1.514 178.339 176.600 0.375 0.000 0.990 6 E CA 1.485 58.126 56.400 0.401 0.000 0.821 6 E CB -0.531 29.349 29.700 0.300 0.000 0.750 6 E HN 0.728 nan 8.360 nan 0.000 0.477 7 K N 0.068 120.629 120.400 0.268 0.000 2.280 7 K HA -0.158 4.162 4.320 -0.001 0.000 0.202 7 K C 1.315 177.933 176.600 0.030 0.000 1.047 7 K CA 1.260 57.609 56.287 0.103 0.000 0.942 7 K CB -0.413 32.077 32.500 -0.016 0.000 0.739 7 K HN 0.192 nan 8.250 nan 0.000 0.457 8 Y N 0.320 120.665 120.300 0.075 0.000 2.561 8 Y HA 0.114 4.663 4.550 -0.001 0.000 0.291 8 Y C 0.316 176.031 175.900 -0.308 0.000 1.141 8 Y CA 0.182 58.190 58.100 -0.153 0.000 1.303 8 Y CB 0.118 38.392 38.460 -0.309 0.000 1.015 8 Y HN -0.100 nan 8.280 nan 0.000 0.547 9 F N 0.349 120.359 119.950 0.100 0.000 2.507 9 F HA 0.277 4.804 4.527 0.001 0.000 0.327 9 F C 0.629 176.430 175.800 0.001 0.000 1.068 9 F CA -1.036 56.969 58.000 0.009 0.000 0.965 9 F CB 1.181 40.163 39.000 -0.029 0.000 1.192 9 F HN -0.100 nan 8.300 nan 0.000 0.476 10 N N -0.503 118.296 118.700 0.165 0.000 2.143 10 N HA 0.097 4.836 4.740 -0.001 0.000 0.229 10 N C -0.424 175.135 175.510 0.081 0.000 1.294 10 N CA -0.354 52.754 53.050 0.096 0.000 0.883 10 N CB -0.667 37.846 38.487 0.042 0.000 1.148 10 N HN 0.490 nan 8.380 nan 0.000 0.511 11 C N 0.385 119.748 119.300 0.105 0.000 2.480 11 C HA 0.832 5.291 4.460 -0.001 0.000 0.358 11 C C 1.262 176.280 174.990 0.046 0.000 1.309 11 C CA -0.586 58.468 59.018 0.059 0.000 2.465 11 C CB 0.301 28.074 27.740 0.054 0.000 2.379 11 C HN 0.461 nan 8.230 nan 0.000 0.642 12 T N -0.925 113.652 114.554 0.038 0.000 2.828 12 T HA 0.191 4.541 4.350 -0.001 0.000 0.290 12 T C 0.635 175.366 174.700 0.052 0.000 1.019 12 T CA 0.103 62.233 62.100 0.050 0.000 1.031 12 T CB 0.466 69.365 68.868 0.052 0.000 1.001 12 T HN 0.722 nan 8.240 nan 0.000 0.531 13 D N 0.189 120.648 120.400 0.099 0.000 2.144 13 D HA -0.085 4.554 4.640 -0.001 0.000 0.199 13 D C 1.790 178.168 176.300 0.131 0.000 0.984 13 D CA 0.767 54.876 54.000 0.180 0.000 0.834 13 D CB -0.266 40.650 40.800 0.192 0.000 0.955 13 D HN 0.520 nan 8.370 nan 0.000 0.465 14 I N 0.978 121.621 120.570 0.122 0.000 2.315 14 I HA -0.221 3.949 4.170 -0.001 0.000 0.248 14 I C 2.050 178.319 176.117 0.254 0.000 1.117 14 I CA 1.368 62.770 61.300 0.171 0.000 1.404 14 I CB -0.199 37.913 38.000 0.186 0.000 1.071 14 I HN -0.081 nan 8.210 nan 0.000 0.419 15 Q N -0.354 119.545 119.800 0.165 0.000 2.124 15 Q HA -0.241 4.098 4.340 -0.001 0.000 0.202 15 Q C 2.331 178.408 176.000 0.129 0.000 0.977 15 Q CA 1.596 57.492 55.803 0.155 0.000 0.850 15 Q CB -0.239 28.537 28.738 0.063 0.000 0.901 15 Q HN 0.314 nan 8.270 nan 0.000 0.429 16 R N 0.886 121.358 120.500 -0.047 0.000 2.081 16 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 16 R C 1.917 178.119 176.300 -0.163 0.000 1.131 16 R CA 1.620 57.555 56.100 -0.275 0.000 0.960 16 R CB -0.678 29.088 30.300 -0.891 0.000 0.856 16 R HN 0.240 nan 8.270 nan 0.000 0.436 17 A N -0.395 122.377 122.820 -0.081 0.000 1.877 17 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 17 A C 2.115 179.666 177.584 -0.056 0.000 1.186 17 A CA 1.442 53.444 52.037 -0.059 0.000 0.620 17 A CB -0.846 18.128 19.000 -0.043 0.000 0.822 17 A HN 0.376 nan 8.150 nan 0.000 0.443 18 F N -1.261 118.705 119.950 0.027 0.000 2.095 18 F HA -0.171 4.355 4.527 -0.001 0.000 0.298 18 F C 2.054 177.901 175.800 0.079 0.000 1.104 18 F CA 1.934 59.963 58.000 0.049 0.000 1.232 18 F CB -0.697 38.340 39.000 0.062 0.000 0.987 18 F HN 0.357 nan 8.300 nan 0.000 0.475 19 F N 1.399 121.432 119.950 0.137 0.000 2.069 19 F HA -0.229 4.298 4.527 -0.001 0.000 0.298 19 F C 2.413 178.238 175.800 0.041 0.000 1.113 19 F CA 1.818 59.866 58.000 0.079 0.000 1.214 19 F CB -0.586 38.453 39.000 0.065 0.000 0.978 19 F HN -0.086 nan 8.300 nan 0.000 0.474 20 E N 0.598 120.726 120.200 -0.119 0.000 2.077 20 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 20 E C 2.447 178.963 176.600 -0.139 0.000 0.989 20 E CA 1.183 57.473 56.400 -0.184 0.000 0.800 20 E CB -0.964 28.713 29.700 -0.039 0.000 0.746 20 E HN 0.501 nan 8.360 nan 0.000 0.452 21 A N 1.368 124.131 122.820 -0.094 0.000 1.908 21 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 21 A C 2.504 180.040 177.584 -0.081 0.000 1.181 21 A CA 2.041 54.023 52.037 -0.092 0.000 0.627 21 A CB -1.142 17.784 19.000 -0.122 0.000 0.818 21 A HN 0.345 nan 8.150 nan 0.000 0.445 22 G N 0.064 108.822 108.800 -0.071 0.000 2.421 22 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.216 22 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.216 22 G C 1.537 176.370 174.900 -0.112 0.000 1.171 22 G CA 1.127 46.191 45.100 -0.060 0.000 0.775 22 G HN 0.479 nan 8.290 nan 0.000 0.543 23 I N 0.337 120.768 120.570 -0.232 0.000 2.118 23 I HA -0.205 3.964 4.170 -0.001 0.000 0.241 23 I C 2.817 178.876 176.117 -0.096 0.000 1.070 23 I CA 1.437 62.611 61.300 -0.210 0.000 1.327 23 I CB -0.122 37.690 38.000 -0.314 0.000 1.034 23 I HN 0.032 nan 8.210 nan 0.000 0.405 24 K N 0.713 121.062 120.400 -0.084 0.000 2.097 24 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 24 K C 1.925 178.524 176.600 -0.002 0.000 1.049 24 K CA 1.342 57.607 56.287 -0.037 0.000 0.933 24 K CB -0.419 32.056 32.500 -0.042 0.000 0.717 24 K HN 0.267 nan 8.250 nan 0.000 0.442 25 L N -0.968 120.247 121.223 -0.014 0.000 2.072 25 L HA -0.029 4.310 4.340 -0.001 0.000 0.205 25 L C 2.371 179.292 176.870 0.084 0.000 1.079 25 L CA 1.354 56.203 54.840 0.015 0.000 0.752 25 L CB -0.869 41.173 42.059 -0.027 0.000 0.906 25 L HN 0.323 nan 8.230 nan 0.000 0.436 26 G N -0.089 108.754 108.800 0.072 0.000 2.446 26 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 26 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 26 G C 1.788 176.820 174.900 0.220 0.000 1.168 26 G CA 0.906 46.102 45.100 0.159 0.000 0.771 26 G HN 0.449 nan 8.290 nan 0.000 0.551 27 A N 0.795 123.676 122.820 0.101 0.000 1.865 27 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 27 A C 2.434 180.071 177.584 0.088 0.000 1.191 27 A CA 1.485 53.562 52.037 0.066 0.000 0.623 27 A CB -0.433 18.575 19.000 0.013 0.000 0.826 27 A HN 0.379 nan 8.150 nan 0.000 0.444 28 I N -2.081 118.583 120.570 0.157 0.000 2.179 28 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 28 I C 2.368 178.621 176.117 0.227 0.000 1.088 28 I CA 1.744 63.210 61.300 0.277 0.000 1.357 28 I CB -0.364 37.759 38.000 0.206 0.000 1.051 28 I HN 0.445 nan 8.210 nan 0.000 0.409 29 F N 1.156 121.127 119.950 0.034 0.000 2.095 29 F HA -0.291 4.236 4.527 -0.001 0.000 0.298 29 F C 2.696 178.387 175.800 -0.181 0.000 1.104 29 F CA 1.925 59.873 58.000 -0.086 0.000 1.232 29 F CB -0.322 38.581 39.000 -0.162 0.000 0.987 29 F HN 0.139 nan 8.300 nan 0.000 0.475 30 H N -1.585 117.534 119.070 0.080 0.000 2.482 30 H HA -0.034 4.522 4.556 -0.000 0.000 0.286 30 H C 1.935 177.166 175.328 -0.161 0.000 1.017 30 H CA 1.125 57.153 56.048 -0.034 0.000 1.322 30 H CB -0.035 29.763 29.762 0.060 0.000 1.426 30 H HN 0.317 nan 8.280 nan 0.000 0.546 31 Q N 0.513 120.212 119.800 -0.168 0.000 2.096 31 Q HA -0.093 4.247 4.340 -0.001 0.000 0.197 31 Q C 1.112 176.809 176.000 -0.504 0.000 0.964 31 Q CA 1.462 56.991 55.803 -0.457 0.000 0.838 31 Q CB 0.032 28.255 28.738 -0.860 0.000 0.906 31 Q HN 0.398 nan 8.270 nan 0.000 0.444 32 Y N -0.315 119.940 120.300 -0.076 0.000 2.507 32 Y HA 0.225 4.775 4.550 -0.000 0.000 0.263 32 Y C 0.658 176.484 175.900 -0.123 0.000 1.093 32 Y CA 0.356 58.413 58.100 -0.072 0.000 1.285 32 Y CB -0.381 38.046 38.460 -0.055 0.000 1.115 32 Y HN -0.035 nan 8.280 nan 0.000 0.533 33 T N -1.291 113.181 114.554 -0.135 0.000 2.946 33 T HA 0.361 4.711 4.350 -0.001 0.000 0.311 33 T C 1.521 176.143 174.700 -0.129 0.000 1.063 33 T CA 0.575 62.541 62.100 -0.223 0.000 1.139 33 T CB 0.935 69.496 68.868 -0.512 0.000 0.994 33 T HN 0.681 nan 8.240 nan 0.000 0.547 34 G N 2.381 111.130 108.800 -0.086 0.000 2.234 34 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.235 34 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.235 34 G C 0.235 175.139 174.900 0.007 0.000 0.997 34 G CA -0.201 44.874 45.100 -0.040 0.000 0.623 34 G HN 1.413 nan 8.290 nan 0.000 0.514 35 I N 0.308 120.894 120.570 0.026 0.000 2.648 35 I HA 0.530 4.700 4.170 -0.001 0.000 0.284 35 I C -2.156 173.998 176.117 0.062 0.000 1.153 35 I CA -1.978 59.353 61.300 0.051 0.000 1.426 35 I CB 0.497 38.550 38.000 0.089 0.000 1.381 35 I HN -0.097 nan 8.210 nan 0.000 0.571 36 P HA 0.157 nan 4.420 nan 0.000 0.271 36 P C -0.710 176.635 177.300 0.076 0.000 1.226 36 P CA -0.060 63.101 63.100 0.102 0.000 0.765 36 P CB 1.189 32.792 31.700 -0.162 0.000 0.835 37 V N 4.086 124.093 119.914 0.156 0.000 2.686 37 V HA 0.617 4.736 4.120 -0.001 0.000 0.306 37 V C -0.788 175.381 176.094 0.124 0.000 1.065 37 V CA -0.371 61.987 62.300 0.096 0.000 0.894 37 V CB 1.860 33.719 31.823 0.061 0.000 1.004 37 V HN 0.773 nan 8.190 nan 0.000 0.424 38 N N 3.381 122.133 118.700 0.087 0.000 3.479 38 N HA 0.402 5.142 4.740 -0.001 0.000 0.336 38 N C 0.510 176.046 175.510 0.044 0.000 1.623 38 N CA 0.057 53.155 53.050 0.079 0.000 0.759 38 N CB 0.990 39.543 38.487 0.111 0.000 2.016 38 N HN 0.240 nan 8.380 nan 0.000 0.637 39 S N -0.383 115.338 115.700 0.036 0.000 2.402 39 S HA -0.063 4.407 4.470 -0.001 0.000 0.229 39 S C 1.154 175.762 174.600 0.015 0.000 1.021 39 S CA 0.973 59.186 58.200 0.022 0.000 0.974 39 S CB -0.476 62.736 63.200 0.019 0.000 0.800 39 S HN 0.589 nan 8.310 nan 0.000 0.484 40 E N 2.024 122.232 120.200 0.015 0.000 2.153 40 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 40 E C 1.563 178.161 176.600 -0.003 0.000 0.988 40 E CA 1.281 57.683 56.400 0.003 0.000 0.811 40 E CB -0.118 29.581 29.700 -0.001 0.000 0.746 40 E HN 0.607 nan 8.360 nan 0.000 0.466 41 N N -0.604 118.097 118.700 0.001 0.000 2.159 41 N HA 0.146 4.885 4.740 -0.001 0.000 0.217 41 N C 1.249 176.763 175.510 0.006 0.000 1.223 41 N CA 0.622 53.670 53.050 -0.005 0.000 0.896 41 N CB 0.203 38.680 38.487 -0.018 0.000 1.064 41 N HN 0.036 nan 8.380 nan 0.000 0.518 42 A N 0.939 123.766 122.820 0.012 0.000 1.933 42 A HA -0.041 4.279 4.320 -0.001 0.000 0.218 42 A C 2.292 179.883 177.584 0.011 0.000 1.175 42 A CA 1.730 53.776 52.037 0.015 0.000 0.628 42 A CB -0.736 18.273 19.000 0.016 0.000 0.814 42 A HN 0.334 nan 8.150 nan 0.000 0.444 43 S N -1.077 114.628 115.700 0.008 0.000 2.368 43 S HA -0.118 4.351 4.470 -0.001 0.000 0.224 43 S C 2.018 176.625 174.600 0.013 0.000 1.029 43 S CA 1.547 59.751 58.200 0.007 0.000 0.988 43 S CB -0.312 62.891 63.200 0.005 0.000 0.838 43 S HN 0.668 nan 8.310 nan 0.000 0.462 44 M N 1.264 120.872 119.600 0.013 0.000 2.319 44 M HA -0.027 4.452 4.480 -0.001 0.000 0.265 44 M C 2.019 178.354 176.300 0.058 0.000 1.068 44 M CA 1.136 56.451 55.300 0.025 0.000 1.118 44 M CB -0.291 32.310 32.600 0.000 0.000 1.395 44 M HN 0.346 nan 8.290 nan 0.000 0.435 45 A N 0.709 123.554 122.820 0.043 0.000 1.865 45 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 45 A C 1.838 179.430 177.584 0.015 0.000 1.191 45 A CA 2.155 54.225 52.037 0.056 0.000 0.623 45 A CB -0.872 18.147 19.000 0.031 0.000 0.826 45 A HN 0.667 nan 8.150 nan 0.000 0.444 46 E N -0.814 119.382 120.200 -0.006 0.000 2.058 46 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 46 E C 2.131 178.706 176.600 -0.042 0.000 0.997 46 E CA 1.341 57.719 56.400 -0.036 0.000 0.801 46 E CB -0.180 29.511 29.700 -0.015 0.000 0.746 46 E HN 0.805 nan 8.360 nan 0.000 0.450 47 E N 0.104 120.306 120.200 0.002 0.000 2.077 47 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 47 E C 1.886 178.506 176.600 0.033 0.000 0.989 47 E CA 0.853 57.262 56.400 0.014 0.000 0.800 47 E CB -0.102 29.619 29.700 0.035 0.000 0.746 47 E HN 0.173 nan 8.360 nan 0.000 0.452 48 F N 1.306 121.203 119.950 -0.088 0.000 2.102 48 F HA -0.125 4.402 4.527 -0.001 0.000 0.298 48 F C 1.905 177.606 175.800 -0.165 0.000 1.105 48 F CA 1.336 59.279 58.000 -0.095 0.000 1.239 48 F CB -0.275 38.682 39.000 -0.070 0.000 0.991 48 F HN 0.003 nan 8.300 nan 0.000 0.474 49 I N 0.238 120.528 120.570 -0.466 0.000 2.226 49 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 49 I C 2.330 178.174 176.117 -0.456 0.000 1.100 49 I CA 1.651 62.502 61.300 -0.749 0.000 1.374 49 I CB -0.648 36.875 38.000 -0.795 0.000 1.057 49 I HN 0.176 nan 8.210 nan 0.000 0.413 50 E N 0.709 120.750 120.200 -0.266 0.000 2.038 50 E HA -0.250 4.099 4.350 -0.001 0.000 0.195 50 E C 2.387 178.892 176.600 -0.157 0.000 1.000 50 E CA 1.328 57.629 56.400 -0.166 0.000 0.803 50 E CB -0.110 29.532 29.700 -0.095 0.000 0.750 50 E HN 0.412 nan 8.360 nan 0.000 0.448 51 R N 0.202 120.609 120.500 -0.156 0.000 2.092 51 R HA -0.047 4.293 4.340 -0.001 0.000 0.231 51 R C 2.515 178.717 176.300 -0.164 0.000 1.119 51 R CA 1.280 57.311 56.100 -0.115 0.000 0.970 51 R CB -0.050 30.227 30.300 -0.037 0.000 0.864 51 R HN 0.019 nan 8.270 nan 0.000 0.440 52 S N -0.210 115.298 115.700 -0.319 0.000 2.387 52 S HA -0.074 4.396 4.470 -0.001 0.000 0.226 52 S C 1.849 176.355 174.600 -0.158 0.000 1.026 52 S CA 1.479 59.503 58.200 -0.293 0.000 0.972 52 S CB -0.063 62.819 63.200 -0.530 0.000 0.814 52 S HN 0.353 nan 8.310 nan 0.000 0.477 53 T N 2.515 116.975 114.554 -0.158 0.000 2.821 53 T HA 0.055 4.405 4.350 -0.001 0.000 0.267 53 T C 1.757 176.409 174.700 -0.080 0.000 1.046 53 T CA 0.857 62.903 62.100 -0.090 0.000 1.139 53 T CB -0.215 68.601 68.868 -0.088 0.000 0.871 53 T HN 0.205 nan 8.240 nan 0.000 0.454 54 M N 1.461 121.008 119.600 -0.087 0.000 2.279 54 M HA 0.061 4.541 4.480 -0.001 0.000 0.264 54 M C 2.265 178.525 176.300 -0.066 0.000 1.062 54 M CA 1.080 56.340 55.300 -0.066 0.000 1.099 54 M CB -0.955 31.611 32.600 -0.058 0.000 1.394 54 M HN 0.444 nan 8.290 nan 0.000 0.426 55 I N -2.038 118.489 120.570 -0.071 0.000 3.111 55 I HA -0.054 4.115 4.170 -0.001 0.000 0.272 55 I C 0.543 176.605 176.117 -0.092 0.000 1.268 55 I CA 0.109 61.368 61.300 -0.069 0.000 1.467 55 I CB -0.198 37.770 38.000 -0.052 0.000 1.087 55 I HN 0.153 nan 8.210 nan 0.000 0.467 56 Q N 2.256 121.999 119.800 -0.095 0.000 2.312 56 Q HA 0.358 4.697 4.340 -0.001 0.000 0.236 56 Q C -2.248 173.640 176.000 -0.188 0.000 0.965 56 Q CA -2.030 53.703 55.803 -0.117 0.000 0.894 56 Q CB 0.242 28.933 28.738 -0.079 0.000 1.225 56 Q HN 0.128 nan 8.270 nan 0.000 0.478 57 P HA -0.043 nan 4.420 nan 0.000 0.267 57 P C -0.925 176.053 177.300 -0.536 0.000 1.205 57 P CA 0.275 62.969 63.100 -0.677 0.000 0.765 57 P CB 0.144 31.332 31.700 -0.853 0.000 0.828 58 F N -0.564 119.349 119.950 -0.062 0.000 2.794 58 F HA -0.197 4.329 4.527 -0.002 0.000 0.335 58 F C 0.257 176.055 175.800 -0.003 0.000 0.653 58 F CA -0.010 57.984 58.000 -0.009 0.000 1.266 58 F CB -2.528 36.501 39.000 0.048 0.000 1.666 58 F HN 0.038 nan 8.300 nan 0.000 0.314 59 V N 1.435 121.378 119.914 0.048 0.000 2.455 59 V HA 0.150 4.269 4.120 -0.001 0.000 0.273 59 V C 1.271 177.377 176.094 0.020 0.000 1.045 59 V CA 0.601 62.914 62.300 0.023 0.000 0.976 59 V CB 1.602 33.411 31.823 -0.022 0.000 0.993 59 V HN 0.396 nan 8.190 nan 0.000 0.475 60 E N 4.311 124.526 120.200 0.025 0.000 2.244 60 E HA 0.093 4.442 4.350 -0.001 0.000 0.196 60 E C 0.673 177.273 176.600 0.001 0.000 0.939 60 E CA 0.138 56.551 56.400 0.020 0.000 0.884 60 E CB 0.440 30.158 29.700 0.030 0.000 0.850 60 E HN 0.775 nan 8.360 nan 0.000 0.481 61 N N -0.354 118.340 118.700 -0.009 0.000 2.446 61 N HA 0.201 4.941 4.740 -0.001 0.000 0.272 61 N C -1.938 173.555 175.510 -0.028 0.000 1.127 61 N CA -0.377 52.663 53.050 -0.017 0.000 0.896 61 N CB 2.328 40.808 38.487 -0.012 0.000 1.658 61 N HN -0.112 nan 8.380 nan 0.000 0.483 62 V N 2.823 122.717 119.914 -0.034 0.000 2.623 62 V HA 0.603 4.722 4.120 -0.001 0.000 0.304 62 V C -0.469 175.604 176.094 -0.035 0.000 1.054 62 V CA -0.791 61.483 62.300 -0.044 0.000 0.882 62 V CB 1.784 33.568 31.823 -0.066 0.000 1.002 62 V HN 0.549 nan 8.190 nan 0.000 0.424 63 R N 4.473 124.960 120.500 -0.022 0.000 2.393 63 R HA 0.637 4.977 4.340 -0.001 0.000 0.315 63 R C -1.416 174.892 176.300 0.015 0.000 0.952 63 R CA -0.636 55.466 56.100 0.002 0.000 0.842 63 R CB 2.202 32.521 30.300 0.030 0.000 1.163 63 R HN 0.505 nan 8.270 nan 0.000 0.450 64 I N 1.382 121.955 120.570 0.004 0.000 2.406 64 I HA 0.259 4.429 4.170 -0.001 0.000 0.290 64 I C 0.273 176.416 176.117 0.044 0.000 0.999 64 I CA -0.463 60.843 61.300 0.011 0.000 1.124 64 I CB 1.781 39.744 38.000 -0.062 0.000 1.289 64 I HN 0.369 nan 8.210 nan 0.000 0.441 65 S N 7.250 123.010 115.700 0.101 0.000 2.478 65 S HA 0.707 5.177 4.470 -0.001 0.000 0.312 65 S C -0.713 173.928 174.600 0.068 0.000 1.094 65 S CA -0.514 57.727 58.200 0.069 0.000 1.081 65 S CB 0.790 64.014 63.200 0.039 0.000 1.007 65 S HN 0.413 nan 8.310 nan 0.000 0.475 66 I N 5.511 126.101 120.570 0.033 0.000 2.330 66 I HA 0.408 4.577 4.170 -0.001 0.000 0.289 66 I C -0.122 176.007 176.117 0.019 0.000 1.001 66 I CA -0.668 60.649 61.300 0.028 0.000 1.193 66 I CB 1.240 39.249 38.000 0.015 0.000 1.345 66 I HN 0.579 nan 8.210 nan 0.000 0.461 67 N N 5.342 124.055 118.700 0.021 0.000 2.471 67 N HA 0.358 5.098 4.740 -0.001 0.000 0.288 67 N C -0.241 175.271 175.510 0.003 0.000 1.220 67 N CA -0.712 52.345 53.050 0.011 0.000 0.893 67 N CB 0.935 39.433 38.487 0.018 0.000 1.256 67 N HN 0.434 nan 8.380 nan 0.000 0.534 68 N N -0.968 117.732 118.700 0.000 0.000 2.727 68 N HA -0.135 4.604 4.740 -0.001 0.000 0.249 68 N C -0.695 174.811 175.510 -0.008 0.000 1.048 68 N CA 0.417 53.464 53.050 -0.006 0.000 0.714 68 N CB -1.648 36.829 38.487 -0.017 0.000 0.959 68 N HN 0.265 nan 8.380 nan 0.000 0.544 69 V N -0.518 119.397 119.914 0.002 0.000 2.881 69 V HA 0.164 4.284 4.120 -0.001 0.000 0.303 69 V C 1.354 177.455 176.094 0.011 0.000 1.070 69 V CA -0.460 61.845 62.300 0.009 0.000 1.074 69 V CB 1.110 32.943 31.823 0.018 0.000 1.012 69 V HN 0.128 nan 8.190 nan 0.000 0.482 77 S N 0.844 116.658 115.700 0.190 0.000 2.573 77 S HA 0.428 4.898 4.470 -0.001 0.000 0.244 77 S C -0.719 174.024 174.600 0.237 0.000 0.984 77 S CA -0.179 58.113 58.200 0.154 0.000 1.001 77 S CB -0.606 62.666 63.200 0.120 0.000 0.788 77 S HN 0.639 nan 8.310 nan 0.000 0.456 78 Y N -1.450 118.898 120.300 0.080 0.000 2.677 78 Y HA 0.761 5.311 4.550 -0.001 0.000 0.334 78 Y C -0.992 174.922 175.900 0.024 0.000 1.196 78 Y CA -0.900 57.225 58.100 0.041 0.000 1.059 78 Y CB 0.588 39.068 38.460 0.033 0.000 1.315 78 Y HN 0.179 nan 8.280 nan 0.000 0.455 79 S N 0.363 116.050 115.700 -0.022 0.000 2.661 79 S HA 0.703 5.173 4.470 -0.001 0.000 0.285 79 S C -1.280 173.358 174.600 0.063 0.000 1.138 79 S CA -1.017 57.097 58.200 -0.143 0.000 0.855 79 S CB 1.492 64.622 63.200 -0.116 0.000 1.136 79 S HN 0.788 nan 8.310 nan 0.000 0.484 80 S N 1.321 117.020 115.700 -0.002 0.000 2.510 80 S HA 0.275 4.745 4.470 -0.001 0.000 0.279 80 S C -0.008 174.586 174.600 -0.011 0.000 1.284 80 S CA -0.532 57.684 58.200 0.028 0.000 1.059 80 S CB -0.014 63.179 63.200 -0.012 0.000 0.901 80 S HN 0.666 nan 8.310 nan 0.000 0.491 81 L N 5.108 126.331 121.223 -0.001 0.000 2.615 81 L HA 0.134 4.473 4.340 -0.001 0.000 0.271 81 L C 0.143 176.959 176.870 -0.089 0.000 1.183 81 L CA 0.414 55.236 54.840 -0.031 0.000 0.933 81 L CB -0.541 41.512 42.059 -0.010 0.000 1.199 81 L HN 0.779 nan 8.230 nan 0.000 0.487 82 N N 1.698 120.337 118.700 -0.102 0.000 2.619 82 N HA 0.282 5.022 4.740 -0.001 0.000 0.294 82 N C 0.347 175.772 175.510 -0.141 0.000 1.279 82 N CA -0.173 52.791 53.050 -0.143 0.000 0.867 82 N CB 0.327 38.740 38.487 -0.122 0.000 1.329 82 N HN 0.593 nan 8.380 nan 0.000 0.557 83 E N -0.330 119.802 120.200 -0.114 0.000 2.265 83 E HA -0.198 4.151 4.350 -0.001 0.000 0.196 83 E C 0.669 177.227 176.600 -0.070 0.000 0.996 83 E CA 1.040 57.481 56.400 0.069 0.000 0.832 83 E CB -0.248 29.640 29.700 0.313 0.000 0.756 83 E HN 0.577 nan 8.360 nan 0.000 0.491 84 K N -0.071 120.109 120.400 -0.366 0.000 2.305 84 K HA 0.086 4.406 4.320 -0.001 0.000 0.199 84 K C 1.892 178.389 176.600 -0.172 0.000 1.047 84 K CA 0.985 56.919 56.287 -0.588 0.000 0.976 84 K CB 0.075 32.178 32.500 -0.662 0.000 0.765 84 K HN 0.235 nan 8.250 nan 0.000 0.474 85 M N 0.194 119.739 119.600 -0.092 0.000 2.516 85 M HA 0.072 4.551 4.480 -0.001 0.000 0.259 85 M C 0.121 176.440 176.300 0.032 0.000 1.146 85 M CA 0.048 55.333 55.300 -0.025 0.000 1.122 85 M CB 0.395 32.973 32.600 -0.038 0.000 1.341 85 M HN -0.008 nan 8.290 nan 0.000 0.478 86 L N 0.941 122.194 121.223 0.049 0.000 2.264 86 L HA 0.338 4.677 4.340 -0.001 0.000 0.289 86 L C -0.804 176.160 176.870 0.157 0.000 1.044 86 L CA -0.124 54.765 54.840 0.082 0.000 0.807 86 L CB 0.332 42.415 42.059 0.040 0.000 1.192 86 L HN 0.067 nan 8.230 nan 0.000 0.425 87 H N 4.215 123.315 119.070 0.051 0.000 2.538 87 H HA 0.850 5.406 4.556 -0.001 0.000 0.353 87 H C -1.263 174.080 175.328 0.025 0.000 1.109 87 H CA -0.172 55.909 56.048 0.056 0.000 1.192 87 H CB 1.634 31.429 29.762 0.054 0.000 1.555 87 H HN 0.843 nan 8.280 nan 0.000 0.518 88 A N 4.175 126.773 122.820 -0.369 0.000 2.449 88 A HA 0.527 4.847 4.320 -0.001 0.000 0.302 88 A C -1.243 176.166 177.584 -0.291 0.000 1.048 88 A CA -0.810 51.104 52.037 -0.205 0.000 0.708 88 A CB 1.527 20.463 19.000 -0.107 0.000 1.274 88 A HN 0.828 nan 8.150 nan 0.000 0.410 89 E N 0.985 121.103 120.200 -0.136 0.000 2.244 89 E HA 0.508 4.858 4.350 -0.001 0.000 0.260 89 E C -1.519 175.028 176.600 -0.088 0.000 0.884 89 E CA -0.615 55.714 56.400 -0.119 0.000 0.777 89 E CB 2.388 32.069 29.700 -0.031 0.000 1.197 89 E HN 0.344 nan 8.360 nan 0.000 0.416 90 V N 3.828 123.679 119.914 -0.106 0.000 2.407 90 V HA 0.269 4.389 4.120 -0.001 0.000 0.291 90 V C -0.726 175.321 176.094 -0.079 0.000 1.018 90 V CA -0.846 61.406 62.300 -0.081 0.000 0.842 90 V CB 1.437 33.214 31.823 -0.078 0.000 0.996 90 V HN 0.517 nan 8.190 nan 0.000 0.426 91 L N 6.890 128.081 121.223 -0.054 0.000 2.264 91 L HA 0.564 4.904 4.340 -0.001 0.000 0.289 91 L C -0.415 176.441 176.870 -0.022 0.000 1.044 91 L CA 0.247 55.059 54.840 -0.046 0.000 0.807 91 L CB 0.675 42.717 42.059 -0.029 0.000 1.192 91 L HN 0.399 nan 8.230 nan 0.000 0.425 92 I N 4.858 125.410 120.570 -0.030 0.000 2.392 92 I HA 0.362 4.531 4.170 -0.001 0.000 0.295 92 I C -0.207 175.935 176.117 0.041 0.000 0.985 92 I CA -0.441 60.871 61.300 0.020 0.000 1.221 92 I CB 1.517 39.512 38.000 -0.009 0.000 1.366 92 I HN 0.617 nan 8.210 nan 0.000 0.467 93 N N 6.141 124.913 118.700 0.121 0.000 2.491 93 N HA 0.185 4.925 4.740 -0.001 0.000 0.274 93 N C -1.812 173.828 175.510 0.217 0.000 1.023 93 N CA -0.361 52.764 53.050 0.126 0.000 0.902 93 N CB 1.116 39.669 38.487 0.110 0.000 1.267 93 N HN 0.463 nan 8.380 nan 0.000 0.503 94 Y N 4.119 124.417 120.300 -0.003 0.000 2.345 94 Y HA 0.288 4.837 4.550 -0.001 0.000 0.331 94 Y C 0.144 176.040 175.900 -0.007 0.000 0.959 94 Y CA -0.343 57.710 58.100 -0.078 0.000 1.204 94 Y CB 0.513 38.767 38.460 -0.344 0.000 1.135 94 Y HN 0.541 nan 8.280 nan 0.000 0.477 95 N N 4.270 122.708 118.700 -0.437 0.000 2.721 95 N HA -0.220 4.519 4.740 -0.001 0.000 0.249 95 N C 0.910 176.316 175.510 -0.173 0.000 1.072 95 N CA 1.685 54.496 53.050 -0.398 0.000 0.710 95 N CB -1.224 37.005 38.487 -0.430 0.000 0.993 95 N HN 1.254 nan 8.380 nan 0.000 0.547 96 G N -2.094 106.647 108.800 -0.098 0.000 2.217 96 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.246 96 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.246 96 G C -0.036 174.857 174.900 -0.012 0.000 0.990 96 G CA 0.580 45.650 45.100 -0.050 0.000 0.627 96 G HN 0.339 nan 8.290 nan 0.000 0.522 97 K N 1.208 121.614 120.400 0.009 0.000 2.258 97 K HA 0.531 4.851 4.320 -0.001 0.000 0.284 97 K C 0.113 176.723 176.600 0.016 0.000 1.051 97 K CA -0.054 56.249 56.287 0.028 0.000 0.923 97 K CB 1.414 33.952 32.500 0.062 0.000 1.046 97 K HN 0.390 nan 8.250 nan 0.000 0.474 98 K N 1.358 121.749 120.400 -0.015 0.000 2.345 98 K HA 0.520 4.840 4.320 -0.001 0.000 0.255 98 K C -0.879 175.649 176.600 -0.120 0.000 0.934 98 K CA -0.814 55.447 56.287 -0.043 0.000 0.801 98 K CB 2.117 34.602 32.500 -0.024 0.000 1.137 98 K HN 0.135 nan 8.250 nan 0.000 0.424 99 V N 3.581 123.388 119.914 -0.178 0.000 2.623 99 V HA 0.283 4.402 4.120 -0.001 0.000 0.304 99 V C -1.252 174.708 176.094 -0.224 0.000 1.054 99 V CA -0.927 61.176 62.300 -0.327 0.000 0.882 99 V CB 1.826 33.267 31.823 -0.636 0.000 1.002 99 V HN 0.573 nan 8.190 nan 0.000 0.424 100 L N 4.827 125.935 121.223 -0.192 0.000 2.255 100 L HA 0.803 5.143 4.340 -0.001 0.000 0.289 100 L C 0.628 177.379 176.870 -0.197 0.000 1.046 100 L CA 0.463 55.212 54.840 -0.150 0.000 0.816 100 L CB 0.807 42.808 42.059 -0.096 0.000 1.197 100 L HN 0.737 nan 8.230 nan 0.000 0.427 101 G N 4.652 113.333 108.800 -0.198 0.000 2.356 101 G HA2 0.567 4.527 3.960 -0.001 0.000 0.298 101 G HA3 0.567 4.527 3.960 -0.001 0.000 0.298 101 G C -1.282 173.430 174.900 -0.313 0.000 1.145 101 G CA -0.382 44.579 45.100 -0.232 0.000 0.850 101 G HN 0.485 nan 8.290 nan 0.000 0.487 102 V N 2.943 122.548 119.914 -0.514 0.000 2.588 102 V HA 0.429 4.548 4.120 -0.001 0.000 0.304 102 V C -0.554 175.279 176.094 -0.435 0.000 1.042 102 V CA -0.850 61.100 62.300 -0.582 0.000 0.877 102 V CB 1.618 32.916 31.823 -0.875 0.000 0.996 102 V HN 0.738 nan 8.190 nan 0.000 0.425 103 L N 4.487 125.517 121.223 -0.322 0.000 2.296 103 L HA 0.781 5.121 4.340 -0.001 0.000 0.286 103 L C -0.626 176.136 176.870 -0.180 0.000 1.023 103 L CA 0.319 55.059 54.840 -0.166 0.000 0.812 103 L CB 1.215 43.228 42.059 -0.076 0.000 1.223 103 L HN 0.785 nan 8.230 nan 0.000 0.421 104 N N 3.098 121.829 118.700 0.052 0.000 2.455 104 N HA 0.219 4.959 4.740 -0.001 0.000 0.285 104 N C -1.886 173.761 175.510 0.229 0.000 1.080 104 N CA -0.492 52.690 53.050 0.220 0.000 0.932 104 N CB 0.919 39.619 38.487 0.354 0.000 1.610 104 N HN 0.516 nan 8.380 nan 0.000 0.493 105 Y N 2.597 122.982 120.300 0.141 0.000 2.496 105 Y HA 0.160 4.709 4.550 -0.001 0.000 0.334 105 Y C -0.109 175.856 175.900 0.108 0.000 1.080 105 Y CA 0.299 58.461 58.100 0.102 0.000 1.355 105 Y CB 0.428 38.943 38.460 0.092 0.000 1.193 105 Y HN 0.433 nan 8.280 nan 0.000 0.523 106 D N 6.135 126.301 120.400 -0.389 0.000 2.359 106 D HA 0.061 4.701 4.640 -0.001 0.000 0.230 106 D C 0.396 176.440 176.300 -0.426 0.000 1.118 106 D CA 0.012 53.859 54.000 -0.254 0.000 0.844 106 D CB 0.969 41.687 40.800 -0.138 0.000 1.059 106 D HN 0.808 nan 8.370 nan 0.000 0.493 107 E N 2.073 122.183 120.200 -0.150 0.000 2.106 107 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 107 E C 1.791 178.371 176.600 -0.032 0.000 0.984 107 E CA 0.660 57.048 56.400 -0.020 0.000 0.806 107 E CB 0.189 29.961 29.700 0.119 0.000 0.750 107 E HN 0.666 nan 8.360 nan 0.000 0.458 108 G N 1.523 110.299 108.800 -0.041 0.000 2.433 108 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.216 108 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.216 108 G C 1.556 176.430 174.900 -0.044 0.000 1.186 108 G CA 0.428 45.510 45.100 -0.030 0.000 0.779 108 G HN 0.107 nan 8.290 nan 0.000 0.543 109 L N -0.168 121.009 121.223 -0.076 0.000 2.395 109 L HA 0.112 4.451 4.340 -0.001 0.000 0.218 109 L C 1.052 177.894 176.870 -0.048 0.000 1.130 109 L CA 0.606 55.406 54.840 -0.066 0.000 0.826 109 L CB -0.359 41.661 42.059 -0.065 0.000 0.941 109 L HN 0.289 nan 8.230 nan 0.000 0.451 110 D N -0.815 119.515 120.400 -0.116 0.000 2.697 110 D HA -0.295 4.345 4.640 -0.001 0.000 0.238 110 D C -0.686 175.612 176.300 -0.003 0.000 1.152 110 D CA 0.648 54.605 54.000 -0.071 0.000 0.666 110 D CB -0.846 40.009 40.800 0.091 0.000 1.037 110 D HN 0.313 nan 8.370 nan 0.000 0.423 111 Y N -0.919 119.103 120.300 -0.464 0.000 2.480 111 Y HA 0.437 4.986 4.550 -0.001 0.000 0.329 111 Y C -2.547 173.204 175.900 -0.248 0.000 1.127 111 Y CA -2.036 55.941 58.100 -0.206 0.000 1.037 111 Y CB 1.801 40.185 38.460 -0.128 0.000 1.320 111 Y HN -0.132 nan 8.280 nan 0.000 0.446 112 P HA 0.156 nan 4.420 nan 0.000 0.256 112 P C -0.674 176.453 177.300 -0.289 0.000 1.689 112 P CA 0.191 63.163 63.100 -0.213 0.000 1.124 112 P CB 0.403 31.984 31.700 -0.198 0.000 1.766 113 V N 5.257 125.172 119.914 0.001 0.000 2.585 113 V HA 0.047 4.166 4.120 -0.001 0.000 0.296 113 V C 0.969 177.144 176.094 0.136 0.000 1.035 113 V CA 0.662 63.058 62.300 0.160 0.000 1.084 113 V CB -0.158 31.776 31.823 0.185 0.000 0.953 113 V HN 0.448 nan 8.190 nan 0.000 0.483 114 M N 7.133 126.812 119.600 0.131 0.000 2.167 114 M HA 0.522 5.001 4.480 -0.001 0.000 0.333 114 M C -0.814 175.609 176.300 0.204 0.000 1.030 114 M CA -0.371 54.981 55.300 0.087 0.000 0.963 114 M CB 1.306 33.909 32.600 0.006 0.000 1.589 114 M HN 0.781 nan 8.290 nan 0.000 0.431 115 Y N 0.971 121.290 120.300 0.032 0.000 2.638 115 Y HA 0.995 5.545 4.550 -0.001 0.000 0.339 115 Y C -1.390 174.552 175.900 0.069 0.000 1.084 115 Y CA -1.380 56.757 58.100 0.062 0.000 1.068 115 Y CB 1.472 39.967 38.460 0.059 0.000 1.294 115 Y HN 0.668 nan 8.280 nan 0.000 0.480 116 A N 1.827 124.781 122.820 0.223 0.000 2.549 116 A HA 0.815 5.134 4.320 -0.001 0.000 0.297 116 A C -1.689 176.060 177.584 0.274 0.000 1.061 116 A CA -1.135 50.971 52.037 0.115 0.000 0.690 116 A CB 1.897 20.968 19.000 0.118 0.000 1.287 116 A HN 0.749 nan 8.150 nan 0.000 0.402 117 K N 0.888 121.337 120.400 0.082 0.000 2.468 117 K HA 0.400 4.720 4.320 -0.001 0.000 0.252 117 K C -0.738 175.831 176.600 -0.051 0.000 0.932 117 K CA -0.527 55.842 56.287 0.137 0.000 0.794 117 K CB 2.602 35.195 32.500 0.155 0.000 1.241 117 K HN 0.829 nan 8.250 nan 0.000 0.428 118 E N 2.252 122.476 120.200 0.041 0.000 2.384 118 E HA 0.203 4.552 4.350 -0.001 0.000 0.266 118 E C -0.757 175.844 176.600 0.002 0.000 1.012 118 E CA -0.523 55.858 56.400 -0.030 0.000 0.901 118 E CB 0.724 30.497 29.700 0.123 0.000 0.967 118 E HN 0.372 nan 8.360 nan 0.000 0.435 119 V N 1.956 121.854 119.914 -0.026 0.000 3.040 119 V HA 0.516 4.636 4.120 -0.001 0.000 0.312 119 V C -0.170 175.924 176.094 -0.000 0.000 1.115 119 V CA -1.109 61.188 62.300 -0.005 0.000 0.998 119 V CB 1.427 33.241 31.823 -0.014 0.000 1.042 119 V HN 0.673 nan 8.190 nan 0.000 0.433 120 L N 0.000 121.228 121.223 0.008 0.000 2.949 120 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 120 L CA 0.000 54.845 54.840 0.008 0.000 0.813 120 L CB 0.000 42.066 42.059 0.012 0.000 0.961 120 L HN 0.000 nan 8.230 nan 0.000 0.502