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 2q78_1_B DATA FIRST_RESID 0 DATA SEQUENCE HXXDFDFLEG KRLTEDVALD ETXVWNEDIE XLDLHLVATS ALIGVVHRVS DATA SEQUENCE YELLSRYLPN DYTAVVVETL ARHVKAVPTG TRVAVGVRVV GVVGNRVKFR DATA SEQUENCE GIVXSGDEKI LEAEFVRAIV PREKLRRLAL E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.423 175.328 0.158 0.000 0.993 0 H CA 0.000 56.161 56.048 0.188 0.000 1.023 0 H CB 0.000 29.883 29.762 0.202 0.000 1.292 4 F N 1.448 121.427 119.950 0.048 0.000 2.654 4 F HA 0.258 4.785 4.527 -0.000 0.000 0.303 4 F C 1.526 177.153 175.800 -0.288 0.000 1.099 4 F CA -0.460 57.472 58.000 -0.113 0.000 1.270 4 F CB 0.395 39.273 39.000 -0.202 0.000 1.024 4 F HN 0.324 nan 8.300 nan 0.000 0.548 5 D N 0.589 121.008 120.400 0.032 0.000 2.221 5 D HA -0.216 4.424 4.640 -0.000 0.000 0.204 5 D C 2.137 178.403 176.300 -0.057 0.000 0.982 5 D CA 1.289 55.274 54.000 -0.025 0.000 0.857 5 D CB -0.443 40.364 40.800 0.010 0.000 0.934 5 D HN 0.440 nan 8.370 nan 0.000 0.475 6 F N -0.204 119.718 119.950 -0.046 0.000 2.408 6 F HA -0.001 4.526 4.527 0.000 0.000 0.300 6 F C 1.725 177.459 175.800 -0.110 0.000 1.090 6 F CA 0.493 58.451 58.000 -0.071 0.000 1.427 6 F CB -0.774 38.189 39.000 -0.061 0.000 1.070 6 F HN -0.104 nan 8.300 nan 0.000 0.549 7 L N 0.470 121.227 121.223 -0.777 0.000 2.376 7 L HA -0.038 4.302 4.340 -0.000 0.000 0.219 7 L C 1.336 177.982 176.870 -0.372 0.000 1.133 7 L CA 0.509 54.969 54.840 -0.633 0.000 0.816 7 L CB -0.669 41.008 42.059 -0.636 0.000 0.933 7 L HN 0.233 nan 8.230 nan 0.000 0.449 8 E N 0.404 120.438 120.200 -0.276 0.000 2.415 8 E HA 0.078 4.428 4.350 -0.000 0.000 0.263 8 E C 1.078 177.577 176.600 -0.169 0.000 0.995 8 E CA 0.730 57.002 56.400 -0.213 0.000 0.915 8 E CB 0.411 30.020 29.700 -0.151 0.000 0.951 8 E HN 0.314 nan 8.360 nan 0.000 0.449 9 G N 4.065 112.769 108.800 -0.160 0.000 2.205 9 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.261 9 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.261 9 G C 0.095 174.932 174.900 -0.105 0.000 0.980 9 G CA 0.316 45.349 45.100 -0.112 0.000 0.632 9 G HN 0.525 nan 8.290 nan 0.000 0.533 10 K N 0.629 120.940 120.400 -0.148 0.000 2.326 10 K HA 0.512 4.832 4.320 -0.000 0.000 0.275 10 K C 0.628 177.207 176.600 -0.035 0.000 1.018 10 K CA 0.163 56.376 56.287 -0.123 0.000 0.962 10 K CB 0.583 32.944 32.500 -0.232 0.000 0.953 10 K HN 0.391 nan 8.250 nan 0.000 0.475 11 R N 1.290 121.799 120.500 0.015 0.000 2.837 11 R HA 0.614 4.954 4.340 -0.000 0.000 0.271 11 R C -1.407 174.946 176.300 0.088 0.000 0.993 11 R CA -1.099 55.036 56.100 0.058 0.000 0.931 11 R CB 1.354 31.677 30.300 0.039 0.000 1.206 11 R HN 0.299 nan 8.270 nan 0.000 0.474 12 L N -0.063 121.218 121.223 0.097 0.000 2.513 12 L HA 0.513 4.853 4.340 -0.000 0.000 0.261 12 L C -1.503 175.412 176.870 0.075 0.000 0.945 12 L CA 0.087 54.981 54.840 0.091 0.000 0.848 12 L CB 2.817 44.940 42.059 0.107 0.000 1.334 12 L HN 0.647 nan 8.230 nan 0.000 0.407 13 T N 3.347 117.937 114.554 0.060 0.000 2.876 13 T HA 0.657 5.007 4.350 -0.000 0.000 0.289 13 T C -1.399 173.326 174.700 0.041 0.000 1.014 13 T CA -0.505 61.624 62.100 0.048 0.000 0.986 13 T CB 1.906 70.798 68.868 0.041 0.000 1.021 13 T HN 0.642 nan 8.240 nan 0.000 0.458 14 E N 1.277 121.498 120.200 0.034 0.000 2.331 14 E HA 0.317 4.667 4.350 -0.000 0.000 0.275 14 E C -1.813 174.799 176.600 0.019 0.000 0.895 14 E CA -0.675 55.742 56.400 0.027 0.000 0.753 14 E CB 1.916 31.632 29.700 0.027 0.000 1.216 14 E HN 0.534 nan 8.360 nan 0.000 0.434 15 D N 2.567 122.977 120.400 0.017 0.000 2.316 15 D HA 0.299 4.939 4.640 -0.000 0.000 0.245 15 D C -1.283 175.022 176.300 0.009 0.000 1.171 15 D CA -0.117 53.891 54.000 0.013 0.000 0.856 15 D CB 0.959 41.767 40.800 0.013 0.000 1.090 15 D HN 0.059 nan 8.370 nan 0.000 0.476 16 V N 3.053 122.970 119.914 0.005 0.000 2.540 16 V HA 0.669 4.789 4.120 -0.000 0.000 0.302 16 V C 0.276 176.371 176.094 0.001 0.000 1.035 16 V CA -1.225 61.075 62.300 0.001 0.000 0.873 16 V CB 1.569 33.388 31.823 -0.007 0.000 0.992 16 V HN 0.736 nan 8.190 nan 0.000 0.428 17 A N 5.686 128.507 122.820 0.002 0.000 2.409 17 A HA 0.672 4.992 4.320 -0.000 0.000 0.262 17 A C -0.285 177.301 177.584 0.004 0.000 1.113 17 A CA -0.259 51.781 52.037 0.005 0.000 0.790 17 A CB 0.027 19.029 19.000 0.005 0.000 1.046 17 A HN 0.831 nan 8.150 nan 0.000 0.496 18 L N 3.418 124.648 121.223 0.012 0.000 2.260 18 L HA 0.319 4.659 4.340 -0.000 0.000 0.289 18 L C -0.131 176.753 176.870 0.023 0.000 1.057 18 L CA -0.644 54.206 54.840 0.016 0.000 0.811 18 L CB 0.565 42.641 42.059 0.028 0.000 1.184 18 L HN 0.917 nan 8.230 nan 0.000 0.429 19 D N 1.235 121.643 120.400 0.013 0.000 2.569 19 D HA 0.136 4.776 4.640 -0.000 0.000 0.266 19 D C 0.944 177.250 176.300 0.009 0.000 1.164 19 D CA -0.713 53.290 54.000 0.006 0.000 1.071 19 D CB 0.598 41.396 40.800 -0.004 0.000 1.183 19 D HN 0.456 nan 8.370 nan 0.000 0.613 20 E N -0.248 119.948 120.200 -0.007 0.000 2.204 20 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 20 E C 0.740 177.342 176.600 0.003 0.000 0.990 20 E CA 1.129 57.522 56.400 -0.011 0.000 0.821 20 E CB -1.370 28.311 29.700 -0.031 0.000 0.750 20 E HN 0.639 nan 8.360 nan 0.000 0.477 24 W N 5.854 127.177 121.300 0.037 0.000 2.388 24 W HA 0.560 5.220 4.660 -0.001 0.000 0.308 24 W C 0.520 177.052 176.519 0.022 0.000 1.263 24 W CA -0.484 56.877 57.345 0.026 0.000 1.286 24 W CB 0.823 30.297 29.460 0.024 0.000 1.294 24 W HN 0.802 nan 8.180 nan 0.000 0.493 25 N N 2.448 120.955 118.700 -0.322 0.000 2.241 25 N HA -0.006 4.734 4.740 -0.000 0.000 0.238 25 N C 0.591 175.826 175.510 -0.458 0.000 1.244 25 N CA -0.118 52.685 53.050 -0.412 0.000 0.880 25 N CB -0.256 38.130 38.487 -0.168 0.000 1.179 25 N HN 0.585 nan 8.380 nan 0.000 0.513 26 E N 0.064 119.921 120.200 -0.572 0.000 2.110 26 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 26 E C -0.356 176.051 176.600 -0.322 0.000 0.988 26 E CA 1.043 57.283 56.400 -0.268 0.000 0.804 26 E CB 0.054 29.794 29.700 0.067 0.000 0.745 26 E HN 0.332 nan 8.360 nan 0.000 0.458 27 D N -0.078 119.945 120.400 -0.629 0.000 2.441 27 D HA 0.052 4.692 4.640 -0.000 0.000 0.231 27 D C 0.784 176.858 176.300 -0.376 0.000 1.073 27 D CA -0.340 53.407 54.000 -0.422 0.000 0.850 27 D CB 0.716 41.259 40.800 -0.428 0.000 1.062 27 D HN -0.144 nan 8.370 nan 0.000 0.524 28 I N 2.130 122.569 120.570 -0.218 0.000 2.567 28 I HA -0.113 4.057 4.170 -0.000 0.000 0.257 28 I C 1.124 177.161 176.117 -0.132 0.000 1.184 28 I CA 0.839 62.041 61.300 -0.164 0.000 1.451 28 I CB -0.999 36.939 38.000 -0.104 0.000 1.089 28 I HN 0.423 nan 8.210 nan 0.000 0.441 32 D N 1.865 122.273 120.400 0.014 0.000 2.263 32 D HA -0.155 4.485 4.640 -0.000 0.000 0.208 32 D C 1.740 178.094 176.300 0.090 0.000 0.971 32 D CA 1.180 55.217 54.000 0.063 0.000 0.867 32 D CB -0.105 40.715 40.800 0.033 0.000 0.929 32 D HN 0.423 nan 8.370 nan 0.000 0.492 33 L N -0.151 121.084 121.223 0.019 0.000 2.395 33 L HA -0.026 4.314 4.340 -0.000 0.000 0.218 33 L C 0.213 176.910 176.870 -0.288 0.000 1.130 33 L CA 0.530 55.309 54.840 -0.102 0.000 0.826 33 L CB -1.179 40.873 42.059 -0.013 0.000 0.941 33 L HN 0.222 nan 8.230 nan 0.000 0.451 34 H N -1.760 117.348 119.070 0.063 0.000 2.415 34 H HA -0.196 4.360 4.556 0.000 0.000 0.323 34 H C -0.354 175.042 175.328 0.113 0.000 1.035 34 H CA -0.163 55.928 56.048 0.072 0.000 1.098 34 H CB -2.500 27.286 29.762 0.040 0.000 1.575 34 H HN 0.220 nan 8.280 nan 0.000 0.387 35 L N 0.598 121.926 121.223 0.175 0.000 2.456 35 L HA 0.191 4.530 4.340 -0.000 0.000 0.272 35 L C 1.086 178.092 176.870 0.227 0.000 1.189 35 L CA -0.405 54.543 54.840 0.181 0.000 0.846 35 L CB 0.738 42.940 42.059 0.239 0.000 1.111 35 L HN 0.394 nan 8.230 nan 0.000 0.475 36 V N 3.607 123.617 119.914 0.160 0.000 2.637 36 V HA 0.294 4.414 4.120 -0.000 0.000 0.296 36 V C 0.730 176.920 176.094 0.161 0.000 1.046 36 V CA -0.423 61.962 62.300 0.141 0.000 1.066 36 V CB 1.288 33.158 31.823 0.079 0.000 0.968 36 V HN 0.890 nan 8.190 nan 0.000 0.483 37 A N 5.022 127.932 122.820 0.149 0.000 2.351 37 A HA 0.408 4.728 4.320 -0.000 0.000 0.257 37 A C 1.307 178.922 177.584 0.052 0.000 1.087 37 A CA 0.439 52.551 52.037 0.124 0.000 0.798 37 A CB 0.422 19.514 19.000 0.153 0.000 1.033 37 A HN 0.992 nan 8.150 nan 0.000 0.488 38 T N 1.333 115.921 114.554 0.057 0.000 2.708 38 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 38 T C 2.301 176.947 174.700 -0.090 0.000 1.037 38 T CA 2.250 64.354 62.100 0.006 0.000 1.146 38 T CB -0.433 68.501 68.868 0.110 0.000 0.865 38 T HN 1.012 nan 8.240 nan 0.000 0.435 39 S N 2.137 117.808 115.700 -0.049 0.000 2.399 39 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 39 S C 2.406 176.940 174.600 -0.110 0.000 1.022 39 S CA 0.960 59.114 58.200 -0.077 0.000 0.983 39 S CB -0.663 62.518 63.200 -0.031 0.000 0.803 39 S HN 0.515 nan 8.310 nan 0.000 0.480 40 A N 2.142 124.918 122.820 -0.074 0.000 1.877 40 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 40 A C 2.343 179.847 177.584 -0.134 0.000 1.186 40 A CA 1.351 53.340 52.037 -0.080 0.000 0.620 40 A CB -0.872 18.112 19.000 -0.028 0.000 0.822 40 A HN 0.525 nan 8.150 nan 0.000 0.443 41 L N -0.583 120.542 121.223 -0.164 0.000 2.083 41 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 41 L C 2.501 179.204 176.870 -0.277 0.000 1.083 41 L CA 1.227 55.938 54.840 -0.214 0.000 0.752 41 L CB -0.514 41.366 42.059 -0.299 0.000 0.899 41 L HN 0.405 nan 8.230 nan 0.000 0.433 42 I N -0.262 120.109 120.570 -0.332 0.000 2.163 42 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 42 I C 2.642 178.335 176.117 -0.706 0.000 1.085 42 I CA 1.500 62.479 61.300 -0.535 0.000 1.347 42 I CB -0.883 36.823 38.000 -0.490 0.000 1.044 42 I HN 0.282 nan 8.210 nan 0.000 0.408 43 G N 0.462 108.998 108.800 -0.440 0.000 2.469 43 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 43 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 43 G C 1.715 176.482 174.900 -0.221 0.000 1.150 43 G CA 1.074 45.999 45.100 -0.291 0.000 0.763 43 G HN 0.261 nan 8.290 nan 0.000 0.561 44 V N 0.255 120.051 119.914 -0.198 0.000 2.343 44 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 44 V C 3.034 179.046 176.094 -0.137 0.000 1.051 44 V CA 1.529 63.750 62.300 -0.132 0.000 1.036 44 V CB -0.267 31.491 31.823 -0.109 0.000 0.654 44 V HN 0.263 nan 8.190 nan 0.000 0.451 45 V N -0.417 119.368 119.914 -0.214 0.000 2.307 45 V HA -0.290 3.829 4.120 -0.000 0.000 0.245 45 V C 2.228 178.189 176.094 -0.222 0.000 1.045 45 V CA 2.275 64.460 62.300 -0.191 0.000 1.024 45 V CB -0.923 30.760 31.823 -0.233 0.000 0.651 45 V HN 0.663 nan 8.190 nan 0.000 0.449 46 H N -0.386 118.396 119.070 -0.479 0.000 2.319 46 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 46 H C 2.639 177.844 175.328 -0.205 0.000 1.097 46 H CA 1.727 57.491 56.048 -0.473 0.000 1.285 46 H CB -0.015 29.514 29.762 -0.388 0.000 1.368 46 H HN 0.219 nan 8.280 nan 0.000 0.495 47 R N 0.829 121.325 120.500 -0.007 0.000 2.103 47 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 47 R C 2.216 178.549 176.300 0.055 0.000 1.142 47 R CA 1.535 57.644 56.100 0.016 0.000 0.960 47 R CB -0.208 30.083 30.300 -0.015 0.000 0.858 47 R HN 0.144 nan 8.270 nan 0.000 0.439 48 V N 0.649 120.575 119.914 0.020 0.000 2.358 48 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 48 V C 2.413 178.523 176.094 0.027 0.000 1.047 48 V CA 1.958 64.280 62.300 0.037 0.000 1.035 48 V CB -0.350 31.493 31.823 0.034 0.000 0.658 48 V HN 0.571 nan 8.190 nan 0.000 0.452 49 S N -0.401 115.270 115.700 -0.049 0.000 2.400 49 S HA -0.309 4.161 4.470 -0.000 0.000 0.232 49 S C 2.000 176.543 174.600 -0.094 0.000 1.025 49 S CA 1.920 59.960 58.200 -0.266 0.000 0.993 49 S CB -0.776 61.938 63.200 -0.810 0.000 0.808 49 S HN 0.671 nan 8.310 nan 0.000 0.478 50 Y N 2.009 122.256 120.300 -0.090 0.000 2.263 50 Y HA 0.067 4.617 4.550 -0.000 0.000 0.292 50 Y C 2.264 178.174 175.900 0.016 0.000 1.130 50 Y CA 1.671 59.756 58.100 -0.025 0.000 1.179 50 Y CB -0.327 38.116 38.460 -0.028 0.000 0.998 50 Y HN 0.312 nan 8.280 nan 0.000 0.532 51 E N -0.097 120.181 120.200 0.129 0.000 2.077 51 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 51 E C 1.981 178.585 176.600 0.007 0.000 0.989 51 E CA 1.361 57.800 56.400 0.064 0.000 0.800 51 E CB -0.350 29.407 29.700 0.094 0.000 0.746 51 E HN 0.400 nan 8.360 nan 0.000 0.452 52 L N 0.836 122.096 121.223 0.061 0.000 1.989 52 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 52 L C 2.021 178.997 176.870 0.178 0.000 1.071 52 L CA 1.685 56.617 54.840 0.154 0.000 0.749 52 L CB -0.507 41.676 42.059 0.207 0.000 0.890 52 L HN 0.152 nan 8.230 nan 0.000 0.431 53 L N -0.573 120.699 121.223 0.081 0.000 2.046 53 L HA -0.219 4.120 4.340 -0.000 0.000 0.208 53 L C 2.709 179.530 176.870 -0.080 0.000 1.077 53 L CA 1.547 56.413 54.840 0.042 0.000 0.747 53 L CB -0.712 41.328 42.059 -0.031 0.000 0.896 53 L HN 0.557 nan 8.230 nan 0.000 0.432 54 S N -0.189 115.322 115.700 -0.316 0.000 2.400 54 S HA -0.232 4.238 4.470 -0.000 0.000 0.232 54 S C 1.982 176.477 174.600 -0.175 0.000 1.025 54 S CA 0.956 58.956 58.200 -0.333 0.000 0.993 54 S CB -0.484 62.442 63.200 -0.456 0.000 0.808 54 S HN 0.395 nan 8.310 nan 0.000 0.478 55 R N -0.479 119.898 120.500 -0.205 0.000 2.189 55 R HA 0.029 4.368 4.340 -0.000 0.000 0.223 55 R C 0.965 176.906 176.300 -0.598 0.000 1.092 55 R CA 1.419 57.271 56.100 -0.413 0.000 0.989 55 R CB -0.257 29.689 30.300 -0.590 0.000 0.876 55 R HN 0.587 nan 8.270 nan 0.000 0.457 56 Y N -0.803 119.532 120.300 0.058 0.000 2.453 56 Y HA 0.275 4.824 4.550 -0.000 0.000 0.247 56 Y C 0.540 176.560 175.900 0.201 0.000 1.124 56 Y CA -0.381 57.815 58.100 0.160 0.000 1.243 56 Y CB 0.632 39.227 38.460 0.224 0.000 1.213 56 Y HN -0.145 nan 8.280 nan 0.000 0.523 57 L N 1.981 123.319 121.223 0.192 0.000 2.399 57 L HA 0.359 4.699 4.340 -0.000 0.000 0.266 57 L C -1.989 174.980 176.870 0.164 0.000 1.114 57 L CA -2.005 52.940 54.840 0.175 0.000 0.804 57 L CB 0.577 42.681 42.059 0.074 0.000 1.146 57 L HN -0.098 nan 8.230 nan 0.000 0.451 58 P HA 0.077 nan 4.420 nan 0.000 0.272 58 P C 0.329 177.773 177.300 0.240 0.000 1.240 58 P CA -0.375 62.858 63.100 0.221 0.000 0.791 58 P CB 0.453 32.337 31.700 0.306 0.000 0.978 59 N N -0.061 118.745 118.700 0.176 0.000 2.453 59 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 59 N C 0.789 176.373 175.510 0.125 0.000 1.041 59 N CA 1.294 54.419 53.050 0.126 0.000 0.900 59 N CB -0.816 37.722 38.487 0.085 0.000 0.961 59 N HN 0.688 nan 8.380 nan 0.000 0.443 60 D N -1.718 118.773 120.400 0.153 0.000 2.340 60 D HA -0.013 4.627 4.640 -0.000 0.000 0.217 60 D C -0.465 175.806 176.300 -0.048 0.000 1.081 60 D CA -0.128 53.897 54.000 0.042 0.000 0.842 60 D CB -0.536 40.261 40.800 -0.006 0.000 0.934 60 D HN 0.381 nan 8.370 nan 0.000 0.511 61 Y N -0.000 120.332 120.300 0.053 0.000 2.409 61 Y HA 0.459 5.009 4.550 -0.000 0.000 0.339 61 Y C 0.850 176.768 175.900 0.031 0.000 1.033 61 Y CA -0.650 57.469 58.100 0.033 0.000 1.094 61 Y CB 2.293 40.788 38.460 0.058 0.000 1.210 61 Y HN -0.254 nan 8.280 nan 0.000 0.456 62 T N 1.300 115.958 114.554 0.173 0.000 2.870 62 T HA 0.898 5.248 4.350 -0.000 0.000 0.277 62 T C -1.406 173.377 174.700 0.138 0.000 1.000 62 T CA -0.607 61.596 62.100 0.172 0.000 0.982 62 T CB 0.905 69.870 68.868 0.162 0.000 1.249 62 T HN 0.719 nan 8.240 nan 0.000 0.589 63 A N 1.224 124.147 122.820 0.173 0.000 2.437 63 A HA 0.682 5.002 4.320 -0.000 0.000 0.293 63 A C -0.808 176.860 177.584 0.140 0.000 1.038 63 A CA -0.613 51.490 52.037 0.110 0.000 0.708 63 A CB 1.017 20.055 19.000 0.064 0.000 1.251 63 A HN 1.133 nan 8.150 nan 0.000 0.409 64 V N 0.383 120.338 119.914 0.069 0.000 2.864 64 V HA 0.825 4.945 4.120 -0.000 0.000 0.314 64 V C -0.026 176.072 176.094 0.007 0.000 1.073 64 V CA -0.958 61.362 62.300 0.032 0.000 0.956 64 V CB 1.467 33.297 31.823 0.012 0.000 1.023 64 V HN 0.693 nan 8.190 nan 0.000 0.435 65 V N 3.936 123.818 119.914 -0.053 0.000 2.521 65 V HA 0.177 4.296 4.120 -0.000 0.000 0.286 65 V C 1.283 177.355 176.094 -0.036 0.000 1.034 65 V CA 0.740 62.984 62.300 -0.095 0.000 1.045 65 V CB 1.015 32.633 31.823 -0.341 0.000 0.974 65 V HN 1.065 nan 8.190 nan 0.000 0.480 66 V N 1.444 121.361 119.914 0.005 0.000 3.455 66 V HA 0.445 4.564 4.120 -0.000 0.000 0.250 66 V C 0.453 176.568 176.094 0.035 0.000 1.230 66 V CA 0.489 62.800 62.300 0.019 0.000 1.105 66 V CB 0.207 32.044 31.823 0.024 0.000 0.850 66 V HN 0.825 nan 8.190 nan 0.000 0.461 67 E N -0.609 119.626 120.200 0.058 0.000 2.352 67 E HA 0.578 4.928 4.350 -0.000 0.000 0.280 67 E C -1.454 175.233 176.600 0.146 0.000 0.930 67 E CA -0.297 56.153 56.400 0.083 0.000 0.765 67 E CB 2.555 32.300 29.700 0.075 0.000 1.219 67 E HN 0.220 nan 8.360 nan 0.000 0.434 68 T N 2.990 117.638 114.554 0.156 0.000 2.956 68 T HA 0.555 4.905 4.350 -0.000 0.000 0.312 68 T C -2.107 172.692 174.700 0.165 0.000 1.151 68 T CA -0.582 61.660 62.100 0.237 0.000 1.024 68 T CB 1.159 70.202 68.868 0.292 0.000 1.140 68 T HN 0.375 nan 8.240 nan 0.000 0.473 69 L N 3.931 125.263 121.223 0.182 0.000 2.408 69 L HA 0.990 5.329 4.340 -0.000 0.000 0.268 69 L C -1.275 175.660 176.870 0.109 0.000 0.986 69 L CA -0.204 54.706 54.840 0.116 0.000 0.820 69 L CB 1.699 43.819 42.059 0.100 0.000 1.303 69 L HN 0.867 nan 8.230 nan 0.000 0.411 70 A N 4.527 127.384 122.820 0.061 0.000 2.520 70 A HA 0.826 5.146 4.320 -0.000 0.000 0.298 70 A C -1.225 176.379 177.584 0.034 0.000 1.051 70 A CA -0.748 51.313 52.037 0.040 0.000 0.690 70 A CB 1.436 20.429 19.000 -0.011 0.000 1.281 70 A HN 0.686 nan 8.150 nan 0.000 0.402 71 R N 1.245 121.767 120.500 0.037 0.000 2.338 71 R HA 0.378 4.718 4.340 -0.000 0.000 0.317 71 R C -0.810 175.536 176.300 0.076 0.000 0.968 71 R CA -0.421 55.707 56.100 0.046 0.000 0.849 71 R CB 1.423 31.745 30.300 0.037 0.000 1.128 71 R HN 0.849 nan 8.270 nan 0.000 0.448 72 H N 3.189 122.232 119.070 -0.045 0.000 2.690 72 H HA 0.138 4.694 4.556 0.000 0.000 0.280 72 H C 0.961 176.252 175.328 -0.063 0.000 1.138 72 H CA -0.648 55.363 56.048 -0.061 0.000 1.241 72 H CB 0.946 30.654 29.762 -0.089 0.000 1.394 72 H HN 0.517 nan 8.280 nan 0.000 0.489 73 V N 1.644 121.650 119.914 0.153 0.000 3.471 73 V HA 0.296 4.416 4.120 -0.000 0.000 0.258 73 V C 0.512 176.607 176.094 0.001 0.000 1.192 73 V CA 0.422 62.744 62.300 0.037 0.000 1.116 73 V CB 0.057 31.899 31.823 0.032 0.000 0.792 73 V HN 0.466 nan 8.190 nan 0.000 0.459 74 K N 0.812 121.240 120.400 0.047 0.000 2.535 74 K HA 0.715 5.034 4.320 -0.000 0.000 0.251 74 K C -0.612 175.988 176.600 -0.001 0.000 0.942 74 K CA -0.170 56.114 56.287 -0.004 0.000 0.798 74 K CB 2.352 34.864 32.500 0.020 0.000 1.267 74 K HN 0.368 nan 8.250 nan 0.000 0.434 75 A N 2.506 125.275 122.820 -0.085 0.000 2.425 75 A HA 0.445 4.765 4.320 -0.000 0.000 0.249 75 A C -0.752 176.837 177.584 0.009 0.000 1.084 75 A CA -0.325 51.669 52.037 -0.072 0.000 0.781 75 A CB 0.920 19.848 19.000 -0.121 0.000 1.019 75 A HN 0.424 nan 8.150 nan 0.000 0.490 76 V N 4.652 124.594 119.914 0.047 0.000 2.808 76 V HA 0.605 4.725 4.120 -0.000 0.000 0.308 76 V C -2.582 173.535 176.094 0.038 0.000 1.099 76 V CA -1.829 60.494 62.300 0.039 0.000 0.920 76 V CB 2.738 34.592 31.823 0.052 0.000 1.014 76 V HN 0.874 nan 8.190 nan 0.000 0.425 77 P HA 0.302 nan 4.420 nan 0.000 0.281 77 P C -0.150 177.226 177.300 0.127 0.000 1.249 77 P CA 0.025 63.130 63.100 0.008 0.000 0.810 77 P CB 0.817 32.431 31.700 -0.143 0.000 1.008 78 T N -2.409 112.293 114.554 0.247 0.000 2.734 78 T HA 0.329 4.679 4.350 -0.000 0.000 0.314 78 T C 1.200 176.026 174.700 0.209 0.000 1.057 78 T CA 0.537 62.763 62.100 0.209 0.000 1.047 78 T CB -0.696 68.280 68.868 0.179 0.000 0.991 78 T HN 0.849 nan 8.240 nan 0.000 0.540 79 G N 0.229 109.085 108.800 0.094 0.000 2.136 79 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.242 79 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.242 79 G C 0.147 175.084 174.900 0.062 0.000 0.989 79 G CA 0.212 45.348 45.100 0.059 0.000 0.682 79 G HN 1.088 nan 8.290 nan 0.000 0.522 80 T N 0.202 114.792 114.554 0.061 0.000 2.887 80 T HA 0.666 5.016 4.350 -0.000 0.000 0.288 80 T C 0.203 174.921 174.700 0.030 0.000 1.021 80 T CA -0.674 61.454 62.100 0.046 0.000 1.000 80 T CB 1.515 70.412 68.868 0.049 0.000 1.034 80 T HN 0.342 nan 8.240 nan 0.000 0.467 81 R N 1.329 121.843 120.500 0.022 0.000 2.407 81 R HA 0.709 5.049 4.340 -0.000 0.000 0.303 81 R C -0.568 175.740 176.300 0.013 0.000 0.981 81 R CA -0.717 55.392 56.100 0.015 0.000 0.905 81 R CB 1.473 31.782 30.300 0.014 0.000 1.099 81 R HN 0.494 nan 8.270 nan 0.000 0.459 82 V N -1.037 118.881 119.914 0.007 0.000 2.914 82 V HA 0.801 4.920 4.120 -0.000 0.000 0.314 82 V C -0.271 175.826 176.094 0.005 0.000 1.084 82 V CA -1.243 61.059 62.300 0.004 0.000 0.963 82 V CB 1.875 33.696 31.823 -0.004 0.000 1.025 82 V HN 0.833 nan 8.190 nan 0.000 0.432 83 A N 3.020 125.844 122.820 0.007 0.000 2.309 83 A HA 0.741 5.061 4.320 -0.000 0.000 0.290 83 A C -0.306 177.285 177.584 0.010 0.000 1.206 83 A CA -0.446 51.598 52.037 0.011 0.000 0.850 83 A CB 0.497 19.505 19.000 0.014 0.000 1.118 83 A HN 1.327 nan 8.150 nan 0.000 0.523 84 V N 2.836 122.759 119.914 0.014 0.000 2.378 84 V HA 0.658 4.778 4.120 -0.000 0.000 0.288 84 V C 0.705 176.821 176.094 0.036 0.000 1.016 84 V CA -0.121 62.188 62.300 0.017 0.000 0.840 84 V CB 1.424 33.250 31.823 0.005 0.000 0.994 84 V HN 1.079 nan 8.190 nan 0.000 0.431 85 G N 3.332 112.161 108.800 0.048 0.000 2.461 85 G HA2 0.723 4.683 3.960 -0.000 0.000 0.323 85 G HA3 0.723 4.683 3.960 -0.000 0.000 0.323 85 G C -0.797 174.161 174.900 0.097 0.000 1.229 85 G CA -0.571 44.567 45.100 0.064 0.000 0.941 85 G HN 0.976 nan 8.290 nan 0.000 0.477 86 V N -0.139 119.845 119.914 0.118 0.000 2.914 86 V HA 0.939 5.059 4.120 -0.000 0.000 0.314 86 V C -0.596 175.599 176.094 0.168 0.000 1.084 86 V CA -1.486 60.918 62.300 0.173 0.000 0.963 86 V CB 2.067 34.015 31.823 0.209 0.000 1.025 86 V HN 0.923 nan 8.190 nan 0.000 0.432 87 R N 1.998 122.605 120.500 0.177 0.000 2.584 87 R HA 0.712 5.052 4.340 -0.000 0.000 0.276 87 R C -1.875 174.418 176.300 -0.012 0.000 1.046 87 R CA -0.609 55.538 56.100 0.078 0.000 0.906 87 R CB 2.490 32.800 30.300 0.018 0.000 1.215 87 R HN 0.776 nan 8.270 nan 0.000 0.449 88 V N 5.666 125.480 119.914 -0.167 0.000 2.427 88 V HA 0.064 4.184 4.120 -0.000 0.000 0.268 88 V C 1.133 177.049 176.094 -0.297 0.000 1.046 88 V CA 0.009 62.035 62.300 -0.457 0.000 0.970 88 V CB 1.200 32.712 31.823 -0.519 0.000 1.001 88 V HN 0.730 nan 8.190 nan 0.000 0.476 89 V N 1.867 121.601 119.914 -0.300 0.000 3.643 89 V HA 0.716 4.836 4.120 -0.000 0.000 0.280 89 V C 0.708 176.690 176.094 -0.186 0.000 1.351 89 V CA 0.611 62.795 62.300 -0.192 0.000 1.073 89 V CB 0.099 31.837 31.823 -0.142 0.000 0.863 89 V HN 0.931 nan 8.190 nan 0.000 0.436 90 G N -0.541 108.112 108.800 -0.244 0.000 2.633 90 G HA2 0.538 4.498 3.960 -0.000 0.000 0.299 90 G HA3 0.538 4.498 3.960 -0.000 0.000 0.299 90 G C -1.789 172.979 174.900 -0.220 0.000 1.501 90 G CA -0.227 44.758 45.100 -0.193 0.000 0.887 90 G HN 0.342 nan 8.290 nan 0.000 0.561 91 V N 1.039 120.857 119.914 -0.160 0.000 2.577 91 V HA 0.688 4.808 4.120 -0.000 0.000 0.303 91 V C -0.485 175.568 176.094 -0.069 0.000 1.042 91 V CA -0.771 61.449 62.300 -0.132 0.000 0.872 91 V CB 1.863 33.610 31.823 -0.127 0.000 0.998 91 V HN 0.742 nan 8.190 nan 0.000 0.423 92 V N 4.558 124.445 119.914 -0.046 0.000 2.419 92 V HA 0.789 4.909 4.120 -0.000 0.000 0.287 92 V C 0.849 176.955 176.094 0.020 0.000 1.017 92 V CA 0.552 62.844 62.300 -0.013 0.000 0.844 92 V CB 0.701 32.513 31.823 -0.019 0.000 1.011 92 V HN 1.309 nan 8.190 nan 0.000 0.429 93 G N 5.456 114.287 108.800 0.051 0.000 2.591 93 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.298 93 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.298 93 G C 0.708 175.718 174.900 0.183 0.000 1.195 93 G CA 0.677 45.838 45.100 0.101 0.000 0.989 93 G HN 1.112 nan 8.290 nan 0.000 0.551 94 N N 1.308 120.100 118.700 0.154 0.000 2.370 94 N HA 0.074 4.814 4.740 -0.000 0.000 0.198 94 N C 0.410 175.886 175.510 -0.056 0.000 1.156 94 N CA 0.364 53.463 53.050 0.082 0.000 0.839 94 N CB 0.095 38.643 38.487 0.102 0.000 0.989 94 N HN 0.484 nan 8.380 nan 0.000 0.468 95 R N 0.791 121.274 120.500 -0.027 0.000 2.229 95 R HA 0.375 4.715 4.340 -0.000 0.000 0.328 95 R C -0.850 175.384 176.300 -0.110 0.000 1.009 95 R CA -0.668 55.400 56.100 -0.053 0.000 0.864 95 R CB 1.512 31.797 30.300 -0.026 0.000 1.085 95 R HN -0.071 nan 8.270 nan 0.000 0.453 96 V N 3.582 123.408 119.914 -0.148 0.000 2.350 96 V HA 0.318 4.438 4.120 -0.000 0.000 0.285 96 V C 0.285 176.168 176.094 -0.352 0.000 1.014 96 V CA -0.909 61.211 62.300 -0.300 0.000 0.831 96 V CB 1.748 33.351 31.823 -0.367 0.000 1.000 96 V HN 0.522 nan 8.190 nan 0.000 0.433 97 K N 4.141 124.294 120.400 -0.412 0.000 2.201 97 K HA 0.647 4.967 4.320 -0.000 0.000 0.278 97 K C -1.413 174.813 176.600 -0.624 0.000 1.027 97 K CA -0.324 55.751 56.287 -0.354 0.000 0.909 97 K CB 0.771 33.139 32.500 -0.219 0.000 1.062 97 K HN 0.455 nan 8.250 nan 0.000 0.465 98 F N 2.197 121.827 119.950 -0.534 0.000 2.538 98 F HA 0.511 5.038 4.527 -0.001 0.000 0.325 98 F C 0.421 175.893 175.800 -0.546 0.000 1.066 98 F CA -0.884 56.739 58.000 -0.630 0.000 0.946 98 F CB 1.728 40.059 39.000 -1.115 0.000 1.199 98 F HN 0.266 nan 8.300 nan 0.000 0.473 99 R N 0.607 121.053 120.500 -0.091 0.000 2.589 99 R HA 0.746 5.086 4.340 -0.000 0.000 0.293 99 R C -0.358 176.007 176.300 0.108 0.000 0.963 99 R CA -0.967 55.131 56.100 -0.002 0.000 0.905 99 R CB 1.921 32.223 30.300 0.004 0.000 1.144 99 R HN 0.881 nan 8.270 nan 0.000 0.459 100 G N 1.785 110.711 108.800 0.211 0.000 2.571 100 G HA2 0.682 4.642 3.960 -0.000 0.000 0.304 100 G HA3 0.682 4.642 3.960 -0.000 0.000 0.304 100 G C -1.473 173.510 174.900 0.137 0.000 1.314 100 G CA -0.507 44.739 45.100 0.244 0.000 0.975 100 G HN 0.506 nan 8.290 nan 0.000 0.485 101 I N 1.256 121.880 120.570 0.090 0.000 2.722 101 I HA 0.603 4.773 4.170 -0.000 0.000 0.295 101 I C -0.742 175.389 176.117 0.023 0.000 1.161 101 I CA -0.735 60.594 61.300 0.048 0.000 1.032 101 I CB 2.238 40.263 38.000 0.041 0.000 1.244 101 I HN 0.360 nan 8.210 nan 0.000 0.421 105 G N 4.549 113.356 108.800 0.011 0.000 2.543 105 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.286 105 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.286 105 G C 0.015 174.921 174.900 0.010 0.000 1.153 105 G CA 0.749 45.856 45.100 0.011 0.000 0.968 105 G HN 0.650 nan 8.290 nan 0.000 0.544 106 D N 2.183 122.588 120.400 0.009 0.000 2.363 106 D HA 0.271 4.911 4.640 -0.000 0.000 0.214 106 D C 0.357 176.663 176.300 0.009 0.000 1.093 106 D CA 0.307 54.313 54.000 0.009 0.000 0.837 106 D CB 0.379 41.184 40.800 0.008 0.000 0.948 106 D HN 0.368 nan 8.370 nan 0.000 0.507 107 E N 1.056 121.261 120.200 0.010 0.000 2.156 107 E HA 0.153 4.503 4.350 -0.000 0.000 0.279 107 E C 0.013 176.621 176.600 0.013 0.000 0.965 107 E CA -0.484 55.923 56.400 0.010 0.000 0.789 107 E CB 2.076 31.782 29.700 0.010 0.000 1.098 107 E HN -0.008 nan 8.360 nan 0.000 0.397 108 K N 3.544 123.953 120.400 0.014 0.000 2.379 108 K HA 0.066 4.386 4.320 -0.000 0.000 0.284 108 K C 0.601 177.215 176.600 0.024 0.000 1.044 108 K CA -0.244 56.053 56.287 0.017 0.000 0.974 108 K CB 0.426 32.936 32.500 0.017 0.000 0.962 108 K HN 0.303 nan 8.250 nan 0.000 0.474 109 I N 3.927 124.510 120.570 0.022 0.000 2.947 109 I HA 0.144 4.314 4.170 -0.000 0.000 0.263 109 I C 0.457 176.600 176.117 0.043 0.000 1.130 109 I CA 0.461 61.787 61.300 0.042 0.000 1.448 109 I CB -0.572 37.436 38.000 0.013 0.000 1.222 109 I HN 0.605 nan 8.210 nan 0.000 0.453 110 L N 1.009 122.220 121.223 -0.021 0.000 2.472 110 L HA 0.386 4.726 4.340 -0.000 0.000 0.260 110 L C -1.067 175.794 176.870 -0.014 0.000 0.963 110 L CA -0.363 54.447 54.840 -0.051 0.000 0.829 110 L CB 2.215 44.155 42.059 -0.198 0.000 1.348 110 L HN 0.266 nan 8.230 nan 0.000 0.408 111 E N 4.131 124.337 120.200 0.011 0.000 2.256 111 E HA 0.866 5.216 4.350 -0.000 0.000 0.267 111 E C -1.503 175.133 176.600 0.061 0.000 0.892 111 E CA -1.028 55.395 56.400 0.039 0.000 0.775 111 E CB 2.482 32.207 29.700 0.041 0.000 1.207 111 E HN 0.687 nan 8.360 nan 0.000 0.420 112 A N 2.131 125.023 122.820 0.120 0.000 2.515 112 A HA 0.639 4.959 4.320 -0.000 0.000 0.296 112 A C -1.298 176.447 177.584 0.269 0.000 1.094 112 A CA -0.748 51.412 52.037 0.204 0.000 0.718 112 A CB 2.088 21.234 19.000 0.244 0.000 1.307 112 A HN 0.759 nan 8.150 nan 0.000 0.408 113 E N 0.297 120.683 120.200 0.310 0.000 2.278 113 E HA 0.648 4.998 4.350 -0.000 0.000 0.272 113 E C -1.753 175.042 176.600 0.325 0.000 0.890 113 E CA -0.484 56.033 56.400 0.195 0.000 0.770 113 E CB 1.333 31.087 29.700 0.090 0.000 1.212 113 E HN 0.817 nan 8.360 nan 0.000 0.415 114 F N 0.828 120.864 119.950 0.144 0.000 2.713 114 F HA 0.697 5.224 4.527 -0.001 0.000 0.311 114 F C -1.903 174.003 175.800 0.176 0.000 1.141 114 F CA -1.049 57.030 58.000 0.132 0.000 0.939 114 F CB 0.912 39.993 39.000 0.135 0.000 1.325 114 F HN 0.050 nan 8.300 nan 0.000 0.453 115 V N 2.099 122.170 119.914 0.261 0.000 2.531 115 V HA 0.587 4.707 4.120 -0.000 0.000 0.301 115 V C -0.450 175.757 176.094 0.189 0.000 1.034 115 V CA -0.822 61.571 62.300 0.156 0.000 0.865 115 V CB 1.772 33.637 31.823 0.070 0.000 0.995 115 V HN 0.776 nan 8.190 nan 0.000 0.424 116 R N 2.596 123.229 120.500 0.221 0.000 2.474 116 R HA 0.797 5.137 4.340 -0.000 0.000 0.295 116 R C -0.286 176.043 176.300 0.049 0.000 0.980 116 R CA -0.519 55.670 56.100 0.148 0.000 0.934 116 R CB 2.169 32.612 30.300 0.239 0.000 1.101 116 R HN 0.799 nan 8.270 nan 0.000 0.469 117 A N 4.025 126.858 122.820 0.021 0.000 2.276 117 A HA 0.431 4.751 4.320 -0.000 0.000 0.316 117 A C 0.068 177.630 177.584 -0.037 0.000 1.229 117 A CA -0.661 51.368 52.037 -0.012 0.000 0.851 117 A CB 0.334 19.339 19.000 0.008 0.000 1.165 117 A HN 0.684 nan 8.150 nan 0.000 0.513 118 I N 3.397 123.891 120.570 -0.127 0.000 2.352 118 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 118 I C -0.131 176.002 176.117 0.026 0.000 1.036 118 I CA -0.240 60.957 61.300 -0.173 0.000 1.336 118 I CB 1.136 38.733 38.000 -0.672 0.000 1.407 118 I HN 0.503 nan 8.210 nan 0.000 0.497 119 V N 4.526 124.516 119.914 0.126 0.000 2.841 119 V HA 0.622 4.742 4.120 -0.000 0.000 0.310 119 V C -2.866 173.227 176.094 -0.001 0.000 1.090 119 V CA -2.744 59.615 62.300 0.100 0.000 0.930 119 V CB 1.729 33.564 31.823 0.021 0.000 1.014 119 V HN 0.380 nan 8.190 nan 0.000 0.425 120 P HA 0.277 nan 4.420 nan 0.000 0.265 120 P C 0.671 177.824 177.300 -0.245 0.000 1.193 120 P CA 0.109 62.858 63.100 -0.585 0.000 0.765 120 P CB 0.474 31.688 31.700 -0.810 0.000 0.823 121 R N 2.823 123.222 120.500 -0.168 0.000 2.117 121 R HA -0.239 4.101 4.340 -0.000 0.000 0.243 121 R C 1.939 178.198 176.300 -0.068 0.000 1.143 121 R CA 2.160 58.217 56.100 -0.071 0.000 0.968 121 R CB -0.383 29.896 30.300 -0.035 0.000 0.863 121 R HN 0.661 nan 8.270 nan 0.000 0.444 122 E N 0.935 121.082 120.200 -0.089 0.000 2.110 122 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 122 E C 1.824 178.399 176.600 -0.042 0.000 0.988 122 E CA 1.321 57.691 56.400 -0.050 0.000 0.804 122 E CB -0.133 29.548 29.700 -0.031 0.000 0.745 122 E HN 0.070 nan 8.360 nan 0.000 0.458 123 K N 0.947 121.303 120.400 -0.073 0.000 2.009 123 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 123 K C 1.944 178.527 176.600 -0.027 0.000 1.049 123 K CA 1.233 57.492 56.287 -0.046 0.000 0.929 123 K CB -0.576 31.880 32.500 -0.074 0.000 0.714 123 K HN 0.191 nan 8.250 nan 0.000 0.440 124 L N 1.276 122.479 121.223 -0.033 0.000 2.012 124 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 124 L C 2.611 179.473 176.870 -0.013 0.000 1.073 124 L CA 1.952 56.782 54.840 -0.017 0.000 0.748 124 L CB -0.736 41.314 42.059 -0.015 0.000 0.891 124 L HN 0.296 nan 8.230 nan 0.000 0.431 125 R N -0.987 119.504 120.500 -0.016 0.000 2.105 125 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 125 R C 2.435 178.731 176.300 -0.006 0.000 1.135 125 R CA 1.352 57.445 56.100 -0.011 0.000 0.967 125 R CB -0.085 30.207 30.300 -0.012 0.000 0.861 125 R HN 0.285 nan 8.270 nan 0.000 0.442 126 R N 0.136 120.632 120.500 -0.006 0.000 2.070 126 R HA -0.103 4.237 4.340 -0.000 0.000 0.233 126 R C 2.440 178.741 176.300 0.001 0.000 1.137 126 R CA 1.627 57.727 56.100 0.000 0.000 0.945 126 R CB -0.445 29.858 30.300 0.004 0.000 0.845 126 R HN 0.253 nan 8.270 nan 0.000 0.430 127 L N 0.031 121.254 121.223 0.000 0.000 1.989 127 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 127 L C 2.521 179.392 176.870 0.001 0.000 1.071 127 L CA 1.557 56.398 54.840 0.002 0.000 0.749 127 L CB -0.504 41.556 42.059 0.002 0.000 0.890 127 L HN 0.279 nan 8.230 nan 0.000 0.431 128 A N -0.816 122.004 122.820 -0.001 0.000 2.167 128 A HA 0.067 4.386 4.320 -0.000 0.000 0.214 128 A C 1.495 179.078 177.584 -0.002 0.000 1.151 128 A CA 0.634 52.670 52.037 -0.002 0.000 0.735 128 A CB -0.304 18.693 19.000 -0.005 0.000 0.802 128 A HN 0.405 nan 8.150 nan 0.000 0.467 129 L N 0.319 121.541 121.223 -0.001 0.000 3.096 129 L HA 0.444 4.783 4.340 -0.000 0.000 0.247 129 L C 0.630 177.501 176.870 0.001 0.000 1.321 129 L CA 0.000 54.840 54.840 -0.000 0.000 1.044 129 L CB -0.024 42.035 42.059 -0.001 0.000 1.434 129 L HN 0.400 nan 8.230 nan 0.000 0.533 130 E N 0.000 120.201 120.200 0.002 0.000 2.725 130 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 130 E CA 0.000 56.402 56.400 0.003 0.000 0.976 130 E CB 0.000 29.703 29.700 0.005 0.000 0.812 130 E HN 0.000 nan 8.360 nan 0.000 0.440