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 2v2j_1_A DATA FIRST_RESID 2 DATA SEQUENCE SQIRQNYSTE VEAAVNRLVN LYLRASYTYL SLGFYFDRDD VALEGVCHFF DATA SEQUENCE RELAEEKREG AERLLKMQNQ RGGRALFQDL QKPSQDEWGT TPDAMKAAIV DATA SEQUENCE LEKSLNQALL DLHALGSAQA DPHLCDFLES HFLDEEVKLI KKMGDHLTNI DATA SEQUENCE QRLVGSQAGL GEYLFERLTL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.591 174.600 -0.015 0.000 1.055 2 S CA 0.000 58.193 58.200 -0.011 0.000 1.107 2 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 3 Q N 3.636 123.424 119.800 -0.019 0.000 2.369 3 Q HA 0.025 4.364 4.340 -0.002 0.000 0.206 3 Q C 1.411 177.394 176.000 -0.028 0.000 0.963 3 Q CA 1.617 57.407 55.803 -0.020 0.000 0.894 3 Q CB -0.426 28.301 28.738 -0.019 0.000 0.965 3 Q HN 0.882 nan 8.270 nan 0.000 0.475 4 I N -2.871 117.676 120.570 -0.039 0.000 3.939 4 I HA 0.263 4.432 4.170 -0.002 0.000 0.313 4 I C 0.975 177.053 176.117 -0.065 0.000 1.274 4 I CA -0.648 60.619 61.300 -0.056 0.000 1.301 4 I CB 0.216 38.172 38.000 -0.074 0.000 1.105 4 I HN -0.106 nan 8.210 nan 0.000 0.427 5 R N 2.982 123.453 120.500 -0.049 0.000 2.449 5 R HA 0.195 4.534 4.340 -0.002 0.000 0.296 5 R C -0.593 175.699 176.300 -0.014 0.000 1.047 5 R CA 0.355 56.434 56.100 -0.034 0.000 1.018 5 R CB 0.401 30.708 30.300 0.012 0.000 0.962 5 R HN 0.500 nan 8.270 nan 0.000 0.428 6 Q N 3.557 123.350 119.800 -0.012 0.000 2.281 6 Q HA 0.072 4.411 4.340 -0.002 0.000 0.263 6 Q C -0.989 175.027 176.000 0.026 0.000 0.989 6 Q CA -0.531 55.272 55.803 -0.001 0.000 0.852 6 Q CB 1.225 29.947 28.738 -0.026 0.000 1.337 6 Q HN 0.799 nan 8.270 nan 0.000 0.418 7 N N 2.014 120.739 118.700 0.041 0.000 2.714 7 N HA -0.265 4.474 4.740 -0.002 0.000 0.250 7 N C -2.062 173.517 175.510 0.115 0.000 1.117 7 N CA 1.048 54.131 53.050 0.054 0.000 0.719 7 N CB -0.919 37.592 38.487 0.040 0.000 1.081 7 N HN 0.570 nan 8.380 nan 0.000 0.557 8 Y N 0.851 121.123 120.300 -0.046 0.000 2.464 8 Y HA 0.466 5.016 4.550 -0.001 0.000 0.326 8 Y C 0.162 176.035 175.900 -0.045 0.000 0.969 8 Y CA -0.772 57.297 58.100 -0.053 0.000 1.270 8 Y CB 0.323 38.740 38.460 -0.072 0.000 1.103 8 Y HN 0.219 nan 8.280 nan 0.000 0.491 9 S N 1.476 117.005 115.700 -0.285 0.000 2.585 9 S HA 0.071 4.540 4.470 -0.002 0.000 0.273 9 S C 1.330 175.726 174.600 -0.340 0.000 1.339 9 S CA 0.050 58.107 58.200 -0.238 0.000 1.028 9 S CB 1.174 64.269 63.200 -0.175 0.000 0.906 9 S HN 0.784 nan 8.310 nan 0.000 0.528 10 T N -0.528 113.909 114.554 -0.195 0.000 2.833 10 T HA -0.116 4.233 4.350 -0.002 0.000 0.269 10 T C 1.237 175.831 174.700 -0.177 0.000 1.054 10 T CA 1.413 63.414 62.100 -0.165 0.000 1.135 10 T CB -0.649 68.164 68.868 -0.092 0.000 0.869 10 T HN 0.690 nan 8.240 nan 0.000 0.466 11 E N 0.883 120.984 120.200 -0.165 0.000 2.047 11 E HA -0.005 4.344 4.350 -0.002 0.000 0.191 11 E C 2.391 178.889 176.600 -0.170 0.000 0.987 11 E CA 0.912 57.230 56.400 -0.136 0.000 0.799 11 E CB -0.560 29.078 29.700 -0.104 0.000 0.752 11 E HN 0.341 nan 8.360 nan 0.000 0.449 12 V N 1.082 120.840 119.914 -0.261 0.000 2.295 12 V HA -0.286 3.833 4.120 -0.002 0.000 0.246 12 V C 2.369 178.269 176.094 -0.324 0.000 1.049 12 V CA 2.115 64.238 62.300 -0.296 0.000 1.024 12 V CB -0.487 31.098 31.823 -0.397 0.000 0.648 12 V HN 0.339 nan 8.190 nan 0.000 0.447 13 E N 0.394 120.293 120.200 -0.501 0.000 2.065 13 E HA -0.312 4.037 4.350 -0.002 0.000 0.201 13 E C 2.206 178.731 176.600 -0.124 0.000 1.016 13 E CA 1.888 58.130 56.400 -0.264 0.000 0.818 13 E CB -0.292 29.291 29.700 -0.196 0.000 0.749 13 E HN 0.548 nan 8.360 nan 0.000 0.453 14 A N 1.163 123.908 122.820 -0.124 0.000 1.883 14 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 14 A C 2.452 179.996 177.584 -0.065 0.000 1.186 14 A CA 2.191 54.179 52.037 -0.082 0.000 0.624 14 A CB -0.961 17.997 19.000 -0.071 0.000 0.822 14 A HN 0.467 nan 8.150 nan 0.000 0.444 15 A N -0.662 122.117 122.820 -0.069 0.000 1.933 15 A HA -0.009 4.311 4.320 -0.002 0.000 0.218 15 A C 2.229 179.793 177.584 -0.033 0.000 1.175 15 A CA 1.830 53.841 52.037 -0.044 0.000 0.628 15 A CB -0.912 18.059 19.000 -0.048 0.000 0.814 15 A HN 0.410 nan 8.150 nan 0.000 0.444 16 V N 0.890 120.777 119.914 -0.045 0.000 2.343 16 V HA -0.257 3.862 4.120 -0.002 0.000 0.247 16 V C 2.327 178.397 176.094 -0.040 0.000 1.051 16 V CA 2.084 64.363 62.300 -0.034 0.000 1.036 16 V CB -0.969 30.849 31.823 -0.009 0.000 0.654 16 V HN 0.547 nan 8.190 nan 0.000 0.451 17 N N 0.396 119.059 118.700 -0.061 0.000 2.069 17 N HA -0.160 4.580 4.740 -0.002 0.000 0.191 17 N C 1.979 177.464 175.510 -0.042 0.000 1.031 17 N CA 1.484 54.479 53.050 -0.091 0.000 0.852 17 N CB -0.360 38.055 38.487 -0.121 0.000 1.018 17 N HN 0.477 nan 8.380 nan 0.000 0.423 18 R N 0.167 120.657 120.500 -0.017 0.000 2.081 18 R HA -0.071 4.268 4.340 -0.002 0.000 0.235 18 R C 2.024 178.358 176.300 0.056 0.000 1.131 18 R CA 0.696 56.807 56.100 0.018 0.000 0.960 18 R CB -0.464 29.844 30.300 0.013 0.000 0.856 18 R HN 0.135 nan 8.270 nan 0.000 0.436 19 L N 0.761 122.018 121.223 0.057 0.000 2.141 19 L HA -0.111 4.228 4.340 -0.002 0.000 0.209 19 L C 2.067 179.051 176.870 0.190 0.000 1.094 19 L CA 1.308 56.222 54.840 0.124 0.000 0.763 19 L CB -0.151 41.948 42.059 0.067 0.000 0.908 19 L HN -0.099 nan 8.230 nan 0.000 0.437 20 V N 0.138 120.115 119.914 0.104 0.000 2.287 20 V HA -0.351 3.768 4.120 -0.002 0.000 0.248 20 V C 2.501 178.716 176.094 0.201 0.000 1.053 20 V CA 2.158 64.542 62.300 0.140 0.000 1.027 20 V CB -0.946 30.914 31.823 0.063 0.000 0.646 20 V HN 0.646 nan 8.190 nan 0.000 0.447 21 N N -0.021 118.769 118.700 0.149 0.000 2.120 21 N HA -0.184 4.555 4.740 -0.002 0.000 0.188 21 N C 1.931 177.533 175.510 0.152 0.000 1.024 21 N CA 1.639 54.778 53.050 0.150 0.000 0.852 21 N CB -0.069 38.481 38.487 0.106 0.000 1.003 21 N HN 0.390 nan 8.380 nan 0.000 0.424 22 L N 0.464 121.778 121.223 0.152 0.000 2.017 22 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 22 L C 1.975 178.906 176.870 0.101 0.000 1.073 22 L CA 1.475 56.385 54.840 0.116 0.000 0.745 22 L CB -0.728 41.397 42.059 0.109 0.000 0.894 22 L HN 0.170 nan 8.230 nan 0.000 0.432 23 Y N -0.799 119.563 120.300 0.104 0.000 2.181 23 Y HA -0.232 4.317 4.550 -0.002 0.000 0.288 23 Y C 2.351 178.334 175.900 0.137 0.000 1.146 23 Y CA 1.681 59.862 58.100 0.135 0.000 1.164 23 Y CB -0.363 38.197 38.460 0.166 0.000 0.982 23 Y HN 0.104 nan 8.280 nan 0.000 0.515 24 L N -0.734 120.648 121.223 0.266 0.000 2.083 24 L HA -0.223 4.116 4.340 -0.002 0.000 0.209 24 L C 2.638 179.606 176.870 0.164 0.000 1.083 24 L CA 1.243 56.199 54.840 0.194 0.000 0.752 24 L CB -0.422 41.739 42.059 0.170 0.000 0.899 24 L HN 0.131 nan 8.230 nan 0.000 0.433 25 R N 0.033 120.623 120.500 0.149 0.000 2.092 25 R HA -0.122 4.217 4.340 -0.002 0.000 0.231 25 R C 2.310 178.660 176.300 0.084 0.000 1.119 25 R CA 1.207 57.398 56.100 0.152 0.000 0.970 25 R CB -0.115 30.252 30.300 0.112 0.000 0.864 25 R HN 0.340 nan 8.270 nan 0.000 0.440 26 A N -0.164 122.660 122.820 0.005 0.000 1.898 26 A HA -0.157 4.163 4.320 -0.002 0.000 0.216 26 A C 2.134 179.690 177.584 -0.048 0.000 1.181 26 A CA 1.798 53.756 52.037 -0.132 0.000 0.620 26 A CB -0.699 18.201 19.000 -0.167 0.000 0.819 26 A HN 0.391 nan 8.150 nan 0.000 0.442 27 S N -1.845 113.940 115.700 0.142 0.000 2.365 27 S HA -0.214 4.255 4.470 -0.002 0.000 0.225 27 S C 1.953 176.709 174.600 0.259 0.000 1.039 27 S CA 1.784 60.128 58.200 0.241 0.000 1.033 27 S CB -0.538 62.792 63.200 0.217 0.000 0.887 27 S HN 0.609 nan 8.310 nan 0.000 0.447 28 Y N 2.420 122.763 120.300 0.071 0.000 2.145 28 Y HA -0.078 4.471 4.550 -0.002 0.000 0.286 28 Y C 2.694 178.624 175.900 0.049 0.000 1.145 28 Y CA 1.855 60.000 58.100 0.074 0.000 1.148 28 Y CB -1.287 37.212 38.460 0.064 0.000 0.981 28 Y HN 0.286 nan 8.280 nan 0.000 0.507 29 T N -0.109 114.451 114.554 0.012 0.000 2.699 29 T HA -0.245 4.104 4.350 -0.002 0.000 0.268 29 T C 1.628 176.156 174.700 -0.287 0.000 1.036 29 T CA 2.013 63.996 62.100 -0.195 0.000 1.147 29 T CB -0.635 68.028 68.868 -0.342 0.000 0.862 29 T HN 0.317 nan 8.240 nan 0.000 0.446 30 Y N 0.644 120.888 120.300 -0.094 0.000 2.314 30 Y HA 0.113 4.662 4.550 -0.001 0.000 0.293 30 Y C 2.094 178.003 175.900 0.015 0.000 1.129 30 Y CA -0.349 57.689 58.100 -0.103 0.000 1.201 30 Y CB -0.826 37.637 38.460 0.006 0.000 0.999 30 Y HN 0.103 nan 8.280 nan 0.000 0.541 31 L N -0.779 120.606 121.223 0.271 0.000 2.012 31 L HA -0.217 4.122 4.340 -0.002 0.000 0.210 31 L C 2.610 179.695 176.870 0.357 0.000 1.073 31 L CA 2.163 57.208 54.840 0.341 0.000 0.748 31 L CB -1.095 41.206 42.059 0.403 0.000 0.891 31 L HN 0.180 nan 8.230 nan 0.000 0.431 32 S N -1.201 114.632 115.700 0.222 0.000 2.368 32 S HA -0.148 4.321 4.470 -0.002 0.000 0.225 32 S C 2.062 176.796 174.600 0.224 0.000 1.030 32 S CA 1.449 59.809 58.200 0.265 0.000 0.999 32 S CB -0.376 62.987 63.200 0.272 0.000 0.844 32 S HN 0.464 nan 8.310 nan 0.000 0.459 33 L N 0.816 121.933 121.223 -0.175 0.000 2.017 33 L HA 0.013 4.352 4.340 -0.002 0.000 0.208 33 L C 2.807 179.820 176.870 0.239 0.000 1.073 33 L CA 1.297 55.883 54.840 -0.424 0.000 0.745 33 L CB -1.026 40.405 42.059 -1.047 0.000 0.894 33 L HN 0.489 nan 8.230 nan 0.000 0.432 34 G N -0.441 108.511 108.800 0.253 0.000 2.459 34 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.217 34 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.217 34 G C 1.330 176.310 174.900 0.133 0.000 1.183 34 G CA 0.726 45.971 45.100 0.242 0.000 0.776 34 G HN 0.222 nan 8.290 nan 0.000 0.552 35 F N -0.437 119.674 119.950 0.268 0.000 2.293 35 F HA 0.049 4.575 4.527 -0.002 0.000 0.300 35 F C 2.248 178.181 175.800 0.222 0.000 1.086 35 F CA 0.696 58.829 58.000 0.221 0.000 1.375 35 F CB -0.480 38.629 39.000 0.180 0.000 1.045 35 F HN 0.274 nan 8.300 nan 0.000 0.516 36 Y N -0.561 119.905 120.300 0.277 0.000 2.200 36 Y HA -0.237 4.312 4.550 -0.002 0.000 0.290 36 Y C 1.871 177.757 175.900 -0.023 0.000 1.137 36 Y CA 1.507 59.678 58.100 0.119 0.000 1.163 36 Y CB -0.803 37.746 38.460 0.147 0.000 0.988 36 Y HN -0.016 nan 8.280 nan 0.000 0.518 37 F N 0.333 120.368 119.950 0.141 0.000 2.604 37 F HA -0.035 4.491 4.527 -0.002 0.000 0.298 37 F C 1.890 177.678 175.800 -0.020 0.000 1.131 37 F CA 1.452 59.467 58.000 0.025 0.000 1.457 37 F CB -0.398 38.724 39.000 0.203 0.000 1.095 37 F HN 0.158 nan 8.300 nan 0.000 0.574 38 D N -0.040 120.439 120.400 0.132 0.000 2.355 38 D HA -0.038 4.601 4.640 -0.002 0.000 0.218 38 D C 0.726 177.062 176.300 0.059 0.000 1.004 38 D CA 0.158 54.214 54.000 0.094 0.000 0.880 38 D CB 0.100 40.978 40.800 0.130 0.000 0.911 38 D HN 0.035 nan 8.370 nan 0.000 0.528 39 R N 1.011 121.497 120.500 -0.023 0.000 2.570 39 R HA 0.010 4.349 4.340 -0.002 0.000 0.277 39 R C 1.430 177.701 176.300 -0.048 0.000 1.039 39 R CA 0.542 56.611 56.100 -0.052 0.000 1.065 39 R CB 0.497 30.698 30.300 -0.166 0.000 0.964 39 R HN 0.324 nan 8.270 nan 0.000 0.428 40 D N 2.286 122.677 120.400 -0.014 0.000 2.265 40 D HA -0.195 4.444 4.640 -0.002 0.000 0.208 40 D C 0.367 176.653 176.300 -0.024 0.000 0.977 40 D CA 1.203 55.199 54.000 -0.007 0.000 0.871 40 D CB 0.039 40.843 40.800 0.006 0.000 0.925 40 D HN 0.609 nan 8.370 nan 0.000 0.485 41 D N 0.200 120.570 120.400 -0.050 0.000 2.342 41 D HA 0.018 4.657 4.640 -0.002 0.000 0.221 41 D C 1.526 177.771 176.300 -0.091 0.000 1.101 41 D CA -0.207 53.761 54.000 -0.052 0.000 0.837 41 D CB 0.607 41.383 40.800 -0.040 0.000 0.938 41 D HN 0.267 nan 8.370 nan 0.000 0.508 42 V N 0.031 119.864 119.914 -0.135 0.000 3.134 42 V HA 0.418 4.537 4.120 -0.002 0.000 0.222 42 V C 0.982 177.066 176.094 -0.017 0.000 1.247 42 V CA 0.307 62.506 62.300 -0.167 0.000 1.281 42 V CB -0.532 30.971 31.823 -0.533 0.000 1.169 42 V HN 0.313 nan 8.190 nan 0.000 0.512 43 A N 0.900 123.717 122.820 -0.005 0.000 2.578 43 A HA -0.188 4.131 4.320 -0.002 0.000 0.298 43 A C -0.178 177.460 177.584 0.090 0.000 1.472 43 A CA 0.821 52.884 52.037 0.043 0.000 0.734 43 A CB -2.057 16.962 19.000 0.033 0.000 1.091 43 A HN 0.483 nan 8.150 nan 0.000 0.426 44 L N -0.038 121.270 121.223 0.141 0.000 2.433 44 L HA 0.314 4.653 4.340 -0.002 0.000 0.256 44 L C 1.311 178.188 176.870 0.012 0.000 1.063 44 L CA -0.126 54.781 54.840 0.112 0.000 0.922 44 L CB 1.135 43.323 42.059 0.216 0.000 1.238 44 L HN 0.647 nan 8.230 nan 0.000 0.466 45 E N 2.109 122.252 120.200 -0.094 0.000 2.077 45 E HA -0.176 4.173 4.350 -0.002 0.000 0.193 45 E C 1.947 178.296 176.600 -0.418 0.000 0.989 45 E CA 1.528 57.765 56.400 -0.273 0.000 0.800 45 E CB 0.233 29.742 29.700 -0.318 0.000 0.746 45 E HN 0.852 nan 8.360 nan 0.000 0.452 46 G N 0.343 108.963 108.800 -0.300 0.000 2.469 46 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.219 46 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.219 46 G C 1.608 176.374 174.900 -0.224 0.000 1.150 46 G CA 1.179 46.121 45.100 -0.264 0.000 0.763 46 G HN 0.233 nan 8.290 nan 0.000 0.561 47 V N 0.289 120.056 119.914 -0.244 0.000 2.323 47 V HA -0.175 3.944 4.120 -0.002 0.000 0.244 47 V C 2.952 178.973 176.094 -0.123 0.000 1.041 47 V CA 1.402 63.492 62.300 -0.351 0.000 1.025 47 V CB -0.887 30.519 31.823 -0.695 0.000 0.656 47 V HN 0.616 nan 8.190 nan 0.000 0.451 48 C N 0.650 119.965 119.300 0.025 0.000 2.367 48 C HA -0.302 4.157 4.460 -0.002 0.000 0.276 48 C C 2.677 177.743 174.990 0.126 0.000 1.195 48 C CA 2.087 61.189 59.018 0.140 0.000 1.756 48 C CB -1.339 26.438 27.740 0.062 0.000 2.046 48 C HN 0.703 nan 8.230 nan 0.000 0.453 49 H N -1.808 117.245 119.070 -0.028 0.000 2.319 49 H HA -0.152 4.403 4.556 -0.001 0.000 0.299 49 H C 2.170 177.452 175.328 -0.076 0.000 1.092 49 H CA 1.815 57.830 56.048 -0.055 0.000 1.302 49 H CB -0.467 29.261 29.762 -0.057 0.000 1.373 49 H HN 0.611 nan 8.280 nan 0.000 0.497 50 F N 1.137 120.997 119.950 -0.150 0.000 2.063 50 F HA -0.308 4.218 4.527 -0.002 0.000 0.298 50 F C 1.755 177.338 175.800 -0.362 0.000 1.109 50 F CA 1.547 59.344 58.000 -0.338 0.000 1.212 50 F CB -0.457 38.197 39.000 -0.577 0.000 0.973 50 F HN -0.011 nan 8.300 nan 0.000 0.480 51 F N 0.301 120.195 119.950 -0.094 0.000 2.293 51 F HA 0.038 4.564 4.527 -0.001 0.000 0.297 51 F C 2.461 178.148 175.800 -0.189 0.000 1.089 51 F CA 0.998 58.866 58.000 -0.219 0.000 1.377 51 F CB -0.909 38.118 39.000 0.044 0.000 1.051 51 F HN -0.158 nan 8.300 nan 0.000 0.511 52 R N 0.250 120.789 120.500 0.065 0.000 2.120 52 R HA -0.121 4.218 4.340 -0.002 0.000 0.234 52 R C 1.940 178.208 176.300 -0.053 0.000 1.123 52 R CA 1.142 57.251 56.100 0.014 0.000 0.975 52 R CB -0.366 29.918 30.300 -0.028 0.000 0.866 52 R HN 0.265 nan 8.270 nan 0.000 0.446 53 E N 0.924 121.043 120.200 -0.136 0.000 2.106 53 E HA -0.117 4.232 4.350 -0.002 0.000 0.192 53 E C 2.160 178.623 176.600 -0.228 0.000 0.984 53 E CA 0.820 57.115 56.400 -0.173 0.000 0.806 53 E CB -0.130 29.449 29.700 -0.202 0.000 0.750 53 E HN 0.336 nan 8.360 nan 0.000 0.458 54 L N 0.612 121.594 121.223 -0.401 0.000 2.131 54 L HA -0.153 4.186 4.340 -0.002 0.000 0.210 54 L C 2.539 179.292 176.870 -0.195 0.000 1.092 54 L CA 0.974 55.508 54.840 -0.509 0.000 0.759 54 L CB -0.536 40.793 42.059 -1.216 0.000 0.903 54 L HN 0.054 nan 8.230 nan 0.000 0.435 55 A N 0.115 122.926 122.820 -0.016 0.000 1.883 55 A HA -0.301 4.018 4.320 -0.002 0.000 0.217 55 A C 2.265 179.927 177.584 0.130 0.000 1.186 55 A CA 2.102 54.253 52.037 0.189 0.000 0.624 55 A CB -0.615 18.510 19.000 0.207 0.000 0.822 55 A HN 0.495 nan 8.150 nan 0.000 0.444 56 E N -0.560 119.676 120.200 0.060 0.000 2.038 56 E HA -0.253 4.096 4.350 -0.002 0.000 0.195 56 E C 1.893 178.523 176.600 0.049 0.000 1.000 56 E CA 1.461 57.889 56.400 0.046 0.000 0.803 56 E CB -0.133 29.570 29.700 0.005 0.000 0.750 56 E HN 0.520 nan 8.360 nan 0.000 0.448 57 E N 0.536 120.745 120.200 0.015 0.000 2.085 57 E HA -0.184 4.165 4.350 -0.002 0.000 0.194 57 E C 1.999 178.683 176.600 0.140 0.000 0.994 57 E CA 0.946 57.365 56.400 0.031 0.000 0.801 57 E CB -0.080 29.605 29.700 -0.025 0.000 0.743 57 E HN 0.174 nan 8.360 nan 0.000 0.453 58 K N 0.452 120.972 120.400 0.199 0.000 2.103 58 K HA -0.059 4.260 4.320 -0.002 0.000 0.204 58 K C 2.114 178.926 176.600 0.352 0.000 1.052 58 K CA 0.541 57.036 56.287 0.346 0.000 0.945 58 K CB -0.327 32.349 32.500 0.294 0.000 0.722 58 K HN 0.088 nan 8.250 nan 0.000 0.443 59 R N 1.619 122.256 120.500 0.228 0.000 2.081 59 R HA -0.138 4.201 4.340 -0.002 0.000 0.235 59 R C 1.773 178.167 176.300 0.158 0.000 1.131 59 R CA 1.624 57.834 56.100 0.183 0.000 0.960 59 R CB 0.025 30.402 30.300 0.129 0.000 0.856 59 R HN 0.242 nan 8.270 nan 0.000 0.436 60 E N -0.789 119.485 120.200 0.124 0.000 2.077 60 E HA -0.133 4.216 4.350 -0.002 0.000 0.193 60 E C 1.922 178.569 176.600 0.078 0.000 0.989 60 E CA 1.098 57.543 56.400 0.075 0.000 0.800 60 E CB -0.277 29.438 29.700 0.025 0.000 0.746 60 E HN 0.586 nan 8.360 nan 0.000 0.452 61 G N 1.493 110.370 108.800 0.127 0.000 2.529 61 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.219 61 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.219 61 G C 1.713 176.670 174.900 0.095 0.000 1.177 61 G CA 1.309 46.477 45.100 0.114 0.000 0.773 61 G HN 0.382 nan 8.290 nan 0.000 0.573 62 A N 0.778 123.682 122.820 0.140 0.000 1.892 62 A HA -0.133 4.186 4.320 -0.002 0.000 0.218 62 A C 2.200 179.871 177.584 0.144 0.000 1.188 62 A CA 2.216 54.344 52.037 0.153 0.000 0.631 62 A CB -0.570 18.572 19.000 0.237 0.000 0.822 62 A HN 0.497 nan 8.150 nan 0.000 0.447 63 E N -1.174 119.109 120.200 0.138 0.000 2.110 63 E HA -0.192 4.157 4.350 -0.002 0.000 0.193 63 E C 2.304 178.974 176.600 0.116 0.000 0.988 63 E CA 1.120 57.590 56.400 0.117 0.000 0.804 63 E CB -0.142 29.609 29.700 0.086 0.000 0.745 63 E HN 0.596 nan 8.360 nan 0.000 0.458 64 R N 0.567 121.149 120.500 0.137 0.000 2.096 64 R HA -0.112 4.227 4.340 -0.002 0.000 0.235 64 R C 2.179 178.680 176.300 0.336 0.000 1.127 64 R CA 0.857 57.077 56.100 0.200 0.000 0.968 64 R CB -0.055 30.331 30.300 0.142 0.000 0.861 64 R HN 0.158 nan 8.270 nan 0.000 0.440 65 L N 0.207 121.601 121.223 0.286 0.000 2.109 65 L HA -0.135 4.204 4.340 -0.002 0.000 0.207 65 L C 2.211 179.103 176.870 0.035 0.000 1.086 65 L CA 0.901 55.837 54.840 0.161 0.000 0.760 65 L CB -0.180 41.895 42.059 0.026 0.000 0.910 65 L HN 0.236 nan 8.230 nan 0.000 0.437 66 L N -0.305 120.956 121.223 0.064 0.000 2.056 66 L HA -0.230 4.109 4.340 -0.002 0.000 0.207 66 L C 2.661 179.540 176.870 0.015 0.000 1.078 66 L CA 1.254 56.119 54.840 0.041 0.000 0.749 66 L CB -0.461 41.668 42.059 0.117 0.000 0.901 66 L HN 0.234 nan 8.230 nan 0.000 0.433 67 K N 0.084 120.506 120.400 0.035 0.000 2.009 67 K HA -0.267 4.052 4.320 -0.002 0.000 0.210 67 K C 2.306 178.876 176.600 -0.051 0.000 1.049 67 K CA 1.672 57.966 56.287 0.012 0.000 0.929 67 K CB -0.157 32.370 32.500 0.044 0.000 0.714 67 K HN 0.119 nan 8.250 nan 0.000 0.440 68 M N 1.279 120.820 119.600 -0.099 0.000 2.080 68 M HA -0.240 4.239 4.480 -0.002 0.000 0.260 68 M C 2.200 178.324 176.300 -0.294 0.000 1.068 68 M CA 1.966 57.095 55.300 -0.284 0.000 1.109 68 M CB -0.631 31.512 32.600 -0.762 0.000 1.342 68 M HN 0.277 nan 8.290 nan 0.000 0.405 69 Q N 1.019 120.694 119.800 -0.208 0.000 2.062 69 Q HA -0.232 4.107 4.340 -0.002 0.000 0.209 69 Q C 1.600 177.486 176.000 -0.190 0.000 0.996 69 Q CA 2.706 58.414 55.803 -0.158 0.000 0.859 69 Q CB -0.426 28.270 28.738 -0.069 0.000 0.920 69 Q HN 0.552 nan 8.270 nan 0.000 0.415 70 N N -0.357 118.264 118.700 -0.130 0.000 2.188 70 N HA -0.128 4.611 4.740 -0.002 0.000 0.184 70 N C 1.632 177.052 175.510 -0.150 0.000 1.018 70 N CA 1.324 54.309 53.050 -0.108 0.000 0.858 70 N CB -0.181 38.273 38.487 -0.055 0.000 0.989 70 N HN 0.438 nan 8.380 nan 0.000 0.426 71 Q N -0.082 119.613 119.800 -0.175 0.000 2.170 71 Q HA -0.004 4.335 4.340 -0.002 0.000 0.203 71 Q C 1.377 177.197 176.000 -0.299 0.000 0.976 71 Q CA 0.912 56.597 55.803 -0.195 0.000 0.858 71 Q CB 0.148 28.787 28.738 -0.166 0.000 0.907 71 Q HN 0.196 nan 8.270 nan 0.000 0.433 72 R N -1.228 119.001 120.500 -0.452 0.000 2.246 72 R HA 0.077 4.416 4.340 -0.002 0.000 0.199 72 R C 1.225 177.227 176.300 -0.498 0.000 0.984 72 R CA 0.887 56.584 56.100 -0.672 0.000 1.015 72 R CB 0.491 29.945 30.300 -1.409 0.000 0.930 72 R HN 0.422 nan 8.270 nan 0.000 0.475 73 G N -0.104 108.509 108.800 -0.312 0.000 2.144 73 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.218 73 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.218 73 G C 0.481 175.352 174.900 -0.049 0.000 0.988 73 G CA -0.029 44.984 45.100 -0.144 0.000 0.659 73 G HN 0.603 nan 8.290 nan 0.000 0.522 74 G N -0.828 107.950 108.800 -0.036 0.000 2.588 74 G HA2 0.599 4.558 3.960 -0.002 0.000 0.281 74 G HA3 0.599 4.558 3.960 -0.002 0.000 0.281 74 G C -0.229 174.684 174.900 0.021 0.000 1.236 74 G CA -0.648 44.523 45.100 0.118 0.000 0.969 74 G HN 0.287 nan 8.290 nan 0.000 0.504 75 R N -0.264 120.244 120.500 0.014 0.000 2.439 75 R HA 0.519 4.858 4.340 -0.002 0.000 0.310 75 R C 0.023 176.279 176.300 -0.074 0.000 0.955 75 R CA -0.774 55.311 56.100 -0.024 0.000 0.853 75 R CB 1.298 31.589 30.300 -0.016 0.000 1.171 75 R HN 0.639 nan 8.270 nan 0.000 0.449 76 A N 4.701 127.453 122.820 -0.114 0.000 2.488 76 A HA 0.401 4.720 4.320 -0.002 0.000 0.249 76 A C -0.188 177.182 177.584 -0.357 0.000 1.083 76 A CA 0.090 51.954 52.037 -0.289 0.000 0.768 76 A CB 0.176 19.000 19.000 -0.293 0.000 1.017 76 A HN 0.621 nan 8.150 nan 0.000 0.496 77 L N 2.515 123.459 121.223 -0.465 0.000 2.409 77 L HA 0.520 4.859 4.340 -0.002 0.000 0.272 77 L C -1.255 175.353 176.870 -0.435 0.000 0.980 77 L CA -0.334 54.317 54.840 -0.315 0.000 0.826 77 L CB 1.809 43.788 42.059 -0.134 0.000 1.268 77 L HN 0.676 nan 8.230 nan 0.000 0.407 78 F N 1.567 121.527 119.950 0.017 0.000 2.422 78 F HA 0.555 5.081 4.527 -0.002 0.000 0.333 78 F C 0.433 176.243 175.800 0.017 0.000 1.095 78 F CA -0.498 57.514 58.000 0.019 0.000 1.038 78 F CB 1.527 40.536 39.000 0.015 0.000 1.156 78 F HN 0.361 nan 8.300 nan 0.000 0.483 79 Q N 0.725 120.642 119.800 0.195 0.000 2.445 79 Q HA 0.295 4.634 4.340 -0.002 0.000 0.281 79 Q C -1.137 174.932 176.000 0.116 0.000 1.101 79 Q CA -1.003 54.873 55.803 0.121 0.000 0.833 79 Q CB 1.619 30.402 28.738 0.076 0.000 1.416 79 Q HN 0.506 nan 8.270 nan 0.000 0.451 80 D N 0.986 121.435 120.400 0.081 0.000 2.478 80 D HA 0.066 4.705 4.640 -0.002 0.000 0.234 80 D C -0.228 176.120 176.300 0.080 0.000 1.154 80 D CA 0.562 54.603 54.000 0.068 0.000 0.874 80 D CB 0.488 41.322 40.800 0.058 0.000 1.198 80 D HN 0.204 nan 8.370 nan 0.000 0.455 81 L N 2.953 124.222 121.223 0.076 0.000 2.265 81 L HA 0.132 4.471 4.340 -0.002 0.000 0.289 81 L C 0.534 177.503 176.870 0.165 0.000 1.033 81 L CA -0.889 54.017 54.840 0.110 0.000 0.814 81 L CB 0.931 43.029 42.059 0.065 0.000 1.203 81 L HN 0.088 nan 8.230 nan 0.000 0.423 82 Q N 3.624 123.513 119.800 0.148 0.000 2.361 82 Q HA 0.050 4.389 4.340 -0.002 0.000 0.276 82 Q C -0.040 176.073 176.000 0.188 0.000 1.022 82 Q CA 0.062 55.945 55.803 0.133 0.000 0.898 82 Q CB 0.855 29.641 28.738 0.080 0.000 1.246 82 Q HN 0.499 nan 8.270 nan 0.000 0.410 83 K N 2.075 122.553 120.400 0.130 0.000 2.397 83 K HA 0.236 4.555 4.320 -0.002 0.000 0.265 83 K C -2.231 174.321 176.600 -0.080 0.000 0.982 83 K CA -1.221 55.058 56.287 -0.013 0.000 0.931 83 K CB -0.503 31.975 32.500 -0.037 0.000 0.943 83 K HN 0.181 nan 8.250 nan 0.000 0.501 84 P HA -0.068 nan 4.420 nan 0.000 0.270 84 P C 0.247 177.523 177.300 -0.040 0.000 1.223 84 P CA -0.237 62.840 63.100 -0.037 0.000 0.785 84 P CB 0.766 32.514 31.700 0.080 0.000 0.923 85 S N -0.322 115.382 115.700 0.007 0.000 2.515 85 S HA -0.041 4.428 4.470 -0.002 0.000 0.231 85 S C 0.475 174.917 174.600 -0.264 0.000 0.987 85 S CA 0.536 58.687 58.200 -0.081 0.000 0.936 85 S CB -0.395 62.796 63.200 -0.014 0.000 0.766 85 S HN 0.515 nan 8.310 nan 0.000 0.528 86 Q N -0.332 119.143 119.800 -0.542 0.000 2.423 86 Q HA 0.408 4.747 4.340 -0.002 0.000 0.278 86 Q C -0.809 174.668 176.000 -0.871 0.000 1.097 86 Q CA -0.735 54.506 55.803 -0.937 0.000 0.809 86 Q CB 2.008 29.724 28.738 -1.704 0.000 1.391 86 Q HN 0.044 nan 8.270 nan 0.000 0.428 87 D N 0.578 120.586 120.400 -0.652 0.000 2.338 87 D HA 0.048 4.687 4.640 -0.002 0.000 0.208 87 D C -0.453 175.551 176.300 -0.492 0.000 0.997 87 D CA 0.940 54.688 54.000 -0.419 0.000 0.880 87 D CB 0.779 41.437 40.800 -0.237 0.000 0.980 87 D HN 0.409 nan 8.370 nan 0.000 0.509 88 E N -0.862 118.904 120.200 -0.724 0.000 2.248 88 E HA 0.268 4.617 4.350 -0.002 0.000 0.267 88 E C -0.480 175.468 176.600 -1.088 0.000 0.877 88 E CA -0.574 55.378 56.400 -0.746 0.000 0.759 88 E CB 1.846 31.359 29.700 -0.312 0.000 1.182 88 E HN 0.032 nan 8.360 nan 0.000 0.418 89 W N 1.818 122.327 121.300 -1.318 0.000 2.991 89 W HA 0.303 4.962 4.660 -0.001 0.000 0.391 89 W C 1.088 177.354 176.519 -0.423 0.000 1.054 89 W CA 0.292 57.160 57.345 -0.793 0.000 1.856 89 W CB 0.966 29.996 29.460 -0.717 0.000 1.132 89 W HN 0.980 nan 8.180 nan 0.000 0.601 90 G N 1.121 109.815 108.800 -0.178 0.000 2.527 90 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.268 90 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.268 90 G C 0.323 175.396 174.900 0.289 0.000 1.175 90 G CA 0.403 45.564 45.100 0.102 0.000 0.962 90 G HN 0.244 nan 8.290 nan 0.000 0.560 91 T N -3.207 111.519 114.554 0.286 0.000 2.923 91 T HA 0.632 4.981 4.350 -0.002 0.000 0.281 91 T C 1.568 176.543 174.700 0.458 0.000 0.995 91 T CA 0.881 63.188 62.100 0.345 0.000 0.985 91 T CB 1.242 70.231 68.868 0.200 0.000 1.114 91 T HN 0.991 nan 8.240 nan 0.000 0.548 92 T N 2.367 117.158 114.554 0.394 0.000 2.635 92 T HA -0.046 4.303 4.350 -0.002 0.000 0.267 92 T C -0.718 174.065 174.700 0.138 0.000 1.040 92 T CA 1.784 64.018 62.100 0.223 0.000 1.156 92 T CB -1.425 67.462 68.868 0.032 0.000 0.863 92 T HN 0.634 nan 8.240 nan 0.000 0.430 93 P HA -0.081 nan 4.420 nan 0.000 0.215 93 P C 0.950 178.314 177.300 0.107 0.000 1.153 93 P CA 1.225 64.346 63.100 0.035 0.000 0.853 93 P CB -0.123 31.577 31.700 -0.001 0.000 0.788 94 D N 0.197 120.689 120.400 0.154 0.000 2.104 94 D HA -0.149 4.490 4.640 -0.002 0.000 0.194 94 D C 2.128 178.563 176.300 0.224 0.000 0.994 94 D CA 1.847 55.949 54.000 0.170 0.000 0.830 94 D CB -0.829 40.076 40.800 0.175 0.000 0.959 94 D HN 0.119 nan 8.370 nan 0.000 0.452 95 A N 0.443 123.452 122.820 0.315 0.000 1.898 95 A HA -0.148 4.171 4.320 -0.002 0.000 0.216 95 A C 2.157 179.921 177.584 0.301 0.000 1.181 95 A CA 1.611 53.836 52.037 0.314 0.000 0.620 95 A CB -0.453 18.864 19.000 0.530 0.000 0.819 95 A HN 0.142 nan 8.150 nan 0.000 0.442 96 M N -0.044 119.745 119.600 0.315 0.000 2.132 96 M HA -0.046 4.433 4.480 -0.002 0.000 0.263 96 M C 1.820 178.244 176.300 0.207 0.000 1.065 96 M CA 1.713 57.188 55.300 0.292 0.000 1.122 96 M CB -0.384 32.291 32.600 0.125 0.000 1.365 96 M HN 0.367 nan 8.290 nan 0.000 0.411 97 K N -0.433 120.055 120.400 0.146 0.000 2.063 97 K HA -0.126 4.193 4.320 -0.002 0.000 0.208 97 K C 1.978 178.650 176.600 0.120 0.000 1.048 97 K CA 1.540 57.895 56.287 0.113 0.000 0.928 97 K CB -0.499 32.054 32.500 0.088 0.000 0.713 97 K HN 0.438 nan 8.250 nan 0.000 0.442 98 A N 1.461 124.362 122.820 0.134 0.000 1.902 98 A HA -0.097 4.222 4.320 -0.002 0.000 0.217 98 A C 2.383 180.010 177.584 0.072 0.000 1.181 98 A CA 1.762 53.865 52.037 0.111 0.000 0.623 98 A CB -0.691 18.411 19.000 0.170 0.000 0.818 98 A HN 0.335 nan 8.150 nan 0.000 0.443 99 A N 0.009 122.909 122.820 0.135 0.000 1.902 99 A HA -0.085 4.234 4.320 -0.002 0.000 0.217 99 A C 2.120 179.832 177.584 0.213 0.000 1.181 99 A CA 1.506 53.692 52.037 0.248 0.000 0.623 99 A CB -0.583 18.765 19.000 0.581 0.000 0.818 99 A HN 0.504 nan 8.150 nan 0.000 0.443 100 I N -0.495 120.181 120.570 0.177 0.000 2.179 100 I HA -0.219 3.950 4.170 -0.002 0.000 0.242 100 I C 2.378 178.547 176.117 0.086 0.000 1.088 100 I CA 1.188 62.564 61.300 0.127 0.000 1.357 100 I CB -0.479 37.583 38.000 0.103 0.000 1.051 100 I HN 0.153 nan 8.210 nan 0.000 0.409 101 V N 0.960 120.918 119.914 0.072 0.000 2.282 101 V HA -0.314 3.805 4.120 -0.002 0.000 0.249 101 V C 2.467 178.580 176.094 0.031 0.000 1.057 101 V CA 1.975 64.304 62.300 0.048 0.000 1.032 101 V CB -0.641 31.211 31.823 0.047 0.000 0.645 101 V HN 0.367 nan 8.190 nan 0.000 0.447 102 L N 0.060 121.294 121.223 0.018 0.000 2.017 102 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 102 L C 2.496 179.364 176.870 -0.004 0.000 1.073 102 L CA 1.961 56.786 54.840 -0.026 0.000 0.745 102 L CB -0.858 41.138 42.059 -0.107 0.000 0.894 102 L HN 0.289 nan 8.230 nan 0.000 0.432 103 E N 0.066 120.297 120.200 0.052 0.000 2.072 103 E HA -0.212 4.137 4.350 -0.002 0.000 0.191 103 E C 2.198 178.826 176.600 0.046 0.000 0.985 103 E CA 1.156 57.594 56.400 0.063 0.000 0.801 103 E CB -0.221 29.545 29.700 0.110 0.000 0.750 103 E HN 0.552 nan 8.360 nan 0.000 0.452 104 K N 0.850 121.278 120.400 0.047 0.000 2.152 104 K HA -0.103 4.216 4.320 -0.002 0.000 0.206 104 K C 2.334 178.953 176.600 0.032 0.000 1.048 104 K CA 1.476 57.787 56.287 0.040 0.000 0.933 104 K CB -0.137 32.386 32.500 0.037 0.000 0.721 104 K HN 0.097 nan 8.250 nan 0.000 0.447 105 S N 0.996 116.708 115.700 0.020 0.000 2.387 105 S HA -0.058 4.411 4.470 -0.002 0.000 0.226 105 S C 2.025 176.634 174.600 0.015 0.000 1.026 105 S CA 0.571 58.779 58.200 0.015 0.000 0.972 105 S CB -0.414 62.789 63.200 0.005 0.000 0.814 105 S HN 0.172 nan 8.310 nan 0.000 0.477 106 L N 1.656 122.874 121.223 -0.007 0.000 2.017 106 L HA -0.097 4.242 4.340 -0.002 0.000 0.208 106 L C 2.923 179.839 176.870 0.077 0.000 1.073 106 L CA 1.675 56.510 54.840 -0.009 0.000 0.745 106 L CB -0.897 41.076 42.059 -0.144 0.000 0.894 106 L HN 0.363 nan 8.230 nan 0.000 0.432 107 N N -0.045 118.700 118.700 0.074 0.000 2.104 107 N HA -0.262 4.477 4.740 -0.002 0.000 0.190 107 N C 1.869 177.424 175.510 0.074 0.000 1.024 107 N CA 1.455 54.559 53.050 0.091 0.000 0.853 107 N CB -0.059 38.471 38.487 0.071 0.000 1.008 107 N HN 0.182 nan 8.380 nan 0.000 0.424 108 Q N 0.060 119.893 119.800 0.055 0.000 2.119 108 Q HA 0.113 4.452 4.340 -0.002 0.000 0.201 108 Q C 1.848 177.881 176.000 0.055 0.000 0.972 108 Q CA 1.799 57.630 55.803 0.047 0.000 0.847 108 Q CB -0.666 28.093 28.738 0.035 0.000 0.903 108 Q HN 0.410 nan 8.270 nan 0.000 0.433 109 A N 0.020 122.878 122.820 0.063 0.000 1.933 109 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 109 A C 2.073 179.707 177.584 0.084 0.000 1.175 109 A CA 1.415 53.495 52.037 0.071 0.000 0.628 109 A CB -0.722 18.327 19.000 0.082 0.000 0.814 109 A HN 0.453 nan 8.150 nan 0.000 0.444 110 L N -0.763 120.523 121.223 0.106 0.000 2.056 110 L HA -0.159 4.180 4.340 -0.002 0.000 0.207 110 L C 2.559 179.494 176.870 0.109 0.000 1.078 110 L CA 1.005 55.908 54.840 0.105 0.000 0.749 110 L CB -0.532 41.612 42.059 0.141 0.000 0.901 110 L HN 0.370 nan 8.230 nan 0.000 0.433 111 L N -0.479 120.795 121.223 0.085 0.000 2.046 111 L HA -0.233 4.106 4.340 -0.002 0.000 0.208 111 L C 2.290 179.214 176.870 0.090 0.000 1.077 111 L CA 1.126 56.006 54.840 0.066 0.000 0.747 111 L CB -0.710 41.368 42.059 0.031 0.000 0.896 111 L HN 0.300 nan 8.230 nan 0.000 0.432 112 D N 0.093 120.536 120.400 0.072 0.000 2.117 112 D HA -0.192 4.447 4.640 -0.002 0.000 0.197 112 D C 2.079 178.420 176.300 0.069 0.000 0.987 112 D CA 1.094 55.132 54.000 0.063 0.000 0.829 112 D CB -0.204 40.622 40.800 0.044 0.000 0.961 112 D HN 0.149 nan 8.370 nan 0.000 0.460 113 L N 0.545 121.811 121.223 0.072 0.000 2.093 113 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 113 L C 2.179 179.094 176.870 0.074 0.000 1.085 113 L CA 1.681 56.553 54.840 0.054 0.000 0.755 113 L CB -0.581 41.501 42.059 0.038 0.000 0.904 113 L HN 0.126 nan 8.230 nan 0.000 0.435 114 H N -0.222 118.865 119.070 0.028 0.000 2.326 114 H HA -0.081 4.474 4.556 -0.002 0.000 0.301 114 H C 1.975 177.319 175.328 0.027 0.000 1.081 114 H CA 1.556 57.625 56.048 0.036 0.000 1.334 114 H CB 0.083 29.869 29.762 0.040 0.000 1.385 114 H HN 0.433 nan 8.280 nan 0.000 0.504 115 A N 1.386 124.341 122.820 0.225 0.000 1.908 115 A HA -0.171 4.148 4.320 -0.002 0.000 0.218 115 A C 2.617 180.231 177.584 0.049 0.000 1.181 115 A CA 1.634 53.756 52.037 0.141 0.000 0.627 115 A CB -0.997 18.062 19.000 0.098 0.000 0.818 115 A HN 0.431 nan 8.150 nan 0.000 0.445 116 L N 0.096 121.334 121.223 0.026 0.000 2.012 116 L HA -0.067 4.272 4.340 -0.002 0.000 0.210 116 L C 2.450 179.298 176.870 -0.038 0.000 1.073 116 L CA 2.503 57.337 54.840 -0.010 0.000 0.748 116 L CB -1.125 40.922 42.059 -0.019 0.000 0.891 116 L HN 0.311 nan 8.230 nan 0.000 0.431 117 G N -1.942 106.821 108.800 -0.061 0.000 2.442 117 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.219 117 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.219 117 G C 1.721 176.569 174.900 -0.087 0.000 1.141 117 G CA 0.983 46.033 45.100 -0.084 0.000 0.763 117 G HN 0.491 nan 8.290 nan 0.000 0.554 118 S N 0.705 116.342 115.700 -0.105 0.000 2.355 118 S HA 0.058 4.527 4.470 -0.002 0.000 0.222 118 S C 2.740 177.330 174.600 -0.017 0.000 1.031 118 S CA 1.565 59.731 58.200 -0.057 0.000 0.993 118 S CB -0.468 62.727 63.200 -0.009 0.000 0.859 118 S HN 0.541 nan 8.310 nan 0.000 0.453 119 A N 0.700 123.514 122.820 -0.009 0.000 2.019 119 A HA -0.036 4.283 4.320 -0.002 0.000 0.219 119 A C 1.990 179.565 177.584 -0.015 0.000 1.164 119 A CA 1.203 53.236 52.037 -0.006 0.000 0.644 119 A CB -0.366 18.632 19.000 -0.004 0.000 0.805 119 A HN 0.601 nan 8.150 nan 0.000 0.449 120 Q N -1.360 118.425 119.800 -0.025 0.000 2.246 120 Q HA 0.382 4.721 4.340 -0.002 0.000 0.202 120 Q C 0.550 176.539 176.000 -0.017 0.000 0.883 120 Q CA 0.512 56.298 55.803 -0.028 0.000 0.952 120 Q CB -0.127 28.583 28.738 -0.047 0.000 1.078 120 Q HN 0.861 nan 8.270 nan 0.000 0.493 121 A N 2.392 125.204 122.820 -0.013 0.000 2.466 121 A HA -0.186 4.133 4.320 -0.002 0.000 0.295 121 A C -0.183 177.404 177.584 0.006 0.000 1.465 121 A CA 1.011 53.046 52.037 -0.003 0.000 0.744 121 A CB -1.540 17.461 19.000 0.003 0.000 1.098 121 A HN 0.274 nan 8.150 nan 0.000 0.402 122 D N 0.302 120.702 120.400 0.001 0.000 2.483 122 D HA 0.369 5.008 4.640 -0.002 0.000 0.281 122 D C -0.856 175.465 176.300 0.035 0.000 1.174 122 D CA -1.496 52.524 54.000 0.034 0.000 0.938 122 D CB 0.757 41.580 40.800 0.039 0.000 1.002 122 D HN 0.284 nan 8.370 nan 0.000 0.501 123 P HA -0.149 nan 4.420 nan 0.000 0.223 123 P C 1.380 178.720 177.300 0.066 0.000 1.151 123 P CA 0.646 63.768 63.100 0.036 0.000 0.787 123 P CB 0.267 31.992 31.700 0.043 0.000 0.788 124 H N 0.631 119.721 119.070 0.035 0.000 2.321 124 H HA -0.102 4.453 4.556 -0.002 0.000 0.300 124 H C 1.908 177.293 175.328 0.095 0.000 1.087 124 H CA 1.208 57.290 56.048 0.057 0.000 1.319 124 H CB -0.566 29.213 29.762 0.029 0.000 1.379 124 H HN -0.042 nan 8.280 nan 0.000 0.501 125 L N 0.777 122.113 121.223 0.189 0.000 2.012 125 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 125 L C 2.840 179.767 176.870 0.096 0.000 1.073 125 L CA 1.817 56.749 54.840 0.154 0.000 0.748 125 L CB -1.105 41.025 42.059 0.117 0.000 0.891 125 L HN 0.334 nan 8.230 nan 0.000 0.431 126 C N -0.370 118.912 119.300 -0.029 0.000 2.432 126 C HA -0.160 4.299 4.460 -0.002 0.000 0.277 126 C C 2.503 177.527 174.990 0.058 0.000 1.249 126 C CA 1.021 59.964 59.018 -0.125 0.000 1.725 126 C CB -1.146 26.411 27.740 -0.305 0.000 2.028 126 C HN 0.705 nan 8.230 nan 0.000 0.477 127 D N -0.235 120.179 120.400 0.023 0.000 2.117 127 D HA -0.172 4.467 4.640 -0.002 0.000 0.197 127 D C 1.850 178.155 176.300 0.009 0.000 0.987 127 D CA 1.045 55.047 54.000 0.004 0.000 0.829 127 D CB -0.339 40.431 40.800 -0.050 0.000 0.961 127 D HN 0.465 nan 8.370 nan 0.000 0.460 128 F N 0.735 120.613 119.950 -0.120 0.000 2.091 128 F HA -0.152 4.374 4.527 -0.002 0.000 0.299 128 F C 1.917 177.826 175.800 0.182 0.000 1.103 128 F CA 1.456 59.464 58.000 0.014 0.000 1.228 128 F CB -0.287 38.717 39.000 0.007 0.000 0.984 128 F HN 0.005 nan 8.300 nan 0.000 0.477 129 L N -0.169 121.192 121.223 0.229 0.000 2.141 129 L HA -0.163 4.176 4.340 -0.002 0.000 0.209 129 L C 2.336 179.302 176.870 0.160 0.000 1.094 129 L CA 1.475 56.440 54.840 0.209 0.000 0.763 129 L CB -0.714 41.484 42.059 0.233 0.000 0.908 129 L HN 0.198 nan 8.230 nan 0.000 0.437 130 E N -0.377 119.884 120.200 0.101 0.000 2.072 130 E HA -0.139 4.210 4.350 -0.002 0.000 0.190 130 E C 2.327 178.877 176.600 -0.084 0.000 0.982 130 E CA 1.367 57.788 56.400 0.034 0.000 0.803 130 E CB 0.017 29.748 29.700 0.053 0.000 0.755 130 E HN 0.327 nan 8.360 nan 0.000 0.453 131 S N -0.029 115.541 115.700 -0.216 0.000 2.383 131 S HA -0.087 4.382 4.470 -0.002 0.000 0.227 131 S C 1.512 175.740 174.600 -0.621 0.000 1.026 131 S CA 0.871 58.798 58.200 -0.454 0.000 0.981 131 S CB -0.084 62.726 63.200 -0.649 0.000 0.818 131 S HN 0.349 nan 8.310 nan 0.000 0.472 132 H N -1.709 117.200 119.070 -0.269 0.000 2.874 132 H HA 0.348 4.903 4.556 -0.002 0.000 0.264 132 H C 0.652 175.546 175.328 -0.724 0.000 1.007 132 H CA 0.224 55.958 56.048 -0.524 0.000 1.207 132 H CB 0.286 29.569 29.762 -0.799 0.000 1.487 132 H HN 0.404 nan 8.280 nan 0.000 0.505 133 F N -0.483 119.420 119.950 -0.077 0.000 2.496 133 F HA 0.150 4.676 4.527 -0.001 0.000 0.274 133 F C 2.193 178.007 175.800 0.024 0.000 0.924 133 F CA -0.046 57.951 58.000 -0.004 0.000 1.147 133 F CB -0.029 38.970 39.000 -0.002 0.000 0.969 133 F HN -0.135 nan 8.300 nan 0.000 0.749 134 L N 0.238 121.573 121.223 0.185 0.000 2.017 134 L HA -0.200 4.139 4.340 -0.002 0.000 0.208 134 L C 1.920 178.821 176.870 0.052 0.000 1.073 134 L CA 1.932 56.836 54.840 0.107 0.000 0.745 134 L CB -0.521 41.571 42.059 0.056 0.000 0.894 134 L HN 0.156 nan 8.230 nan 0.000 0.432 135 D N -0.103 120.305 120.400 0.014 0.000 2.149 135 D HA -0.164 4.475 4.640 -0.002 0.000 0.201 135 D C 2.120 178.418 176.300 -0.003 0.000 0.972 135 D CA 0.898 54.894 54.000 -0.007 0.000 0.835 135 D CB 0.167 40.948 40.800 -0.032 0.000 0.966 135 D HN 0.203 nan 8.370 nan 0.000 0.476 136 E N -0.014 120.180 120.200 -0.009 0.000 2.085 136 E HA -0.195 4.154 4.350 -0.002 0.000 0.194 136 E C 1.922 178.540 176.600 0.030 0.000 0.994 136 E CA 0.889 57.283 56.400 -0.009 0.000 0.801 136 E CB 0.060 29.737 29.700 -0.039 0.000 0.743 136 E HN 0.318 nan 8.360 nan 0.000 0.453 137 E N 0.292 120.536 120.200 0.073 0.000 2.047 137 E HA -0.127 4.222 4.350 -0.002 0.000 0.191 137 E C 2.306 178.937 176.600 0.052 0.000 0.987 137 E CA 0.498 56.949 56.400 0.085 0.000 0.799 137 E CB -0.359 29.415 29.700 0.124 0.000 0.752 137 E HN 0.092 nan 8.360 nan 0.000 0.449 138 V N 1.683 121.620 119.914 0.037 0.000 2.287 138 V HA -0.283 3.836 4.120 -0.002 0.000 0.248 138 V C 2.263 178.363 176.094 0.010 0.000 1.053 138 V CA 1.967 64.280 62.300 0.020 0.000 1.027 138 V CB -0.333 31.495 31.823 0.009 0.000 0.646 138 V HN 0.250 nan 8.190 nan 0.000 0.447 139 K N -0.605 119.797 120.400 0.003 0.000 2.097 139 K HA -0.157 4.162 4.320 -0.002 0.000 0.205 139 K C 2.062 178.656 176.600 -0.009 0.000 1.050 139 K CA 1.301 57.583 56.287 -0.009 0.000 0.938 139 K CB -0.337 32.153 32.500 -0.017 0.000 0.718 139 K HN 0.276 nan 8.250 nan 0.000 0.442 140 L N 1.520 122.746 121.223 0.004 0.000 2.056 140 L HA -0.094 4.245 4.340 -0.002 0.000 0.207 140 L C 1.902 178.790 176.870 0.029 0.000 1.078 140 L CA 1.496 56.343 54.840 0.012 0.000 0.749 140 L CB -0.178 41.891 42.059 0.017 0.000 0.901 140 L HN 0.113 nan 8.230 nan 0.000 0.433 141 I N -0.592 120.000 120.570 0.036 0.000 2.315 141 I HA -0.264 3.905 4.170 -0.002 0.000 0.248 141 I C 2.440 178.566 176.117 0.015 0.000 1.117 141 I CA 1.100 62.425 61.300 0.041 0.000 1.404 141 I CB -0.382 37.645 38.000 0.044 0.000 1.071 141 I HN 0.246 nan 8.210 nan 0.000 0.419 142 K N 1.893 122.291 120.400 -0.003 0.000 2.009 142 K HA -0.232 4.087 4.320 -0.002 0.000 0.210 142 K C 2.098 178.663 176.600 -0.059 0.000 1.049 142 K CA 1.741 58.014 56.287 -0.022 0.000 0.929 142 K CB -0.336 32.150 32.500 -0.023 0.000 0.714 142 K HN 0.067 nan 8.250 nan 0.000 0.440 143 K N 0.013 120.361 120.400 -0.086 0.000 2.032 143 K HA -0.156 4.163 4.320 -0.002 0.000 0.209 143 K C 2.131 178.541 176.600 -0.317 0.000 1.048 143 K CA 1.981 58.142 56.287 -0.211 0.000 0.927 143 K CB -0.168 32.237 32.500 -0.159 0.000 0.712 143 K HN 0.240 nan 8.250 nan 0.000 0.441 144 M N -0.161 119.382 119.600 -0.094 0.000 2.117 144 M HA -0.110 4.369 4.480 -0.002 0.000 0.262 144 M C 2.313 178.615 176.300 0.004 0.000 1.065 144 M CA 1.723 57.032 55.300 0.015 0.000 1.114 144 M CB -0.632 32.052 32.600 0.140 0.000 1.361 144 M HN 0.354 nan 8.290 nan 0.000 0.408 145 G N 0.632 109.427 108.800 -0.008 0.000 2.491 145 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.218 145 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.218 145 G C 1.025 175.918 174.900 -0.013 0.000 1.180 145 G CA 1.481 46.579 45.100 -0.003 0.000 0.774 145 G HN 0.362 nan 8.290 nan 0.000 0.562 146 D N -0.173 120.199 120.400 -0.047 0.000 2.144 146 D HA -0.063 4.576 4.640 -0.002 0.000 0.199 146 D C 2.243 178.588 176.300 0.074 0.000 0.984 146 D CA 0.860 54.850 54.000 -0.017 0.000 0.834 146 D CB -0.335 40.430 40.800 -0.059 0.000 0.955 146 D HN 0.299 nan 8.370 nan 0.000 0.465 147 H N 0.388 119.465 119.070 0.011 0.000 2.326 147 H HA 0.032 4.586 4.556 -0.002 0.000 0.301 147 H C 2.383 177.582 175.328 -0.215 0.000 1.081 147 H CA 0.335 56.382 56.048 -0.002 0.000 1.334 147 H CB -0.724 29.027 29.762 -0.019 0.000 1.385 147 H HN 0.109 nan 8.280 nan 0.000 0.504 148 L N 0.219 121.438 121.223 -0.007 0.000 2.013 148 L HA -0.238 4.101 4.340 -0.002 0.000 0.212 148 L C 2.263 179.077 176.870 -0.093 0.000 1.073 148 L CA 1.874 56.666 54.840 -0.080 0.000 0.753 148 L CB -0.510 41.539 42.059 -0.017 0.000 0.890 148 L HN 0.300 nan 8.230 nan 0.000 0.432 149 T N -0.302 114.229 114.554 -0.038 0.000 2.699 149 T HA -0.203 4.146 4.350 -0.002 0.000 0.268 149 T C 1.666 176.341 174.700 -0.042 0.000 1.036 149 T CA 1.639 63.722 62.100 -0.028 0.000 1.147 149 T CB -0.254 68.614 68.868 -0.001 0.000 0.862 149 T HN 0.391 nan 8.240 nan 0.000 0.446 150 N N 0.683 119.362 118.700 -0.034 0.000 2.171 150 N HA 0.038 4.778 4.740 -0.002 0.000 0.184 150 N C 1.992 177.402 175.510 -0.167 0.000 1.021 150 N CA 0.968 54.011 53.050 -0.012 0.000 0.854 150 N CB -0.245 38.356 38.487 0.191 0.000 0.994 150 N HN 0.367 nan 8.380 nan 0.000 0.426 151 I N 1.868 122.150 120.570 -0.480 0.000 2.163 151 I HA -0.300 3.869 4.170 -0.002 0.000 0.243 151 I C 2.366 178.356 176.117 -0.212 0.000 1.085 151 I CA 1.313 62.302 61.300 -0.519 0.000 1.347 151 I CB -0.244 37.373 38.000 -0.638 0.000 1.044 151 I HN 0.136 nan 8.210 nan 0.000 0.408 152 Q N 0.010 119.722 119.800 -0.148 0.000 2.119 152 Q HA -0.214 4.125 4.340 -0.002 0.000 0.201 152 Q C 2.331 178.304 176.000 -0.045 0.000 0.972 152 Q CA 1.193 56.951 55.803 -0.074 0.000 0.847 152 Q CB -0.209 28.498 28.738 -0.051 0.000 0.903 152 Q HN 0.376 nan 8.270 nan 0.000 0.433 153 R N 0.392 120.868 120.500 -0.039 0.000 2.120 153 R HA -0.108 4.231 4.340 -0.002 0.000 0.234 153 R C 1.791 178.087 176.300 -0.006 0.000 1.123 153 R CA 0.998 57.089 56.100 -0.014 0.000 0.975 153 R CB 0.070 30.369 30.300 -0.001 0.000 0.866 153 R HN 0.227 nan 8.270 nan 0.000 0.446 154 L N -0.677 120.538 121.223 -0.014 0.000 2.253 154 L HA 0.011 4.350 4.340 -0.002 0.000 0.205 154 L C 1.976 178.850 176.870 0.008 0.000 1.078 154 L CA 0.246 55.090 54.840 0.008 0.000 0.805 154 L CB 0.280 42.353 42.059 0.023 0.000 0.963 154 L HN 0.118 nan 8.230 nan 0.000 0.459 155 V N -4.006 115.901 119.914 -0.011 0.000 3.541 155 V HA 0.208 4.327 4.120 -0.002 0.000 0.267 155 V C 1.989 178.086 176.094 0.004 0.000 1.213 155 V CA 0.996 63.297 62.300 0.001 0.000 1.149 155 V CB -0.772 31.047 31.823 -0.007 0.000 0.822 155 V HN 0.285 nan 8.190 nan 0.000 0.462 156 G N 0.893 109.692 108.800 -0.001 0.000 2.414 156 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.215 156 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.215 156 G C 1.645 176.550 174.900 0.008 0.000 1.188 156 G CA 1.120 46.222 45.100 0.003 0.000 0.783 156 G HN 0.514 nan 8.290 nan 0.000 0.537 157 S N -0.752 114.954 115.700 0.010 0.000 2.365 157 S HA -0.019 4.450 4.470 -0.002 0.000 0.225 157 S C 0.865 175.474 174.600 0.016 0.000 1.039 157 S CA 1.164 59.372 58.200 0.014 0.000 1.033 157 S CB -0.057 63.154 63.200 0.017 0.000 0.887 157 S HN 0.379 nan 8.310 nan 0.000 0.447 158 Q N -2.547 117.265 119.800 0.021 0.000 2.638 158 Q HA 0.344 4.683 4.340 -0.002 0.000 0.227 158 Q C -0.031 175.988 176.000 0.032 0.000 0.842 158 Q CA 0.133 55.950 55.803 0.023 0.000 1.095 158 Q CB 1.044 29.796 28.738 0.024 0.000 1.595 158 Q HN 0.198 nan 8.270 nan 0.000 0.511 159 A N 2.060 124.898 122.820 0.031 0.000 1.855 159 A HA 0.021 4.340 4.320 -0.002 0.000 0.215 159 A C 1.618 179.236 177.584 0.056 0.000 1.191 159 A CA 2.216 54.277 52.037 0.039 0.000 0.613 159 A CB -0.544 18.478 19.000 0.037 0.000 0.829 159 A HN 0.750 nan 8.150 nan 0.000 0.442 160 G N -0.304 108.528 108.800 0.053 0.000 2.404 160 G HA2 -0.114 3.845 3.960 -0.002 0.000 0.215 160 G HA3 -0.114 3.845 3.960 -0.002 0.000 0.215 160 G C 1.531 176.484 174.900 0.088 0.000 1.174 160 G CA 1.144 46.283 45.100 0.065 0.000 0.780 160 G HN 0.437 nan 8.290 nan 0.000 0.537 161 L N 1.459 122.723 121.223 0.069 0.000 1.989 161 L HA 0.058 4.397 4.340 -0.002 0.000 0.211 161 L C 2.885 179.839 176.870 0.140 0.000 1.071 161 L CA 2.537 57.436 54.840 0.098 0.000 0.749 161 L CB -0.930 41.166 42.059 0.062 0.000 0.890 161 L HN 0.188 nan 8.230 nan 0.000 0.431 162 G N -1.488 107.371 108.800 0.098 0.000 2.440 162 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.218 162 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.218 162 G C 1.499 176.469 174.900 0.117 0.000 1.154 162 G CA 0.906 46.060 45.100 0.091 0.000 0.767 162 G HN 0.528 nan 8.290 nan 0.000 0.552 163 E N -0.797 119.475 120.200 0.119 0.000 2.077 163 E HA -0.179 4.170 4.350 -0.002 0.000 0.193 163 E C 2.049 178.753 176.600 0.174 0.000 0.989 163 E CA 0.910 57.392 56.400 0.137 0.000 0.800 163 E CB -0.363 29.418 29.700 0.134 0.000 0.746 163 E HN 0.509 nan 8.360 nan 0.000 0.452 164 Y N 0.802 121.136 120.300 0.057 0.000 2.145 164 Y HA -0.195 4.354 4.550 -0.001 0.000 0.286 164 Y C 1.824 177.736 175.900 0.020 0.000 1.145 164 Y CA 1.797 59.916 58.100 0.033 0.000 1.148 164 Y CB -0.256 38.216 38.460 0.021 0.000 0.981 164 Y HN 0.050 nan 8.280 nan 0.000 0.507 165 L N -1.281 119.971 121.223 0.047 0.000 2.083 165 L HA -0.202 4.137 4.340 -0.002 0.000 0.209 165 L C 2.313 179.124 176.870 -0.100 0.000 1.083 165 L CA 1.394 56.192 54.840 -0.069 0.000 0.752 165 L CB -0.663 41.431 42.059 0.057 0.000 0.899 165 L HN 0.289 nan 8.230 nan 0.000 0.433 166 F N 0.832 120.696 119.950 -0.143 0.000 2.113 166 F HA -0.225 4.301 4.527 -0.001 0.000 0.297 166 F C 2.670 178.321 175.800 -0.249 0.000 1.103 166 F CA 1.723 59.614 58.000 -0.182 0.000 1.248 166 F CB -0.138 38.762 39.000 -0.167 0.000 0.999 166 F HN 0.057 nan 8.300 nan 0.000 0.475 167 E N 0.471 120.551 120.200 -0.200 0.000 2.077 167 E HA -0.206 4.143 4.350 -0.002 0.000 0.193 167 E C 2.319 178.687 176.600 -0.386 0.000 0.989 167 E CA 1.028 57.246 56.400 -0.304 0.000 0.800 167 E CB -0.112 29.488 29.700 -0.166 0.000 0.746 167 E HN 0.293 nan 8.360 nan 0.000 0.452 168 R N -0.031 120.211 120.500 -0.429 0.000 2.066 168 R HA -0.003 4.336 4.340 -0.002 0.000 0.232 168 R C 2.506 178.614 176.300 -0.320 0.000 1.131 168 R CA 0.873 56.726 56.100 -0.411 0.000 0.955 168 R CB -0.447 29.517 30.300 -0.559 0.000 0.851 168 R HN 0.299 nan 8.270 nan 0.000 0.432 169 L N -0.871 120.157 121.223 -0.325 0.000 2.515 169 L HA 0.102 4.441 4.340 -0.002 0.000 0.223 169 L C 1.664 178.347 176.870 -0.312 0.000 1.079 169 L CA 0.470 55.157 54.840 -0.256 0.000 0.857 169 L CB 0.216 42.168 42.059 -0.178 0.000 1.050 169 L HN 0.081 nan 8.230 nan 0.000 0.476 170 T N -0.331 113.910 114.554 -0.522 0.000 3.045 170 T HA 0.248 4.597 4.350 -0.002 0.000 0.239 170 T C 0.935 175.291 174.700 -0.572 0.000 1.008 170 T CA 0.199 61.931 62.100 -0.614 0.000 1.143 170 T CB 0.306 68.556 68.868 -1.030 0.000 0.894 170 T HN -0.081 nan 8.240 nan 0.000 0.451 171 L N 0.000 120.812 121.223 -0.685 0.000 2.949 171 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 171 L CA 0.000 54.551 54.840 -0.482 0.000 0.813 171 L CB 0.000 41.741 42.059 -0.531 0.000 0.961 171 L HN 0.000 nan 8.230 nan 0.000 0.502