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 3cdh_1_A DATA FIRST_RESID 7 DATA SEQUENCE DTFVSGYLLY LLAASSEEAS AQFHDHIRAQ GLRVPEWRVL ACLVDNDAXX DATA SEQUENCE ITRLAKLSLX EQSRXTRIVD QXDARGLVTR VAXXXXXXRV RVRLTDDGRA DATA SEQUENCE LAESLVASAR AHETRLLSAL ADTDAARIKG VLRTLLDVLD 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 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.311 176.300 0.019 0.000 2.045 7 D CA 0.000 54.007 54.000 0.011 0.000 0.868 7 D CB 0.000 40.800 40.800 0.001 0.000 0.688 8 T N -1.642 112.918 114.554 0.009 0.000 2.889 8 T HA 0.392 4.742 4.350 -0.000 0.000 0.278 8 T C 1.055 175.793 174.700 0.064 0.000 0.995 8 T CA -0.258 61.861 62.100 0.031 0.000 0.966 8 T CB 0.673 69.543 68.868 0.003 0.000 1.237 8 T HN 0.224 nan 8.240 nan 0.000 0.591 9 F N 0.854 120.775 119.950 -0.047 0.000 2.060 9 F HA 0.005 4.532 4.527 -0.000 0.000 0.295 9 F C 2.190 177.978 175.800 -0.021 0.000 1.120 9 F CA 1.368 59.342 58.000 -0.043 0.000 1.205 9 F CB -1.149 37.801 39.000 -0.082 0.000 0.986 9 F HN 0.296 nan 8.300 nan 0.000 0.470 10 V N 0.061 119.657 119.914 -0.529 0.000 2.453 10 V HA -0.336 3.784 4.120 -0.000 0.000 0.252 10 V C 2.681 178.484 176.094 -0.486 0.000 1.068 10 V CA 2.065 63.975 62.300 -0.649 0.000 1.070 10 V CB -1.285 30.213 31.823 -0.540 0.000 0.664 10 V HN 0.482 nan 8.190 nan 0.000 0.461 11 S N 0.035 115.558 115.700 -0.295 0.000 2.374 11 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 11 S C 1.730 176.306 174.600 -0.041 0.000 1.037 11 S CA 1.693 59.801 58.200 -0.152 0.000 1.024 11 S CB -0.326 62.832 63.200 -0.069 0.000 0.861 11 S HN 0.746 nan 8.310 nan 0.000 0.456 12 G N -1.442 107.334 108.800 -0.040 0.000 3.377 12 G HA2 0.194 4.154 3.960 -0.000 0.000 0.257 12 G HA3 0.194 4.154 3.960 -0.000 0.000 0.257 12 G C -0.176 174.757 174.900 0.056 0.000 1.038 12 G CA -0.318 44.798 45.100 0.027 0.000 0.809 12 G HN 0.418 nan 8.290 nan 0.000 0.526 13 Y N 1.821 122.008 120.300 -0.188 0.000 2.404 13 Y HA 0.370 4.920 4.550 -0.000 0.000 0.344 13 Y C 1.336 177.208 175.900 -0.047 0.000 0.995 13 Y CA -2.133 55.842 58.100 -0.210 0.000 1.201 13 Y CB 1.350 39.406 38.460 -0.673 0.000 1.151 13 Y HN -0.027 nan 8.280 nan 0.000 0.517 14 L N 5.848 126.862 121.223 -0.348 0.000 2.081 14 L HA -0.231 4.108 4.340 -0.000 0.000 0.212 14 L C 1.477 178.068 176.870 -0.465 0.000 1.080 14 L CA 1.938 56.589 54.840 -0.316 0.000 0.754 14 L CB -0.481 41.467 42.059 -0.185 0.000 0.893 14 L HN 0.843 nan 8.230 nan 0.000 0.433 15 L N -1.756 118.914 121.223 -0.921 0.000 2.201 15 L HA -0.210 4.129 4.340 -0.000 0.000 0.212 15 L C 2.460 179.141 176.870 -0.316 0.000 1.105 15 L CA 1.432 55.932 54.840 -0.566 0.000 0.775 15 L CB -0.753 40.989 42.059 -0.528 0.000 0.913 15 L HN 0.434 nan 8.230 nan 0.000 0.440 16 Y N 0.643 120.696 120.300 -0.411 0.000 2.286 16 Y HA -0.128 4.422 4.550 -0.000 0.000 0.293 16 Y C 2.341 178.157 175.900 -0.141 0.000 1.124 16 Y CA 1.164 59.166 58.100 -0.164 0.000 1.178 16 Y CB -0.008 38.398 38.460 -0.090 0.000 1.010 16 Y HN -0.036 nan 8.280 nan 0.000 0.536 17 L N -0.269 120.853 121.223 -0.168 0.000 2.083 17 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 17 L C 2.345 179.066 176.870 -0.248 0.000 1.083 17 L CA 1.240 55.959 54.840 -0.200 0.000 0.752 17 L CB -0.577 41.438 42.059 -0.074 0.000 0.899 17 L HN 0.326 nan 8.230 nan 0.000 0.433 18 L N -0.660 120.432 121.223 -0.217 0.000 2.023 18 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 18 L C 2.893 179.647 176.870 -0.192 0.000 1.073 18 L CA 1.212 55.947 54.840 -0.174 0.000 0.745 18 L CB -0.685 41.291 42.059 -0.139 0.000 0.900 18 L HN 0.201 nan 8.230 nan 0.000 0.435 19 A N -0.031 122.661 122.820 -0.213 0.000 1.883 19 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 19 A C 2.470 179.903 177.584 -0.252 0.000 1.186 19 A CA 2.008 53.933 52.037 -0.185 0.000 0.624 19 A CB -0.851 18.067 19.000 -0.138 0.000 0.822 19 A HN 0.433 nan 8.150 nan 0.000 0.444 20 A N -0.725 121.821 122.820 -0.457 0.000 1.898 20 A HA -0.020 4.299 4.320 -0.000 0.000 0.216 20 A C 2.434 179.857 177.584 -0.269 0.000 1.181 20 A CA 1.942 53.707 52.037 -0.453 0.000 0.620 20 A CB -0.855 17.623 19.000 -0.869 0.000 0.819 20 A HN 0.461 nan 8.150 nan 0.000 0.442 21 S N -0.209 115.344 115.700 -0.245 0.000 2.359 21 S HA -0.201 4.269 4.470 -0.000 0.000 0.223 21 S C 2.357 176.880 174.600 -0.128 0.000 1.039 21 S CA 1.709 59.816 58.200 -0.155 0.000 1.042 21 S CB -0.544 62.578 63.200 -0.130 0.000 0.915 21 S HN 0.714 nan 8.310 nan 0.000 0.439 22 S N 1.119 116.744 115.700 -0.125 0.000 2.370 22 S HA -0.213 4.257 4.470 -0.000 0.000 0.226 22 S C 1.976 176.507 174.600 -0.115 0.000 1.033 22 S CA 1.879 60.021 58.200 -0.098 0.000 1.011 22 S CB -0.407 62.747 63.200 -0.075 0.000 0.852 22 S HN 0.546 nan 8.310 nan 0.000 0.457 23 E N 0.824 120.951 120.200 -0.122 0.000 2.072 23 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 23 E C 1.954 178.473 176.600 -0.135 0.000 0.985 23 E CA 1.730 58.059 56.400 -0.118 0.000 0.801 23 E CB -0.456 29.189 29.700 -0.092 0.000 0.750 23 E HN 0.687 nan 8.360 nan 0.000 0.452 24 E N -0.409 119.719 120.200 -0.120 0.000 2.107 24 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 24 E C 1.962 178.497 176.600 -0.109 0.000 0.982 24 E CA 0.866 57.204 56.400 -0.102 0.000 0.809 24 E CB -0.153 29.497 29.700 -0.083 0.000 0.756 24 E HN 0.410 nan 8.360 nan 0.000 0.459 25 A N 0.446 123.199 122.820 -0.111 0.000 1.930 25 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 25 A C 2.264 179.765 177.584 -0.139 0.000 1.175 25 A CA 1.490 53.467 52.037 -0.099 0.000 0.627 25 A CB -0.261 18.691 19.000 -0.081 0.000 0.815 25 A HN 0.108 nan 8.150 nan 0.000 0.443 26 S N -0.312 115.254 115.700 -0.222 0.000 2.387 26 S HA 0.090 4.560 4.470 -0.000 0.000 0.226 26 S C 2.272 176.592 174.600 -0.468 0.000 1.026 26 S CA 0.836 58.780 58.200 -0.426 0.000 0.972 26 S CB -0.336 62.418 63.200 -0.743 0.000 0.814 26 S HN 0.770 nan 8.310 nan 0.000 0.477 27 A N 1.537 124.176 122.820 -0.301 0.000 1.940 27 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 27 A C 2.161 179.663 177.584 -0.137 0.000 1.176 27 A CA 1.229 53.161 52.037 -0.175 0.000 0.631 27 A CB -0.497 18.440 19.000 -0.104 0.000 0.814 27 A HN 0.369 nan 8.150 nan 0.000 0.446 28 Q N -1.498 118.214 119.800 -0.146 0.000 1.967 28 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 28 Q C 1.994 177.801 176.000 -0.323 0.000 0.985 28 Q CA 1.719 57.421 55.803 -0.168 0.000 0.839 28 Q CB -0.553 28.128 28.738 -0.096 0.000 0.906 28 Q HN 0.695 nan 8.270 nan 0.000 0.423 29 F N 1.215 120.814 119.950 -0.585 0.000 2.161 29 F HA -0.185 4.341 4.527 -0.000 0.000 0.300 29 F C 1.874 177.498 175.800 -0.294 0.000 1.089 29 F CA 1.487 59.094 58.000 -0.655 0.000 1.282 29 F CB -0.411 38.269 39.000 -0.533 0.000 1.010 29 F HN 0.282 nan 8.300 nan 0.000 0.485 30 H N -1.494 117.356 119.070 -0.368 0.000 2.570 30 H HA -0.110 4.446 4.556 -0.000 0.000 0.280 30 H C 1.152 176.296 175.328 -0.306 0.000 1.038 30 H CA 0.590 56.433 56.048 -0.342 0.000 1.186 30 H CB -0.005 29.669 29.762 -0.145 0.000 1.339 30 H HN 0.384 nan 8.280 nan 0.000 0.615 31 D N -0.900 119.370 120.400 -0.218 0.000 2.431 31 D HA -0.085 4.554 4.640 -0.000 0.000 0.235 31 D C 1.817 178.033 176.300 -0.140 0.000 0.980 31 D CA 0.363 54.271 54.000 -0.154 0.000 0.912 31 D CB 0.197 40.933 40.800 -0.108 0.000 1.056 31 D HN 0.204 nan 8.370 nan 0.000 0.494 32 H N -0.031 118.818 119.070 -0.368 0.000 2.489 32 H HA 0.025 4.581 4.556 -0.000 0.000 0.295 32 H C 1.803 176.853 175.328 -0.463 0.000 1.082 32 H CA 0.753 56.590 56.048 -0.351 0.000 1.295 32 H CB -0.076 29.512 29.762 -0.290 0.000 1.380 32 H HN 0.313 nan 8.280 nan 0.000 0.548 33 I N -0.622 119.639 120.570 -0.516 0.000 2.429 33 I HA -0.125 4.045 4.170 -0.000 0.000 0.247 33 I C 2.540 178.522 176.117 -0.226 0.000 1.099 33 I CA 0.440 61.473 61.300 -0.445 0.000 1.422 33 I CB -0.078 37.579 38.000 -0.573 0.000 1.112 33 I HN 0.028 nan 8.210 nan 0.000 0.430 34 R N 0.774 121.159 120.500 -0.192 0.000 2.127 34 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 34 R C 2.279 178.531 176.300 -0.080 0.000 1.134 34 R CA 1.537 57.570 56.100 -0.111 0.000 0.975 34 R CB -0.217 30.031 30.300 -0.087 0.000 0.865 34 R HN 0.392 nan 8.270 nan 0.000 0.447 35 A N 0.217 122.988 122.820 -0.082 0.000 1.874 35 A HA -0.102 4.217 4.320 -0.000 0.000 0.214 35 A C 1.793 179.342 177.584 -0.059 0.000 1.189 35 A CA 0.764 52.767 52.037 -0.056 0.000 0.615 35 A CB -0.159 18.816 19.000 -0.042 0.000 0.830 35 A HN 0.190 nan 8.150 nan 0.000 0.443 36 Q N -0.725 119.029 119.800 -0.077 0.000 2.541 36 Q HA 0.036 4.376 4.340 -0.000 0.000 0.215 36 Q C 0.961 176.939 176.000 -0.037 0.000 0.977 36 Q CA 0.799 56.569 55.803 -0.056 0.000 0.934 36 Q CB -0.388 28.315 28.738 -0.057 0.000 0.988 36 Q HN 0.997 nan 8.270 nan 0.000 0.521 37 G N 0.694 109.469 108.800 -0.043 0.000 2.212 37 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.255 37 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.255 37 G C -0.175 174.712 174.900 -0.021 0.000 1.062 37 G CA 0.072 45.155 45.100 -0.029 0.000 0.815 37 G HN 0.264 nan 8.290 nan 0.000 0.497 38 L N -1.243 119.961 121.223 -0.031 0.000 2.286 38 L HA 0.758 5.098 4.340 -0.000 0.000 0.265 38 L C 0.934 177.790 176.870 -0.024 0.000 1.012 38 L CA -1.373 53.462 54.840 -0.008 0.000 0.818 38 L CB 1.520 43.595 42.059 0.027 0.000 1.337 38 L HN 0.160 nan 8.230 nan 0.000 0.438 39 R N -0.201 120.298 120.500 -0.001 0.000 2.668 39 R HA 0.349 4.689 4.340 -0.000 0.000 0.279 39 R C 0.762 177.066 176.300 0.006 0.000 0.976 39 R CA -0.823 55.266 56.100 -0.018 0.000 0.978 39 R CB 1.783 32.078 30.300 -0.008 0.000 1.133 39 R HN 0.318 nan 8.270 nan 0.000 0.484 40 V N 2.528 122.413 119.914 -0.049 0.000 2.282 40 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 40 V C -1.049 175.098 176.094 0.088 0.000 1.057 40 V CA 1.912 64.201 62.300 -0.019 0.000 1.032 40 V CB -1.046 30.662 31.823 -0.190 0.000 0.645 40 V HN 0.750 nan 8.190 nan 0.000 0.447 41 P HA -0.105 nan 4.420 nan 0.000 0.221 41 P C 1.433 178.732 177.300 -0.002 0.000 1.150 41 P CA 1.178 64.282 63.100 0.007 0.000 0.800 41 P CB -0.016 31.683 31.700 -0.002 0.000 0.787 42 E N -0.647 119.572 120.200 0.033 0.000 2.072 42 E HA -0.166 4.183 4.350 -0.000 0.000 0.191 42 E C 1.999 178.640 176.600 0.069 0.000 0.985 42 E CA 0.775 57.197 56.400 0.037 0.000 0.801 42 E CB -0.792 28.936 29.700 0.048 0.000 0.750 42 E HN 0.407 nan 8.360 nan 0.000 0.452 43 W N 2.669 123.959 121.300 -0.016 0.000 2.335 43 W HA -0.208 4.452 4.660 -0.000 0.000 0.311 43 W C 1.638 178.184 176.519 0.045 0.000 1.213 43 W CA 1.214 58.571 57.345 0.020 0.000 1.274 43 W CB -0.268 29.200 29.460 0.013 0.000 1.148 43 W HN -0.065 nan 8.180 nan 0.000 0.498 44 R N 0.459 120.609 120.500 -0.584 0.000 2.105 44 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 44 R C 2.215 178.248 176.300 -0.445 0.000 1.135 44 R CA 1.938 57.628 56.100 -0.684 0.000 0.967 44 R CB -0.826 29.294 30.300 -0.301 0.000 0.861 44 R HN 0.167 nan 8.270 nan 0.000 0.442 45 V N 1.533 121.298 119.914 -0.249 0.000 2.358 45 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 45 V C 2.324 178.316 176.094 -0.171 0.000 1.047 45 V CA 1.558 63.761 62.300 -0.163 0.000 1.035 45 V CB -0.377 31.395 31.823 -0.084 0.000 0.658 45 V HN 0.279 nan 8.190 nan 0.000 0.452 46 L N 0.123 121.249 121.223 -0.162 0.000 2.046 46 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 46 L C 2.771 179.524 176.870 -0.195 0.000 1.077 46 L CA 1.641 56.420 54.840 -0.101 0.000 0.747 46 L CB -0.929 41.153 42.059 0.038 0.000 0.896 46 L HN 0.373 nan 8.230 nan 0.000 0.432 47 A N -0.704 121.821 122.820 -0.492 0.000 1.908 47 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 47 A C 2.375 179.792 177.584 -0.280 0.000 1.181 47 A CA 2.031 53.739 52.037 -0.548 0.000 0.627 47 A CB -1.139 17.206 19.000 -1.090 0.000 0.818 47 A HN 0.558 nan 8.150 nan 0.000 0.445 48 C N -1.196 117.954 119.300 -0.251 0.000 2.450 48 C HA 0.125 4.584 4.460 -0.000 0.000 0.279 48 C C 2.319 177.249 174.990 -0.099 0.000 1.335 48 C CA 0.702 59.629 59.018 -0.151 0.000 1.749 48 C CB -1.194 26.467 27.740 -0.131 0.000 1.963 48 C HN 0.592 nan 8.230 nan 0.000 0.501 49 L N -0.372 120.794 121.223 -0.094 0.000 2.585 49 L HA 0.089 4.429 4.340 -0.000 0.000 0.226 49 L C 2.284 179.133 176.870 -0.035 0.000 1.113 49 L CA 0.194 55.001 54.840 -0.055 0.000 0.876 49 L CB -0.289 41.742 42.059 -0.047 0.000 1.072 49 L HN 0.145 nan 8.230 nan 0.000 0.468 50 V N 1.408 121.300 119.914 -0.036 0.000 2.490 50 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 50 V C 1.095 177.186 176.094 -0.005 0.000 1.061 50 V CA 2.386 64.682 62.300 -0.007 0.000 1.064 50 V CB -0.150 31.680 31.823 0.012 0.000 0.670 50 V HN 0.705 nan 8.190 nan 0.000 0.461 51 D N -1.958 118.434 120.400 -0.014 0.000 2.599 51 D HA 0.194 4.834 4.640 -0.000 0.000 0.249 51 D C -0.211 176.081 176.300 -0.014 0.000 1.313 51 D CA -0.308 53.686 54.000 -0.009 0.000 0.815 51 D CB -0.528 40.268 40.800 -0.007 0.000 1.077 51 D HN 0.487 nan 8.370 nan 0.000 0.492 52 N N -0.172 118.517 118.700 -0.018 0.000 2.225 52 N HA 0.228 4.968 4.740 -0.000 0.000 0.298 52 N C -0.151 175.350 175.510 -0.015 0.000 1.076 52 N CA -0.669 52.370 53.050 -0.017 0.000 0.792 52 N CB 2.580 41.053 38.487 -0.023 0.000 1.498 52 N HN -0.246 nan 8.380 nan 0.000 0.474 53 D N 0.647 121.040 120.400 -0.012 0.000 2.106 53 D HA 0.159 4.798 4.640 -0.000 0.000 0.203 53 D C 0.171 176.464 176.300 -0.012 0.000 0.977 53 D CA 0.995 54.989 54.000 -0.010 0.000 0.844 53 D CB 0.181 40.977 40.800 -0.007 0.000 1.002 53 D HN 0.576 nan 8.370 nan 0.000 0.461 58 T N 0.087 114.632 114.554 -0.015 0.000 2.684 58 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 58 T C 1.813 176.503 174.700 -0.017 0.000 1.036 58 T CA 1.938 64.030 62.100 -0.014 0.000 1.148 58 T CB -0.314 68.548 68.868 -0.011 0.000 0.863 58 T HN 0.165 nan 8.240 nan 0.000 0.436 59 R N 0.732 121.220 120.500 -0.020 0.000 2.115 59 R HA 0.255 4.595 4.340 -0.000 0.000 0.226 59 R C 2.458 178.739 176.300 -0.031 0.000 1.100 59 R CA 0.700 56.786 56.100 -0.023 0.000 0.980 59 R CB -0.760 29.526 30.300 -0.023 0.000 0.875 59 R HN 0.472 nan 8.270 nan 0.000 0.445 60 L N -0.394 120.808 121.223 -0.034 0.000 1.994 60 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 60 L C 2.461 179.305 176.870 -0.043 0.000 1.071 60 L CA 1.510 56.323 54.840 -0.045 0.000 0.745 60 L CB -0.625 41.408 42.059 -0.044 0.000 0.892 60 L HN 0.336 nan 8.230 nan 0.000 0.431 61 A N -0.097 122.705 122.820 -0.031 0.000 1.908 61 A HA -0.284 4.035 4.320 -0.000 0.000 0.218 61 A C 2.283 179.854 177.584 -0.022 0.000 1.181 61 A CA 2.207 54.230 52.037 -0.024 0.000 0.627 61 A CB -0.434 18.556 19.000 -0.017 0.000 0.818 61 A HN 0.248 nan 8.150 nan 0.000 0.445 62 K N -0.065 120.322 120.400 -0.021 0.000 2.057 62 K HA 0.051 4.371 4.320 -0.000 0.000 0.206 62 K C 1.734 178.321 176.600 -0.022 0.000 1.050 62 K CA 1.232 57.508 56.287 -0.018 0.000 0.935 62 K CB -0.486 32.005 32.500 -0.015 0.000 0.715 62 K HN 0.473 nan 8.250 nan 0.000 0.439 63 L N 0.159 121.363 121.223 -0.032 0.000 2.131 63 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 63 L C 1.606 178.450 176.870 -0.043 0.000 1.092 63 L CA 1.190 56.006 54.840 -0.040 0.000 0.759 63 L CB -0.236 41.789 42.059 -0.057 0.000 0.903 63 L HN 0.072 nan 8.230 nan 0.000 0.435 64 S N -0.538 115.135 115.700 -0.045 0.000 2.575 64 S HA 0.293 4.763 4.470 -0.000 0.000 0.215 64 S C 0.556 175.149 174.600 -0.012 0.000 0.966 64 S CA -0.334 57.840 58.200 -0.042 0.000 0.911 64 S CB -0.180 62.985 63.200 -0.059 0.000 0.780 64 S HN 0.208 nan 8.310 nan 0.000 0.514 68 Q N 0.539 120.337 119.800 -0.004 0.000 2.170 68 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 68 Q C 1.697 177.694 176.000 -0.005 0.000 0.976 68 Q CA 2.130 57.930 55.803 -0.006 0.000 0.858 68 Q CB 0.079 28.814 28.738 -0.006 0.000 0.907 68 Q HN 0.613 nan 8.270 nan 0.000 0.433 69 S N -0.123 115.575 115.700 -0.003 0.000 2.395 69 S HA -0.016 4.454 4.470 -0.000 0.000 0.225 69 S C 1.096 175.694 174.600 -0.003 0.000 1.027 69 S CA -0.247 57.951 58.200 -0.003 0.000 0.965 69 S CB -0.036 63.163 63.200 -0.001 0.000 0.812 69 S HN 0.075 nan 8.310 nan 0.000 0.482 73 R N 1.438 121.935 120.500 -0.005 0.000 2.091 73 R HA 0.014 4.353 4.340 -0.000 0.000 0.238 73 R C 2.035 178.332 176.300 -0.004 0.000 1.136 73 R CA 1.894 57.992 56.100 -0.004 0.000 0.959 73 R CB -0.465 29.834 30.300 -0.003 0.000 0.856 73 R HN 0.454 nan 8.270 nan 0.000 0.437 74 I N 0.312 120.879 120.570 -0.005 0.000 2.163 74 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 74 I C 2.407 178.520 176.117 -0.007 0.000 1.081 74 I CA 0.928 62.224 61.300 -0.006 0.000 1.353 74 I CB -0.229 37.767 38.000 -0.006 0.000 1.054 74 I HN 0.012 nan 8.210 nan 0.000 0.407 75 V N 1.010 120.918 119.914 -0.010 0.000 2.282 75 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 75 V C 2.086 178.176 176.094 -0.007 0.000 1.057 75 V CA 2.203 64.496 62.300 -0.011 0.000 1.032 75 V CB -0.710 31.104 31.823 -0.015 0.000 0.645 75 V HN 0.425 nan 8.190 nan 0.000 0.447 76 D N -0.827 119.569 120.400 -0.006 0.000 2.144 76 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 76 D C 1.570 177.868 176.300 -0.003 0.000 0.984 76 D CA 0.771 54.768 54.000 -0.005 0.000 0.834 76 D CB -0.148 40.650 40.800 -0.004 0.000 0.955 76 D HN 0.554 nan 8.370 nan 0.000 0.465 80 A N 1.374 124.194 122.820 -0.000 0.000 1.948 80 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 80 A C 1.937 179.521 177.584 0.001 0.000 1.177 80 A CA 1.727 53.764 52.037 0.000 0.000 0.636 80 A CB -0.580 18.420 19.000 -0.000 0.000 0.815 80 A HN 0.290 nan 8.150 nan 0.000 0.449 81 R N -1.335 119.166 120.500 0.002 0.000 2.313 81 R HA 0.227 4.567 4.340 -0.000 0.000 0.199 81 R C 1.218 177.521 176.300 0.004 0.000 0.958 81 R CA 0.527 56.629 56.100 0.003 0.000 1.047 81 R CB -0.202 30.101 30.300 0.004 0.000 0.955 81 R HN 0.717 nan 8.270 nan 0.000 0.481 82 G N 0.679 109.481 108.800 0.003 0.000 2.143 82 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 82 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 82 G C 0.553 175.456 174.900 0.006 0.000 0.991 82 G CA 0.085 45.188 45.100 0.004 0.000 0.689 82 G HN 0.315 nan 8.290 nan 0.000 0.522 83 L N -1.326 119.901 121.223 0.007 0.000 2.416 83 L HA 0.450 4.790 4.340 -0.000 0.000 0.216 83 L C 0.946 177.820 176.870 0.006 0.000 1.098 83 L CA 0.361 55.207 54.840 0.009 0.000 0.840 83 L CB 0.402 42.469 42.059 0.013 0.000 0.981 83 L HN 0.179 nan 8.230 nan 0.000 0.462 84 V N -1.330 118.586 119.914 0.002 0.000 3.012 84 V HA 0.480 4.600 4.120 -0.000 0.000 0.307 84 V C -0.822 175.271 176.094 -0.003 0.000 1.166 84 V CA -0.416 61.883 62.300 -0.002 0.000 0.974 84 V CB 2.666 34.485 31.823 -0.006 0.000 1.040 84 V HN 0.029 nan 8.190 nan 0.000 0.428 85 T N 3.704 118.256 114.554 -0.004 0.000 2.883 85 T HA 0.595 4.945 4.350 -0.000 0.000 0.301 85 T C -0.792 173.905 174.700 -0.005 0.000 1.158 85 T CA -0.613 61.485 62.100 -0.004 0.000 1.007 85 T CB 1.633 70.500 68.868 -0.002 0.000 1.186 85 T HN 0.633 nan 8.240 nan 0.000 0.499 86 R N 1.616 122.113 120.500 -0.005 0.000 2.357 86 R HA 0.551 4.891 4.340 -0.000 0.000 0.296 86 R C -0.567 175.730 176.300 -0.005 0.000 1.052 86 R CA -0.473 55.624 56.100 -0.006 0.000 0.988 86 R CB 1.009 31.306 30.300 -0.005 0.000 1.025 86 R HN 0.395 nan 8.270 nan 0.000 0.469 87 V N 4.280 124.191 119.914 -0.006 0.000 2.427 87 V HA 0.176 4.296 4.120 -0.000 0.000 0.268 87 V C 0.792 176.883 176.094 -0.004 0.000 1.046 87 V CA -0.253 62.044 62.300 -0.005 0.000 0.970 87 V CB 0.714 32.534 31.823 -0.006 0.000 1.001 87 V HN 0.953 nan 8.190 nan 0.000 0.476 96 V N 5.729 125.639 119.914 -0.006 0.000 2.333 96 V HA 0.609 4.729 4.120 -0.000 0.000 0.274 96 V C -0.052 176.037 176.094 -0.009 0.000 1.028 96 V CA -0.420 61.876 62.300 -0.007 0.000 0.851 96 V CB 1.271 33.090 31.823 -0.007 0.000 1.000 96 V HN 0.565 nan 8.190 nan 0.000 0.456 97 R N 3.601 124.096 120.500 -0.009 0.000 2.628 97 R HA 0.710 5.050 4.340 -0.000 0.000 0.288 97 R C -1.476 174.818 176.300 -0.011 0.000 0.980 97 R CA -0.696 55.398 56.100 -0.011 0.000 0.891 97 R CB 2.587 32.881 30.300 -0.010 0.000 1.188 97 R HN 0.428 nan 8.270 nan 0.000 0.450 98 V N 3.528 123.434 119.914 -0.014 0.000 2.581 98 V HA 0.566 4.686 4.120 -0.000 0.000 0.303 98 V C 0.146 176.231 176.094 -0.015 0.000 1.041 98 V CA -0.756 61.535 62.300 -0.014 0.000 0.907 98 V CB 1.948 33.761 31.823 -0.017 0.000 0.994 98 V HN 0.772 nan 8.190 nan 0.000 0.442 99 R N 3.809 124.302 120.500 -0.012 0.000 2.888 99 R HA 0.780 5.120 4.340 -0.000 0.000 0.264 99 R C -1.456 174.839 176.300 -0.008 0.000 1.045 99 R CA -1.003 55.090 56.100 -0.011 0.000 0.962 99 R CB 1.421 31.716 30.300 -0.008 0.000 1.210 99 R HN 0.479 nan 8.270 nan 0.000 0.479 100 L N 1.593 122.812 121.223 -0.007 0.000 2.417 100 L HA 0.266 4.606 4.340 -0.000 0.000 0.268 100 L C 0.837 177.708 176.870 0.002 0.000 1.158 100 L CA -0.443 54.396 54.840 -0.001 0.000 0.819 100 L CB 1.297 43.357 42.059 0.002 0.000 1.112 100 L HN 0.903 nan 8.230 nan 0.000 0.458 101 T N -2.826 111.730 114.554 0.004 0.000 2.770 101 T HA 0.096 4.446 4.350 -0.000 0.000 0.281 101 T C 0.743 175.448 174.700 0.008 0.000 0.981 101 T CA -0.770 61.333 62.100 0.005 0.000 0.955 101 T CB 0.835 69.707 68.868 0.006 0.000 1.060 101 T HN 0.510 nan 8.240 nan 0.000 0.531 102 D N 0.463 120.868 120.400 0.008 0.000 2.123 102 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 102 D C 1.702 178.010 176.300 0.013 0.000 0.992 102 D CA 1.290 55.296 54.000 0.010 0.000 0.833 102 D CB -0.337 40.468 40.800 0.008 0.000 0.954 102 D HN 0.573 nan 8.370 nan 0.000 0.455 103 D N 0.020 120.428 120.400 0.012 0.000 2.117 103 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 103 D C 2.209 178.522 176.300 0.021 0.000 0.982 103 D CA 1.311 55.320 54.000 0.015 0.000 0.828 103 D CB -0.660 40.147 40.800 0.012 0.000 0.967 103 D HN 0.279 nan 8.370 nan 0.000 0.464 104 G N 0.529 109.341 108.800 0.019 0.000 2.422 104 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 104 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 104 G C 1.725 176.644 174.900 0.031 0.000 1.146 104 G CA 0.652 45.767 45.100 0.025 0.000 0.769 104 G HN 0.221 nan 8.290 nan 0.000 0.547 105 R N 0.364 120.879 120.500 0.025 0.000 2.073 105 R HA 0.137 4.477 4.340 -0.000 0.000 0.229 105 R C 2.882 179.204 176.300 0.037 0.000 1.120 105 R CA 1.352 57.469 56.100 0.028 0.000 0.967 105 R CB -0.363 29.949 30.300 0.020 0.000 0.862 105 R HN 0.249 nan 8.270 nan 0.000 0.436 106 A N 0.870 123.709 122.820 0.032 0.000 1.940 106 A HA -0.166 4.153 4.320 -0.000 0.000 0.219 106 A C 1.983 179.595 177.584 0.047 0.000 1.176 106 A CA 1.210 53.267 52.037 0.034 0.000 0.631 106 A CB -0.563 18.452 19.000 0.025 0.000 0.814 106 A HN 0.362 nan 8.150 nan 0.000 0.446 107 L N -0.417 120.837 121.223 0.051 0.000 2.027 107 L HA 0.010 4.350 4.340 -0.000 0.000 0.206 107 L C 2.761 179.697 176.870 0.110 0.000 1.074 107 L CA 2.013 56.895 54.840 0.070 0.000 0.745 107 L CB -0.933 41.164 42.059 0.064 0.000 0.898 107 L HN 0.350 nan 8.230 nan 0.000 0.433 108 A N -0.881 122.003 122.820 0.107 0.000 1.908 108 A HA -0.267 4.052 4.320 -0.000 0.000 0.218 108 A C 2.211 179.886 177.584 0.152 0.000 1.181 108 A CA 1.971 54.093 52.037 0.142 0.000 0.627 108 A CB -0.677 18.373 19.000 0.082 0.000 0.818 108 A HN 0.567 nan 8.150 nan 0.000 0.445 109 E N -0.713 119.547 120.200 0.101 0.000 2.058 109 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 109 E C 2.355 179.018 176.600 0.105 0.000 0.997 109 E CA 1.341 57.795 56.400 0.090 0.000 0.801 109 E CB -0.163 29.573 29.700 0.060 0.000 0.746 109 E HN 0.625 nan 8.360 nan 0.000 0.450 110 S N 0.172 115.931 115.700 0.098 0.000 2.356 110 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 110 S C 1.956 176.634 174.600 0.131 0.000 1.032 110 S CA 0.929 59.182 58.200 0.088 0.000 1.005 110 S CB -0.123 63.113 63.200 0.061 0.000 0.867 110 S HN 0.146 nan 8.310 nan 0.000 0.449 111 L N 0.889 122.228 121.223 0.192 0.000 2.109 111 L HA 0.025 4.364 4.340 -0.000 0.000 0.207 111 L C 2.508 179.583 176.870 0.341 0.000 1.086 111 L CA 0.639 55.639 54.840 0.266 0.000 0.760 111 L CB -0.446 41.818 42.059 0.342 0.000 0.910 111 L HN 0.197 nan 8.230 nan 0.000 0.437 112 V N 0.024 120.171 119.914 0.388 0.000 2.407 112 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 112 V C 2.768 178.967 176.094 0.174 0.000 1.055 112 V CA 1.642 64.151 62.300 0.348 0.000 1.049 112 V CB -0.889 31.097 31.823 0.271 0.000 0.662 112 V HN 0.474 nan 8.190 nan 0.000 0.455 113 A N -0.228 122.675 122.820 0.138 0.000 1.884 113 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 113 A C 2.511 180.152 177.584 0.095 0.000 1.197 113 A CA 2.659 54.751 52.037 0.092 0.000 0.637 113 A CB -1.007 18.038 19.000 0.075 0.000 0.827 113 A HN 0.498 nan 8.150 nan 0.000 0.450 114 S N -0.475 115.316 115.700 0.151 0.000 2.365 114 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 114 S C 2.332 177.009 174.600 0.128 0.000 1.039 114 S CA 1.448 59.803 58.200 0.260 0.000 1.033 114 S CB -0.620 62.867 63.200 0.478 0.000 0.887 114 S HN 0.870 nan 8.310 nan 0.000 0.447 115 A N 2.244 124.961 122.820 -0.171 0.000 1.873 115 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 115 A C 2.175 179.620 177.584 -0.231 0.000 1.193 115 A CA 1.485 53.124 52.037 -0.663 0.000 0.629 115 A CB -0.551 18.151 19.000 -0.498 0.000 0.826 115 A HN 0.373 nan 8.150 nan 0.000 0.447 116 R N -0.671 119.791 120.500 -0.064 0.000 2.096 116 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 116 R C 2.490 178.777 176.300 -0.022 0.000 1.127 116 R CA 1.277 57.361 56.100 -0.027 0.000 0.968 116 R CB -0.845 29.460 30.300 0.008 0.000 0.861 116 R HN 0.552 nan 8.270 nan 0.000 0.440 117 A N 0.686 123.503 122.820 -0.004 0.000 1.883 117 A HA -0.215 4.104 4.320 -0.000 0.000 0.217 117 A C 1.872 179.422 177.584 -0.055 0.000 1.186 117 A CA 1.670 53.693 52.037 -0.023 0.000 0.624 117 A CB -0.817 18.174 19.000 -0.015 0.000 0.822 117 A HN 0.372 nan 8.150 nan 0.000 0.444 118 H N -1.065 117.967 119.070 -0.063 0.000 2.387 118 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 118 H C 2.136 177.405 175.328 -0.099 0.000 1.090 118 H CA 1.670 57.668 56.048 -0.084 0.000 1.332 118 H CB 0.060 29.750 29.762 -0.120 0.000 1.386 118 H HN 0.666 nan 8.280 nan 0.000 0.516 119 E N -0.300 119.897 120.200 -0.005 0.000 2.077 119 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 119 E C 1.766 178.354 176.600 -0.020 0.000 0.989 119 E CA 1.522 57.905 56.400 -0.029 0.000 0.800 119 E CB 0.122 29.794 29.700 -0.047 0.000 0.746 119 E HN 0.412 nan 8.360 nan 0.000 0.452 120 T N 0.405 114.945 114.554 -0.022 0.000 2.746 120 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 120 T C 1.842 176.527 174.700 -0.025 0.000 1.039 120 T CA 1.134 63.221 62.100 -0.022 0.000 1.142 120 T CB -0.133 68.721 68.868 -0.023 0.000 0.866 120 T HN 0.163 nan 8.240 nan 0.000 0.444 121 R N 0.274 120.754 120.500 -0.034 0.000 2.096 121 R HA 0.070 4.410 4.340 -0.000 0.000 0.235 121 R C 2.466 178.754 176.300 -0.020 0.000 1.127 121 R CA 0.931 57.011 56.100 -0.035 0.000 0.968 121 R CB -0.444 29.821 30.300 -0.058 0.000 0.861 121 R HN 0.329 nan 8.270 nan 0.000 0.440 122 L N 0.625 121.841 121.223 -0.011 0.000 2.027 122 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 122 L C 2.121 178.982 176.870 -0.014 0.000 1.074 122 L CA 1.362 56.196 54.840 -0.010 0.000 0.745 122 L CB -0.132 41.922 42.059 -0.008 0.000 0.898 122 L HN 0.251 nan 8.230 nan 0.000 0.433 123 L N -1.364 119.850 121.223 -0.015 0.000 2.201 123 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 123 L C 2.737 179.598 176.870 -0.014 0.000 1.105 123 L CA 0.935 55.766 54.840 -0.015 0.000 0.775 123 L CB -0.413 41.638 42.059 -0.015 0.000 0.913 123 L HN 0.248 nan 8.230 nan 0.000 0.440 124 S N 0.191 115.883 115.700 -0.014 0.000 2.355 124 S HA -0.160 4.310 4.470 -0.000 0.000 0.222 124 S C 2.140 176.733 174.600 -0.012 0.000 1.031 124 S CA 1.188 59.380 58.200 -0.014 0.000 0.993 124 S CB -0.105 63.086 63.200 -0.016 0.000 0.859 124 S HN 0.420 nan 8.310 nan 0.000 0.453 125 A N 0.777 123.590 122.820 -0.013 0.000 2.125 125 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 125 A C 1.894 179.471 177.584 -0.011 0.000 1.156 125 A CA 0.966 52.996 52.037 -0.012 0.000 0.671 125 A CB -0.502 18.491 19.000 -0.012 0.000 0.794 125 A HN 0.612 nan 8.150 nan 0.000 0.459 126 L N -1.699 119.517 121.223 -0.012 0.000 2.607 126 L HA 0.141 4.481 4.340 -0.000 0.000 0.228 126 L C 2.495 179.359 176.870 -0.010 0.000 1.123 126 L CA 0.529 55.362 54.840 -0.012 0.000 0.890 126 L CB -0.166 41.885 42.059 -0.014 0.000 1.103 126 L HN 0.373 nan 8.230 nan 0.000 0.468 127 A N 0.493 123.307 122.820 -0.010 0.000 2.119 127 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 127 A C 1.355 178.935 177.584 -0.007 0.000 1.153 127 A CA 1.289 53.321 52.037 -0.008 0.000 0.692 127 A CB -0.260 18.735 19.000 -0.008 0.000 0.799 127 A HN 0.522 nan 8.150 nan 0.000 0.458 128 D N -0.082 120.314 120.400 -0.007 0.000 2.491 128 D HA 0.076 4.715 4.640 -0.000 0.000 0.228 128 D C 0.420 176.717 176.300 -0.005 0.000 1.183 128 D CA 0.663 54.660 54.000 -0.006 0.000 0.827 128 D CB -0.599 40.197 40.800 -0.005 0.000 0.989 128 D HN 0.361 nan 8.370 nan 0.000 0.494 129 T N -3.678 110.873 114.554 -0.006 0.000 2.831 129 T HA 0.240 4.590 4.350 -0.000 0.000 0.287 129 T C 0.492 175.188 174.700 -0.006 0.000 1.070 129 T CA -0.612 61.485 62.100 -0.006 0.000 1.010 129 T CB 1.890 70.754 68.868 -0.007 0.000 1.264 129 T HN -0.341 nan 8.240 nan 0.000 0.532 130 D N 0.737 121.134 120.400 -0.005 0.000 2.221 130 D HA 0.004 4.644 4.640 -0.000 0.000 0.204 130 D C 1.852 178.147 176.300 -0.008 0.000 0.982 130 D CA 1.525 55.522 54.000 -0.006 0.000 0.857 130 D CB -0.536 40.261 40.800 -0.005 0.000 0.934 130 D HN 0.755 nan 8.370 nan 0.000 0.475 131 A N 0.183 122.997 122.820 -0.010 0.000 2.278 131 A HA 0.405 4.724 4.320 -0.000 0.000 0.212 131 A C 2.102 179.678 177.584 -0.012 0.000 1.213 131 A CA 0.763 52.792 52.037 -0.013 0.000 0.840 131 A CB -0.203 18.788 19.000 -0.016 0.000 0.866 131 A HN 0.156 nan 8.150 nan 0.000 0.489 132 A N 0.393 123.207 122.820 -0.010 0.000 1.908 132 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 132 A C 1.815 179.393 177.584 -0.010 0.000 1.181 132 A CA 1.403 53.434 52.037 -0.010 0.000 0.627 132 A CB -0.231 18.764 19.000 -0.008 0.000 0.818 132 A HN 0.344 nan 8.150 nan 0.000 0.445 133 R N -0.281 120.213 120.500 -0.009 0.000 3.081 133 R HA 0.391 4.731 4.340 -0.000 0.000 0.280 133 R C 1.140 177.433 176.300 -0.011 0.000 1.372 133 R CA -0.118 55.976 56.100 -0.009 0.000 1.242 133 R CB -0.764 29.531 30.300 -0.008 0.000 1.316 133 R HN 0.696 nan 8.270 nan 0.000 0.585 134 I N 0.314 120.876 120.570 -0.014 0.000 2.151 134 I HA -0.423 3.747 4.170 -0.000 0.000 0.243 134 I C 1.526 177.633 176.117 -0.016 0.000 1.080 134 I CA 1.665 62.955 61.300 -0.017 0.000 1.339 134 I CB 0.151 38.139 38.000 -0.020 0.000 1.039 134 I HN 0.288 nan 8.210 nan 0.000 0.409 135 K N 0.324 120.715 120.400 -0.014 0.000 2.044 135 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 135 K C 2.014 178.608 176.600 -0.011 0.000 1.049 135 K CA 1.685 57.965 56.287 -0.013 0.000 0.927 135 K CB -0.657 31.837 32.500 -0.011 0.000 0.713 135 K HN 0.594 nan 8.250 nan 0.000 0.443 136 G N 0.937 109.731 108.800 -0.010 0.000 2.421 136 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 136 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 136 G C 1.598 176.492 174.900 -0.010 0.000 1.171 136 G CA 0.904 45.999 45.100 -0.009 0.000 0.775 136 G HN 0.108 nan 8.290 nan 0.000 0.543 137 V N 1.259 121.167 119.914 -0.011 0.000 2.252 137 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 137 V C 2.964 179.050 176.094 -0.014 0.000 1.056 137 V CA 1.943 64.235 62.300 -0.013 0.000 1.022 137 V CB -0.644 31.170 31.823 -0.015 0.000 0.641 137 V HN 0.370 nan 8.190 nan 0.000 0.445 138 L N -0.857 120.356 121.223 -0.017 0.000 2.042 138 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 138 L C 2.796 179.657 176.870 -0.014 0.000 1.076 138 L CA 1.743 56.572 54.840 -0.018 0.000 0.749 138 L CB -0.722 41.325 42.059 -0.020 0.000 0.893 138 L HN 0.240 nan 8.230 nan 0.000 0.432 139 R N -0.461 120.032 120.500 -0.012 0.000 2.096 139 R HA -0.175 4.165 4.340 -0.000 0.000 0.240 139 R C 2.325 178.620 176.300 -0.009 0.000 1.139 139 R CA 2.174 58.268 56.100 -0.010 0.000 0.952 139 R CB -0.760 29.535 30.300 -0.008 0.000 0.854 139 R HN 0.376 nan 8.270 nan 0.000 0.436 140 T N 1.764 116.313 114.554 -0.009 0.000 2.708 140 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 140 T C 1.751 176.447 174.700 -0.007 0.000 1.037 140 T CA 1.262 63.357 62.100 -0.007 0.000 1.146 140 T CB -0.294 68.570 68.868 -0.007 0.000 0.865 140 T HN 0.128 nan 8.240 nan 0.000 0.435 141 L N 1.202 122.419 121.223 -0.010 0.000 2.013 141 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 141 L C 2.185 179.049 176.870 -0.010 0.000 1.073 141 L CA 1.688 56.521 54.840 -0.011 0.000 0.753 141 L CB -0.893 41.155 42.059 -0.017 0.000 0.890 141 L HN 0.249 nan 8.230 nan 0.000 0.432 142 L N -0.469 120.748 121.223 -0.010 0.000 2.079 142 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 142 L C 2.239 179.105 176.870 -0.006 0.000 1.081 142 L CA 1.506 56.340 54.840 -0.009 0.000 0.752 142 L CB -0.831 41.222 42.059 -0.009 0.000 0.896 142 L HN 0.347 nan 8.230 nan 0.000 0.433 143 D N -0.737 119.659 120.400 -0.006 0.000 2.144 143 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 143 D C 2.299 178.597 176.300 -0.003 0.000 0.978 143 D CA 0.887 54.885 54.000 -0.004 0.000 0.833 143 D CB -0.128 40.669 40.800 -0.004 0.000 0.961 143 D HN 0.089 nan 8.370 nan 0.000 0.470 144 V N 0.867 120.779 119.914 -0.002 0.000 2.307 144 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 144 V C 2.418 178.512 176.094 0.000 0.000 1.045 144 V CA 0.991 63.291 62.300 -0.000 0.000 1.024 144 V CB -0.421 31.401 31.823 -0.000 0.000 0.651 144 V HN 0.210 nan 8.190 nan 0.000 0.449 145 L N 0.071 121.293 121.223 -0.001 0.000 2.642 145 L HA -0.073 4.267 4.340 -0.000 0.000 0.236 145 L C 0.964 177.835 176.870 0.001 0.000 1.169 145 L CA 0.554 55.394 54.840 0.000 0.000 0.851 145 L CB -0.422 41.636 42.059 -0.002 0.000 0.968 145 L HN 0.429 nan 8.230 nan 0.000 0.453 146 D N 0.000 120.400 120.400 -0.000 0.000 6.856 146 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 146 D CA 0.000 54.000 54.000 0.000 0.000 0.868 146 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 146 D HN 0.000 nan 8.370 nan 0.000 0.683