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 2v2s_1_A DATA FIRST_RESID 1 DATA SEQUENCE SSQIRQNYST EVEAAVNRLV NLYLRASYTY LSLGFYFDRD DVALEGVCHF DATA SEQUENCE FRELAEEKME GAERLLKMQN QRGGRALFQD LQKPSQDEWG TTPDAMKAAI DATA SEQUENCE VLEKSLNQAL LDLHALGSAQ ADPHLCDFLE SHFLDEEVKL IKKMGDHLTN DATA SEQUENCE IQRLVGSQAG LGEYLFERLT 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.597 174.600 -0.005 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 2 S N 0.581 116.278 115.700 -0.005 0.000 2.523 2 S HA 0.242 4.711 4.470 -0.001 0.000 0.275 2 S C 1.171 175.762 174.600 -0.015 0.000 1.281 2 S CA 0.097 58.290 58.200 -0.010 0.000 1.050 2 S CB 0.701 63.895 63.200 -0.010 0.000 0.937 2 S HN 0.817 nan 8.310 nan 0.000 0.492 3 Q N 4.607 124.395 119.800 -0.019 0.000 2.436 3 Q HA -0.022 4.317 4.340 -0.001 0.000 0.209 3 Q C 1.271 177.254 176.000 -0.029 0.000 0.965 3 Q CA 1.350 57.141 55.803 -0.021 0.000 0.910 3 Q CB -0.375 28.352 28.738 -0.019 0.000 0.980 3 Q HN 0.952 nan 8.270 nan 0.000 0.491 4 I N -3.224 117.323 120.570 -0.040 0.000 4.312 4 I HA 0.302 4.471 4.170 -0.001 0.000 0.324 4 I C 0.881 176.959 176.117 -0.064 0.000 1.298 4 I CA -0.731 60.535 61.300 -0.056 0.000 1.231 4 I CB 0.198 38.153 38.000 -0.075 0.000 1.152 4 I HN -0.118 nan 8.210 nan 0.000 0.421 5 R N 3.149 123.620 120.500 -0.049 0.000 2.522 5 R HA 0.137 4.477 4.340 -0.001 0.000 0.284 5 R C -0.457 175.834 176.300 -0.015 0.000 1.032 5 R CA 0.512 56.592 56.100 -0.035 0.000 1.049 5 R CB 0.354 30.662 30.300 0.013 0.000 0.956 5 R HN 0.523 nan 8.270 nan 0.000 0.422 6 Q N 3.817 123.609 119.800 -0.013 0.000 2.280 6 Q HA 0.073 4.412 4.340 -0.001 0.000 0.259 6 Q C -1.088 174.929 176.000 0.027 0.000 0.964 6 Q CA -0.533 55.269 55.803 -0.002 0.000 0.844 6 Q CB 1.152 29.874 28.738 -0.026 0.000 1.334 6 Q HN 0.823 nan 8.270 nan 0.000 0.423 7 N N 2.134 120.860 118.700 0.044 0.000 2.741 7 N HA -0.256 4.483 4.740 -0.001 0.000 0.250 7 N C -2.129 173.454 175.510 0.123 0.000 1.115 7 N CA 1.025 54.109 53.050 0.057 0.000 0.724 7 N CB -0.991 37.521 38.487 0.042 0.000 1.090 7 N HN 0.587 nan 8.380 nan 0.000 0.558 8 Y N 0.844 121.116 120.300 -0.047 0.000 2.464 8 Y HA 0.471 5.021 4.550 -0.001 0.000 0.326 8 Y C 0.170 176.042 175.900 -0.047 0.000 0.969 8 Y CA -0.755 57.313 58.100 -0.054 0.000 1.270 8 Y CB 0.406 38.822 38.460 -0.072 0.000 1.103 8 Y HN 0.216 nan 8.280 nan 0.000 0.491 9 S N 1.605 117.131 115.700 -0.291 0.000 2.585 9 S HA 0.067 4.536 4.470 -0.001 0.000 0.273 9 S C 1.337 175.735 174.600 -0.338 0.000 1.339 9 S CA 0.067 58.123 58.200 -0.240 0.000 1.028 9 S CB 1.169 64.262 63.200 -0.178 0.000 0.906 9 S HN 0.805 nan 8.310 nan 0.000 0.528 10 T N -0.386 114.050 114.554 -0.196 0.000 2.881 10 T HA -0.123 4.226 4.350 -0.001 0.000 0.270 10 T C 1.192 175.782 174.700 -0.183 0.000 1.068 10 T CA 1.470 63.467 62.100 -0.171 0.000 1.131 10 T CB -0.640 68.170 68.868 -0.097 0.000 0.871 10 T HN 0.694 nan 8.240 nan 0.000 0.479 11 E N 0.882 120.980 120.200 -0.170 0.000 2.072 11 E HA 0.025 4.375 4.350 -0.001 0.000 0.191 11 E C 2.391 178.883 176.600 -0.181 0.000 0.985 11 E CA 0.806 57.122 56.400 -0.140 0.000 0.801 11 E CB -0.587 29.050 29.700 -0.106 0.000 0.750 11 E HN 0.353 nan 8.360 nan 0.000 0.452 12 V N 1.076 120.826 119.914 -0.274 0.000 2.358 12 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 12 V C 2.358 178.244 176.094 -0.346 0.000 1.047 12 V CA 1.954 64.072 62.300 -0.303 0.000 1.035 12 V CB -0.398 31.189 31.823 -0.393 0.000 0.658 12 V HN 0.329 nan 8.190 nan 0.000 0.452 13 E N 0.543 120.433 120.200 -0.517 0.000 2.070 13 E HA -0.276 4.074 4.350 -0.001 0.000 0.197 13 E C 2.178 178.695 176.600 -0.139 0.000 1.004 13 E CA 1.738 57.956 56.400 -0.304 0.000 0.805 13 E CB -0.233 29.322 29.700 -0.242 0.000 0.744 13 E HN 0.559 nan 8.360 nan 0.000 0.451 14 A N 1.031 123.769 122.820 -0.136 0.000 1.898 14 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 14 A C 2.389 179.930 177.584 -0.073 0.000 1.181 14 A CA 1.628 53.611 52.037 -0.090 0.000 0.620 14 A CB -0.679 18.275 19.000 -0.077 0.000 0.819 14 A HN 0.430 nan 8.150 nan 0.000 0.442 15 A N -0.559 122.214 122.820 -0.079 0.000 1.972 15 A HA 0.034 4.353 4.320 -0.001 0.000 0.219 15 A C 2.184 179.745 177.584 -0.039 0.000 1.169 15 A CA 1.663 53.670 52.037 -0.050 0.000 0.635 15 A CB -0.774 18.196 19.000 -0.050 0.000 0.810 15 A HN 0.350 nan 8.150 nan 0.000 0.446 16 V N 0.919 120.802 119.914 -0.052 0.000 2.358 16 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 16 V C 2.296 178.362 176.094 -0.047 0.000 1.047 16 V CA 2.060 64.335 62.300 -0.041 0.000 1.035 16 V CB -0.902 30.911 31.823 -0.017 0.000 0.658 16 V HN 0.549 nan 8.190 nan 0.000 0.452 17 N N 0.285 118.945 118.700 -0.067 0.000 2.104 17 N HA -0.146 4.593 4.740 -0.001 0.000 0.190 17 N C 1.978 177.464 175.510 -0.041 0.000 1.024 17 N CA 1.363 54.355 53.050 -0.096 0.000 0.853 17 N CB -0.342 38.069 38.487 -0.126 0.000 1.008 17 N HN 0.463 nan 8.380 nan 0.000 0.424 18 R N 0.179 120.669 120.500 -0.017 0.000 2.081 18 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 18 R C 1.999 178.333 176.300 0.057 0.000 1.131 18 R CA 0.677 56.788 56.100 0.018 0.000 0.960 18 R CB -0.441 29.865 30.300 0.010 0.000 0.856 18 R HN 0.134 nan 8.270 nan 0.000 0.436 19 L N 0.719 121.976 121.223 0.056 0.000 2.141 19 L HA -0.105 4.234 4.340 -0.001 0.000 0.209 19 L C 2.061 179.046 176.870 0.192 0.000 1.094 19 L CA 1.342 56.255 54.840 0.121 0.000 0.763 19 L CB -0.188 41.906 42.059 0.058 0.000 0.908 19 L HN -0.108 nan 8.230 nan 0.000 0.437 20 V N 0.145 120.123 119.914 0.106 0.000 2.287 20 V HA -0.329 3.791 4.120 -0.001 0.000 0.248 20 V C 2.513 178.734 176.094 0.211 0.000 1.053 20 V CA 2.068 64.458 62.300 0.150 0.000 1.027 20 V CB -0.908 30.959 31.823 0.074 0.000 0.646 20 V HN 0.632 nan 8.190 nan 0.000 0.447 21 N N 0.203 118.997 118.700 0.157 0.000 2.104 21 N HA -0.170 4.569 4.740 -0.001 0.000 0.190 21 N C 1.899 177.504 175.510 0.159 0.000 1.024 21 N CA 1.682 54.826 53.050 0.156 0.000 0.853 21 N CB -0.111 38.443 38.487 0.111 0.000 1.008 21 N HN 0.436 nan 8.380 nan 0.000 0.424 22 L N -0.240 121.078 121.223 0.159 0.000 2.042 22 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 22 L C 2.267 179.202 176.870 0.109 0.000 1.076 22 L CA 1.258 56.170 54.840 0.121 0.000 0.749 22 L CB -0.687 41.439 42.059 0.113 0.000 0.893 22 L HN 0.196 nan 8.230 nan 0.000 0.432 23 Y N 0.018 120.385 120.300 0.111 0.000 2.181 23 Y HA -0.223 4.326 4.550 -0.002 0.000 0.288 23 Y C 2.434 178.416 175.900 0.137 0.000 1.146 23 Y CA 1.328 59.512 58.100 0.140 0.000 1.164 23 Y CB -0.336 38.226 38.460 0.171 0.000 0.982 23 Y HN 0.049 nan 8.280 nan 0.000 0.515 24 L N -0.808 120.577 121.223 0.269 0.000 2.056 24 L HA -0.229 4.110 4.340 -0.001 0.000 0.207 24 L C 2.470 179.437 176.870 0.162 0.000 1.078 24 L CA 1.300 56.254 54.840 0.190 0.000 0.749 24 L CB -0.510 41.648 42.059 0.165 0.000 0.901 24 L HN 0.113 nan 8.230 nan 0.000 0.433 25 R N 0.014 120.604 120.500 0.151 0.000 2.091 25 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 25 R C 2.468 178.823 176.300 0.090 0.000 1.136 25 R CA 1.455 57.644 56.100 0.149 0.000 0.959 25 R CB -0.520 29.839 30.300 0.098 0.000 0.856 25 R HN 0.369 nan 8.270 nan 0.000 0.437 26 A N 0.196 123.024 122.820 0.013 0.000 1.902 26 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 26 A C 2.180 179.764 177.584 -0.000 0.000 1.181 26 A CA 1.910 53.887 52.037 -0.100 0.000 0.623 26 A CB -0.735 18.183 19.000 -0.137 0.000 0.818 26 A HN 0.332 nan 8.150 nan 0.000 0.443 27 S N -1.985 113.808 115.700 0.155 0.000 2.370 27 S HA -0.202 4.267 4.470 -0.001 0.000 0.226 27 S C 1.950 176.700 174.600 0.250 0.000 1.033 27 S CA 1.686 60.025 58.200 0.232 0.000 1.011 27 S CB -0.527 62.791 63.200 0.198 0.000 0.852 27 S HN 0.606 nan 8.310 nan 0.000 0.457 28 Y N 2.431 122.768 120.300 0.062 0.000 2.181 28 Y HA -0.045 4.504 4.550 -0.001 0.000 0.288 28 Y C 2.657 178.575 175.900 0.030 0.000 1.146 28 Y CA 1.756 59.892 58.100 0.061 0.000 1.164 28 Y CB -1.228 37.265 38.460 0.055 0.000 0.982 28 Y HN 0.277 nan 8.280 nan 0.000 0.515 29 T N -0.183 114.379 114.554 0.013 0.000 2.720 29 T HA -0.221 4.128 4.350 -0.001 0.000 0.268 29 T C 1.605 176.110 174.700 -0.325 0.000 1.037 29 T CA 1.886 63.856 62.100 -0.218 0.000 1.144 29 T CB -0.566 68.083 68.868 -0.366 0.000 0.864 29 T HN 0.299 nan 8.240 nan 0.000 0.444 30 Y N 0.686 120.916 120.300 -0.116 0.000 2.293 30 Y HA 0.103 4.652 4.550 -0.001 0.000 0.291 30 Y C 2.083 177.971 175.900 -0.019 0.000 1.137 30 Y CA -0.308 57.707 58.100 -0.141 0.000 1.202 30 Y CB -0.814 37.620 38.460 -0.043 0.000 0.990 30 Y HN 0.105 nan 8.280 nan 0.000 0.537 31 L N -0.864 120.506 121.223 0.245 0.000 2.012 31 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 31 L C 2.625 179.702 176.870 0.344 0.000 1.073 31 L CA 2.174 57.211 54.840 0.328 0.000 0.748 31 L CB -1.068 41.224 42.059 0.388 0.000 0.891 31 L HN 0.173 nan 8.230 nan 0.000 0.431 32 S N -1.129 114.701 115.700 0.217 0.000 2.368 32 S HA -0.151 4.318 4.470 -0.001 0.000 0.224 32 S C 2.066 176.783 174.600 0.195 0.000 1.029 32 S CA 1.469 59.826 58.200 0.262 0.000 0.988 32 S CB -0.413 62.949 63.200 0.270 0.000 0.838 32 S HN 0.449 nan 8.310 nan 0.000 0.462 33 L N 0.922 121.983 121.223 -0.270 0.000 2.012 33 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 33 L C 2.817 179.808 176.870 0.203 0.000 1.073 33 L CA 1.465 56.007 54.840 -0.498 0.000 0.748 33 L CB -1.055 40.332 42.059 -1.120 0.000 0.891 33 L HN 0.497 nan 8.230 nan 0.000 0.431 34 G N -0.733 108.204 108.800 0.228 0.000 2.459 34 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.217 34 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.217 34 G C 1.347 176.320 174.900 0.122 0.000 1.183 34 G CA 0.685 45.919 45.100 0.223 0.000 0.776 34 G HN 0.229 nan 8.290 nan 0.000 0.552 35 F N -0.679 119.426 119.950 0.257 0.000 2.407 35 F HA 0.111 4.637 4.527 -0.001 0.000 0.299 35 F C 2.220 178.155 175.800 0.225 0.000 1.097 35 F CA 0.390 58.520 58.000 0.216 0.000 1.422 35 F CB -0.348 38.757 39.000 0.176 0.000 1.067 35 F HN 0.237 nan 8.300 nan 0.000 0.539 36 Y N -0.319 120.151 120.300 0.283 0.000 2.145 36 Y HA -0.258 4.291 4.550 -0.001 0.000 0.286 36 Y C 1.890 177.787 175.900 -0.005 0.000 1.145 36 Y CA 1.553 59.732 58.100 0.132 0.000 1.148 36 Y CB -0.902 37.660 38.460 0.169 0.000 0.981 36 Y HN -0.002 nan 8.280 nan 0.000 0.507 37 F N 0.251 120.297 119.950 0.161 0.000 2.546 37 F HA -0.067 4.460 4.527 -0.001 0.000 0.298 37 F C 1.925 177.730 175.800 0.008 0.000 1.120 37 F CA 1.553 59.585 58.000 0.053 0.000 1.456 37 F CB -0.410 38.718 39.000 0.213 0.000 1.088 37 F HN 0.150 nan 8.300 nan 0.000 0.572 38 D N -0.169 120.316 120.400 0.142 0.000 2.347 38 D HA -0.020 4.619 4.640 -0.001 0.000 0.213 38 D C 0.729 177.074 176.300 0.074 0.000 0.985 38 D CA 0.122 54.183 54.000 0.101 0.000 0.879 38 D CB 0.142 41.002 40.800 0.100 0.000 0.919 38 D HN 0.036 nan 8.370 nan 0.000 0.526 39 R N 0.958 121.460 120.500 0.004 0.000 2.623 39 R HA 0.012 4.351 4.340 -0.001 0.000 0.271 39 R C 1.431 177.717 176.300 -0.024 0.000 1.043 39 R CA 0.580 56.666 56.100 -0.023 0.000 1.083 39 R CB 0.467 30.694 30.300 -0.123 0.000 0.974 39 R HN 0.320 nan 8.270 nan 0.000 0.436 40 D N 2.044 122.445 120.400 0.002 0.000 2.218 40 D HA -0.184 4.455 4.640 -0.001 0.000 0.204 40 D C 0.348 176.643 176.300 -0.009 0.000 0.976 40 D CA 1.153 55.158 54.000 0.007 0.000 0.853 40 D CB 0.005 40.815 40.800 0.016 0.000 0.939 40 D HN 0.612 nan 8.370 nan 0.000 0.481 41 D N 0.273 120.652 120.400 -0.034 0.000 2.325 41 D HA 0.018 4.657 4.640 -0.001 0.000 0.225 41 D C 1.452 177.707 176.300 -0.075 0.000 1.096 41 D CA -0.205 53.772 54.000 -0.039 0.000 0.844 41 D CB 0.668 41.450 40.800 -0.030 0.000 0.925 41 D HN 0.263 nan 8.370 nan 0.000 0.513 42 V N -0.155 119.693 119.914 -0.109 0.000 3.278 42 V HA 0.427 4.546 4.120 -0.001 0.000 0.215 42 V C 0.892 176.992 176.094 0.010 0.000 1.287 42 V CA 0.217 62.432 62.300 -0.140 0.000 1.302 42 V CB -0.559 30.976 31.823 -0.481 0.000 1.228 42 V HN 0.307 nan 8.190 nan 0.000 0.523 43 A N 1.004 123.841 122.820 0.028 0.000 2.578 43 A HA -0.183 4.136 4.320 -0.001 0.000 0.298 43 A C -0.224 177.441 177.584 0.135 0.000 1.472 43 A CA 0.804 52.887 52.037 0.078 0.000 0.734 43 A CB -2.045 16.990 19.000 0.059 0.000 1.091 43 A HN 0.490 nan 8.150 nan 0.000 0.426 44 L N 0.113 121.452 121.223 0.194 0.000 2.408 44 L HA 0.322 4.661 4.340 -0.001 0.000 0.257 44 L C 1.289 178.231 176.870 0.120 0.000 1.053 44 L CA 0.059 55.007 54.840 0.179 0.000 0.922 44 L CB 1.185 43.404 42.059 0.267 0.000 1.261 44 L HN 0.699 nan 8.230 nan 0.000 0.458 45 E N 2.263 122.499 120.200 0.061 0.000 2.077 45 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 45 E C 1.933 178.538 176.600 0.008 0.000 0.989 45 E CA 1.688 58.109 56.400 0.035 0.000 0.800 45 E CB 0.200 29.904 29.700 0.005 0.000 0.746 45 E HN 0.803 nan 8.360 nan 0.000 0.452 46 G N 0.211 108.976 108.800 -0.057 0.000 2.422 46 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 46 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 46 G C 1.606 176.446 174.900 -0.099 0.000 1.146 46 G CA 1.013 46.053 45.100 -0.101 0.000 0.769 46 G HN 0.242 nan 8.290 nan 0.000 0.547 47 V N 0.368 120.196 119.914 -0.145 0.000 2.307 47 V HA -0.195 3.924 4.120 -0.001 0.000 0.245 47 V C 2.953 179.002 176.094 -0.075 0.000 1.045 47 V CA 1.510 63.640 62.300 -0.284 0.000 1.024 47 V CB -0.930 30.539 31.823 -0.590 0.000 0.651 47 V HN 0.588 nan 8.190 nan 0.000 0.449 48 C N 0.408 119.771 119.300 0.105 0.000 2.393 48 C HA -0.297 4.162 4.460 -0.001 0.000 0.276 48 C C 2.864 177.901 174.990 0.079 0.000 1.215 48 C CA 2.099 61.217 59.018 0.166 0.000 1.743 48 C CB -1.105 26.702 27.740 0.111 0.000 2.044 48 C HN 0.805 nan 8.230 nan 0.000 0.464 49 H N -1.214 117.836 119.070 -0.034 0.000 2.353 49 H HA -0.139 4.417 4.556 -0.001 0.000 0.300 49 H C 1.952 177.240 175.328 -0.068 0.000 1.090 49 H CA 2.371 58.386 56.048 -0.055 0.000 1.327 49 H CB -0.727 29.000 29.762 -0.059 0.000 1.383 49 H HN 0.552 nan 8.280 nan 0.000 0.508 50 F N 0.097 119.890 119.950 -0.261 0.000 2.063 50 F HA -0.266 4.260 4.527 -0.002 0.000 0.298 50 F C 1.577 177.113 175.800 -0.440 0.000 1.109 50 F CA 1.760 59.505 58.000 -0.425 0.000 1.212 50 F CB -0.625 38.024 39.000 -0.586 0.000 0.973 50 F HN 0.179 nan 8.300 nan 0.000 0.480 51 F N 0.319 120.157 119.950 -0.186 0.000 2.234 51 F HA 0.035 4.562 4.527 -0.001 0.000 0.296 51 F C 2.506 178.151 175.800 -0.258 0.000 1.089 51 F CA 1.091 58.934 58.000 -0.261 0.000 1.343 51 F CB -1.023 37.986 39.000 0.015 0.000 1.040 51 F HN -0.165 nan 8.300 nan 0.000 0.498 52 R N 0.238 120.709 120.500 -0.048 0.000 2.096 52 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 52 R C 2.010 178.199 176.300 -0.185 0.000 1.127 52 R CA 1.240 57.285 56.100 -0.092 0.000 0.968 52 R CB -0.393 29.829 30.300 -0.129 0.000 0.861 52 R HN 0.234 nan 8.270 nan 0.000 0.440 53 E N 0.974 120.960 120.200 -0.356 0.000 2.077 53 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 53 E C 2.138 178.536 176.600 -0.336 0.000 0.989 53 E CA 0.942 57.120 56.400 -0.370 0.000 0.800 53 E CB -0.178 29.221 29.700 -0.502 0.000 0.746 53 E HN 0.353 nan 8.360 nan 0.000 0.452 54 L N 0.491 121.421 121.223 -0.488 0.000 2.131 54 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 54 L C 2.510 179.208 176.870 -0.287 0.000 1.092 54 L CA 0.978 55.470 54.840 -0.581 0.000 0.759 54 L CB -0.479 40.872 42.059 -1.180 0.000 0.903 54 L HN 0.063 nan 8.230 nan 0.000 0.435 55 A N 0.154 122.918 122.820 -0.092 0.000 1.883 55 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 55 A C 2.148 179.775 177.584 0.072 0.000 1.186 55 A CA 1.818 53.930 52.037 0.124 0.000 0.624 55 A CB -0.424 18.671 19.000 0.160 0.000 0.822 55 A HN 0.469 nan 8.150 nan 0.000 0.444 56 E N -0.441 119.760 120.200 0.001 0.000 2.072 56 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 56 E C 2.015 178.619 176.600 0.006 0.000 0.985 56 E CA 1.068 57.470 56.400 0.004 0.000 0.801 56 E CB -0.145 29.538 29.700 -0.029 0.000 0.750 56 E HN 0.507 nan 8.360 nan 0.000 0.452 57 E N 1.017 121.196 120.200 -0.035 0.000 2.085 57 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 57 E C 1.920 178.571 176.600 0.086 0.000 0.994 57 E CA 0.963 57.352 56.400 -0.018 0.000 0.801 57 E CB -0.045 29.606 29.700 -0.081 0.000 0.743 57 E HN 0.113 nan 8.360 nan 0.000 0.453 58 K N 0.286 120.770 120.400 0.141 0.000 2.097 58 K HA -0.057 4.262 4.320 -0.001 0.000 0.205 58 K C 2.078 178.864 176.600 0.309 0.000 1.050 58 K CA 0.630 57.100 56.287 0.304 0.000 0.938 58 K CB -0.423 32.237 32.500 0.266 0.000 0.718 58 K HN 0.123 nan 8.250 nan 0.000 0.442 59 M N 1.955 121.669 119.600 0.190 0.000 2.117 59 M HA -0.130 4.349 4.480 -0.001 0.000 0.262 59 M C 1.580 177.956 176.300 0.126 0.000 1.065 59 M CA 1.697 57.089 55.300 0.153 0.000 1.114 59 M CB -0.258 32.403 32.600 0.101 0.000 1.361 59 M HN 0.123 nan 8.290 nan 0.000 0.408 60 E N -0.711 119.542 120.200 0.087 0.000 2.085 60 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 60 E C 1.971 178.598 176.600 0.045 0.000 0.994 60 E CA 1.187 57.612 56.400 0.041 0.000 0.801 60 E CB -0.632 29.066 29.700 -0.004 0.000 0.743 60 E HN 0.743 nan 8.360 nan 0.000 0.453 61 G N 1.125 109.981 108.800 0.094 0.000 2.421 61 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 61 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 61 G C 1.707 176.649 174.900 0.071 0.000 1.171 61 G CA 0.852 45.990 45.100 0.063 0.000 0.775 61 G HN 0.355 nan 8.290 nan 0.000 0.543 62 A N 1.002 123.900 122.820 0.131 0.000 1.908 62 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 62 A C 2.167 179.830 177.584 0.133 0.000 1.181 62 A CA 2.054 54.175 52.037 0.141 0.000 0.627 62 A CB -0.462 18.672 19.000 0.224 0.000 0.818 62 A HN 0.474 nan 8.150 nan 0.000 0.445 63 E N -0.994 119.278 120.200 0.121 0.000 2.077 63 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 63 E C 2.315 178.976 176.600 0.101 0.000 0.989 63 E CA 1.155 57.616 56.400 0.102 0.000 0.800 63 E CB -0.163 29.579 29.700 0.071 0.000 0.746 63 E HN 0.595 nan 8.360 nan 0.000 0.452 64 R N 0.734 121.304 120.500 0.117 0.000 2.081 64 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 64 R C 2.324 178.809 176.300 0.308 0.000 1.131 64 R CA 0.945 57.153 56.100 0.180 0.000 0.960 64 R CB -0.136 30.233 30.300 0.116 0.000 0.856 64 R HN 0.137 nan 8.270 nan 0.000 0.436 65 L N 0.381 121.771 121.223 0.277 0.000 2.017 65 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 65 L C 2.370 179.249 176.870 0.016 0.000 1.073 65 L CA 1.239 56.154 54.840 0.125 0.000 0.745 65 L CB -0.364 41.694 42.059 -0.001 0.000 0.894 65 L HN 0.252 nan 8.230 nan 0.000 0.432 66 L N -0.274 120.979 121.223 0.050 0.000 2.046 66 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 66 L C 2.717 179.590 176.870 0.005 0.000 1.077 66 L CA 1.403 56.262 54.840 0.032 0.000 0.747 66 L CB -0.509 41.618 42.059 0.113 0.000 0.896 66 L HN 0.252 nan 8.230 nan 0.000 0.432 67 K N -0.022 120.393 120.400 0.025 0.000 2.032 67 K HA -0.260 4.059 4.320 -0.001 0.000 0.209 67 K C 2.293 178.858 176.600 -0.058 0.000 1.048 67 K CA 1.617 57.906 56.287 0.004 0.000 0.927 67 K CB -0.133 32.388 32.500 0.035 0.000 0.712 67 K HN 0.145 nan 8.250 nan 0.000 0.441 68 M N 1.233 120.770 119.600 -0.105 0.000 2.117 68 M HA -0.214 4.265 4.480 -0.001 0.000 0.262 68 M C 2.153 178.274 176.300 -0.299 0.000 1.065 68 M CA 1.869 56.998 55.300 -0.285 0.000 1.114 68 M CB -0.543 31.604 32.600 -0.755 0.000 1.361 68 M HN 0.243 nan 8.290 nan 0.000 0.408 69 Q N 1.106 120.779 119.800 -0.212 0.000 2.062 69 Q HA -0.219 4.120 4.340 -0.001 0.000 0.209 69 Q C 1.572 177.457 176.000 -0.192 0.000 0.996 69 Q CA 2.661 58.368 55.803 -0.160 0.000 0.859 69 Q CB -0.374 28.318 28.738 -0.077 0.000 0.920 69 Q HN 0.551 nan 8.270 nan 0.000 0.415 70 N N -0.331 118.289 118.700 -0.134 0.000 2.188 70 N HA -0.119 4.620 4.740 -0.001 0.000 0.184 70 N C 1.618 177.033 175.510 -0.158 0.000 1.018 70 N CA 1.218 54.198 53.050 -0.115 0.000 0.858 70 N CB -0.167 38.283 38.487 -0.060 0.000 0.989 70 N HN 0.434 nan 8.380 nan 0.000 0.426 71 Q N 0.031 119.722 119.800 -0.182 0.000 2.181 71 Q HA -0.003 4.337 4.340 -0.001 0.000 0.205 71 Q C 1.357 177.176 176.000 -0.303 0.000 0.980 71 Q CA 0.942 56.626 55.803 -0.199 0.000 0.862 71 Q CB 0.123 28.755 28.738 -0.176 0.000 0.905 71 Q HN 0.200 nan 8.270 nan 0.000 0.429 72 R N -1.078 119.147 120.500 -0.459 0.000 2.276 72 R HA 0.062 4.401 4.340 -0.001 0.000 0.196 72 R C 1.175 177.180 176.300 -0.490 0.000 0.961 72 R CA 0.861 56.550 56.100 -0.685 0.000 1.024 72 R CB 0.407 29.848 30.300 -1.430 0.000 0.940 72 R HN 0.439 nan 8.270 nan 0.000 0.480 73 G N 0.034 108.655 108.800 -0.299 0.000 2.141 73 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.231 73 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.231 73 G C 0.494 175.366 174.900 -0.047 0.000 0.984 73 G CA 0.065 45.082 45.100 -0.139 0.000 0.660 73 G HN 0.601 nan 8.290 nan 0.000 0.525 74 G N -0.988 107.791 108.800 -0.034 0.000 2.580 74 G HA2 0.567 4.526 3.960 -0.001 0.000 0.278 74 G HA3 0.567 4.526 3.960 -0.001 0.000 0.278 74 G C -0.126 174.786 174.900 0.020 0.000 1.212 74 G CA -0.425 44.747 45.100 0.120 0.000 0.939 74 G HN 0.391 nan 8.290 nan 0.000 0.513 75 R N 0.214 120.721 120.500 0.012 0.000 2.360 75 R HA 0.501 4.840 4.340 -0.001 0.000 0.318 75 R C -0.029 176.222 176.300 -0.081 0.000 0.950 75 R CA -0.588 55.494 56.100 -0.029 0.000 0.837 75 R CB 0.917 31.204 30.300 -0.022 0.000 1.165 75 R HN 0.617 nan 8.270 nan 0.000 0.458 76 A N 6.050 128.795 122.820 -0.124 0.000 2.524 76 A HA 0.307 4.626 4.320 -0.001 0.000 0.250 76 A C -0.289 177.073 177.584 -0.370 0.000 1.078 76 A CA 0.179 52.035 52.037 -0.301 0.000 0.761 76 A CB 0.119 18.938 19.000 -0.303 0.000 1.012 76 A HN 0.678 nan 8.150 nan 0.000 0.500 77 L N 2.635 123.574 121.223 -0.473 0.000 2.409 77 L HA 0.522 4.861 4.340 -0.001 0.000 0.272 77 L C -1.200 175.394 176.870 -0.461 0.000 0.980 77 L CA -0.385 54.260 54.840 -0.326 0.000 0.826 77 L CB 1.795 43.772 42.059 -0.137 0.000 1.268 77 L HN 0.672 nan 8.230 nan 0.000 0.407 78 F N 1.546 121.505 119.950 0.015 0.000 2.422 78 F HA 0.527 5.053 4.527 -0.002 0.000 0.333 78 F C 0.431 176.241 175.800 0.017 0.000 1.095 78 F CA -0.542 57.469 58.000 0.018 0.000 1.038 78 F CB 1.433 40.442 39.000 0.015 0.000 1.156 78 F HN 0.359 nan 8.300 nan 0.000 0.483 79 Q N 0.954 120.877 119.800 0.205 0.000 2.359 79 Q HA 0.292 4.631 4.340 -0.001 0.000 0.275 79 Q C -1.010 175.061 176.000 0.118 0.000 1.082 79 Q CA -1.005 54.872 55.803 0.124 0.000 0.849 79 Q CB 1.609 30.395 28.738 0.080 0.000 1.377 79 Q HN 0.517 nan 8.270 nan 0.000 0.452 80 D N 1.008 121.458 120.400 0.083 0.000 2.478 80 D HA 0.031 4.670 4.640 -0.001 0.000 0.234 80 D C -0.370 175.980 176.300 0.083 0.000 1.154 80 D CA 0.215 54.258 54.000 0.071 0.000 0.874 80 D CB 0.522 41.357 40.800 0.058 0.000 1.198 80 D HN 0.124 nan 8.370 nan 0.000 0.455 81 L N 2.434 123.707 121.223 0.083 0.000 2.294 81 L HA 0.139 4.478 4.340 -0.001 0.000 0.283 81 L C 0.076 177.043 176.870 0.162 0.000 1.015 81 L CA -0.521 54.386 54.840 0.111 0.000 0.831 81 L CB 0.953 43.051 42.059 0.065 0.000 1.217 81 L HN 0.277 nan 8.230 nan 0.000 0.420 82 Q N 3.896 123.783 119.800 0.145 0.000 2.364 82 Q HA 0.170 4.509 4.340 -0.001 0.000 0.267 82 Q C -0.418 175.685 176.000 0.171 0.000 0.999 82 Q CA -0.365 55.515 55.803 0.127 0.000 0.886 82 Q CB 0.600 29.384 28.738 0.076 0.000 1.243 82 Q HN 0.616 nan 8.270 nan 0.000 0.415 83 K N 1.826 122.287 120.400 0.101 0.000 2.276 83 K HA 0.311 4.630 4.320 -0.001 0.000 0.259 83 K C -2.333 174.198 176.600 -0.115 0.000 1.001 83 K CA -1.336 54.916 56.287 -0.058 0.000 0.927 83 K CB -0.347 32.111 32.500 -0.071 0.000 0.969 83 K HN 0.333 nan 8.250 nan 0.000 0.490 84 P HA -0.072 nan 4.420 nan 0.000 0.269 84 P C 0.283 177.558 177.300 -0.042 0.000 1.217 84 P CA -0.230 62.838 63.100 -0.053 0.000 0.783 84 P CB 0.699 32.437 31.700 0.064 0.000 0.898 85 S N -0.489 115.222 115.700 0.018 0.000 2.481 85 S HA -0.064 4.405 4.470 -0.001 0.000 0.231 85 S C 0.460 174.891 174.600 -0.282 0.000 0.996 85 S CA 0.583 58.732 58.200 -0.085 0.000 0.942 85 S CB -0.408 62.784 63.200 -0.014 0.000 0.768 85 S HN 0.531 nan 8.310 nan 0.000 0.520 86 Q N -0.352 119.095 119.800 -0.588 0.000 2.423 86 Q HA 0.420 4.759 4.340 -0.001 0.000 0.278 86 Q C -0.810 174.667 176.000 -0.872 0.000 1.097 86 Q CA -0.786 54.457 55.803 -0.934 0.000 0.809 86 Q CB 1.847 29.616 28.738 -1.615 0.000 1.391 86 Q HN 0.018 nan 8.270 nan 0.000 0.428 87 D N 0.566 120.581 120.400 -0.641 0.000 2.301 87 D HA 0.048 4.688 4.640 -0.001 0.000 0.206 87 D C -0.433 175.568 176.300 -0.498 0.000 0.979 87 D CA 0.992 54.738 54.000 -0.424 0.000 0.874 87 D CB 0.766 41.424 40.800 -0.237 0.000 0.968 87 D HN 0.404 nan 8.370 nan 0.000 0.510 88 E N -0.944 118.812 120.200 -0.741 0.000 2.293 88 E HA 0.256 4.606 4.350 -0.001 0.000 0.270 88 E C -0.534 175.401 176.600 -1.108 0.000 0.879 88 E CA -0.591 55.342 56.400 -0.778 0.000 0.756 88 E CB 1.824 31.331 29.700 -0.321 0.000 1.208 88 E HN 0.016 nan 8.360 nan 0.000 0.428 89 W N 1.713 122.233 121.300 -1.300 0.000 2.991 89 W HA 0.332 4.991 4.660 -0.001 0.000 0.391 89 W C 1.014 177.311 176.519 -0.369 0.000 1.054 89 W CA 0.286 57.191 57.345 -0.732 0.000 1.856 89 W CB 0.948 30.033 29.460 -0.625 0.000 1.132 89 W HN 0.964 nan 8.180 nan 0.000 0.601 90 G N 1.087 109.809 108.800 -0.130 0.000 2.512 90 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.254 90 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.254 90 G C 0.321 175.395 174.900 0.289 0.000 1.199 90 G CA 0.156 45.326 45.100 0.116 0.000 0.941 90 G HN 0.256 nan 8.290 nan 0.000 0.569 91 T N -2.890 111.831 114.554 0.279 0.000 2.881 91 T HA 0.596 4.945 4.350 -0.001 0.000 0.278 91 T C 1.643 176.619 174.700 0.459 0.000 0.982 91 T CA 0.930 63.231 62.100 0.335 0.000 0.989 91 T CB 1.154 70.141 68.868 0.199 0.000 1.058 91 T HN 1.065 nan 8.240 nan 0.000 0.529 92 T N 2.485 117.298 114.554 0.431 0.000 2.624 92 T HA -0.067 4.282 4.350 -0.001 0.000 0.268 92 T C -0.650 174.149 174.700 0.164 0.000 1.041 92 T CA 1.883 64.149 62.100 0.277 0.000 1.159 92 T CB -1.413 67.513 68.868 0.098 0.000 0.863 92 T HN 0.662 nan 8.240 nan 0.000 0.434 93 P HA -0.070 nan 4.420 nan 0.000 0.217 93 P C 0.920 178.290 177.300 0.116 0.000 1.150 93 P CA 1.194 64.321 63.100 0.045 0.000 0.832 93 P CB -0.101 31.606 31.700 0.012 0.000 0.787 94 D N 0.293 120.791 120.400 0.164 0.000 2.104 94 D HA -0.137 4.502 4.640 -0.001 0.000 0.194 94 D C 2.150 178.589 176.300 0.231 0.000 0.994 94 D CA 1.771 55.877 54.000 0.177 0.000 0.830 94 D CB -0.777 40.132 40.800 0.182 0.000 0.959 94 D HN 0.114 nan 8.370 nan 0.000 0.452 95 A N 0.711 123.728 122.820 0.328 0.000 1.877 95 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 95 A C 2.178 179.946 177.584 0.306 0.000 1.186 95 A CA 1.704 53.942 52.037 0.335 0.000 0.620 95 A CB -0.541 18.808 19.000 0.581 0.000 0.822 95 A HN 0.128 nan 8.150 nan 0.000 0.443 96 M N -0.097 119.693 119.600 0.318 0.000 2.159 96 M HA -0.105 4.375 4.480 -0.001 0.000 0.263 96 M C 1.826 178.246 176.300 0.200 0.000 1.063 96 M CA 1.698 57.167 55.300 0.281 0.000 1.110 96 M CB -0.406 32.274 32.600 0.133 0.000 1.374 96 M HN 0.396 nan 8.290 nan 0.000 0.411 97 K N -0.795 119.694 120.400 0.148 0.000 2.026 97 K HA -0.065 4.254 4.320 -0.001 0.000 0.208 97 K C 2.003 178.671 176.600 0.114 0.000 1.048 97 K CA 1.420 57.774 56.287 0.111 0.000 0.929 97 K CB -0.457 32.096 32.500 0.089 0.000 0.713 97 K HN 0.409 nan 8.250 nan 0.000 0.439 98 A N 1.575 124.471 122.820 0.127 0.000 1.908 98 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 98 A C 2.371 179.987 177.584 0.054 0.000 1.181 98 A CA 2.081 54.178 52.037 0.100 0.000 0.627 98 A CB -0.805 18.288 19.000 0.154 0.000 0.818 98 A HN 0.367 nan 8.150 nan 0.000 0.445 99 A N -0.262 122.624 122.820 0.109 0.000 1.902 99 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 99 A C 2.130 179.825 177.584 0.185 0.000 1.181 99 A CA 1.535 53.695 52.037 0.204 0.000 0.623 99 A CB -0.587 18.735 19.000 0.537 0.000 0.818 99 A HN 0.504 nan 8.150 nan 0.000 0.443 100 I N -0.463 120.204 120.570 0.162 0.000 2.226 100 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 100 I C 2.352 178.516 176.117 0.078 0.000 1.100 100 I CA 1.067 62.438 61.300 0.118 0.000 1.374 100 I CB -0.295 37.763 38.000 0.096 0.000 1.057 100 I HN 0.156 nan 8.210 nan 0.000 0.413 101 V N 0.764 120.717 119.914 0.065 0.000 2.287 101 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 101 V C 2.398 178.506 176.094 0.024 0.000 1.053 101 V CA 1.917 64.242 62.300 0.042 0.000 1.027 101 V CB -0.643 31.204 31.823 0.040 0.000 0.646 101 V HN 0.384 nan 8.190 nan 0.000 0.447 102 L N 0.171 121.398 121.223 0.008 0.000 2.017 102 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 102 L C 2.487 179.352 176.870 -0.007 0.000 1.073 102 L CA 1.928 56.746 54.840 -0.036 0.000 0.745 102 L CB -0.935 41.043 42.059 -0.135 0.000 0.894 102 L HN 0.269 nan 8.230 nan 0.000 0.432 103 E N 0.256 120.485 120.200 0.049 0.000 2.077 103 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 103 E C 2.186 178.811 176.600 0.042 0.000 0.989 103 E CA 1.307 57.742 56.400 0.058 0.000 0.800 103 E CB -0.249 29.510 29.700 0.099 0.000 0.746 103 E HN 0.572 nan 8.360 nan 0.000 0.452 104 K N 0.844 121.270 120.400 0.043 0.000 2.097 104 K HA -0.106 4.213 4.320 -0.001 0.000 0.206 104 K C 2.371 178.989 176.600 0.030 0.000 1.049 104 K CA 1.489 57.799 56.287 0.037 0.000 0.933 104 K CB -0.179 32.343 32.500 0.035 0.000 0.717 104 K HN 0.109 nan 8.250 nan 0.000 0.442 105 S N 1.276 116.988 115.700 0.018 0.000 2.383 105 S HA -0.108 4.361 4.470 -0.001 0.000 0.227 105 S C 2.040 176.649 174.600 0.015 0.000 1.026 105 S CA 0.825 59.033 58.200 0.013 0.000 0.981 105 S CB -0.523 62.677 63.200 0.002 0.000 0.818 105 S HN 0.186 nan 8.310 nan 0.000 0.472 106 L N 1.503 122.723 121.223 -0.005 0.000 2.027 106 L HA -0.076 4.263 4.340 -0.001 0.000 0.206 106 L C 2.916 179.835 176.870 0.082 0.000 1.074 106 L CA 1.638 56.475 54.840 -0.005 0.000 0.745 106 L CB -0.900 41.080 42.059 -0.132 0.000 0.898 106 L HN 0.357 nan 8.230 nan 0.000 0.433 107 N N -0.007 118.739 118.700 0.076 0.000 2.104 107 N HA -0.255 4.484 4.740 -0.001 0.000 0.190 107 N C 1.873 177.429 175.510 0.075 0.000 1.024 107 N CA 1.357 54.461 53.050 0.091 0.000 0.853 107 N CB -0.039 38.490 38.487 0.070 0.000 1.008 107 N HN 0.165 nan 8.380 nan 0.000 0.424 108 Q N 0.072 119.906 119.800 0.057 0.000 2.119 108 Q HA 0.116 4.455 4.340 -0.001 0.000 0.201 108 Q C 1.826 177.861 176.000 0.058 0.000 0.972 108 Q CA 1.755 57.587 55.803 0.049 0.000 0.847 108 Q CB -0.643 28.117 28.738 0.037 0.000 0.903 108 Q HN 0.410 nan 8.270 nan 0.000 0.433 109 A N 0.075 122.935 122.820 0.067 0.000 1.902 109 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 109 A C 2.090 179.727 177.584 0.088 0.000 1.181 109 A CA 1.412 53.494 52.037 0.075 0.000 0.623 109 A CB -0.757 18.295 19.000 0.087 0.000 0.818 109 A HN 0.450 nan 8.150 nan 0.000 0.443 110 L N -0.727 120.563 121.223 0.112 0.000 2.017 110 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 110 L C 2.580 179.518 176.870 0.114 0.000 1.073 110 L CA 1.212 56.118 54.840 0.112 0.000 0.745 110 L CB -0.582 41.566 42.059 0.149 0.000 0.894 110 L HN 0.370 nan 8.230 nan 0.000 0.432 111 L N -0.596 120.683 121.223 0.094 0.000 2.046 111 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 111 L C 2.265 179.197 176.870 0.104 0.000 1.077 111 L CA 1.008 55.900 54.840 0.086 0.000 0.747 111 L CB -0.655 41.432 42.059 0.045 0.000 0.896 111 L HN 0.285 nan 8.230 nan 0.000 0.432 112 D N 0.048 120.495 120.400 0.078 0.000 2.117 112 D HA -0.183 4.456 4.640 -0.001 0.000 0.197 112 D C 2.069 178.408 176.300 0.064 0.000 0.987 112 D CA 1.061 55.098 54.000 0.063 0.000 0.829 112 D CB -0.176 40.651 40.800 0.044 0.000 0.961 112 D HN 0.128 nan 8.370 nan 0.000 0.460 113 L N 0.329 121.592 121.223 0.067 0.000 2.046 113 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 113 L C 2.204 179.110 176.870 0.060 0.000 1.077 113 L CA 1.853 56.721 54.840 0.046 0.000 0.747 113 L CB -0.800 41.280 42.059 0.035 0.000 0.896 113 L HN 0.085 nan 8.230 nan 0.000 0.432 114 H N -0.644 118.444 119.070 0.030 0.000 2.319 114 H HA -0.176 4.379 4.556 -0.001 0.000 0.297 114 H C 2.123 177.468 175.328 0.027 0.000 1.097 114 H CA 2.128 58.198 56.048 0.036 0.000 1.285 114 H CB -0.034 29.752 29.762 0.041 0.000 1.368 114 H HN 0.471 nan 8.280 nan 0.000 0.495 115 A N 0.359 123.285 122.820 0.176 0.000 1.902 115 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 115 A C 2.372 179.972 177.584 0.027 0.000 1.181 115 A CA 1.612 53.713 52.037 0.107 0.000 0.623 115 A CB -0.912 18.138 19.000 0.085 0.000 0.818 115 A HN 0.486 nan 8.150 nan 0.000 0.443 116 L N 0.166 121.394 121.223 0.009 0.000 2.017 116 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 116 L C 2.423 179.264 176.870 -0.049 0.000 1.073 116 L CA 2.486 57.313 54.840 -0.021 0.000 0.745 116 L CB -1.159 40.884 42.059 -0.027 0.000 0.894 116 L HN 0.301 nan 8.230 nan 0.000 0.432 117 G N -1.850 106.905 108.800 -0.076 0.000 2.442 117 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.219 117 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.219 117 G C 1.722 176.561 174.900 -0.101 0.000 1.141 117 G CA 0.995 46.035 45.100 -0.099 0.000 0.763 117 G HN 0.494 nan 8.290 nan 0.000 0.554 118 S N 0.668 116.296 115.700 -0.119 0.000 2.368 118 S HA 0.065 4.534 4.470 -0.001 0.000 0.224 118 S C 2.743 177.330 174.600 -0.023 0.000 1.029 118 S CA 1.541 59.704 58.200 -0.062 0.000 0.988 118 S CB -0.452 62.742 63.200 -0.009 0.000 0.838 118 S HN 0.550 nan 8.310 nan 0.000 0.462 119 A N 0.837 123.646 122.820 -0.018 0.000 1.940 119 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 119 A C 2.075 179.648 177.584 -0.019 0.000 1.176 119 A CA 1.346 53.376 52.037 -0.012 0.000 0.631 119 A CB -0.467 18.526 19.000 -0.011 0.000 0.814 119 A HN 0.578 nan 8.150 nan 0.000 0.446 120 Q N -1.454 118.328 119.800 -0.030 0.000 2.403 120 Q HA 0.350 4.689 4.340 -0.001 0.000 0.203 120 Q C 0.656 176.644 176.000 -0.020 0.000 0.932 120 Q CA 0.610 56.393 55.803 -0.032 0.000 0.945 120 Q CB -0.220 28.486 28.738 -0.053 0.000 1.045 120 Q HN 0.915 nan 8.270 nan 0.000 0.511 121 A N 2.346 125.157 122.820 -0.015 0.000 2.466 121 A HA -0.183 4.136 4.320 -0.001 0.000 0.295 121 A C -0.201 177.387 177.584 0.006 0.000 1.465 121 A CA 0.945 52.979 52.037 -0.004 0.000 0.744 121 A CB -1.603 17.398 19.000 0.002 0.000 1.098 121 A HN 0.246 nan 8.150 nan 0.000 0.402 122 D N 0.402 120.803 120.400 0.001 0.000 2.483 122 D HA 0.371 5.010 4.640 -0.001 0.000 0.281 122 D C -0.904 175.419 176.300 0.039 0.000 1.174 122 D CA -1.475 52.546 54.000 0.036 0.000 0.938 122 D CB 0.761 41.586 40.800 0.041 0.000 1.002 122 D HN 0.293 nan 8.370 nan 0.000 0.501 123 P HA -0.137 nan 4.420 nan 0.000 0.225 123 P C 1.388 178.737 177.300 0.081 0.000 1.156 123 P CA 0.629 63.757 63.100 0.045 0.000 0.787 123 P CB 0.297 32.026 31.700 0.049 0.000 0.802 124 H N 0.480 119.574 119.070 0.040 0.000 2.321 124 H HA -0.098 4.457 4.556 -0.001 0.000 0.300 124 H C 1.910 177.299 175.328 0.102 0.000 1.087 124 H CA 1.199 57.283 56.048 0.061 0.000 1.319 124 H CB -0.480 29.299 29.762 0.028 0.000 1.379 124 H HN -0.043 nan 8.280 nan 0.000 0.501 125 L N 0.768 122.102 121.223 0.184 0.000 2.012 125 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 125 L C 2.861 179.791 176.870 0.100 0.000 1.073 125 L CA 1.763 56.691 54.840 0.146 0.000 0.748 125 L CB -1.050 41.078 42.059 0.114 0.000 0.891 125 L HN 0.333 nan 8.230 nan 0.000 0.431 126 C N -0.281 119.008 119.300 -0.018 0.000 2.413 126 C HA -0.182 4.277 4.460 -0.001 0.000 0.276 126 C C 2.507 177.559 174.990 0.104 0.000 1.248 126 C CA 1.079 60.036 59.018 -0.101 0.000 1.742 126 C CB -1.213 26.364 27.740 -0.272 0.000 2.017 126 C HN 0.749 nan 8.230 nan 0.000 0.481 127 D N -0.302 120.130 120.400 0.054 0.000 2.097 127 D HA -0.193 4.446 4.640 -0.001 0.000 0.195 127 D C 1.899 178.218 176.300 0.032 0.000 0.989 127 D CA 1.180 55.194 54.000 0.023 0.000 0.827 127 D CB -0.319 40.458 40.800 -0.039 0.000 0.966 127 D HN 0.453 nan 8.370 nan 0.000 0.456 128 F N 0.828 120.708 119.950 -0.117 0.000 2.091 128 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 128 F C 1.861 177.780 175.800 0.197 0.000 1.103 128 F CA 1.464 59.475 58.000 0.018 0.000 1.228 128 F CB -0.308 38.680 39.000 -0.020 0.000 0.984 128 F HN 0.023 nan 8.300 nan 0.000 0.477 129 L N -0.057 121.293 121.223 0.212 0.000 2.046 129 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 129 L C 2.432 179.387 176.870 0.142 0.000 1.077 129 L CA 1.762 56.710 54.840 0.180 0.000 0.747 129 L CB -0.823 41.384 42.059 0.247 0.000 0.896 129 L HN 0.191 nan 8.230 nan 0.000 0.432 130 E N -0.326 119.940 120.200 0.111 0.000 2.072 130 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 130 E C 2.338 178.909 176.600 -0.048 0.000 0.985 130 E CA 1.404 57.831 56.400 0.045 0.000 0.801 130 E CB -0.011 29.724 29.700 0.058 0.000 0.750 130 E HN 0.343 nan 8.360 nan 0.000 0.452 131 S N -0.063 115.552 115.700 -0.143 0.000 2.368 131 S HA -0.107 4.363 4.470 -0.001 0.000 0.224 131 S C 1.540 175.855 174.600 -0.475 0.000 1.029 131 S CA 0.940 58.932 58.200 -0.348 0.000 0.988 131 S CB -0.096 62.776 63.200 -0.547 0.000 0.838 131 S HN 0.348 nan 8.310 nan 0.000 0.462 132 H N -1.967 116.972 119.070 -0.218 0.000 2.874 132 H HA 0.353 4.908 4.556 -0.002 0.000 0.264 132 H C 0.560 175.547 175.328 -0.569 0.000 1.007 132 H CA 0.203 56.007 56.048 -0.407 0.000 1.207 132 H CB 0.403 29.786 29.762 -0.631 0.000 1.487 132 H HN 0.383 nan 8.280 nan 0.000 0.505 133 F N -0.659 119.248 119.950 -0.071 0.000 2.421 133 F HA 0.134 4.661 4.527 -0.001 0.000 0.270 133 F C 2.137 177.950 175.800 0.022 0.000 0.894 133 F CA -0.027 57.968 58.000 -0.008 0.000 1.128 133 F CB -0.009 38.985 39.000 -0.010 0.000 1.011 133 F HN -0.134 nan 8.300 nan 0.000 0.788 134 L N 0.213 121.547 121.223 0.185 0.000 2.017 134 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 134 L C 1.892 178.791 176.870 0.048 0.000 1.073 134 L CA 1.970 56.872 54.840 0.103 0.000 0.745 134 L CB -0.498 41.590 42.059 0.049 0.000 0.894 134 L HN 0.147 nan 8.230 nan 0.000 0.432 135 D N -0.143 120.264 120.400 0.011 0.000 2.183 135 D HA -0.156 4.483 4.640 -0.001 0.000 0.203 135 D C 2.072 178.367 176.300 -0.009 0.000 0.969 135 D CA 0.836 54.831 54.000 -0.010 0.000 0.842 135 D CB 0.180 40.961 40.800 -0.032 0.000 0.957 135 D HN 0.241 nan 8.370 nan 0.000 0.484 136 E N 0.077 120.267 120.200 -0.016 0.000 2.085 136 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 136 E C 1.933 178.544 176.600 0.017 0.000 0.994 136 E CA 0.902 57.290 56.400 -0.020 0.000 0.801 136 E CB 0.020 29.682 29.700 -0.062 0.000 0.743 136 E HN 0.352 nan 8.360 nan 0.000 0.453 137 E N 0.391 120.626 120.200 0.060 0.000 2.047 137 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 137 E C 2.362 178.987 176.600 0.043 0.000 0.987 137 E CA 0.537 56.981 56.400 0.074 0.000 0.799 137 E CB -0.307 29.463 29.700 0.116 0.000 0.752 137 E HN 0.098 nan 8.360 nan 0.000 0.449 138 V N 1.896 121.829 119.914 0.031 0.000 2.287 138 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 138 V C 2.304 178.400 176.094 0.004 0.000 1.053 138 V CA 1.960 64.269 62.300 0.015 0.000 1.027 138 V CB -0.386 31.440 31.823 0.005 0.000 0.646 138 V HN 0.248 nan 8.190 nan 0.000 0.447 139 K N -0.539 119.859 120.400 -0.004 0.000 2.063 139 K HA -0.214 4.105 4.320 -0.001 0.000 0.208 139 K C 2.088 178.679 176.600 -0.015 0.000 1.048 139 K CA 1.634 57.912 56.287 -0.015 0.000 0.928 139 K CB -0.417 32.070 32.500 -0.022 0.000 0.713 139 K HN 0.292 nan 8.250 nan 0.000 0.442 140 L N 1.480 122.701 121.223 -0.005 0.000 2.056 140 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 140 L C 1.930 178.811 176.870 0.019 0.000 1.078 140 L CA 1.467 56.307 54.840 0.001 0.000 0.749 140 L CB -0.207 41.852 42.059 0.001 0.000 0.901 140 L HN 0.133 nan 8.230 nan 0.000 0.433 141 I N -0.490 120.096 120.570 0.027 0.000 2.286 141 I HA -0.282 3.887 4.170 -0.001 0.000 0.248 141 I C 2.464 178.587 176.117 0.009 0.000 1.115 141 I CA 1.246 62.566 61.300 0.034 0.000 1.392 141 I CB -0.386 37.636 38.000 0.037 0.000 1.065 141 I HN 0.256 nan 8.210 nan 0.000 0.418 142 K N 1.844 122.239 120.400 -0.007 0.000 2.032 142 K HA -0.240 4.079 4.320 -0.001 0.000 0.209 142 K C 2.049 178.612 176.600 -0.062 0.000 1.048 142 K CA 1.763 58.035 56.287 -0.025 0.000 0.927 142 K CB -0.314 32.171 32.500 -0.024 0.000 0.712 142 K HN 0.113 nan 8.250 nan 0.000 0.441 143 K N -0.105 120.240 120.400 -0.091 0.000 2.009 143 K HA -0.155 4.164 4.320 -0.001 0.000 0.210 143 K C 2.126 178.527 176.600 -0.331 0.000 1.049 143 K CA 2.042 58.194 56.287 -0.225 0.000 0.929 143 K CB -0.172 32.218 32.500 -0.183 0.000 0.714 143 K HN 0.182 nan 8.250 nan 0.000 0.440 144 M N -0.137 119.396 119.600 -0.112 0.000 2.108 144 M HA -0.123 4.356 4.480 -0.001 0.000 0.261 144 M C 2.310 178.615 176.300 0.009 0.000 1.066 144 M CA 1.857 57.162 55.300 0.008 0.000 1.107 144 M CB -0.554 32.131 32.600 0.142 0.000 1.356 144 M HN 0.405 nan 8.290 nan 0.000 0.406 145 G N 0.251 109.048 108.800 -0.005 0.000 2.418 145 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.217 145 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.217 145 G C 0.993 175.889 174.900 -0.006 0.000 1.158 145 G CA 1.079 46.180 45.100 0.002 0.000 0.771 145 G HN 0.349 nan 8.290 nan 0.000 0.545 146 D N 0.353 120.734 120.400 -0.033 0.000 2.104 146 D HA -0.108 4.532 4.640 -0.001 0.000 0.194 146 D C 2.233 178.586 176.300 0.088 0.000 0.994 146 D CA 1.057 55.057 54.000 -0.001 0.000 0.830 146 D CB -0.462 40.317 40.800 -0.035 0.000 0.959 146 D HN 0.269 nan 8.370 nan 0.000 0.452 147 H N 0.473 119.547 119.070 0.008 0.000 2.290 147 H HA -0.038 4.517 4.556 -0.002 0.000 0.298 147 H C 2.356 177.551 175.328 -0.221 0.000 1.087 147 H CA 0.434 56.474 56.048 -0.012 0.000 1.291 147 H CB -0.860 28.894 29.762 -0.014 0.000 1.369 147 H HN 0.111 nan 8.280 nan 0.000 0.492 148 L N 0.194 121.409 121.223 -0.013 0.000 2.012 148 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 148 L C 2.137 178.945 176.870 -0.103 0.000 1.073 148 L CA 1.850 56.639 54.840 -0.085 0.000 0.748 148 L CB -0.469 41.580 42.059 -0.016 0.000 0.891 148 L HN 0.301 nan 8.230 nan 0.000 0.431 149 T N -0.181 114.343 114.554 -0.050 0.000 2.720 149 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 149 T C 1.679 176.342 174.700 -0.062 0.000 1.037 149 T CA 1.570 63.646 62.100 -0.039 0.000 1.144 149 T CB -0.250 68.613 68.868 -0.009 0.000 0.864 149 T HN 0.411 nan 8.240 nan 0.000 0.444 150 N N 0.833 119.493 118.700 -0.066 0.000 2.106 150 N HA -0.002 4.737 4.740 -0.001 0.000 0.188 150 N C 1.977 177.354 175.510 -0.222 0.000 1.029 150 N CA 1.097 54.109 53.050 -0.063 0.000 0.848 150 N CB -0.275 38.279 38.487 0.111 0.000 1.007 150 N HN 0.375 nan 8.380 nan 0.000 0.423 151 I N 1.847 122.104 120.570 -0.522 0.000 2.163 151 I HA -0.286 3.883 4.170 -0.001 0.000 0.243 151 I C 2.450 178.428 176.117 -0.231 0.000 1.085 151 I CA 1.219 62.188 61.300 -0.551 0.000 1.347 151 I CB -0.305 37.263 38.000 -0.720 0.000 1.044 151 I HN 0.119 nan 8.210 nan 0.000 0.408 152 Q N 0.200 119.902 119.800 -0.163 0.000 2.084 152 Q HA -0.245 4.095 4.340 -0.001 0.000 0.202 152 Q C 2.372 178.340 176.000 -0.053 0.000 0.978 152 Q CA 1.466 57.221 55.803 -0.080 0.000 0.844 152 Q CB -0.284 28.420 28.738 -0.055 0.000 0.898 152 Q HN 0.423 nan 8.270 nan 0.000 0.426 153 R N 0.707 121.177 120.500 -0.052 0.000 2.096 153 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 153 R C 2.051 178.342 176.300 -0.014 0.000 1.127 153 R CA 0.983 57.069 56.100 -0.024 0.000 0.968 153 R CB -0.080 30.212 30.300 -0.013 0.000 0.861 153 R HN 0.217 nan 8.270 nan 0.000 0.440 154 L N 0.233 121.441 121.223 -0.025 0.000 2.072 154 L HA -0.087 4.252 4.340 -0.001 0.000 0.205 154 L C 2.291 179.165 176.870 0.007 0.000 1.079 154 L CA 0.878 55.719 54.840 0.001 0.000 0.752 154 L CB -0.115 41.954 42.059 0.016 0.000 0.906 154 L HN 0.194 nan 8.230 nan 0.000 0.436 155 V N -4.018 115.890 119.914 -0.010 0.000 3.406 155 V HA 0.169 4.288 4.120 -0.001 0.000 0.263 155 V C 2.095 178.194 176.094 0.008 0.000 1.172 155 V CA 1.064 63.368 62.300 0.006 0.000 1.140 155 V CB -0.851 30.974 31.823 0.003 0.000 0.784 155 V HN 0.306 nan 8.190 nan 0.000 0.467 156 G N 0.537 109.338 108.800 0.001 0.000 2.402 156 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.216 156 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.216 156 G C 1.633 176.539 174.900 0.009 0.000 1.162 156 G CA 1.090 46.193 45.100 0.004 0.000 0.777 156 G HN 0.512 nan 8.290 nan 0.000 0.539 157 S N -0.254 115.453 115.700 0.011 0.000 2.344 157 S HA 0.021 4.490 4.470 -0.001 0.000 0.217 157 S C 0.907 175.518 174.600 0.019 0.000 1.033 157 S CA 1.000 59.210 58.200 0.015 0.000 1.017 157 S CB -0.086 63.125 63.200 0.019 0.000 0.941 157 S HN 0.486 nan 8.310 nan 0.000 0.430 158 Q N -2.137 117.678 119.800 0.025 0.000 2.380 158 Q HA 0.476 4.815 4.340 -0.001 0.000 0.245 158 Q C -0.000 176.022 176.000 0.038 0.000 0.893 158 Q CA -0.080 55.740 55.803 0.028 0.000 0.922 158 Q CB 1.714 30.469 28.738 0.029 0.000 1.432 158 Q HN 0.269 nan 8.270 nan 0.000 0.434 159 A N 2.114 124.956 122.820 0.037 0.000 1.855 159 A HA -0.028 4.291 4.320 -0.001 0.000 0.215 159 A C 1.699 179.322 177.584 0.065 0.000 1.191 159 A CA 1.992 54.056 52.037 0.046 0.000 0.613 159 A CB -0.782 18.244 19.000 0.044 0.000 0.829 159 A HN 0.853 nan 8.150 nan 0.000 0.442 160 G N -0.033 108.803 108.800 0.061 0.000 2.433 160 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.216 160 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.216 160 G C 1.522 176.480 174.900 0.098 0.000 1.186 160 G CA 1.303 46.446 45.100 0.072 0.000 0.779 160 G HN 0.546 nan 8.290 nan 0.000 0.543 161 L N 1.661 122.931 121.223 0.078 0.000 2.046 161 L HA 0.128 4.467 4.340 -0.001 0.000 0.208 161 L C 2.741 179.701 176.870 0.150 0.000 1.077 161 L CA 2.566 57.469 54.840 0.104 0.000 0.747 161 L CB -1.067 41.032 42.059 0.067 0.000 0.896 161 L HN 0.164 nan 8.230 nan 0.000 0.432 162 G N -1.264 107.600 108.800 0.107 0.000 2.418 162 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.217 162 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.217 162 G C 1.510 176.488 174.900 0.129 0.000 1.158 162 G CA 0.730 45.891 45.100 0.101 0.000 0.771 162 G HN 0.556 nan 8.290 nan 0.000 0.545 163 E N -0.810 119.471 120.200 0.135 0.000 2.077 163 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 163 E C 2.027 178.745 176.600 0.196 0.000 0.989 163 E CA 0.781 57.276 56.400 0.158 0.000 0.800 163 E CB -0.290 29.505 29.700 0.158 0.000 0.746 163 E HN 0.503 nan 8.360 nan 0.000 0.452 164 Y N 1.044 121.389 120.300 0.074 0.000 2.145 164 Y HA -0.211 4.338 4.550 -0.001 0.000 0.286 164 Y C 1.892 177.813 175.900 0.035 0.000 1.145 164 Y CA 1.736 59.865 58.100 0.049 0.000 1.148 164 Y CB -0.318 38.162 38.460 0.034 0.000 0.981 164 Y HN 0.034 nan 8.280 nan 0.000 0.507 165 L N -1.307 119.954 121.223 0.063 0.000 2.083 165 L HA -0.224 4.115 4.340 -0.001 0.000 0.209 165 L C 2.349 179.163 176.870 -0.093 0.000 1.083 165 L CA 1.534 56.343 54.840 -0.052 0.000 0.752 165 L CB -0.742 41.355 42.059 0.063 0.000 0.899 165 L HN 0.283 nan 8.230 nan 0.000 0.433 166 F N 0.922 120.789 119.950 -0.139 0.000 2.102 166 F HA -0.241 4.285 4.527 -0.001 0.000 0.298 166 F C 2.677 178.331 175.800 -0.244 0.000 1.105 166 F CA 1.830 59.723 58.000 -0.178 0.000 1.239 166 F CB -0.227 38.676 39.000 -0.161 0.000 0.991 166 F HN 0.067 nan 8.300 nan 0.000 0.474 167 E N 0.365 120.419 120.200 -0.243 0.000 2.110 167 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 167 E C 2.280 178.639 176.600 -0.403 0.000 0.988 167 E CA 0.992 57.190 56.400 -0.337 0.000 0.804 167 E CB -0.076 29.528 29.700 -0.160 0.000 0.745 167 E HN 0.323 nan 8.360 nan 0.000 0.458 168 R N -0.151 120.082 120.500 -0.445 0.000 2.075 168 R HA 0.043 4.382 4.340 -0.001 0.000 0.226 168 R C 2.472 178.573 176.300 -0.332 0.000 1.114 168 R CA 0.697 56.543 56.100 -0.424 0.000 0.972 168 R CB -0.310 29.650 30.300 -0.567 0.000 0.869 168 R HN 0.285 nan 8.270 nan 0.000 0.437 169 L N -0.821 120.203 121.223 -0.333 0.000 2.556 169 L HA 0.117 4.456 4.340 -0.001 0.000 0.226 169 L C 1.659 178.342 176.870 -0.311 0.000 1.089 169 L CA 0.482 55.166 54.840 -0.260 0.000 0.864 169 L CB 0.175 42.130 42.059 -0.174 0.000 1.067 169 L HN 0.063 nan 8.230 nan 0.000 0.477 170 T N -0.236 114.003 114.554 -0.524 0.000 3.044 170 T HA 0.245 4.594 4.350 -0.001 0.000 0.237 170 T C 0.963 175.309 174.700 -0.590 0.000 1.001 170 T CA 0.149 61.877 62.100 -0.621 0.000 1.160 170 T CB 0.257 68.495 68.868 -1.050 0.000 0.889 170 T HN -0.082 nan 8.240 nan 0.000 0.442 171 L N 0.000 120.791 121.223 -0.720 0.000 2.949 171 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 171 L CA 0.000 54.541 54.840 -0.498 0.000 0.813 171 L CB 0.000 41.733 42.059 -0.543 0.000 0.961 171 L HN 0.000 nan 8.230 nan 0.000 0.502