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 1jog_1_C DATA FIRST_RESID 7 DATA SEQUENCE NLNVLDAAFY SLEQTVVQIS DRNWFDXQPS IVQDTLIAGA IQKFEFVYEL DATA SEQUENCE SLKXXKRQLQ QDAINTDDIG AYGFKDILRE ALRFGLIGDX SKWVAYRDXR DATA SEQUENCE NITSHTYDQE KAXAVYAQID DFLIESSFLL EQLRQ 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.522 175.510 0.021 0.000 1.280 7 N CA 0.000 53.060 53.050 0.016 0.000 0.885 7 N CB 0.000 38.495 38.487 0.013 0.000 1.341 8 L N 1.534 122.764 121.223 0.013 0.000 2.313 8 L HA 0.357 4.698 4.340 0.001 0.000 0.214 8 L C 1.129 178.011 176.870 0.020 0.000 1.119 8 L CA 1.578 56.424 54.840 0.010 0.000 0.809 8 L CB -0.756 41.301 42.059 -0.004 0.000 0.933 8 L HN 0.260 nan 8.230 nan 0.000 0.449 9 N N -0.408 118.304 118.700 0.020 0.000 2.142 9 N HA -0.139 4.601 4.740 0.001 0.000 0.186 9 N C 1.802 177.339 175.510 0.045 0.000 1.023 9 N CA 1.649 54.715 53.050 0.027 0.000 0.852 9 N CB -0.109 38.389 38.487 0.018 0.000 0.998 9 N HN 0.318 nan 8.380 nan 0.000 0.424 10 V N 1.953 121.892 119.914 0.042 0.000 2.358 10 V HA -0.179 3.942 4.120 0.001 0.000 0.246 10 V C 2.429 178.573 176.094 0.082 0.000 1.047 10 V CA 0.978 63.306 62.300 0.047 0.000 1.035 10 V CB -0.427 31.413 31.823 0.028 0.000 0.658 10 V HN 0.188 nan 8.190 nan 0.000 0.452 11 L N 0.196 121.472 121.223 0.088 0.000 2.012 11 L HA -0.202 4.139 4.340 0.001 0.000 0.210 11 L C 2.134 179.112 176.870 0.180 0.000 1.073 11 L CA 2.173 57.092 54.840 0.132 0.000 0.748 11 L CB -0.967 41.152 42.059 0.099 0.000 0.891 11 L HN 0.320 nan 8.230 nan 0.000 0.431 12 D N 0.088 120.569 120.400 0.134 0.000 2.156 12 D HA -0.273 4.367 4.640 0.001 0.000 0.190 12 D C 2.126 178.581 176.300 0.258 0.000 0.998 12 D CA 2.074 56.173 54.000 0.165 0.000 0.842 12 D CB -0.415 40.433 40.800 0.081 0.000 0.974 12 D HN 0.517 nan 8.370 nan 0.000 0.447 13 A N 1.113 124.048 122.820 0.191 0.000 1.908 13 A HA -0.142 4.178 4.320 0.001 0.000 0.218 13 A C 2.329 180.029 177.584 0.192 0.000 1.181 13 A CA 2.924 55.086 52.037 0.208 0.000 0.627 13 A CB -0.875 18.195 19.000 0.118 0.000 0.818 13 A HN 0.297 nan 8.150 nan 0.000 0.445 14 A N -0.734 122.183 122.820 0.162 0.000 1.841 14 A HA -0.114 4.207 4.320 0.001 0.000 0.216 14 A C 2.113 179.822 177.584 0.209 0.000 1.199 14 A CA 1.815 53.942 52.037 0.150 0.000 0.621 14 A CB -0.992 18.105 19.000 0.161 0.000 0.835 14 A HN 0.984 nan 8.150 nan 0.000 0.445 15 F N -0.934 119.118 119.950 0.171 0.000 2.161 15 F HA -0.234 4.294 4.527 0.001 0.000 0.300 15 F C 2.105 178.034 175.800 0.215 0.000 1.089 15 F CA 1.905 60.016 58.000 0.184 0.000 1.282 15 F CB -0.456 38.633 39.000 0.149 0.000 1.010 15 F HN 0.419 nan 8.300 nan 0.000 0.485 16 Y N -0.318 119.936 120.300 -0.076 0.000 2.200 16 Y HA -0.223 4.327 4.550 0.001 0.000 0.290 16 Y C 2.846 178.640 175.900 -0.175 0.000 1.137 16 Y CA 1.155 59.157 58.100 -0.164 0.000 1.163 16 Y CB -0.409 38.080 38.460 0.048 0.000 0.988 16 Y HN 0.210 nan 8.280 nan 0.000 0.518 17 S N 0.311 115.921 115.700 -0.149 0.000 2.383 17 S HA -0.165 4.305 4.470 0.001 0.000 0.227 17 S C 1.959 176.466 174.600 -0.154 0.000 1.026 17 S CA 0.979 59.056 58.200 -0.205 0.000 0.981 17 S CB -0.565 62.587 63.200 -0.080 0.000 0.818 17 S HN 0.565 nan 8.310 nan 0.000 0.472 18 L N 1.183 122.347 121.223 -0.098 0.000 2.083 18 L HA -0.083 4.258 4.340 0.001 0.000 0.209 18 L C 2.410 179.182 176.870 -0.164 0.000 1.083 18 L CA 2.069 56.873 54.840 -0.059 0.000 0.752 18 L CB -0.705 41.372 42.059 0.030 0.000 0.899 18 L HN 0.498 nan 8.230 nan 0.000 0.433 19 E N -0.903 119.092 120.200 -0.341 0.000 2.047 19 E HA -0.250 4.100 4.350 0.001 0.000 0.191 19 E C 2.113 178.606 176.600 -0.179 0.000 0.987 19 E CA 0.859 57.084 56.400 -0.292 0.000 0.799 19 E CB 0.146 29.616 29.700 -0.383 0.000 0.752 19 E HN 0.420 nan 8.360 nan 0.000 0.449 20 Q N 0.009 119.663 119.800 -0.244 0.000 2.133 20 Q HA -0.178 4.163 4.340 0.001 0.000 0.208 20 Q C 2.265 178.187 176.000 -0.131 0.000 0.991 20 Q CA 1.921 57.594 55.803 -0.216 0.000 0.867 20 Q CB -0.806 27.726 28.738 -0.343 0.000 0.911 20 Q HN 0.310 nan 8.270 nan 0.000 0.417 21 T N 0.742 115.237 114.554 -0.099 0.000 2.746 21 T HA -0.073 4.278 4.350 0.001 0.000 0.267 21 T C 2.056 176.765 174.700 0.015 0.000 1.039 21 T CA 1.274 63.360 62.100 -0.023 0.000 1.142 21 T CB -0.120 68.763 68.868 0.024 0.000 0.866 21 T HN 0.066 nan 8.240 nan 0.000 0.444 22 V N 1.182 121.097 119.914 0.003 0.000 2.358 22 V HA -0.134 3.986 4.120 0.001 0.000 0.246 22 V C 2.645 178.742 176.094 0.005 0.000 1.047 22 V CA 1.138 63.455 62.300 0.028 0.000 1.035 22 V CB -0.836 30.973 31.823 -0.023 0.000 0.658 22 V HN 0.295 nan 8.190 nan 0.000 0.452 23 V N -0.195 119.704 119.914 -0.025 0.000 2.250 23 V HA -0.345 3.775 4.120 0.001 0.000 0.250 23 V C 2.675 178.761 176.094 -0.013 0.000 1.060 23 V CA 2.196 64.482 62.300 -0.023 0.000 1.030 23 V CB -0.737 31.060 31.823 -0.043 0.000 0.643 23 V HN 0.541 nan 8.190 nan 0.000 0.445 24 Q N -0.703 119.080 119.800 -0.028 0.000 2.084 24 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 24 Q C 2.230 178.302 176.000 0.120 0.000 0.978 24 Q CA 1.870 57.664 55.803 -0.015 0.000 0.844 24 Q CB -0.364 28.310 28.738 -0.106 0.000 0.898 24 Q HN 0.671 nan 8.270 nan 0.000 0.426 25 I N 0.391 120.998 120.570 0.062 0.000 2.315 25 I HA -0.222 3.949 4.170 0.001 0.000 0.248 25 I C 2.297 178.290 176.117 -0.208 0.000 1.117 25 I CA 0.712 61.931 61.300 -0.135 0.000 1.404 25 I CB -0.341 37.484 38.000 -0.292 0.000 1.071 25 I HN -0.003 nan 8.210 nan 0.000 0.419 26 S N 0.047 115.712 115.700 -0.059 0.000 2.387 26 S HA -0.229 4.241 4.470 0.001 0.000 0.230 26 S C 1.124 175.738 174.600 0.025 0.000 1.035 26 S CA 1.226 59.411 58.200 -0.026 0.000 1.014 26 S CB -0.539 62.661 63.200 0.000 0.000 0.836 26 S HN 0.456 nan 8.310 nan 0.000 0.466 27 D N 1.858 122.313 120.400 0.091 0.000 2.619 27 D HA -0.021 4.620 4.640 0.001 0.000 0.238 27 D C 1.337 177.775 176.300 0.230 0.000 1.158 27 D CA 0.016 54.117 54.000 0.168 0.000 1.251 27 D CB -0.162 40.775 40.800 0.227 0.000 1.134 27 D HN -0.041 nan 8.370 nan 0.000 0.487 28 R N 2.279 122.863 120.500 0.141 0.000 2.162 28 R HA -0.233 4.107 4.340 0.001 0.000 0.245 28 R C 1.464 177.877 176.300 0.189 0.000 1.129 28 R CA 1.364 57.554 56.100 0.150 0.000 0.940 28 R CB -0.578 29.777 30.300 0.091 0.000 0.875 28 R HN 0.549 nan 8.270 nan 0.000 0.437 29 N N -0.579 118.213 118.700 0.153 0.000 2.069 29 N HA -0.224 4.516 4.740 0.001 0.000 0.191 29 N C 1.639 177.220 175.510 0.118 0.000 1.031 29 N CA 1.539 54.660 53.050 0.119 0.000 0.852 29 N CB -0.548 38.005 38.487 0.108 0.000 1.018 29 N HN 0.372 nan 8.380 nan 0.000 0.423 30 W N 1.427 122.777 121.300 0.084 0.000 2.355 30 W HA -0.130 4.530 4.660 0.001 0.000 0.309 30 W C 2.184 178.764 176.519 0.102 0.000 1.206 30 W CA 0.784 58.174 57.345 0.075 0.000 1.284 30 W CB -0.823 28.681 29.460 0.074 0.000 1.145 30 W HN -0.044 nan 8.180 nan 0.000 0.502 31 F N 1.969 121.864 119.950 -0.091 0.000 2.043 31 F HA -0.241 4.286 4.527 0.001 0.000 0.297 31 F C 1.728 177.312 175.800 -0.360 0.000 1.118 31 F CA 2.249 60.103 58.000 -0.244 0.000 1.202 31 F CB -1.124 37.876 39.000 -0.000 0.000 0.965 31 F HN -0.259 nan 8.300 nan 0.000 0.482 35 P HA -0.041 nan 4.420 nan 0.000 0.267 35 P C 0.805 177.971 177.300 -0.222 0.000 1.201 35 P CA 0.315 63.296 63.100 -0.198 0.000 0.775 35 P CB 0.740 32.356 31.700 -0.140 0.000 0.854 36 S N 2.090 117.684 115.700 -0.176 0.000 2.392 36 S HA -0.207 4.264 4.470 0.001 0.000 0.232 36 S C 1.760 176.277 174.600 -0.138 0.000 1.041 36 S CA 1.133 59.237 58.200 -0.159 0.000 1.026 36 S CB -0.724 62.413 63.200 -0.106 0.000 0.845 36 S HN 0.497 nan 8.310 nan 0.000 0.465 37 I N 0.505 121.010 120.570 -0.109 0.000 2.233 37 I HA -0.106 4.064 4.170 0.001 0.000 0.243 37 I C 2.096 178.161 176.117 -0.087 0.000 1.093 37 I CA 1.104 62.358 61.300 -0.078 0.000 1.380 37 I CB -0.182 37.786 38.000 -0.053 0.000 1.067 37 I HN 0.188 nan 8.210 nan 0.000 0.413 38 V N 0.786 120.631 119.914 -0.115 0.000 2.392 38 V HA -0.332 3.788 4.120 0.001 0.000 0.249 38 V C 2.360 178.372 176.094 -0.136 0.000 1.059 38 V CA 1.862 64.103 62.300 -0.098 0.000 1.051 38 V CB -0.737 31.010 31.823 -0.126 0.000 0.658 38 V HN 0.506 nan 8.190 nan 0.000 0.455 39 Q N 0.213 119.844 119.800 -0.281 0.000 2.030 39 Q HA -0.268 4.073 4.340 0.001 0.000 0.204 39 Q C 2.044 177.998 176.000 -0.077 0.000 0.986 39 Q CA 2.050 57.609 55.803 -0.408 0.000 0.843 39 Q CB -0.299 28.081 28.738 -0.597 0.000 0.904 39 Q HN 0.921 nan 8.270 nan 0.000 0.420 40 D N -1.127 119.234 120.400 -0.064 0.000 2.277 40 D HA -0.083 4.557 4.640 0.001 0.000 0.208 40 D C 1.446 177.747 176.300 0.001 0.000 0.962 40 D CA 1.162 55.153 54.000 -0.014 0.000 0.865 40 D CB -0.206 40.582 40.800 -0.019 0.000 0.939 40 D HN -0.013 nan 8.370 nan 0.000 0.510 41 T N 0.360 114.915 114.554 0.001 0.000 2.812 41 T HA 0.039 4.390 4.350 0.001 0.000 0.264 41 T C 1.950 176.678 174.700 0.048 0.000 1.042 41 T CA 0.694 62.807 62.100 0.021 0.000 1.140 41 T CB -0.279 68.600 68.868 0.020 0.000 0.870 41 T HN 0.126 nan 8.240 nan 0.000 0.445 42 L N 0.812 122.083 121.223 0.079 0.000 2.012 42 L HA -0.097 4.244 4.340 0.001 0.000 0.210 42 L C 2.512 179.424 176.870 0.070 0.000 1.073 42 L CA 1.129 56.047 54.840 0.129 0.000 0.748 42 L CB -0.614 41.608 42.059 0.271 0.000 0.891 42 L HN 0.265 nan 8.230 nan 0.000 0.431 43 I N 0.012 120.588 120.570 0.009 0.000 2.194 43 I HA -0.329 3.841 4.170 0.001 0.000 0.246 43 I C 2.786 178.896 176.117 -0.012 0.000 1.093 43 I CA 1.600 62.814 61.300 -0.142 0.000 1.355 43 I CB -0.978 36.919 38.000 -0.172 0.000 1.046 43 I HN 0.264 nan 8.210 nan 0.000 0.413 44 A N 1.054 123.881 122.820 0.011 0.000 1.930 44 A HA -0.071 4.249 4.320 0.001 0.000 0.217 44 A C 2.494 180.102 177.584 0.040 0.000 1.175 44 A CA 1.737 53.786 52.037 0.020 0.000 0.627 44 A CB -1.250 17.758 19.000 0.014 0.000 0.815 44 A HN 0.442 nan 8.150 nan 0.000 0.443 45 G N -0.323 108.513 108.800 0.061 0.000 2.421 45 G HA2 -0.020 3.940 3.960 0.001 0.000 0.216 45 G HA3 -0.020 3.940 3.960 0.001 0.000 0.216 45 G C 1.780 176.745 174.900 0.109 0.000 1.171 45 G CA 1.574 46.726 45.100 0.086 0.000 0.775 45 G HN 0.787 nan 8.290 nan 0.000 0.543 46 A N 1.033 123.930 122.820 0.127 0.000 1.873 46 A HA -0.098 4.222 4.320 0.001 0.000 0.218 46 A C 2.423 180.108 177.584 0.168 0.000 1.193 46 A CA 1.658 53.804 52.037 0.183 0.000 0.629 46 A CB -0.541 18.658 19.000 0.332 0.000 0.826 46 A HN 0.383 nan 8.150 nan 0.000 0.447 47 I N -0.766 119.887 120.570 0.139 0.000 2.151 47 I HA -0.345 3.826 4.170 0.001 0.000 0.243 47 I C 2.799 178.945 176.117 0.049 0.000 1.080 47 I CA 1.998 63.359 61.300 0.102 0.000 1.339 47 I CB -0.383 37.639 38.000 0.036 0.000 1.039 47 I HN 0.501 nan 8.210 nan 0.000 0.409 48 Q N 1.571 121.353 119.800 -0.029 0.000 2.077 48 Q HA -0.255 4.085 4.340 0.001 0.000 0.206 48 Q C 2.025 177.843 176.000 -0.302 0.000 0.989 48 Q CA 1.984 57.667 55.803 -0.200 0.000 0.853 48 Q CB -0.120 28.573 28.738 -0.074 0.000 0.907 48 Q HN 0.364 nan 8.270 nan 0.000 0.418 49 K N -0.837 119.600 120.400 0.062 0.000 2.103 49 K HA -0.074 4.246 4.320 0.001 0.000 0.204 49 K C 1.957 178.688 176.600 0.219 0.000 1.052 49 K CA 1.121 57.581 56.287 0.289 0.000 0.945 49 K CB -0.361 32.307 32.500 0.280 0.000 0.722 49 K HN 0.317 nan 8.250 nan 0.000 0.443 50 F N 2.560 122.511 119.950 0.003 0.000 2.095 50 F HA -0.232 4.295 4.527 0.001 0.000 0.298 50 F C 1.808 177.548 175.800 -0.099 0.000 1.104 50 F CA 1.522 59.491 58.000 -0.052 0.000 1.232 50 F CB -0.072 38.792 39.000 -0.227 0.000 0.987 50 F HN 0.011 nan 8.300 nan 0.000 0.475 51 E N 0.334 120.211 120.200 -0.539 0.000 2.049 51 E HA -0.258 4.093 4.350 0.001 0.000 0.198 51 E C 2.089 178.448 176.600 -0.403 0.000 1.007 51 E CA 2.300 58.285 56.400 -0.692 0.000 0.809 51 E CB -0.588 28.777 29.700 -0.559 0.000 0.749 51 E HN 0.558 nan 8.360 nan 0.000 0.450 52 F N 0.352 120.243 119.950 -0.098 0.000 2.095 52 F HA -0.257 4.270 4.527 0.001 0.000 0.298 52 F C 2.474 178.295 175.800 0.035 0.000 1.104 52 F CA 0.675 58.668 58.000 -0.011 0.000 1.232 52 F CB -0.701 38.317 39.000 0.030 0.000 0.987 52 F HN -0.092 nan 8.300 nan 0.000 0.475 53 V N -0.406 119.666 119.914 0.262 0.000 2.255 53 V HA -0.363 3.757 4.120 0.001 0.000 0.247 53 V C 2.072 178.345 176.094 0.298 0.000 1.051 53 V CA 2.206 64.700 62.300 0.323 0.000 1.018 53 V CB -0.888 31.231 31.823 0.493 0.000 0.641 53 V HN 0.439 nan 8.190 nan 0.000 0.445 54 Y N 0.839 121.067 120.300 -0.120 0.000 2.207 54 Y HA -0.299 4.252 4.550 0.001 0.000 0.287 54 Y C 2.553 178.493 175.900 0.067 0.000 1.156 54 Y CA 2.347 60.359 58.100 -0.145 0.000 1.182 54 Y CB 0.028 37.946 38.460 -0.903 0.000 0.979 54 Y HN 0.326 nan 8.280 nan 0.000 0.521 55 E N 0.013 120.350 120.200 0.228 0.000 2.028 55 E HA -0.162 4.188 4.350 0.001 0.000 0.190 55 E C 1.941 178.640 176.600 0.166 0.000 0.984 55 E CA 1.140 57.666 56.400 0.210 0.000 0.800 55 E CB -0.514 29.273 29.700 0.145 0.000 0.758 55 E HN 0.411 nan 8.360 nan 0.000 0.448 56 L N 0.294 121.625 121.223 0.180 0.000 2.083 56 L HA -0.115 4.225 4.340 0.001 0.000 0.209 56 L C 2.193 179.150 176.870 0.145 0.000 1.083 56 L CA 1.605 56.538 54.840 0.155 0.000 0.752 56 L CB -0.812 41.348 42.059 0.168 0.000 0.899 56 L HN 0.069 nan 8.230 nan 0.000 0.433 57 S N -0.597 115.229 115.700 0.209 0.000 2.353 57 S HA -0.204 4.266 4.470 0.001 0.000 0.222 57 S C 1.966 176.621 174.600 0.093 0.000 1.035 57 S CA 1.605 59.939 58.200 0.223 0.000 1.025 57 S CB -0.437 63.076 63.200 0.522 0.000 0.902 57 S HN 0.403 nan 8.310 nan 0.000 0.440 58 L N 1.000 122.279 121.223 0.094 0.000 2.013 58 L HA -0.148 4.192 4.340 0.001 0.000 0.212 58 L C 1.392 178.269 176.870 0.012 0.000 1.073 58 L CA 1.201 56.054 54.840 0.022 0.000 0.753 58 L CB -0.476 41.635 42.059 0.085 0.000 0.890 58 L HN 0.249 nan 8.230 nan 0.000 0.432 63 R N 1.499 121.966 120.500 -0.056 0.000 2.117 63 R HA -0.202 4.138 4.340 0.001 0.000 0.243 63 R C 1.965 178.229 176.300 -0.061 0.000 1.143 63 R CA 2.356 58.430 56.100 -0.042 0.000 0.968 63 R CB -0.035 30.250 30.300 -0.024 0.000 0.863 63 R HN 0.188 nan 8.270 nan 0.000 0.444 64 Q N 0.604 120.354 119.800 -0.083 0.000 2.172 64 Q HA -0.037 4.303 4.340 0.001 0.000 0.200 64 Q C 1.708 177.634 176.000 -0.124 0.000 0.964 64 Q CA 1.254 57.004 55.803 -0.089 0.000 0.855 64 Q CB -0.071 28.608 28.738 -0.098 0.000 0.918 64 Q HN 0.423 nan 8.270 nan 0.000 0.444 65 L N 0.508 121.615 121.223 -0.193 0.000 2.650 65 L HA 0.017 4.358 4.340 0.001 0.000 0.235 65 L C 1.989 178.754 176.870 -0.176 0.000 1.149 65 L CA 0.341 55.007 54.840 -0.290 0.000 0.887 65 L CB -0.093 41.710 42.059 -0.426 0.000 1.021 65 L HN 0.372 nan 8.230 nan 0.000 0.441 66 Q N -0.333 119.408 119.800 -0.098 0.000 2.252 66 Q HA -0.099 4.241 4.340 0.001 0.000 0.195 66 Q C 1.969 177.954 176.000 -0.024 0.000 0.974 66 Q CA 0.404 56.180 55.803 -0.045 0.000 0.846 66 Q CB 0.051 28.772 28.738 -0.029 0.000 0.943 66 Q HN 0.385 nan 8.270 nan 0.000 0.516 67 Q N 0.530 120.316 119.800 -0.023 0.000 2.248 67 Q HA -0.203 4.138 4.340 0.001 0.000 0.208 67 Q C 1.278 177.283 176.000 0.008 0.000 0.984 67 Q CA 1.418 57.217 55.803 -0.008 0.000 0.875 67 Q CB -0.032 28.699 28.738 -0.012 0.000 0.910 67 Q HN 0.437 nan 8.270 nan 0.000 0.433 68 D N -0.143 120.264 120.400 0.012 0.000 2.263 68 D HA -0.010 4.630 4.640 0.001 0.000 0.208 68 D C -0.208 176.143 176.300 0.084 0.000 0.971 68 D CA 0.866 54.911 54.000 0.075 0.000 0.867 68 D CB 0.249 41.132 40.800 0.138 0.000 0.929 68 D HN 0.233 nan 8.370 nan 0.000 0.492 69 A N -0.006 122.841 122.820 0.044 0.000 2.768 69 A HA 0.332 4.652 4.320 0.001 0.000 0.298 69 A C 0.509 178.109 177.584 0.028 0.000 1.159 69 A CA -0.505 51.560 52.037 0.047 0.000 0.783 69 A CB -0.030 19.007 19.000 0.061 0.000 1.333 69 A HN 0.031 nan 8.150 nan 0.000 0.412 70 I N 0.594 121.177 120.570 0.022 0.000 3.334 70 I HA -0.143 4.028 4.170 0.001 0.000 0.282 70 I C 1.363 177.490 176.117 0.017 0.000 1.313 70 I CA 0.480 61.789 61.300 0.015 0.000 1.396 70 I CB -0.275 37.731 38.000 0.011 0.000 1.054 70 I HN 0.585 nan 8.210 nan 0.000 0.495 71 N N 0.208 118.921 118.700 0.022 0.000 2.376 71 N HA -0.036 4.705 4.740 0.001 0.000 0.177 71 N C 0.555 176.080 175.510 0.025 0.000 1.024 71 N CA 0.887 53.950 53.050 0.022 0.000 0.893 71 N CB 0.205 38.708 38.487 0.026 0.000 0.980 71 N HN 0.127 nan 8.380 nan 0.000 0.439 72 T N -0.847 113.726 114.554 0.031 0.000 3.748 72 T HA 0.157 4.507 4.350 0.001 0.000 0.281 72 T C -0.167 174.557 174.700 0.040 0.000 0.977 72 T CA -0.411 61.712 62.100 0.038 0.000 1.056 72 T CB 0.508 69.411 68.868 0.059 0.000 1.138 72 T HN -0.107 nan 8.240 nan 0.000 0.498 73 D N 1.917 122.333 120.400 0.026 0.000 2.133 73 D HA -0.132 4.509 4.640 0.001 0.000 0.195 73 D C 1.447 177.762 176.300 0.026 0.000 0.997 73 D CA 1.093 55.106 54.000 0.021 0.000 0.840 73 D CB 0.067 40.874 40.800 0.013 0.000 0.947 73 D HN 0.358 nan 8.370 nan 0.000 0.452 74 D N 0.802 121.216 120.400 0.024 0.000 2.892 74 D HA -0.095 4.546 4.640 0.001 0.000 0.229 74 D C 0.529 176.853 176.300 0.040 0.000 1.124 74 D CA -0.050 53.965 54.000 0.024 0.000 1.060 74 D CB -0.335 40.473 40.800 0.014 0.000 1.182 74 D HN 0.178 nan 8.370 nan 0.000 0.439 75 I N 0.805 121.413 120.570 0.064 0.000 3.493 75 I HA -0.067 4.104 4.170 0.001 0.000 0.311 75 I C 1.728 177.912 176.117 0.112 0.000 1.210 75 I CA 0.349 61.728 61.300 0.130 0.000 1.210 75 I CB -1.358 36.741 38.000 0.165 0.000 0.993 75 I HN 0.109 nan 8.210 nan 0.000 0.539 76 G N 1.175 110.011 108.800 0.061 0.000 3.401 76 G HA2 0.352 4.312 3.960 0.001 0.000 0.251 76 G HA3 0.352 4.312 3.960 0.001 0.000 0.251 76 G C 0.794 175.715 174.900 0.036 0.000 0.960 76 G CA 0.526 45.656 45.100 0.051 0.000 1.900 76 G HN 0.457 nan 8.290 nan 0.000 0.645 77 A N -0.101 122.742 122.820 0.039 0.000 2.653 77 A HA 0.410 4.731 4.320 0.001 0.000 0.231 77 A C -0.373 177.166 177.584 -0.075 0.000 1.146 77 A CA -0.374 51.643 52.037 -0.033 0.000 1.024 77 A CB 0.085 19.033 19.000 -0.088 0.000 1.202 77 A HN 0.342 nan 8.150 nan 0.000 0.543 78 Y N 0.200 120.500 120.300 0.000 0.000 2.361 78 Y HA 0.529 5.079 4.550 0.001 0.000 0.332 78 Y C 1.182 177.095 175.900 0.022 0.000 1.101 78 Y CA -0.140 57.957 58.100 -0.004 0.000 1.137 78 Y CB 1.616 40.056 38.460 -0.033 0.000 1.207 78 Y HN 0.253 nan 8.280 nan 0.000 0.463 79 G N 2.131 111.090 108.800 0.265 0.000 2.476 79 G HA2 0.070 4.030 3.960 0.001 0.000 0.269 79 G HA3 0.070 4.030 3.960 0.001 0.000 0.269 79 G C 0.316 175.342 174.900 0.210 0.000 1.195 79 G CA -0.335 44.889 45.100 0.206 0.000 0.843 79 G HN 0.805 nan 8.290 nan 0.000 0.545 80 F N 1.047 121.046 119.950 0.081 0.000 2.063 80 F HA -0.184 4.343 4.527 0.001 0.000 0.298 80 F C 2.632 178.459 175.800 0.046 0.000 1.109 80 F CA 2.330 60.370 58.000 0.067 0.000 1.212 80 F CB -0.027 39.035 39.000 0.103 0.000 0.973 80 F HN 0.518 nan 8.300 nan 0.000 0.480 81 K N 0.119 120.545 120.400 0.042 0.000 2.059 81 K HA -0.244 4.076 4.320 0.001 0.000 0.212 81 K C 1.958 178.479 176.600 -0.132 0.000 1.050 81 K CA 1.939 58.187 56.287 -0.065 0.000 0.927 81 K CB -0.458 32.082 32.500 0.067 0.000 0.714 81 K HN 0.349 nan 8.250 nan 0.000 0.447 82 D N 0.590 120.976 120.400 -0.024 0.000 2.137 82 D HA -0.208 4.432 4.640 0.001 0.000 0.193 82 D C 2.027 178.173 176.300 -0.255 0.000 0.993 82 D CA 1.511 55.496 54.000 -0.025 0.000 0.846 82 D CB -0.299 40.687 40.800 0.311 0.000 0.990 82 D HN 0.092 nan 8.370 nan 0.000 0.448 83 I N 1.381 121.785 120.570 -0.277 0.000 2.103 83 I HA -0.330 3.841 4.170 0.001 0.000 0.241 83 I C 2.777 178.641 176.117 -0.422 0.000 1.036 83 I CA 1.255 62.327 61.300 -0.380 0.000 1.300 83 I CB -1.532 36.317 38.000 -0.252 0.000 1.010 83 I HN 0.128 nan 8.210 nan 0.000 0.406 84 L N -0.003 120.937 121.223 -0.470 0.000 1.963 84 L HA -0.275 4.065 4.340 0.001 0.000 0.220 84 L C 2.872 179.556 176.870 -0.310 0.000 1.076 84 L CA 1.791 56.360 54.840 -0.451 0.000 0.772 84 L CB -0.908 40.850 42.059 -0.502 0.000 0.892 84 L HN 0.221 nan 8.230 nan 0.000 0.435 85 R N 0.116 120.471 120.500 -0.241 0.000 2.136 85 R HA -0.283 4.058 4.340 0.001 0.000 0.242 85 R C 2.268 178.455 176.300 -0.188 0.000 1.131 85 R CA 2.219 58.221 56.100 -0.163 0.000 0.937 85 R CB -0.526 29.707 30.300 -0.113 0.000 0.863 85 R HN 0.275 nan 8.270 nan 0.000 0.435 86 E N 0.006 120.024 120.200 -0.303 0.000 2.333 86 E HA -0.126 4.225 4.350 0.001 0.000 0.198 86 E C 1.514 177.822 176.600 -0.487 0.000 1.007 86 E CA 1.228 57.380 56.400 -0.413 0.000 0.845 86 E CB 0.053 29.383 29.700 -0.617 0.000 0.766 86 E HN 0.435 nan 8.360 nan 0.000 0.507 87 A N -0.378 122.219 122.820 -0.370 0.000 1.984 87 A HA 0.047 4.368 4.320 0.001 0.000 0.214 87 A C 1.874 179.384 177.584 -0.125 0.000 1.173 87 A CA 0.565 52.415 52.037 -0.312 0.000 0.673 87 A CB -0.252 18.523 19.000 -0.375 0.000 0.830 87 A HN 0.337 nan 8.150 nan 0.000 0.453 88 L N -0.373 120.786 121.223 -0.107 0.000 2.395 88 L HA 0.137 4.477 4.340 0.001 0.000 0.218 88 L C 2.093 179.000 176.870 0.061 0.000 1.130 88 L CA 1.264 56.090 54.840 -0.022 0.000 0.826 88 L CB -0.567 41.461 42.059 -0.051 0.000 0.941 88 L HN 0.296 nan 8.230 nan 0.000 0.451 89 R N -1.501 119.074 120.500 0.125 0.000 2.073 89 R HA -0.049 4.291 4.340 0.001 0.000 0.229 89 R C 1.150 177.667 176.300 0.363 0.000 1.120 89 R CA 1.311 57.566 56.100 0.259 0.000 0.967 89 R CB -0.133 30.424 30.300 0.428 0.000 0.862 89 R HN 0.289 nan 8.270 nan 0.000 0.436 90 F N -0.151 119.752 119.950 -0.077 0.000 2.660 90 F HA 0.319 4.846 4.527 0.001 0.000 0.302 90 F C 1.205 176.973 175.800 -0.053 0.000 1.103 90 F CA -0.251 57.707 58.000 -0.069 0.000 1.340 90 F CB -0.019 38.926 39.000 -0.091 0.000 1.048 90 F HN 0.125 nan 8.300 nan 0.000 0.551 91 G N 1.049 109.941 108.800 0.155 0.000 2.323 91 G HA2 -0.305 3.656 3.960 0.001 0.000 0.292 91 G HA3 -0.305 3.656 3.960 0.001 0.000 0.292 91 G C 1.031 176.001 174.900 0.117 0.000 1.040 91 G CA 0.590 45.780 45.100 0.150 0.000 0.942 91 G HN 0.489 nan 8.290 nan 0.000 0.506 92 L N -1.471 119.793 121.223 0.068 0.000 2.249 92 L HA 0.410 4.750 4.340 0.001 0.000 0.207 92 L C 1.530 178.454 176.870 0.089 0.000 1.090 92 L CA 0.669 55.481 54.840 -0.048 0.000 0.802 92 L CB 0.092 42.070 42.059 -0.134 0.000 0.947 92 L HN 0.354 nan 8.230 nan 0.000 0.453 93 I N -1.738 118.934 120.570 0.170 0.000 2.785 93 I HA 0.263 4.434 4.170 0.001 0.000 0.302 93 I C 0.937 177.174 176.117 0.201 0.000 1.069 93 I CA -0.328 61.085 61.300 0.187 0.000 1.045 93 I CB 2.145 40.024 38.000 -0.202 0.000 1.236 93 I HN -0.131 nan 8.210 nan 0.000 0.429 94 G N 2.095 110.893 108.800 -0.004 0.000 2.486 94 G HA2 -0.009 3.951 3.960 0.001 0.000 0.210 94 G HA3 -0.009 3.951 3.960 0.001 0.000 0.210 94 G C 0.065 174.938 174.900 -0.046 0.000 1.168 94 G CA 0.510 45.513 45.100 -0.162 0.000 0.820 94 G HN 0.571 nan 8.290 nan 0.000 0.544 98 K N 1.600 121.962 120.400 -0.063 0.000 2.026 98 K HA 0.080 4.400 4.320 0.001 0.000 0.208 98 K C 1.230 177.296 176.600 -0.890 0.000 1.048 98 K CA 1.694 57.793 56.287 -0.313 0.000 0.929 98 K CB -0.465 31.968 32.500 -0.112 0.000 0.713 98 K HN 0.571 nan 8.250 nan 0.000 0.439 99 W N 0.768 121.739 121.300 -0.548 0.000 2.436 99 W HA -0.066 4.594 4.660 0.001 0.000 0.284 99 W C 2.087 178.697 176.519 0.152 0.000 1.225 99 W CA 0.304 57.494 57.345 -0.258 0.000 1.271 99 W CB -0.695 28.801 29.460 0.059 0.000 1.114 99 W HN -0.217 nan 8.180 nan 0.000 0.559 100 V N 0.460 120.552 119.914 0.296 0.000 2.594 100 V HA -0.269 3.852 4.120 0.001 0.000 0.253 100 V C 2.187 178.426 176.094 0.243 0.000 1.069 100 V CA 1.963 64.488 62.300 0.374 0.000 1.082 100 V CB -1.226 30.721 31.823 0.206 0.000 0.680 100 V HN 0.219 nan 8.190 nan 0.000 0.469 101 A N -1.992 120.883 122.820 0.091 0.000 2.030 101 A HA -0.007 4.313 4.320 0.001 0.000 0.215 101 A C 1.988 179.678 177.584 0.177 0.000 1.164 101 A CA 0.527 52.616 52.037 0.087 0.000 0.697 101 A CB -0.450 18.571 19.000 0.035 0.000 0.827 101 A HN 0.597 nan 8.150 nan 0.000 0.457 102 Y N -0.472 119.952 120.300 0.205 0.000 2.352 102 Y HA -0.147 4.403 4.550 0.001 0.000 0.292 102 Y C 2.677 178.672 175.900 0.158 0.000 1.136 102 Y CA 0.900 59.130 58.100 0.216 0.000 1.227 102 Y CB -0.016 38.697 38.460 0.422 0.000 0.991 102 Y HN 0.317 nan 8.280 nan 0.000 0.545 103 R N 1.038 121.787 120.500 0.414 0.000 2.057 103 R HA -0.092 4.248 4.340 0.001 0.000 0.229 103 R C 0.200 176.456 176.300 -0.073 0.000 1.136 103 R CA 1.143 57.304 56.100 0.101 0.000 0.952 103 R CB -0.325 30.084 30.300 0.181 0.000 0.848 103 R HN 0.197 nan 8.270 nan 0.000 0.430 107 N N 1.522 120.066 118.700 -0.260 0.000 2.550 107 N HA 0.075 4.816 4.740 0.001 0.000 0.186 107 N C 1.274 176.629 175.510 -0.259 0.000 1.110 107 N CA 1.524 54.447 53.050 -0.212 0.000 0.912 107 N CB 0.239 38.641 38.487 -0.141 0.000 0.968 107 N HN 0.682 nan 8.380 nan 0.000 0.448 108 I N -2.794 117.611 120.570 -0.275 0.000 4.009 108 I HA 0.233 4.403 4.170 0.001 0.000 0.331 108 I C 1.217 177.085 176.117 -0.414 0.000 1.462 108 I CA -0.110 60.957 61.300 -0.389 0.000 1.117 108 I CB 0.063 37.991 38.000 -0.120 0.000 1.091 108 I HN -0.195 nan 8.210 nan 0.000 0.410 109 T N -2.069 112.282 114.554 -0.340 0.000 3.081 109 T HA -0.012 4.338 4.350 0.001 0.000 0.255 109 T C 1.866 176.364 174.700 -0.337 0.000 1.113 109 T CA 0.918 62.856 62.100 -0.270 0.000 1.082 109 T CB -0.231 68.526 68.868 -0.184 0.000 0.939 109 T HN 0.495 nan 8.240 nan 0.000 0.506 110 S N 1.665 117.097 115.700 -0.447 0.000 2.453 110 S HA -0.108 4.362 4.470 0.001 0.000 0.231 110 S C 1.365 175.678 174.600 -0.478 0.000 1.005 110 S CA 0.189 58.166 58.200 -0.372 0.000 0.949 110 S CB -0.683 62.334 63.200 -0.306 0.000 0.774 110 S HN 0.759 nan 8.310 nan 0.000 0.510 111 H N 0.449 119.199 119.070 -0.534 0.000 2.505 111 H HA 0.328 4.885 4.556 0.001 0.000 0.289 111 H C 1.135 175.743 175.328 -1.200 0.000 1.052 111 H CA 0.276 55.598 56.048 -1.210 0.000 1.156 111 H CB -0.845 28.674 29.762 -0.406 0.000 1.507 111 H HN 0.334 nan 8.280 nan 0.000 0.548 112 T N 1.603 115.769 114.554 -0.647 0.000 2.946 112 T HA -0.164 4.186 4.350 0.001 0.000 0.271 112 T C 1.588 176.134 174.700 -0.258 0.000 1.104 112 T CA 1.037 62.934 62.100 -0.338 0.000 1.114 112 T CB -0.483 68.263 68.868 -0.204 0.000 0.867 112 T HN 0.574 nan 8.240 nan 0.000 0.513 113 Y N 1.366 121.686 120.300 0.034 0.000 2.348 113 Y HA -0.016 4.534 4.550 0.001 0.000 0.285 113 Y C 0.941 176.855 175.900 0.022 0.000 1.173 113 Y CA -0.525 57.589 58.100 0.024 0.000 1.263 113 Y CB -1.149 37.326 38.460 0.025 0.000 0.974 113 Y HN 0.054 nan 8.280 nan 0.000 0.547 114 D N 1.575 122.131 120.400 0.260 0.000 2.383 114 D HA 0.003 4.643 4.640 0.001 0.000 0.245 114 D C 1.196 177.545 176.300 0.081 0.000 1.263 114 D CA 0.030 54.156 54.000 0.210 0.000 0.936 114 D CB 0.494 41.401 40.800 0.179 0.000 1.053 114 D HN 0.119 nan 8.370 nan 0.000 0.507 115 Q N 2.678 122.523 119.800 0.075 0.000 2.142 115 Q HA -0.267 4.073 4.340 0.001 0.000 0.213 115 Q C 1.288 177.304 176.000 0.028 0.000 1.004 115 Q CA 1.782 57.608 55.803 0.039 0.000 0.883 115 Q CB 0.081 28.839 28.738 0.033 0.000 0.939 115 Q HN 0.678 nan 8.270 nan 0.000 0.413 116 E N -0.170 120.050 120.200 0.032 0.000 2.077 116 E HA -0.135 4.215 4.350 0.001 0.000 0.193 116 E C 2.016 178.628 176.600 0.021 0.000 0.989 116 E CA 0.816 57.232 56.400 0.026 0.000 0.800 116 E CB -0.023 29.692 29.700 0.026 0.000 0.746 116 E HN 0.236 nan 8.360 nan 0.000 0.452 117 K N 0.529 120.941 120.400 0.020 0.000 2.281 117 K HA -0.055 4.265 4.320 0.001 0.000 0.203 117 K C 0.934 177.524 176.600 -0.016 0.000 1.046 117 K CA 0.445 56.733 56.287 0.003 0.000 0.938 117 K CB -0.026 32.475 32.500 0.000 0.000 0.737 117 K HN 0.050 nan 8.250 nan 0.000 0.458 121 V N 0.123 119.998 119.914 -0.065 0.000 2.261 121 V HA -0.226 3.894 4.120 0.001 0.000 0.246 121 V C 2.217 178.195 176.094 -0.194 0.000 1.047 121 V CA 2.605 64.813 62.300 -0.153 0.000 1.015 121 V CB -0.968 30.764 31.823 -0.151 0.000 0.642 121 V HN 0.631 nan 8.190 nan 0.000 0.446 122 Y N 1.595 121.789 120.300 -0.176 0.000 2.081 122 Y HA -0.310 4.240 4.550 0.001 0.000 0.280 122 Y C 2.397 178.204 175.900 -0.155 0.000 1.163 122 Y CA 1.774 59.775 58.100 -0.165 0.000 1.135 122 Y CB -0.739 37.658 38.460 -0.105 0.000 0.970 122 Y HN 0.165 nan 8.280 nan 0.000 0.498 123 A N -0.220 122.544 122.820 -0.093 0.000 2.194 123 A HA -0.235 4.085 4.320 0.001 0.000 0.220 123 A C 1.775 179.233 177.584 -0.210 0.000 1.162 123 A CA 1.899 53.857 52.037 -0.131 0.000 0.674 123 A CB -0.637 18.357 19.000 -0.011 0.000 0.789 123 A HN 0.769 nan 8.150 nan 0.000 0.470 124 Q N -1.273 118.369 119.800 -0.263 0.000 2.247 124 Q HA 0.348 4.688 4.340 0.001 0.000 0.211 124 Q C 1.212 177.030 176.000 -0.303 0.000 0.861 124 Q CA -0.093 55.579 55.803 -0.218 0.000 0.949 124 Q CB 0.277 28.919 28.738 -0.161 0.000 1.115 124 Q HN 0.719 nan 8.270 nan 0.000 0.507 125 I N 0.576 120.874 120.570 -0.454 0.000 2.480 125 I HA -0.159 4.011 4.170 0.001 0.000 0.251 125 I C 1.644 177.625 176.117 -0.227 0.000 1.124 125 I CA 0.703 61.769 61.300 -0.391 0.000 1.444 125 I CB 0.006 37.715 38.000 -0.484 0.000 1.098 125 I HN 0.179 nan 8.210 nan 0.000 0.428 126 D N 1.169 121.405 120.400 -0.274 0.000 2.133 126 D HA -0.265 4.375 4.640 0.001 0.000 0.195 126 D C 1.599 177.838 176.300 -0.102 0.000 0.997 126 D CA 1.989 55.892 54.000 -0.160 0.000 0.840 126 D CB -0.088 40.627 40.800 -0.142 0.000 0.947 126 D HN 0.370 nan 8.370 nan 0.000 0.452 127 D N 0.118 120.458 120.400 -0.099 0.000 2.097 127 D HA -0.183 4.457 4.640 0.001 0.000 0.197 127 D C 1.998 178.267 176.300 -0.052 0.000 0.984 127 D CA 0.570 54.546 54.000 -0.040 0.000 0.826 127 D CB -0.516 40.288 40.800 0.006 0.000 0.973 127 D HN 0.130 nan 8.370 nan 0.000 0.460 128 F N 0.970 120.730 119.950 -0.316 0.000 2.192 128 F HA -0.108 4.420 4.527 0.001 0.000 0.301 128 F C 1.929 177.566 175.800 -0.273 0.000 1.079 128 F CA 1.055 58.686 58.000 -0.616 0.000 1.303 128 F CB -0.392 38.030 39.000 -0.963 0.000 1.024 128 F HN 0.026 nan 8.300 nan 0.000 0.494 129 L N -0.042 121.029 121.223 -0.253 0.000 2.081 129 L HA -0.272 4.068 4.340 0.001 0.000 0.212 129 L C 2.356 179.186 176.870 -0.066 0.000 1.080 129 L CA 1.642 56.397 54.840 -0.141 0.000 0.754 129 L CB -0.567 41.481 42.059 -0.018 0.000 0.893 129 L HN 0.226 nan 8.230 nan 0.000 0.433 130 I N -1.338 119.191 120.570 -0.069 0.000 2.233 130 I HA -0.194 3.976 4.170 0.001 0.000 0.243 130 I C 2.495 178.610 176.117 -0.004 0.000 1.093 130 I CA 0.854 62.150 61.300 -0.007 0.000 1.380 130 I CB -0.461 37.536 38.000 -0.004 0.000 1.067 130 I HN 0.152 nan 8.210 nan 0.000 0.413 131 E N 1.321 121.500 120.200 -0.036 0.000 2.085 131 E HA -0.176 4.174 4.350 0.001 0.000 0.194 131 E C 2.368 179.073 176.600 0.175 0.000 0.994 131 E CA 1.870 58.343 56.400 0.121 0.000 0.801 131 E CB -0.370 29.481 29.700 0.251 0.000 0.743 131 E HN 0.543 nan 8.360 nan 0.000 0.453 132 S N 1.281 116.834 115.700 -0.245 0.000 2.378 132 S HA -0.221 4.249 4.470 0.001 0.000 0.221 132 S C 2.203 176.716 174.600 -0.146 0.000 1.037 132 S CA 1.524 59.587 58.200 -0.228 0.000 1.069 132 S CB -0.793 62.086 63.200 -0.535 0.000 1.006 132 S HN 0.201 nan 8.310 nan 0.000 0.423 133 S N 1.062 116.600 115.700 -0.269 0.000 2.393 133 S HA -0.245 4.225 4.470 0.001 0.000 0.235 133 S C 1.445 175.956 174.600 -0.148 0.000 1.061 133 S CA 1.839 59.790 58.200 -0.415 0.000 1.129 133 S CB -0.841 62.305 63.200 -0.090 0.000 1.011 133 S HN 0.445 nan 8.310 nan 0.000 0.436 134 F N 1.996 121.874 119.950 -0.120 0.000 2.021 134 F HA -0.223 4.305 4.527 0.001 0.000 0.297 134 F C 2.079 177.843 175.800 -0.059 0.000 1.152 134 F CA 2.259 60.228 58.000 -0.052 0.000 1.201 134 F CB -1.215 37.798 39.000 0.022 0.000 0.951 134 F HN 0.328 nan 8.300 nan 0.000 0.504 135 L N 0.456 121.759 121.223 0.133 0.000 2.034 135 L HA -0.286 4.054 4.340 0.001 0.000 0.217 135 L C 2.334 179.118 176.870 -0.143 0.000 1.077 135 L CA 1.995 56.818 54.840 -0.028 0.000 0.769 135 L CB -1.172 40.964 42.059 0.129 0.000 0.890 135 L HN 0.450 nan 8.230 nan 0.000 0.435 136 L N -0.902 120.226 121.223 -0.158 0.000 2.012 136 L HA -0.282 4.058 4.340 0.001 0.000 0.210 136 L C 2.520 179.272 176.870 -0.197 0.000 1.073 136 L CA 1.974 56.696 54.840 -0.197 0.000 0.748 136 L CB -0.318 41.534 42.059 -0.344 0.000 0.891 136 L HN 0.475 nan 8.230 nan 0.000 0.431 137 E N -0.776 119.286 120.200 -0.230 0.000 2.005 137 E HA -0.292 4.059 4.350 0.001 0.000 0.198 137 E C 2.089 178.550 176.600 -0.232 0.000 1.010 137 E CA 1.391 57.661 56.400 -0.217 0.000 0.825 137 E CB -0.230 29.329 29.700 -0.235 0.000 0.769 137 E HN 0.417 nan 8.360 nan 0.000 0.456 138 Q N 0.520 120.112 119.800 -0.346 0.000 2.082 138 Q HA -0.230 4.110 4.340 0.001 0.000 0.211 138 Q C 2.410 178.297 176.000 -0.188 0.000 1.002 138 Q CA 1.473 57.089 55.803 -0.312 0.000 0.868 138 Q CB -0.722 27.761 28.738 -0.425 0.000 0.931 138 Q HN 0.326 nan 8.270 nan 0.000 0.414 139 L N 0.111 121.233 121.223 -0.169 0.000 2.093 139 L HA -0.155 4.186 4.340 0.001 0.000 0.208 139 L C 2.783 179.597 176.870 -0.094 0.000 1.085 139 L CA 1.146 55.917 54.840 -0.115 0.000 0.755 139 L CB -0.241 41.759 42.059 -0.099 0.000 0.904 139 L HN 0.180 nan 8.230 nan 0.000 0.435 140 R N -0.228 120.210 120.500 -0.104 0.000 2.083 140 R HA -0.161 4.180 4.340 0.001 0.000 0.237 140 R C 0.996 177.252 176.300 -0.073 0.000 1.137 140 R CA 1.123 57.173 56.100 -0.084 0.000 0.951 140 R CB -0.103 30.141 30.300 -0.094 0.000 0.851 140 R HN 0.431 nan 8.270 nan 0.000 0.434 141 Q N 0.000 119.748 119.800 -0.086 0.000 2.315 141 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 141 Q CA 0.000 55.760 55.803 -0.072 0.000 1.022 141 Q CB 0.000 28.688 28.738 -0.083 0.000 1.108 141 Q HN 0.000 nan 8.270 nan 0.000 0.481