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 1o8u_1_E DATA FIRST_RESID 4 DATA SEQUENCE LATPFQEYSQ KYENIRLERD GGVLLVTVHT EGKSLVWTST AHDELAYCFH DATA SEQUENCE DIACDRENKV VILTGTGPSF CNEIDFTSFN LGTPHDWDEI IFEGQRLLNN DATA SEQUENCE LLSIEVPVIA AVNGPVTNHP EIPVMSDIVL AAESATFQDG PHFPSGIVPG DATA SEQUENCE DGAHVVWPHV LGSNRGRYFL LTGQELDART ALDYGAVNEV LSEQELLPRA DATA SEQUENCE WELARGIAEK PLLARRYARK VLTRQLRRVM EADLSLGLAH EALAAIDLG 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.912 176.870 0.071 0.000 1.165 4 L CA 0.000 54.874 54.840 0.057 0.000 0.813 4 L CB 0.000 42.090 42.059 0.051 0.000 0.961 5 A N 0.654 123.518 122.820 0.073 0.000 2.332 5 A HA 0.645 4.965 4.320 -0.000 0.000 0.258 5 A C 0.299 177.950 177.584 0.112 0.000 1.087 5 A CA -0.044 52.044 52.037 0.085 0.000 0.802 5 A CB 0.358 19.400 19.000 0.070 0.000 1.042 5 A HN 0.701 nan 8.150 nan 0.000 0.489 6 T N 4.378 119.014 114.554 0.137 0.000 2.752 6 T HA 0.399 4.749 4.350 -0.000 0.000 0.295 6 T C -2.168 172.713 174.700 0.302 0.000 0.923 6 T CA -0.363 61.853 62.100 0.194 0.000 1.112 6 T CB 0.171 69.166 68.868 0.211 0.000 0.884 6 T HN 0.562 nan 8.240 nan 0.000 0.525 7 P HA 0.139 nan 4.420 nan 0.000 0.274 7 P C 0.803 178.186 177.300 0.137 0.000 1.231 7 P CA -0.696 62.530 63.100 0.210 0.000 0.790 7 P CB 0.742 32.513 31.700 0.117 0.000 0.951 8 F N 2.390 122.266 119.950 -0.124 0.000 2.115 8 F HA -0.326 4.201 4.527 -0.000 0.000 0.300 8 F C 2.795 178.325 175.800 -0.450 0.000 1.092 8 F CA 3.314 60.947 58.000 -0.613 0.000 1.245 8 F CB -1.315 37.495 39.000 -0.317 0.000 0.995 8 F HN 0.394 nan 8.300 nan 0.000 0.481 9 Q N 0.309 120.019 119.800 -0.150 0.000 2.197 9 Q HA -0.277 4.063 4.340 -0.000 0.000 0.207 9 Q C 2.120 177.976 176.000 -0.240 0.000 0.984 9 Q CA 2.090 57.790 55.803 -0.171 0.000 0.869 9 Q CB -1.157 27.571 28.738 -0.017 0.000 0.906 9 Q HN 0.793 nan 8.270 nan 0.000 0.426 10 E N -1.141 118.950 120.200 -0.182 0.000 2.021 10 E HA -0.115 4.235 4.350 -0.000 0.000 0.189 10 E C 2.055 178.553 176.600 -0.171 0.000 0.980 10 E CA 1.007 57.331 56.400 -0.127 0.000 0.803 10 E CB -0.284 29.407 29.700 -0.015 0.000 0.766 10 E HN 0.888 nan 8.360 nan 0.000 0.449 11 Y N 0.687 120.904 120.300 -0.138 0.000 2.439 11 Y HA 0.085 4.635 4.550 -0.000 0.000 0.292 11 Y C 2.147 177.954 175.900 -0.156 0.000 1.130 11 Y CA 0.827 58.861 58.100 -0.109 0.000 1.254 11 Y CB -0.833 37.672 38.460 0.076 0.000 1.000 11 Y HN 0.071 nan 8.280 nan 0.000 0.554 12 S N -0.466 114.816 115.700 -0.698 0.000 2.442 12 S HA -0.168 4.302 4.470 -0.000 0.000 0.236 12 S C 1.306 175.744 174.600 -0.270 0.000 1.007 12 S CA 1.068 58.881 58.200 -0.645 0.000 0.965 12 S CB -0.345 62.040 63.200 -1.358 0.000 0.773 12 S HN 0.614 nan 8.310 nan 0.000 0.504 13 Q N 0.039 119.690 119.800 -0.248 0.000 2.172 13 Q HA 0.348 4.688 4.340 -0.000 0.000 0.217 13 Q C 1.037 176.923 176.000 -0.190 0.000 0.832 13 Q CA 0.038 55.742 55.803 -0.164 0.000 1.010 13 Q CB 0.466 29.110 28.738 -0.156 0.000 1.133 13 Q HN 0.652 nan 8.270 nan 0.000 0.489 14 K N -0.125 120.087 120.400 -0.314 0.000 2.356 14 K HA 0.054 4.374 4.320 -0.000 0.000 0.195 14 K C -0.556 175.639 176.600 -0.675 0.000 1.037 14 K CA 0.493 56.413 56.287 -0.611 0.000 1.014 14 K CB 0.564 32.486 32.500 -0.963 0.000 0.815 14 K HN -0.055 nan 8.250 nan 0.000 0.507 15 Y N 0.982 121.267 120.300 -0.026 0.000 2.332 15 Y HA 0.132 4.682 4.550 -0.000 0.000 0.326 15 Y C 0.542 176.418 175.900 -0.041 0.000 0.978 15 Y CA -1.198 56.876 58.100 -0.042 0.000 1.205 15 Y CB 1.584 40.027 38.460 -0.029 0.000 1.131 15 Y HN 0.095 nan 8.280 nan 0.000 0.462 16 E N 0.134 120.358 120.200 0.040 0.000 2.268 16 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 16 E C -0.064 176.448 176.600 -0.146 0.000 0.995 16 E CA 1.627 58.012 56.400 -0.025 0.000 0.836 16 E CB -0.084 29.577 29.700 -0.066 0.000 0.763 16 E HN 0.720 nan 8.360 nan 0.000 0.491 17 N N 0.105 118.709 118.700 -0.160 0.000 2.203 17 N HA 0.271 5.011 4.740 -0.000 0.000 0.207 17 N C -0.801 174.607 175.510 -0.170 0.000 1.130 17 N CA -0.066 52.776 53.050 -0.347 0.000 0.861 17 N CB 0.823 39.157 38.487 -0.254 0.000 1.005 17 N HN 0.115 nan 8.380 nan 0.000 0.507 18 I N 0.560 121.161 120.570 0.052 0.000 2.497 18 I HA 0.272 4.442 4.170 -0.000 0.000 0.284 18 I C -0.449 175.813 176.117 0.241 0.000 1.060 18 I CA -0.810 60.574 61.300 0.139 0.000 1.071 18 I CB 1.837 39.838 38.000 0.002 0.000 1.216 18 I HN -0.067 nan 8.210 nan 0.000 0.442 19 R N 6.009 126.659 120.500 0.251 0.000 2.410 19 R HA 0.636 4.975 4.340 -0.000 0.000 0.288 19 R C -1.424 174.968 176.300 0.153 0.000 1.051 19 R CA -0.440 55.748 56.100 0.148 0.000 1.021 19 R CB 0.866 31.178 30.300 0.021 0.000 1.032 19 R HN 0.422 nan 8.270 nan 0.000 0.481 20 L N 4.030 125.346 121.223 0.153 0.000 2.446 20 L HA 0.398 4.738 4.340 -0.000 0.000 0.268 20 L C -0.996 176.054 176.870 0.301 0.000 0.975 20 L CA -0.207 54.771 54.840 0.230 0.000 0.848 20 L CB 1.621 43.816 42.059 0.226 0.000 1.225 20 L HN 0.781 nan 8.230 nan 0.000 0.410 21 E N 2.750 123.141 120.200 0.319 0.000 2.218 21 E HA 0.518 4.868 4.350 -0.000 0.000 0.263 21 E C -0.731 176.039 176.600 0.282 0.000 0.879 21 E CA -0.667 55.923 56.400 0.317 0.000 0.762 21 E CB 2.950 32.799 29.700 0.249 0.000 1.166 21 E HN 0.296 nan 8.360 nan 0.000 0.415 22 R N 2.353 122.954 120.500 0.170 0.000 2.393 22 R HA 0.300 4.640 4.340 -0.000 0.000 0.315 22 R C -1.549 174.763 176.300 0.020 0.000 0.952 22 R CA -0.511 55.572 56.100 -0.027 0.000 0.842 22 R CB 0.962 30.959 30.300 -0.506 0.000 1.163 22 R HN 0.402 nan 8.270 nan 0.000 0.450 23 D N 2.381 122.858 120.400 0.128 0.000 2.620 23 D HA 0.300 4.940 4.640 -0.000 0.000 0.252 23 D C 0.135 176.489 176.300 0.090 0.000 1.207 23 D CA 0.350 54.401 54.000 0.085 0.000 0.884 23 D CB 1.491 42.323 40.800 0.053 0.000 1.262 23 D HN 0.729 nan 8.370 nan 0.000 0.552 24 G N 2.830 111.643 108.800 0.021 0.000 2.356 24 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.296 24 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.296 24 G C 1.149 176.064 174.900 0.026 0.000 1.022 24 G CA 0.759 45.870 45.100 0.019 0.000 0.961 24 G HN 1.600 nan 8.290 nan 0.000 0.510 25 G N -3.135 105.661 108.800 -0.006 0.000 2.212 25 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.266 25 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.266 25 G C 0.533 175.437 174.900 0.008 0.000 0.978 25 G CA 0.587 45.675 45.100 -0.021 0.000 0.632 25 G HN 1.668 nan 8.290 nan 0.000 0.537 26 V N 1.638 121.597 119.914 0.075 0.000 2.432 26 V HA 0.578 4.697 4.120 -0.000 0.000 0.271 26 V C 0.451 176.581 176.094 0.059 0.000 1.046 26 V CA -0.288 62.057 62.300 0.075 0.000 0.945 26 V CB 1.454 33.391 31.823 0.190 0.000 0.992 26 V HN 0.482 nan 8.190 nan 0.000 0.471 27 L N 6.950 128.170 121.223 -0.005 0.000 2.272 27 L HA 0.585 4.925 4.340 -0.000 0.000 0.289 27 L C -0.654 176.208 176.870 -0.013 0.000 1.032 27 L CA -0.176 54.690 54.840 0.043 0.000 0.810 27 L CB 1.293 43.412 42.059 0.100 0.000 1.205 27 L HN 0.615 nan 8.230 nan 0.000 0.422 28 L N 6.684 127.929 121.223 0.035 0.000 2.264 28 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 28 L C -0.978 175.956 176.870 0.108 0.000 1.044 28 L CA -0.083 54.754 54.840 -0.005 0.000 0.807 28 L CB 1.428 43.524 42.059 0.062 0.000 1.192 28 L HN 0.426 nan 8.230 nan 0.000 0.425 29 V N 4.398 124.368 119.914 0.094 0.000 2.328 29 V HA 0.467 4.587 4.120 -0.000 0.000 0.278 29 V C 0.033 176.193 176.094 0.109 0.000 1.021 29 V CA -0.395 61.985 62.300 0.133 0.000 0.838 29 V CB 1.188 33.111 31.823 0.166 0.000 0.999 29 V HN 0.834 nan 8.190 nan 0.000 0.447 30 T N 4.634 119.252 114.554 0.107 0.000 2.791 30 T HA 0.470 4.820 4.350 -0.000 0.000 0.288 30 T C -0.101 174.666 174.700 0.111 0.000 0.999 30 T CA -0.420 61.728 62.100 0.081 0.000 0.952 30 T CB 1.478 70.384 68.868 0.063 0.000 0.938 30 T HN 0.620 nan 8.240 nan 0.000 0.444 31 V N 2.562 122.488 119.914 0.020 0.000 2.607 31 V HA 0.851 4.971 4.120 -0.000 0.000 0.289 31 V C -0.398 175.745 176.094 0.082 0.000 1.053 31 V CA -0.547 61.760 62.300 0.012 0.000 0.996 31 V CB 0.342 32.097 31.823 -0.112 0.000 0.995 31 V HN 1.138 nan 8.190 nan 0.000 0.476 32 H N 0.403 119.442 119.070 -0.053 0.000 3.003 32 H HA 0.707 5.263 4.556 -0.000 0.000 0.327 32 H C -1.120 174.195 175.328 -0.022 0.000 1.353 32 H CA -0.583 55.445 56.048 -0.034 0.000 1.142 32 H CB 1.614 31.366 29.762 -0.017 0.000 1.864 32 H HN 0.549 nan 8.280 nan 0.000 0.529 33 T N 3.085 117.586 114.554 -0.090 0.000 2.864 33 T HA 0.191 4.541 4.350 -0.000 0.000 0.310 33 T C -0.744 173.977 174.700 0.035 0.000 1.040 33 T CA -0.741 61.286 62.100 -0.122 0.000 0.977 33 T CB 0.663 69.490 68.868 -0.068 0.000 0.976 33 T HN 0.707 nan 8.240 nan 0.000 0.459 34 E N 1.887 122.132 120.200 0.075 0.000 2.199 34 E HA -0.266 4.084 4.350 -0.000 0.000 0.208 34 E C 1.155 177.874 176.600 0.198 0.000 1.310 34 E CA 1.170 57.666 56.400 0.160 0.000 0.709 34 E CB -1.851 27.884 29.700 0.059 0.000 1.127 34 E HN 1.340 nan 8.360 nan 0.000 0.354 35 G N -0.620 108.404 108.800 0.374 0.000 2.168 35 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.263 35 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.263 35 G C 0.336 175.289 174.900 0.089 0.000 0.977 35 G CA 1.177 46.342 45.100 0.109 0.000 0.659 35 G HN 0.407 nan 8.290 nan 0.000 0.533 36 K N -0.002 120.466 120.400 0.113 0.000 2.280 36 K HA 0.623 4.943 4.320 -0.000 0.000 0.234 36 K C 0.427 177.072 176.600 0.075 0.000 1.028 36 K CA -0.551 55.779 56.287 0.073 0.000 0.882 36 K CB 1.099 33.630 32.500 0.052 0.000 1.194 36 K HN 0.086 nan 8.250 nan 0.000 0.458 37 S N 1.404 117.135 115.700 0.051 0.000 2.558 37 S HA -0.059 4.411 4.470 -0.000 0.000 0.293 37 S C -0.004 174.614 174.600 0.031 0.000 1.292 37 S CA -0.342 57.880 58.200 0.037 0.000 1.063 37 S CB 0.001 63.225 63.200 0.039 0.000 0.831 37 S HN 0.362 nan 8.310 nan 0.000 0.499 38 L N 5.436 126.666 121.223 0.012 0.000 2.601 38 L HA 0.076 4.416 4.340 -0.000 0.000 0.277 38 L C -0.569 176.343 176.870 0.070 0.000 1.219 38 L CA 0.621 55.472 54.840 0.018 0.000 0.915 38 L CB 0.039 42.107 42.059 0.015 0.000 1.160 38 L HN 0.424 nan 8.230 nan 0.000 0.494 39 V N 6.760 126.704 119.914 0.050 0.000 2.370 39 V HA 0.127 4.247 4.120 -0.000 0.000 0.279 39 V C 0.019 176.187 176.094 0.124 0.000 1.029 39 V CA -0.788 61.559 62.300 0.079 0.000 0.870 39 V CB 0.986 32.822 31.823 0.021 0.000 0.984 39 V HN 0.804 nan 8.190 nan 0.000 0.451 40 W N 5.795 127.092 121.300 -0.004 0.000 2.308 40 W HA 0.352 5.012 4.660 -0.000 0.000 0.324 40 W C 0.195 176.739 176.519 0.041 0.000 1.387 40 W CA 0.346 57.723 57.345 0.054 0.000 1.250 40 W CB 1.129 30.654 29.460 0.109 0.000 1.257 40 W HN 0.762 nan 8.180 nan 0.000 0.554 41 T N 0.831 115.080 114.554 -0.508 0.000 2.841 41 T HA 0.135 4.485 4.350 -0.000 0.000 0.296 41 T C 0.659 174.818 174.700 -0.901 0.000 1.166 41 T CA -0.426 61.300 62.100 -0.624 0.000 1.007 41 T CB 1.571 70.167 68.868 -0.453 0.000 1.253 41 T HN 0.321 nan 8.240 nan 0.000 0.511 42 S N 0.193 115.129 115.700 -1.274 0.000 2.365 42 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 42 S C 1.958 176.322 174.600 -0.394 0.000 1.039 42 S CA 2.579 60.276 58.200 -0.839 0.000 1.033 42 S CB -1.253 61.480 63.200 -0.778 0.000 0.887 42 S HN 0.819 nan 8.310 nan 0.000 0.447 43 T N 1.815 116.140 114.554 -0.381 0.000 2.684 43 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 43 T C 2.033 176.579 174.700 -0.256 0.000 1.036 43 T CA 1.505 63.457 62.100 -0.247 0.000 1.148 43 T CB -0.719 68.014 68.868 -0.224 0.000 0.863 43 T HN 0.555 nan 8.240 nan 0.000 0.436 44 A N 1.261 123.837 122.820 -0.406 0.000 1.898 44 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 44 A C 2.123 179.382 177.584 -0.543 0.000 1.181 44 A CA 1.709 53.466 52.037 -0.468 0.000 0.620 44 A CB -0.919 17.732 19.000 -0.582 0.000 0.819 44 A HN 0.661 nan 8.150 nan 0.000 0.442 45 H N 0.515 119.100 119.070 -0.808 0.000 2.265 45 H HA -0.174 4.382 4.556 -0.000 0.000 0.295 45 H C 1.339 176.568 175.328 -0.165 0.000 1.084 45 H CA 2.246 58.025 56.048 -0.449 0.000 1.261 45 H CB -0.268 29.386 29.762 -0.179 0.000 1.360 45 H HN 0.384 nan 8.280 nan 0.000 0.487 46 D N 0.451 120.911 120.400 0.099 0.000 2.144 46 D HA -0.099 4.540 4.640 -0.000 0.000 0.200 46 D C 2.298 178.671 176.300 0.121 0.000 0.978 46 D CA 0.779 54.884 54.000 0.175 0.000 0.833 46 D CB -0.290 40.645 40.800 0.226 0.000 0.961 46 D HN 0.591 nan 8.370 nan 0.000 0.470 47 E N 0.224 120.410 120.200 -0.023 0.000 2.077 47 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 47 E C 2.312 178.686 176.600 -0.377 0.000 0.989 47 E CA 0.447 56.802 56.400 -0.076 0.000 0.800 47 E CB -0.093 29.572 29.700 -0.058 0.000 0.746 47 E HN 0.276 nan 8.360 nan 0.000 0.452 48 L N 0.494 121.458 121.223 -0.431 0.000 2.046 48 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 48 L C 2.568 178.963 176.870 -0.792 0.000 1.077 48 L CA 0.975 55.366 54.840 -0.748 0.000 0.747 48 L CB -0.402 41.300 42.059 -0.595 0.000 0.896 48 L HN 0.141 nan 8.230 nan 0.000 0.432 49 A N -0.698 121.889 122.820 -0.388 0.000 1.877 49 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 49 A C 2.027 179.485 177.584 -0.210 0.000 1.186 49 A CA 1.611 53.504 52.037 -0.240 0.000 0.620 49 A CB -0.900 17.965 19.000 -0.225 0.000 0.822 49 A HN 0.376 nan 8.150 nan 0.000 0.443 50 Y N -1.261 118.954 120.300 -0.141 0.000 2.242 50 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 50 Y C 2.912 178.772 175.900 -0.066 0.000 1.137 50 Y CA 1.103 59.198 58.100 -0.008 0.000 1.181 50 Y CB -0.710 37.830 38.460 0.134 0.000 0.989 50 Y HN 0.489 nan 8.280 nan 0.000 0.527 51 C N -0.339 118.766 119.300 -0.325 0.000 2.446 51 C HA -0.191 4.269 4.460 -0.000 0.000 0.277 51 C C 2.622 177.522 174.990 -0.151 0.000 1.275 51 C CA 0.694 59.413 59.018 -0.498 0.000 1.727 51 C CB -1.578 25.560 27.740 -1.004 0.000 2.010 51 C HN 0.491 nan 8.230 nan 0.000 0.486 52 F N 0.617 120.490 119.950 -0.128 0.000 2.161 52 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 52 F C 2.496 178.256 175.800 -0.067 0.000 1.089 52 F CA 1.815 59.765 58.000 -0.084 0.000 1.282 52 F CB -1.598 37.358 39.000 -0.074 0.000 1.010 52 F HN 0.515 nan 8.300 nan 0.000 0.485 53 H N 0.178 119.273 119.070 0.043 0.000 2.326 53 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 53 H C 1.466 176.756 175.328 -0.064 0.000 1.081 53 H CA 1.775 57.813 56.048 -0.017 0.000 1.334 53 H CB -0.071 29.665 29.762 -0.044 0.000 1.385 53 H HN 0.104 nan 8.280 nan 0.000 0.504 54 D N 0.689 120.967 120.400 -0.203 0.000 2.144 54 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 54 D C 2.471 178.397 176.300 -0.624 0.000 0.984 54 D CA 0.859 54.547 54.000 -0.520 0.000 0.834 54 D CB -0.135 40.260 40.800 -0.674 0.000 0.955 54 D HN 0.481 nan 8.370 nan 0.000 0.465 55 I N 0.958 121.332 120.570 -0.327 0.000 2.252 55 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 55 I C 2.456 178.536 176.117 -0.062 0.000 1.102 55 I CA 0.865 62.113 61.300 -0.087 0.000 1.385 55 I CB -0.147 37.910 38.000 0.095 0.000 1.064 55 I HN -0.085 nan 8.210 nan 0.000 0.414 56 A N -0.279 122.484 122.820 -0.095 0.000 1.933 56 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 56 A C 2.276 179.794 177.584 -0.110 0.000 1.175 56 A CA 1.693 53.679 52.037 -0.085 0.000 0.628 56 A CB -1.127 17.829 19.000 -0.073 0.000 0.814 56 A HN 0.562 nan 8.150 nan 0.000 0.444 57 C N -0.016 119.155 119.300 -0.215 0.000 2.522 57 C HA 0.087 4.547 4.460 -0.000 0.000 0.271 57 C C 0.802 175.758 174.990 -0.057 0.000 1.425 57 C CA 0.021 58.936 59.018 -0.171 0.000 1.751 57 C CB -1.185 26.375 27.740 -0.301 0.000 1.775 57 C HN 0.550 nan 8.230 nan 0.000 0.557 58 D N 0.374 120.766 120.400 -0.014 0.000 2.443 58 D HA 0.319 4.959 4.640 -0.000 0.000 0.221 58 D C 1.159 177.504 176.300 0.076 0.000 1.097 58 D CA -0.019 54.040 54.000 0.098 0.000 0.865 58 D CB 0.686 41.651 40.800 0.274 0.000 1.034 58 D HN 0.304 nan 8.370 nan 0.000 0.511 59 R N 3.210 123.741 120.500 0.052 0.000 2.316 59 R HA -0.016 4.324 4.340 -0.000 0.000 0.202 59 R C 1.310 177.624 176.300 0.024 0.000 1.029 59 R CA 0.824 56.942 56.100 0.030 0.000 1.018 59 R CB -0.766 29.546 30.300 0.021 0.000 0.888 59 R HN 0.531 nan 8.270 nan 0.000 0.471 60 E N 1.092 121.314 120.200 0.036 0.000 2.427 60 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 60 E C -0.358 176.236 176.600 -0.010 0.000 1.028 60 E CA -0.070 56.333 56.400 0.005 0.000 0.864 60 E CB 0.039 29.736 29.700 -0.005 0.000 0.813 60 E HN 0.475 nan 8.360 nan 0.000 0.514 61 N N 2.056 120.773 118.700 0.028 0.000 2.416 61 N HA 0.019 4.759 4.740 -0.000 0.000 0.265 61 N C 0.743 176.258 175.510 0.007 0.000 1.195 61 N CA 0.277 53.342 53.050 0.025 0.000 0.943 61 N CB 1.023 39.559 38.487 0.080 0.000 1.115 61 N HN 0.111 nan 8.380 nan 0.000 0.481 62 K N 0.521 120.918 120.400 -0.006 0.000 2.262 62 K HA 0.114 4.434 4.320 -0.000 0.000 0.200 62 K C 0.372 176.964 176.600 -0.013 0.000 1.049 62 K CA 0.466 56.746 56.287 -0.011 0.000 0.979 62 K CB 0.703 33.197 32.500 -0.010 0.000 0.773 62 K HN 0.274 nan 8.250 nan 0.000 0.474 63 V N 0.527 120.432 119.914 -0.014 0.000 3.098 63 V HA 0.264 4.384 4.120 -0.000 0.000 0.294 63 V C -1.951 174.122 176.094 -0.035 0.000 1.351 63 V CA -0.890 61.394 62.300 -0.027 0.000 0.999 63 V CB 2.308 34.112 31.823 -0.032 0.000 1.104 63 V HN -0.235 nan 8.190 nan 0.000 0.438 64 V N 6.739 126.628 119.914 -0.042 0.000 2.495 64 V HA 0.604 4.723 4.120 -0.000 0.000 0.298 64 V C -0.272 175.776 176.094 -0.076 0.000 1.031 64 V CA -0.459 61.820 62.300 -0.035 0.000 0.871 64 V CB 1.722 33.547 31.823 0.004 0.000 0.988 64 V HN 0.702 nan 8.190 nan 0.000 0.432 65 I N 5.320 125.818 120.570 -0.119 0.000 2.362 65 I HA 0.410 4.580 4.170 -0.000 0.000 0.289 65 I C -0.732 175.369 176.117 -0.027 0.000 0.994 65 I CA -0.608 60.610 61.300 -0.137 0.000 1.158 65 I CB 1.708 39.511 38.000 -0.329 0.000 1.315 65 I HN 0.397 nan 8.210 nan 0.000 0.451 66 L N 6.965 128.218 121.223 0.051 0.000 2.272 66 L HA 0.655 4.995 4.340 -0.000 0.000 0.289 66 L C -0.217 176.799 176.870 0.242 0.000 1.032 66 L CA 0.630 55.570 54.840 0.166 0.000 0.810 66 L CB 1.376 43.570 42.059 0.225 0.000 1.205 66 L HN 0.663 nan 8.230 nan 0.000 0.422 67 T N 2.443 117.128 114.554 0.219 0.000 2.812 67 T HA 0.842 5.192 4.350 -0.000 0.000 0.294 67 T C -0.273 174.452 174.700 0.042 0.000 1.159 67 T CA -0.022 62.238 62.100 0.265 0.000 1.008 67 T CB 1.340 70.303 68.868 0.158 0.000 1.289 67 T HN 0.790 nan 8.240 nan 0.000 0.514 68 G N -0.132 108.664 108.800 -0.007 0.000 2.971 68 G HA2 0.660 4.620 3.960 -0.000 0.000 0.235 68 G HA3 0.660 4.620 3.960 -0.000 0.000 0.235 68 G C -0.875 174.021 174.900 -0.007 0.000 1.351 68 G CA -0.357 44.628 45.100 -0.191 0.000 1.039 68 G HN 0.788 nan 8.290 nan 0.000 0.563 69 T N -2.081 112.472 114.554 -0.002 0.000 2.900 69 T HA 0.629 4.979 4.350 -0.000 0.000 0.303 69 T C 0.303 175.029 174.700 0.043 0.000 1.142 69 T CA 1.399 63.521 62.100 0.037 0.000 1.007 69 T CB 0.903 69.793 68.868 0.038 0.000 1.156 69 T HN 2.368 nan 8.240 nan 0.000 0.490 70 G N 4.149 112.977 108.800 0.047 0.000 2.642 70 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.231 70 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.231 70 G C -1.900 173.029 174.900 0.049 0.000 1.338 70 G CA -0.009 45.117 45.100 0.044 0.000 0.883 70 G HN 0.668 nan 8.290 nan 0.000 0.570 71 P HA 0.200 nan 4.420 nan 0.000 0.236 71 P C 0.523 177.853 177.300 0.050 0.000 1.177 71 P CA 1.103 64.228 63.100 0.043 0.000 0.773 71 P CB 0.298 32.018 31.700 0.033 0.000 0.878 72 S N -0.784 114.953 115.700 0.061 0.000 2.536 72 S HA 0.346 4.815 4.470 -0.000 0.000 0.298 72 S C 0.086 174.761 174.600 0.126 0.000 1.083 72 S CA -0.514 57.736 58.200 0.082 0.000 0.995 72 S CB 1.341 64.581 63.200 0.066 0.000 1.058 72 S HN -0.076 nan 8.310 nan 0.000 0.488 73 F N 1.684 121.636 119.950 0.004 0.000 2.098 73 F HA 0.226 4.752 4.527 -0.000 0.000 0.294 73 F C 0.901 176.739 175.800 0.064 0.000 1.107 73 F CA 0.657 58.676 58.000 0.032 0.000 1.234 73 F CB 0.270 39.274 39.000 0.006 0.000 1.002 73 F HN 0.582 nan 8.300 nan 0.000 0.472 74 C N 2.655 122.122 119.300 0.279 0.000 3.080 74 C HA 0.298 4.758 4.460 -0.000 0.000 0.388 74 C C -0.628 174.441 174.990 0.133 0.000 1.079 74 C CA -0.313 58.806 59.018 0.167 0.000 1.289 74 C CB -0.683 27.176 27.740 0.198 0.000 1.702 74 C HN 0.620 nan 8.230 nan 0.000 0.516 75 N N 2.479 121.232 118.700 0.089 0.000 2.305 75 N HA 0.256 4.996 4.740 -0.000 0.000 0.248 75 N C -0.450 175.085 175.510 0.043 0.000 1.290 75 N CA -0.138 52.943 53.050 0.050 0.000 0.873 75 N CB 0.256 38.764 38.487 0.035 0.000 1.261 75 N HN 0.817 nan 8.380 nan 0.000 0.504 76 E N 0.284 120.521 120.200 0.061 0.000 2.369 76 E HA 0.598 4.948 4.350 -0.000 0.000 0.270 76 E C -1.261 175.379 176.600 0.068 0.000 0.909 76 E CA -0.850 55.580 56.400 0.050 0.000 0.775 76 E CB 2.905 32.634 29.700 0.049 0.000 1.270 76 E HN 0.177 nan 8.360 nan 0.000 0.445 77 I N 0.730 121.307 120.570 0.010 0.000 2.802 77 I HA 0.294 4.464 4.170 -0.000 0.000 0.298 77 I C -1.779 174.294 176.117 -0.072 0.000 1.176 77 I CA -0.653 60.626 61.300 -0.035 0.000 1.025 77 I CB 2.098 39.929 38.000 -0.282 0.000 1.243 77 I HN 0.466 nan 8.210 nan 0.000 0.424 78 D N 5.523 125.896 120.400 -0.044 0.000 2.477 78 D HA 0.222 4.862 4.640 -0.000 0.000 0.239 78 D C 0.512 176.836 176.300 0.040 0.000 1.102 78 D CA -0.224 53.765 54.000 -0.018 0.000 0.901 78 D CB 0.429 41.200 40.800 -0.049 0.000 1.026 78 D HN 0.353 nan 8.370 nan 0.000 0.515 79 F N 1.128 121.185 119.950 0.179 0.000 2.202 79 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 79 F C 2.695 178.600 175.800 0.175 0.000 1.082 79 F CA 1.677 59.813 58.000 0.227 0.000 1.313 79 F CB -0.628 38.461 39.000 0.147 0.000 1.024 79 F HN 0.427 nan 8.300 nan 0.000 0.495 80 T N -3.299 111.402 114.554 0.245 0.000 3.035 80 T HA -0.107 4.242 4.350 -0.000 0.000 0.268 80 T C 1.988 176.709 174.700 0.035 0.000 1.109 80 T CA 0.958 63.136 62.100 0.130 0.000 1.119 80 T CB -0.733 68.179 68.868 0.073 0.000 0.900 80 T HN 0.285 nan 8.240 nan 0.000 0.503 81 S N -0.137 115.524 115.700 -0.065 0.000 2.561 81 S HA 0.244 4.714 4.470 -0.000 0.000 0.225 81 S C 0.096 174.446 174.600 -0.416 0.000 0.977 81 S CA -0.633 57.397 58.200 -0.284 0.000 0.926 81 S CB -0.709 62.213 63.200 -0.463 0.000 0.769 81 S HN 0.459 nan 8.310 nan 0.000 0.533 82 F N 1.914 121.863 119.950 -0.001 0.000 2.470 82 F HA 0.508 5.035 4.527 -0.000 0.000 0.329 82 F C 0.274 176.055 175.800 -0.032 0.000 1.072 82 F CA -1.332 56.645 58.000 -0.038 0.000 0.989 82 F CB 1.077 40.073 39.000 -0.008 0.000 1.193 82 F HN -0.012 nan 8.300 nan 0.000 0.481 83 N N 2.499 121.265 118.700 0.109 0.000 2.479 83 N HA 0.468 5.208 4.740 -0.000 0.000 0.261 83 N C -0.594 174.874 175.510 -0.070 0.000 0.979 83 N CA -0.357 52.714 53.050 0.036 0.000 0.930 83 N CB 1.174 39.669 38.487 0.014 0.000 1.172 83 N HN 0.501 nan 8.380 nan 0.000 0.499 84 L N 0.850 122.078 121.223 0.008 0.000 3.122 84 L HA 0.398 4.738 4.340 -0.000 0.000 0.274 84 L C 1.572 178.670 176.870 0.379 0.000 1.222 84 L CA -0.158 54.710 54.840 0.046 0.000 1.028 84 L CB 0.604 42.775 42.059 0.185 0.000 1.386 84 L HN 0.647 nan 8.230 nan 0.000 0.578 85 G N -0.026 108.916 108.800 0.237 0.000 2.656 85 G HA2 0.031 3.991 3.960 -0.000 0.000 0.211 85 G HA3 0.031 3.991 3.960 -0.000 0.000 0.211 85 G C 0.686 175.724 174.900 0.230 0.000 1.137 85 G CA 0.848 46.075 45.100 0.213 0.000 0.802 85 G HN 0.316 nan 8.290 nan 0.000 0.527 86 T N -2.953 111.762 114.554 0.268 0.000 2.916 86 T HA 0.571 4.921 4.350 -0.000 0.000 0.292 86 T C -2.257 172.630 174.700 0.312 0.000 1.055 86 T CA -1.668 60.572 62.100 0.234 0.000 1.009 86 T CB 2.777 71.750 68.868 0.175 0.000 1.118 86 T HN -0.182 nan 8.240 nan 0.000 0.497 87 P HA -0.066 nan 4.420 nan 0.000 0.218 87 P C 1.184 178.613 177.300 0.214 0.000 1.148 87 P CA 1.266 64.492 63.100 0.211 0.000 0.822 87 P CB -0.144 31.627 31.700 0.118 0.000 0.784 88 H N 0.108 119.252 119.070 0.124 0.000 2.265 88 H HA -0.168 4.388 4.556 -0.000 0.000 0.295 88 H C 1.606 176.988 175.328 0.090 0.000 1.084 88 H CA 2.286 58.387 56.048 0.089 0.000 1.261 88 H CB -0.465 29.330 29.762 0.055 0.000 1.360 88 H HN -0.038 nan 8.280 nan 0.000 0.487 89 D N -0.381 120.175 120.400 0.259 0.000 2.126 89 D HA -0.220 4.420 4.640 -0.000 0.000 0.190 89 D C 1.980 178.284 176.300 0.006 0.000 1.001 89 D CA 1.475 55.539 54.000 0.107 0.000 0.841 89 D CB -0.740 40.093 40.800 0.055 0.000 0.949 89 D HN 0.529 nan 8.370 nan 0.000 0.446 90 W N 0.738 122.089 121.300 0.084 0.000 2.436 90 W HA -0.064 4.596 4.660 -0.000 0.000 0.284 90 W C 2.109 178.668 176.519 0.067 0.000 1.225 90 W CA 0.653 58.044 57.345 0.076 0.000 1.271 90 W CB -0.211 29.287 29.460 0.064 0.000 1.114 90 W HN -0.017 nan 8.180 nan 0.000 0.559 91 D N 0.456 120.977 120.400 0.202 0.000 2.178 91 D HA -0.172 4.467 4.640 -0.000 0.000 0.201 91 D C 2.246 178.624 176.300 0.130 0.000 0.980 91 D CA 2.055 56.135 54.000 0.133 0.000 0.842 91 D CB -0.053 40.753 40.800 0.010 0.000 0.948 91 D HN 0.233 nan 8.370 nan 0.000 0.472 92 E N 0.291 120.532 120.200 0.067 0.000 2.072 92 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 92 E C 2.245 178.941 176.600 0.160 0.000 0.985 92 E CA 1.235 57.696 56.400 0.102 0.000 0.801 92 E CB -0.876 28.852 29.700 0.047 0.000 0.750 92 E HN 0.481 nan 8.360 nan 0.000 0.452 93 I N -0.005 120.610 120.570 0.075 0.000 2.202 93 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 93 I C 2.700 178.965 176.117 0.247 0.000 1.091 93 I CA 1.177 62.511 61.300 0.057 0.000 1.368 93 I CB -0.232 37.626 38.000 -0.237 0.000 1.058 93 I HN 0.228 nan 8.210 nan 0.000 0.410 94 I N 0.158 120.918 120.570 0.316 0.000 2.127 94 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 94 I C 2.521 178.797 176.117 0.266 0.000 1.075 94 I CA 1.769 63.255 61.300 0.310 0.000 1.334 94 I CB -0.419 37.752 38.000 0.286 0.000 1.040 94 I HN 0.141 nan 8.210 nan 0.000 0.405 95 F N 1.724 121.750 119.950 0.127 0.000 2.102 95 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 95 F C 2.543 178.402 175.800 0.097 0.000 1.105 95 F CA 1.678 59.731 58.000 0.089 0.000 1.239 95 F CB -0.133 38.903 39.000 0.059 0.000 0.991 95 F HN 0.006 nan 8.300 nan 0.000 0.474 96 E N -0.094 120.243 120.200 0.228 0.000 2.285 96 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 96 E C 2.453 179.160 176.600 0.179 0.000 0.997 96 E CA 0.854 57.350 56.400 0.160 0.000 0.845 96 E CB -0.815 29.090 29.700 0.342 0.000 0.782 96 E HN 0.531 nan 8.360 nan 0.000 0.491 97 G N 1.108 110.085 108.800 0.294 0.000 2.403 97 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 97 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 97 G C 1.554 176.537 174.900 0.137 0.000 1.154 97 G CA 0.324 45.611 45.100 0.313 0.000 0.784 97 G HN 0.230 nan 8.290 nan 0.000 0.538 98 Q N -0.128 119.705 119.800 0.055 0.000 2.050 98 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 98 Q C 2.818 178.755 176.000 -0.104 0.000 0.980 98 Q CA 0.994 56.782 55.803 -0.025 0.000 0.840 98 Q CB -0.118 28.569 28.738 -0.084 0.000 0.898 98 Q HN 0.360 nan 8.270 nan 0.000 0.424 99 R N 0.129 120.502 120.500 -0.210 0.000 2.092 99 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 99 R C 2.300 178.530 176.300 -0.115 0.000 1.119 99 R CA 0.818 56.775 56.100 -0.238 0.000 0.970 99 R CB -0.418 29.644 30.300 -0.396 0.000 0.864 99 R HN 0.181 nan 8.270 nan 0.000 0.440 100 L N 1.203 122.375 121.223 -0.084 0.000 1.990 100 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 100 L C 1.933 178.861 176.870 0.096 0.000 1.072 100 L CA 1.865 56.693 54.840 -0.020 0.000 0.755 100 L CB -0.358 41.606 42.059 -0.159 0.000 0.889 100 L HN 0.134 nan 8.230 nan 0.000 0.432 101 L N -1.089 120.155 121.223 0.035 0.000 2.209 101 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 101 L C 2.180 179.023 176.870 -0.046 0.000 1.094 101 L CA 0.477 55.319 54.840 0.005 0.000 0.790 101 L CB -0.703 41.369 42.059 0.021 0.000 0.932 101 L HN 0.328 nan 8.230 nan 0.000 0.447 102 N N 0.532 119.205 118.700 -0.045 0.000 2.216 102 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 102 N C 1.570 177.047 175.510 -0.054 0.000 1.017 102 N CA 1.020 54.033 53.050 -0.061 0.000 0.861 102 N CB -0.342 38.103 38.487 -0.070 0.000 0.986 102 N HN 0.284 nan 8.380 nan 0.000 0.428 103 N N 1.139 119.825 118.700 -0.023 0.000 2.188 103 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 103 N C 1.759 177.252 175.510 -0.029 0.000 1.018 103 N CA 0.269 53.336 53.050 0.028 0.000 0.858 103 N CB -0.537 38.009 38.487 0.100 0.000 0.989 103 N HN 0.156 nan 8.380 nan 0.000 0.426 104 L N 1.043 122.184 121.223 -0.137 0.000 2.012 104 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 104 L C 1.777 178.461 176.870 -0.310 0.000 1.073 104 L CA 1.516 56.039 54.840 -0.529 0.000 0.748 104 L CB -0.688 40.984 42.059 -0.645 0.000 0.891 104 L HN 0.138 nan 8.230 nan 0.000 0.431 105 L N -0.607 120.502 121.223 -0.190 0.000 2.376 105 L HA -0.082 4.258 4.340 -0.000 0.000 0.219 105 L C 2.399 179.206 176.870 -0.103 0.000 1.133 105 L CA 0.991 55.745 54.840 -0.143 0.000 0.816 105 L CB -0.598 41.389 42.059 -0.120 0.000 0.933 105 L HN 0.506 nan 8.230 nan 0.000 0.449 106 S N -0.584 115.067 115.700 -0.083 0.000 2.522 106 S HA 0.063 4.533 4.470 -0.000 0.000 0.227 106 S C 0.906 175.477 174.600 -0.048 0.000 0.986 106 S CA -0.245 57.926 58.200 -0.048 0.000 0.929 106 S CB -0.503 62.688 63.200 -0.015 0.000 0.769 106 S HN 0.232 nan 8.310 nan 0.000 0.529 107 I N 2.609 123.133 120.570 -0.078 0.000 2.662 107 I HA 0.040 4.210 4.170 -0.000 0.000 0.285 107 I C 1.029 177.116 176.117 -0.050 0.000 1.161 107 I CA 0.405 61.664 61.300 -0.068 0.000 1.415 107 I CB 0.478 38.415 38.000 -0.105 0.000 1.385 107 I HN 0.330 nan 8.210 nan 0.000 0.552 108 E N 5.611 125.797 120.200 -0.023 0.000 2.451 108 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 108 E C -0.345 176.258 176.600 0.005 0.000 1.027 108 E CA -0.056 56.345 56.400 0.001 0.000 0.914 108 E CB 0.554 30.270 29.700 0.028 0.000 1.054 108 E HN 0.564 nan 8.360 nan 0.000 0.461 109 V N -2.526 117.380 119.914 -0.013 0.000 3.046 109 V HA 0.585 4.704 4.120 -0.000 0.000 0.316 109 V C -2.843 173.234 176.094 -0.029 0.000 1.104 109 V CA -3.171 59.119 62.300 -0.016 0.000 1.006 109 V CB 1.487 33.301 31.823 -0.015 0.000 1.058 109 V HN -0.186 nan 8.190 nan 0.000 0.440 110 P HA 0.275 nan 4.420 nan 0.000 0.268 110 P C -0.818 176.453 177.300 -0.048 0.000 1.205 110 P CA 0.120 63.197 63.100 -0.037 0.000 0.771 110 P CB 0.683 32.364 31.700 -0.031 0.000 0.858 111 V N 5.261 125.140 119.914 -0.059 0.000 2.448 111 V HA 0.381 4.500 4.120 -0.000 0.000 0.295 111 V C 0.256 176.315 176.094 -0.058 0.000 1.025 111 V CA -0.427 61.834 62.300 -0.065 0.000 0.859 111 V CB 1.343 33.111 31.823 -0.092 0.000 0.988 111 V HN 0.381 nan 8.190 nan 0.000 0.431 112 I N 4.097 124.634 120.570 -0.055 0.000 2.354 112 I HA 0.691 4.861 4.170 -0.000 0.000 0.292 112 I C 0.442 176.543 176.117 -0.027 0.000 0.989 112 I CA -0.431 60.840 61.300 -0.049 0.000 1.188 112 I CB 1.768 39.727 38.000 -0.069 0.000 1.342 112 I HN 0.676 nan 8.210 nan 0.000 0.457 113 A N 5.218 128.032 122.820 -0.011 0.000 2.301 113 A HA 0.855 5.175 4.320 -0.000 0.000 0.312 113 A C -0.198 177.407 177.584 0.034 0.000 1.182 113 A CA -0.494 51.560 52.037 0.027 0.000 0.826 113 A CB 1.020 20.021 19.000 0.002 0.000 1.134 113 A HN 0.806 nan 8.150 nan 0.000 0.501 114 A N 2.541 125.411 122.820 0.083 0.000 2.483 114 A HA 0.559 4.879 4.320 -0.000 0.000 0.308 114 A C -0.696 176.981 177.584 0.154 0.000 1.291 114 A CA -0.349 51.742 52.037 0.091 0.000 0.774 114 A CB 0.418 19.461 19.000 0.072 0.000 1.134 114 A HN 0.939 nan 8.150 nan 0.000 0.471 115 V N 4.791 124.754 119.914 0.082 0.000 2.322 115 V HA 0.073 4.193 4.120 -0.000 0.000 0.258 115 V C 1.168 177.314 176.094 0.088 0.000 1.074 115 V CA -0.288 62.027 62.300 0.024 0.000 0.909 115 V CB 0.050 31.785 31.823 -0.146 0.000 1.090 115 V HN 0.960 nan 8.190 nan 0.000 0.486 116 N N 3.739 122.565 118.700 0.210 0.000 2.494 116 N HA 0.084 4.824 4.740 -0.000 0.000 0.182 116 N C 0.552 176.118 175.510 0.095 0.000 1.076 116 N CA 0.921 54.057 53.050 0.143 0.000 0.908 116 N CB 1.100 39.683 38.487 0.159 0.000 0.967 116 N HN 0.661 nan 8.380 nan 0.000 0.449 117 G N -0.375 108.475 108.800 0.083 0.000 2.427 117 G HA2 0.336 4.296 3.960 -0.000 0.000 0.306 117 G HA3 0.336 4.296 3.960 -0.000 0.000 0.306 117 G C -3.312 171.565 174.900 -0.038 0.000 1.280 117 G CA -0.935 44.180 45.100 0.026 0.000 0.837 117 G HN -0.118 nan 8.290 nan 0.000 0.482 118 P HA 0.302 nan 4.420 nan 0.000 0.264 118 P C -0.497 176.791 177.300 -0.021 0.000 1.183 118 P CA 0.085 63.133 63.100 -0.086 0.000 0.763 118 P CB 1.278 32.960 31.700 -0.031 0.000 0.807 119 V N 3.596 123.451 119.914 -0.097 0.000 2.577 119 V HA 0.420 4.540 4.120 -0.000 0.000 0.303 119 V C 0.632 176.749 176.094 0.040 0.000 1.042 119 V CA 0.107 62.433 62.300 0.043 0.000 0.872 119 V CB 1.861 33.720 31.823 0.060 0.000 0.998 119 V HN 0.733 nan 8.190 nan 0.000 0.423 120 T N 1.681 116.255 114.554 0.033 0.000 2.975 120 T HA 0.347 4.697 4.350 -0.000 0.000 0.261 120 T C 0.343 174.988 174.700 -0.092 0.000 0.984 120 T CA -0.197 61.894 62.100 -0.015 0.000 0.911 120 T CB -0.034 68.811 68.868 -0.037 0.000 1.127 120 T HN 0.520 nan 8.240 nan 0.000 0.514 121 N N 2.510 121.129 118.700 -0.135 0.000 2.424 121 N HA 0.218 4.958 4.740 -0.000 0.000 0.271 121 N C -0.666 174.607 175.510 -0.394 0.000 0.985 121 N CA -0.431 52.376 53.050 -0.406 0.000 0.921 121 N CB 0.507 38.648 38.487 -0.576 0.000 1.149 121 N HN 0.257 nan 8.380 nan 0.000 0.492 122 H N 0.570 119.409 119.070 -0.384 0.000 2.527 122 H HA -0.083 4.473 4.556 -0.000 0.000 0.321 122 H C -1.319 174.061 175.328 0.087 0.000 1.092 122 H CA 0.134 56.109 56.048 -0.121 0.000 1.118 122 H CB -0.582 29.024 29.762 -0.259 0.000 1.536 122 H HN 0.572 nan 8.280 nan 0.000 0.407 123 P HA -0.144 nan 4.420 nan 0.000 0.226 123 P C 1.514 179.099 177.300 0.474 0.000 1.153 123 P CA 1.219 64.587 63.100 0.448 0.000 0.777 123 P CB 0.214 32.289 31.700 0.624 0.000 0.794 124 E N 0.852 121.272 120.200 0.367 0.000 2.268 124 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 124 E C 1.943 178.492 176.600 -0.084 0.000 0.995 124 E CA 0.655 56.998 56.400 -0.095 0.000 0.836 124 E CB -1.117 28.519 29.700 -0.107 0.000 0.763 124 E HN 0.283 nan 8.360 nan 0.000 0.491 125 I N 2.207 122.837 120.570 0.100 0.000 2.113 125 I HA -0.188 3.982 4.170 -0.000 0.000 0.238 125 I C -0.317 175.811 176.117 0.018 0.000 1.070 125 I CA 1.689 63.047 61.300 0.096 0.000 1.332 125 I CB -1.409 36.741 38.000 0.250 0.000 1.044 125 I HN 0.145 nan 8.210 nan 0.000 0.402 126 P HA -0.143 nan 4.420 nan 0.000 0.216 126 P C 1.621 178.856 177.300 -0.108 0.000 1.150 126 P CA 1.756 64.821 63.100 -0.058 0.000 0.837 126 P CB -0.348 31.219 31.700 -0.222 0.000 0.786 127 V N -4.958 114.839 119.914 -0.195 0.000 3.573 127 V HA 0.058 4.178 4.120 -0.000 0.000 0.270 127 V C 2.175 178.093 176.094 -0.292 0.000 1.221 127 V CA 0.870 62.981 62.300 -0.316 0.000 1.163 127 V CB -1.504 29.972 31.823 -0.579 0.000 0.847 127 V HN -0.084 nan 8.190 nan 0.000 0.468 128 M N 0.948 120.405 119.600 -0.238 0.000 2.557 128 M HA 0.083 4.563 4.480 -0.000 0.000 0.259 128 M C 1.018 177.228 176.300 -0.151 0.000 1.086 128 M CA 0.313 55.496 55.300 -0.194 0.000 1.096 128 M CB -0.118 32.372 32.600 -0.184 0.000 1.424 128 M HN 0.406 nan 8.290 nan 0.000 0.488 129 S N 0.902 116.523 115.700 -0.131 0.000 2.584 129 S HA -0.007 4.463 4.470 -0.000 0.000 0.270 129 S C 0.758 175.304 174.600 -0.090 0.000 1.346 129 S CA -0.603 57.535 58.200 -0.103 0.000 1.018 129 S CB 0.620 63.774 63.200 -0.077 0.000 0.899 129 S HN 0.294 nan 8.310 nan 0.000 0.542 130 D N 0.443 120.798 120.400 -0.075 0.000 2.178 130 D HA 0.047 4.687 4.640 -0.000 0.000 0.202 130 D C 0.284 176.552 176.300 -0.053 0.000 0.974 130 D CA 1.216 55.180 54.000 -0.060 0.000 0.841 130 D CB 0.125 40.895 40.800 -0.051 0.000 0.953 130 D HN 0.377 nan 8.370 nan 0.000 0.478 131 I N 0.833 121.373 120.570 -0.051 0.000 2.499 131 I HA 0.167 4.336 4.170 -0.000 0.000 0.288 131 I C -0.984 175.109 176.117 -0.040 0.000 1.048 131 I CA -0.719 60.556 61.300 -0.041 0.000 1.062 131 I CB 3.077 41.058 38.000 -0.032 0.000 1.238 131 I HN -0.396 nan 8.210 nan 0.000 0.426 132 V N 7.179 127.070 119.914 -0.037 0.000 2.376 132 V HA 0.478 4.598 4.120 -0.000 0.000 0.287 132 V C -0.193 175.903 176.094 0.003 0.000 1.015 132 V CA -0.471 61.813 62.300 -0.027 0.000 0.834 132 V CB 1.559 33.346 31.823 -0.060 0.000 1.001 132 V HN 0.462 nan 8.190 nan 0.000 0.428 133 L N 4.113 125.349 121.223 0.022 0.000 2.334 133 L HA 0.963 5.303 4.340 -0.000 0.000 0.276 133 L C 0.135 177.045 176.870 0.066 0.000 1.014 133 L CA -0.581 54.282 54.840 0.039 0.000 0.815 133 L CB 1.945 44.023 42.059 0.031 0.000 1.268 133 L HN 0.705 nan 8.230 nan 0.000 0.428 134 A N 1.849 124.714 122.820 0.076 0.000 2.414 134 A HA 0.861 5.181 4.320 -0.000 0.000 0.306 134 A C -0.350 177.271 177.584 0.062 0.000 1.054 134 A CA -0.513 51.577 52.037 0.088 0.000 0.724 134 A CB 1.619 20.710 19.000 0.153 0.000 1.267 134 A HN 0.777 nan 8.150 nan 0.000 0.418 135 A N 0.760 123.610 122.820 0.049 0.000 2.406 135 A HA 0.440 4.760 4.320 -0.000 0.000 0.243 135 A C 1.004 178.607 177.584 0.032 0.000 1.082 135 A CA -0.107 51.955 52.037 0.041 0.000 0.786 135 A CB 0.043 19.067 19.000 0.041 0.000 1.029 135 A HN 0.862 nan 8.150 nan 0.000 0.495 136 E N 0.849 121.067 120.200 0.029 0.000 2.187 136 E HA -0.192 4.157 4.350 -0.000 0.000 0.199 136 E C 2.056 178.665 176.600 0.014 0.000 1.004 136 E CA 1.903 58.318 56.400 0.024 0.000 0.813 136 E CB -0.282 29.431 29.700 0.022 0.000 0.736 136 E HN 0.817 nan 8.360 nan 0.000 0.468 137 S N -0.207 115.499 115.700 0.009 0.000 2.593 137 S HA 0.284 4.754 4.470 -0.000 0.000 0.217 137 S C 0.898 175.477 174.600 -0.034 0.000 0.966 137 S CA 0.094 58.292 58.200 -0.003 0.000 0.914 137 S CB 0.136 63.339 63.200 0.006 0.000 0.776 137 S HN 0.209 nan 8.310 nan 0.000 0.523 138 A N 2.117 124.904 122.820 -0.055 0.000 2.462 138 A HA 0.551 4.871 4.320 -0.000 0.000 0.243 138 A C 0.644 178.099 177.584 -0.214 0.000 1.076 138 A CA 0.149 52.083 52.037 -0.171 0.000 0.773 138 A CB 0.042 18.926 19.000 -0.193 0.000 1.010 138 A HN 0.696 nan 8.150 nan 0.000 0.493 139 T N -1.210 113.118 114.554 -0.377 0.000 2.883 139 T HA 0.754 5.104 4.350 -0.000 0.000 0.301 139 T C -0.838 173.503 174.700 -0.598 0.000 1.158 139 T CA -0.571 61.348 62.100 -0.303 0.000 1.007 139 T CB 1.103 69.913 68.868 -0.096 0.000 1.186 139 T HN 0.421 nan 8.240 nan 0.000 0.499 140 F N 0.608 120.595 119.950 0.063 0.000 2.547 140 F HA 0.752 5.279 4.527 -0.000 0.000 0.316 140 F C 0.078 175.975 175.800 0.161 0.000 1.121 140 F CA -0.696 57.373 58.000 0.114 0.000 0.911 140 F CB 2.423 41.494 39.000 0.118 0.000 1.179 140 F HN 0.631 nan 8.300 nan 0.000 0.443 141 Q N 1.534 121.486 119.800 0.253 0.000 2.426 141 Q HA 0.188 4.528 4.340 -0.000 0.000 0.278 141 Q C -1.833 174.067 176.000 -0.168 0.000 1.007 141 Q CA -0.386 55.405 55.803 -0.021 0.000 0.850 141 Q CB 2.657 31.368 28.738 -0.045 0.000 1.427 141 Q HN 0.781 nan 8.270 nan 0.000 0.391 142 D N 0.943 121.055 120.400 -0.480 0.000 2.643 142 D HA 0.291 4.931 4.640 -0.000 0.000 0.244 142 D C 1.241 177.402 176.300 -0.232 0.000 1.257 142 D CA 0.576 54.378 54.000 -0.330 0.000 0.831 142 D CB 0.189 40.735 40.800 -0.423 0.000 1.043 142 D HN 0.764 nan 8.370 nan 0.000 0.488 143 G N 1.388 110.073 108.800 -0.190 0.000 2.469 143 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 143 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 143 G C -0.614 174.230 174.900 -0.092 0.000 1.136 143 G CA 0.379 45.406 45.100 -0.122 0.000 0.759 143 G HN 0.345 nan 8.290 nan 0.000 0.562 144 P HA -0.011 nan 4.420 nan 0.000 0.226 144 P C 0.580 177.787 177.300 -0.155 0.000 1.146 144 P CA 0.967 63.988 63.100 -0.131 0.000 0.773 144 P CB 0.021 31.562 31.700 -0.265 0.000 0.772 145 H N -3.104 115.977 119.070 0.019 0.000 3.897 145 H HA 0.175 4.731 4.556 -0.000 0.000 0.199 145 H C 1.281 176.643 175.328 0.057 0.000 1.454 145 H CA -0.450 55.630 56.048 0.054 0.000 1.734 145 H CB -0.822 28.977 29.762 0.062 0.000 1.492 145 H HN -0.170 nan 8.280 nan 0.000 0.527 146 F N 1.884 121.884 119.950 0.083 0.000 2.134 146 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 146 F C -1.006 174.773 175.800 -0.035 0.000 1.097 146 F CA 0.677 58.676 58.000 -0.001 0.000 1.264 146 F CB -0.870 38.105 39.000 -0.041 0.000 1.001 146 F HN 0.183 nan 8.300 nan 0.000 0.479 147 P HA -0.098 nan 4.420 nan 0.000 0.223 147 P C 1.179 178.385 177.300 -0.158 0.000 1.144 147 P CA 1.568 64.591 63.100 -0.129 0.000 0.783 147 P CB -0.034 31.617 31.700 -0.081 0.000 0.771 148 S N -1.812 113.814 115.700 -0.123 0.000 2.577 148 S HA 0.331 4.801 4.470 -0.000 0.000 0.219 148 S C 1.419 175.930 174.600 -0.147 0.000 0.962 148 S CA 0.445 58.580 58.200 -0.109 0.000 0.921 148 S CB -0.426 62.752 63.200 -0.037 0.000 0.789 148 S HN 0.311 nan 8.310 nan 0.000 0.497 149 G N 1.787 110.434 108.800 -0.255 0.000 2.137 149 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.237 149 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.237 149 G C -0.125 174.709 174.900 -0.111 0.000 1.002 149 G CA -0.268 44.675 45.100 -0.263 0.000 0.702 149 G HN 0.440 nan 8.290 nan 0.000 0.515 150 I N 0.741 121.303 120.570 -0.013 0.000 2.474 150 I HA 0.355 4.525 4.170 -0.000 0.000 0.294 150 I C 0.952 177.184 176.117 0.191 0.000 1.005 150 I CA -0.995 60.372 61.300 0.111 0.000 1.113 150 I CB 1.829 39.944 38.000 0.192 0.000 1.289 150 I HN -0.134 nan 8.210 nan 0.000 0.436 151 V N 8.067 128.054 119.914 0.122 0.000 2.599 151 V HA 0.063 4.183 4.120 -0.000 0.000 0.300 151 V C -1.640 174.420 176.094 -0.057 0.000 1.034 151 V CA -0.763 61.581 62.300 0.073 0.000 1.115 151 V CB 0.357 32.169 31.823 -0.018 0.000 0.934 151 V HN 0.580 nan 8.190 nan 0.000 0.485 152 P HA 0.138 nan 4.420 nan 0.000 0.226 152 P C 0.644 177.773 177.300 -0.285 0.000 1.783 152 P CA 0.215 63.058 63.100 -0.429 0.000 0.980 152 P CB 0.087 31.716 31.700 -0.118 0.000 1.967 153 G N 1.349 109.981 108.800 -0.281 0.000 3.690 153 G HA2 0.016 3.975 3.960 -0.000 0.000 0.283 153 G HA3 0.016 3.975 3.960 -0.000 0.000 0.283 153 G C 0.405 175.310 174.900 0.009 0.000 1.057 153 G CA -0.263 44.641 45.100 -0.327 0.000 0.821 153 G HN 0.292 nan 8.290 nan 0.000 0.526 154 D N -1.096 119.390 120.400 0.144 0.000 2.388 154 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 154 D C 1.527 178.038 176.300 0.351 0.000 1.133 154 D CA 0.072 54.252 54.000 0.301 0.000 0.831 154 D CB 0.006 41.028 40.800 0.369 0.000 0.962 154 D HN 0.357 nan 8.370 nan 0.000 0.502 155 G N -0.306 108.713 108.800 0.365 0.000 2.316 155 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.203 155 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.203 155 G C 1.336 176.293 174.900 0.095 0.000 0.999 155 G CA 0.192 45.370 45.100 0.131 0.000 0.649 155 G HN 0.641 nan 8.290 nan 0.000 0.489 156 A N 1.267 124.236 122.820 0.248 0.000 1.940 156 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 156 A C 2.036 179.830 177.584 0.349 0.000 1.176 156 A CA 2.488 54.761 52.037 0.393 0.000 0.631 156 A CB -0.980 18.264 19.000 0.407 0.000 0.814 156 A HN 1.282 nan 8.150 nan 0.000 0.446 157 H N -1.043 118.099 119.070 0.119 0.000 2.456 157 H HA -0.010 4.546 4.556 -0.000 0.000 0.296 157 H C 1.789 177.161 175.328 0.074 0.000 1.079 157 H CA 1.674 57.772 56.048 0.083 0.000 1.322 157 H CB -1.010 28.758 29.762 0.009 0.000 1.388 157 H HN 0.267 nan 8.280 nan 0.000 0.538 158 V N 0.863 120.476 119.914 -0.501 0.000 2.379 158 V HA -0.127 3.993 4.120 -0.000 0.000 0.243 158 V C 2.961 178.957 176.094 -0.163 0.000 1.035 158 V CA 1.085 63.170 62.300 -0.359 0.000 1.035 158 V CB -0.304 31.250 31.823 -0.449 0.000 0.673 158 V HN 0.242 nan 8.190 nan 0.000 0.457 159 V N -1.304 118.503 119.914 -0.180 0.000 2.346 159 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 159 V C 2.120 178.070 176.094 -0.239 0.000 1.037 159 V CA 1.753 63.894 62.300 -0.265 0.000 1.029 159 V CB -0.677 30.886 31.823 -0.434 0.000 0.663 159 V HN 0.605 nan 8.190 nan 0.000 0.454 160 W N 0.156 121.470 121.300 0.023 0.000 2.355 160 W HA -0.070 4.590 4.660 0.000 0.000 0.309 160 W C -0.036 176.482 176.519 -0.003 0.000 1.206 160 W CA 1.265 58.612 57.345 0.002 0.000 1.284 160 W CB -1.971 27.556 29.460 0.112 0.000 1.145 160 W HN 0.320 nan 8.180 nan 0.000 0.502 161 P HA -0.220 nan 4.420 nan 0.000 0.218 161 P C 1.375 178.718 177.300 0.072 0.000 1.149 161 P CA 1.730 64.907 63.100 0.128 0.000 0.817 161 P CB -0.288 31.477 31.700 0.109 0.000 0.785 162 H N 0.004 119.046 119.070 -0.047 0.000 2.357 162 H HA -0.081 4.474 4.556 -0.000 0.000 0.301 162 H C 1.530 176.797 175.328 -0.102 0.000 1.082 162 H CA 2.027 58.023 56.048 -0.087 0.000 1.342 162 H CB 0.103 29.789 29.762 -0.126 0.000 1.389 162 H HN -0.003 nan 8.280 nan 0.000 0.511 163 V N -1.384 118.470 119.914 -0.100 0.000 2.825 163 V HA 0.012 4.132 4.120 -0.000 0.000 0.246 163 V C 2.221 178.246 176.094 -0.116 0.000 1.068 163 V CA 0.647 62.845 62.300 -0.171 0.000 1.088 163 V CB -0.313 31.373 31.823 -0.229 0.000 0.733 163 V HN 0.216 nan 8.190 nan 0.000 0.468 164 L N 1.137 122.338 121.223 -0.036 0.000 2.463 164 L HA 0.624 4.964 4.340 -0.000 0.000 0.219 164 L C 1.264 178.073 176.870 -0.102 0.000 1.088 164 L CA 0.748 55.567 54.840 -0.035 0.000 0.849 164 L CB -0.349 41.737 42.059 0.047 0.000 1.012 164 L HN 0.680 nan 8.230 nan 0.000 0.468 165 G N -0.251 108.502 108.800 -0.078 0.000 2.663 165 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.686 165 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.686 165 G C 0.374 175.252 174.900 -0.036 0.000 1.288 165 G CA -0.116 44.934 45.100 -0.083 0.000 0.836 165 G HN -0.007 nan 8.290 nan 0.000 0.584 166 S N -0.225 115.455 115.700 -0.033 0.000 2.351 166 S HA -0.163 4.307 4.470 -0.000 0.000 0.220 166 S C 2.155 176.760 174.600 0.009 0.000 1.035 166 S CA 2.432 60.629 58.200 -0.004 0.000 1.031 166 S CB -0.336 62.855 63.200 -0.016 0.000 0.928 166 S HN 0.683 nan 8.310 nan 0.000 0.433 167 N N 0.803 119.491 118.700 -0.020 0.000 2.250 167 N HA 0.119 4.859 4.740 -0.000 0.000 0.181 167 N C 1.905 177.426 175.510 0.018 0.000 1.017 167 N CA 0.754 53.800 53.050 -0.007 0.000 0.866 167 N CB -0.420 38.041 38.487 -0.044 0.000 0.985 167 N HN 0.418 nan 8.380 nan 0.000 0.429 168 R N 0.136 120.608 120.500 -0.045 0.000 2.092 168 R HA 0.019 4.359 4.340 -0.000 0.000 0.231 168 R C 2.210 178.600 176.300 0.151 0.000 1.119 168 R CA 1.312 57.397 56.100 -0.026 0.000 0.970 168 R CB -0.525 29.599 30.300 -0.293 0.000 0.864 168 R HN 0.242 nan 8.270 nan 0.000 0.440 169 G N 0.780 109.657 108.800 0.128 0.000 2.421 169 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 169 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 169 G C 1.374 176.425 174.900 0.251 0.000 1.171 169 G CA 0.384 45.621 45.100 0.229 0.000 0.775 169 G HN 0.227 nan 8.290 nan 0.000 0.543 170 R N -1.080 119.520 120.500 0.167 0.000 2.092 170 R HA -0.057 4.282 4.340 -0.000 0.000 0.231 170 R C 2.315 178.689 176.300 0.124 0.000 1.119 170 R CA 1.254 57.423 56.100 0.115 0.000 0.970 170 R CB -0.517 29.821 30.300 0.064 0.000 0.864 170 R HN 0.521 nan 8.270 nan 0.000 0.440 171 Y N 0.635 120.967 120.300 0.054 0.000 2.163 171 Y HA -0.261 4.289 4.550 -0.000 0.000 0.288 171 Y C 2.060 178.012 175.900 0.086 0.000 1.136 171 Y CA 1.481 59.612 58.100 0.052 0.000 1.147 171 Y CB -0.435 38.059 38.460 0.058 0.000 0.987 171 Y HN -0.007 nan 8.280 nan 0.000 0.509 172 F N 0.468 120.464 119.950 0.077 0.000 2.120 172 F HA -0.269 4.258 4.527 -0.000 0.000 0.300 172 F C 1.729 177.426 175.800 -0.172 0.000 1.095 172 F CA 1.951 59.907 58.000 -0.073 0.000 1.249 172 F CB -0.496 38.458 39.000 -0.078 0.000 0.995 172 F HN 0.071 nan 8.300 nan 0.000 0.480 173 L N -0.486 120.692 121.223 -0.074 0.000 2.240 173 L HA -0.124 4.215 4.340 -0.000 0.000 0.211 173 L C 2.206 178.963 176.870 -0.188 0.000 1.106 173 L CA 0.647 55.384 54.840 -0.172 0.000 0.793 173 L CB -0.452 41.617 42.059 0.018 0.000 0.927 173 L HN 0.238 nan 8.230 nan 0.000 0.446 174 L N -0.904 120.190 121.223 -0.216 0.000 2.249 174 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 174 L C 2.398 179.203 176.870 -0.109 0.000 1.090 174 L CA 1.250 55.943 54.840 -0.245 0.000 0.802 174 L CB -0.312 41.567 42.059 -0.300 0.000 0.947 174 L HN 0.349 nan 8.230 nan 0.000 0.453 175 T N -4.634 109.743 114.554 -0.295 0.000 3.040 175 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 175 T C 1.426 175.975 174.700 -0.252 0.000 1.058 175 T CA 0.461 62.376 62.100 -0.308 0.000 0.988 175 T CB 0.691 69.181 68.868 -0.631 0.000 0.993 175 T HN 0.349 nan 8.240 nan 0.000 0.519 176 G N 1.713 110.332 108.800 -0.301 0.000 2.153 176 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 176 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 176 G C -0.117 174.622 174.900 -0.268 0.000 0.994 176 G CA 0.271 45.196 45.100 -0.293 0.000 0.698 176 G HN 0.933 nan 8.290 nan 0.000 0.521 177 Q N 0.285 119.920 119.800 -0.275 0.000 2.368 177 Q HA 0.132 4.471 4.340 -0.000 0.000 0.331 177 Q C 0.283 176.277 176.000 -0.011 0.000 1.086 177 Q CA 0.735 56.497 55.803 -0.069 0.000 1.031 177 Q CB 0.261 29.069 28.738 0.116 0.000 1.125 177 Q HN 0.593 nan 8.270 nan 0.000 0.389 178 E N 4.929 125.162 120.200 0.055 0.000 2.109 178 E HA 0.239 4.589 4.350 -0.000 0.000 0.278 178 E C -1.059 175.622 176.600 0.136 0.000 0.954 178 E CA -0.456 56.000 56.400 0.093 0.000 0.779 178 E CB 0.653 30.377 29.700 0.039 0.000 1.093 178 E HN 0.598 nan 8.360 nan 0.000 0.401 179 L N 5.280 126.628 121.223 0.209 0.000 2.281 179 L HA 0.207 4.547 4.340 -0.000 0.000 0.285 179 L C 0.301 177.255 176.870 0.141 0.000 1.074 179 L CA -0.833 54.078 54.840 0.119 0.000 0.817 179 L CB 0.412 42.522 42.059 0.086 0.000 1.168 179 L HN 0.639 nan 8.230 nan 0.000 0.434 180 D N 2.622 123.053 120.400 0.051 0.000 2.411 180 D HA 0.233 4.873 4.640 -0.000 0.000 0.251 180 D C 0.961 177.308 176.300 0.079 0.000 1.201 180 D CA -0.266 53.764 54.000 0.049 0.000 0.996 180 D CB 1.057 41.866 40.800 0.015 0.000 1.101 180 D HN 0.419 nan 8.370 nan 0.000 0.504 181 A N 0.157 123.020 122.820 0.071 0.000 1.877 181 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 181 A C 2.138 179.757 177.584 0.058 0.000 1.186 181 A CA 1.209 53.310 52.037 0.106 0.000 0.620 181 A CB -0.490 18.551 19.000 0.069 0.000 0.822 181 A HN 0.508 nan 8.150 nan 0.000 0.443 182 R N -0.767 119.744 120.500 0.019 0.000 2.115 182 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 182 R C 2.089 178.362 176.300 -0.044 0.000 1.111 182 R CA 1.653 57.752 56.100 -0.002 0.000 0.976 182 R CB -1.057 29.243 30.300 -0.001 0.000 0.870 182 R HN 0.557 nan 8.270 nan 0.000 0.445 183 T N 1.253 115.748 114.554 -0.098 0.000 2.777 183 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 183 T C 1.974 176.454 174.700 -0.367 0.000 1.040 183 T CA 1.331 63.267 62.100 -0.275 0.000 1.141 183 T CB -0.131 68.529 68.868 -0.347 0.000 0.868 183 T HN 0.334 nan 8.240 nan 0.000 0.444 184 A N 1.250 123.957 122.820 -0.187 0.000 1.933 184 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 184 A C 2.225 179.771 177.584 -0.063 0.000 1.175 184 A CA 1.156 53.108 52.037 -0.142 0.000 0.628 184 A CB -0.731 18.238 19.000 -0.051 0.000 0.814 184 A HN 0.413 nan 8.150 nan 0.000 0.444 185 L N 0.227 121.435 121.223 -0.024 0.000 2.027 185 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 185 L C 1.946 178.828 176.870 0.020 0.000 1.074 185 L CA 2.805 57.646 54.840 0.001 0.000 0.745 185 L CB -0.586 41.479 42.059 0.011 0.000 0.898 185 L HN 0.465 nan 8.230 nan 0.000 0.433 186 D N -2.028 118.388 120.400 0.027 0.000 2.178 186 D HA -0.241 4.399 4.640 -0.000 0.000 0.202 186 D C 1.751 178.165 176.300 0.191 0.000 0.974 186 D CA 1.135 55.184 54.000 0.083 0.000 0.841 186 D CB -0.107 40.742 40.800 0.082 0.000 0.953 186 D HN 0.411 nan 8.370 nan 0.000 0.478 187 Y N -0.116 120.160 120.300 -0.039 0.000 2.561 187 Y HA 0.224 4.773 4.550 -0.000 0.000 0.291 187 Y C 2.119 177.976 175.900 -0.072 0.000 1.141 187 Y CA 0.676 58.743 58.100 -0.054 0.000 1.303 187 Y CB -0.151 38.271 38.460 -0.063 0.000 1.015 187 Y HN 0.153 nan 8.280 nan 0.000 0.547 188 G N -0.860 107.987 108.800 0.078 0.000 2.143 188 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.249 188 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.249 188 G C 1.356 176.226 174.900 -0.050 0.000 0.981 188 G CA 0.542 45.640 45.100 -0.004 0.000 0.665 188 G HN 0.558 nan 8.290 nan 0.000 0.528 189 A N -1.107 121.676 122.820 -0.062 0.000 2.021 189 A HA 0.620 4.940 4.320 -0.000 0.000 0.216 189 A C 1.220 178.697 177.584 -0.178 0.000 1.163 189 A CA 1.642 53.582 52.037 -0.162 0.000 0.676 189 A CB 0.358 19.224 19.000 -0.223 0.000 0.818 189 A HN 1.057 nan 8.150 nan 0.000 0.453 190 V N 0.480 120.324 119.914 -0.117 0.000 2.581 190 V HA 0.195 4.315 4.120 -0.000 0.000 0.303 190 V C 0.378 176.454 176.094 -0.029 0.000 1.041 190 V CA -0.420 61.845 62.300 -0.058 0.000 0.907 190 V CB 1.510 33.334 31.823 0.003 0.000 0.994 190 V HN 0.559 nan 8.190 nan 0.000 0.442 191 N N 1.910 120.599 118.700 -0.019 0.000 2.387 191 N HA 0.139 4.879 4.740 -0.000 0.000 0.176 191 N C -0.202 175.310 175.510 0.003 0.000 1.022 191 N CA 0.296 53.338 53.050 -0.012 0.000 0.883 191 N CB 0.538 39.014 38.487 -0.017 0.000 1.019 191 N HN 0.716 nan 8.380 nan 0.000 0.435 192 E N 0.238 120.446 120.200 0.013 0.000 2.331 192 E HA 0.402 4.752 4.350 -0.000 0.000 0.275 192 E C -1.506 175.114 176.600 0.034 0.000 0.895 192 E CA -0.623 55.789 56.400 0.021 0.000 0.753 192 E CB 3.137 32.849 29.700 0.021 0.000 1.216 192 E HN -0.229 nan 8.360 nan 0.000 0.434 193 V N 3.656 123.590 119.914 0.034 0.000 2.417 193 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 193 V C -0.482 175.633 176.094 0.035 0.000 1.024 193 V CA -0.546 61.778 62.300 0.040 0.000 0.861 193 V CB 0.939 32.785 31.823 0.037 0.000 0.985 193 V HN 0.490 nan 8.190 nan 0.000 0.436 194 L N 3.170 124.416 121.223 0.039 0.000 2.350 194 L HA 0.629 4.969 4.340 -0.000 0.000 0.260 194 L C 0.499 177.392 176.870 0.038 0.000 1.015 194 L CA -0.461 54.402 54.840 0.038 0.000 0.821 194 L CB 2.446 44.532 42.059 0.044 0.000 1.370 194 L HN 0.745 nan 8.230 nan 0.000 0.416 195 S N -0.776 114.946 115.700 0.036 0.000 2.576 195 S HA 0.027 4.497 4.470 -0.000 0.000 0.272 195 S C 0.919 175.544 174.600 0.042 0.000 1.352 195 S CA -0.033 58.188 58.200 0.035 0.000 1.021 195 S CB 0.937 64.156 63.200 0.032 0.000 0.887 195 S HN 0.719 nan 8.310 nan 0.000 0.542 196 E N 0.895 121.120 120.200 0.040 0.000 2.118 196 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 196 E C 2.252 178.884 176.600 0.053 0.000 0.992 196 E CA 2.129 58.558 56.400 0.048 0.000 0.804 196 E CB -0.419 29.307 29.700 0.043 0.000 0.741 196 E HN 0.892 nan 8.360 nan 0.000 0.458 197 Q N -0.182 119.646 119.800 0.046 0.000 2.224 197 Q HA -0.132 4.207 4.340 -0.000 0.000 0.203 197 Q C 1.303 177.337 176.000 0.057 0.000 0.970 197 Q CA 1.382 57.214 55.803 0.049 0.000 0.865 197 Q CB 0.018 28.779 28.738 0.038 0.000 0.922 197 Q HN 0.214 nan 8.270 nan 0.000 0.445 198 E N 0.349 120.582 120.200 0.055 0.000 2.447 198 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 198 E C 1.835 178.478 176.600 0.072 0.000 1.028 198 E CA 0.042 56.478 56.400 0.059 0.000 0.876 198 E CB 0.194 29.922 29.700 0.048 0.000 0.885 198 E HN 0.322 nan 8.360 nan 0.000 0.500 199 L N 1.012 122.279 121.223 0.073 0.000 1.955 199 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 199 L C 2.125 179.052 176.870 0.095 0.000 1.072 199 L CA 1.703 56.589 54.840 0.077 0.000 0.755 199 L CB -0.679 41.425 42.059 0.076 0.000 0.888 199 L HN 0.092 nan 8.230 nan 0.000 0.432 200 L N -0.822 120.475 121.223 0.124 0.000 2.056 200 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 200 L C -0.117 176.919 176.870 0.278 0.000 1.078 200 L CA 1.173 56.119 54.840 0.176 0.000 0.749 200 L CB -1.432 40.762 42.059 0.225 0.000 0.901 200 L HN 0.251 nan 8.230 nan 0.000 0.433 201 P HA -0.222 nan 4.420 nan 0.000 0.215 201 P C 1.318 178.734 177.300 0.194 0.000 1.157 201 P CA 1.292 64.525 63.100 0.221 0.000 0.874 201 P CB 0.002 31.777 31.700 0.125 0.000 0.790 202 R N 0.104 120.681 120.500 0.129 0.000 2.081 202 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 202 R C 2.082 178.433 176.300 0.084 0.000 1.131 202 R CA 1.881 58.038 56.100 0.095 0.000 0.960 202 R CB -1.505 28.834 30.300 0.065 0.000 0.856 202 R HN 0.040 nan 8.270 nan 0.000 0.436 203 A N -0.484 122.372 122.820 0.061 0.000 1.883 203 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 203 A C 2.170 179.725 177.584 -0.047 0.000 1.186 203 A CA 1.630 53.651 52.037 -0.027 0.000 0.624 203 A CB -1.228 17.711 19.000 -0.101 0.000 0.822 203 A HN 0.604 nan 8.150 nan 0.000 0.444 204 W N -0.220 121.099 121.300 0.031 0.000 2.363 204 W HA -0.115 4.545 4.660 -0.000 0.000 0.296 204 W C 2.366 178.895 176.519 0.017 0.000 1.212 204 W CA 1.344 58.703 57.345 0.024 0.000 1.260 204 W CB -0.074 29.399 29.460 0.022 0.000 1.131 204 W HN 0.561 nan 8.180 nan 0.000 0.530 205 E N 0.560 120.905 120.200 0.242 0.000 2.051 205 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 205 E C 2.008 178.666 176.600 0.096 0.000 0.991 205 E CA 1.587 58.073 56.400 0.145 0.000 0.799 205 E CB -0.459 29.303 29.700 0.103 0.000 0.748 205 E HN 0.269 nan 8.360 nan 0.000 0.449 206 L N 0.279 121.541 121.223 0.065 0.000 2.093 206 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 206 L C 2.687 179.570 176.870 0.023 0.000 1.085 206 L CA 0.875 55.734 54.840 0.032 0.000 0.755 206 L CB -0.427 41.639 42.059 0.011 0.000 0.904 206 L HN 0.219 nan 8.230 nan 0.000 0.435 207 A N 0.098 122.928 122.820 0.016 0.000 1.930 207 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 207 A C 2.380 179.996 177.584 0.052 0.000 1.175 207 A CA 1.487 53.521 52.037 -0.005 0.000 0.627 207 A CB -0.423 18.516 19.000 -0.102 0.000 0.815 207 A HN 0.257 nan 8.150 nan 0.000 0.443 208 R N -0.769 119.799 120.500 0.113 0.000 2.092 208 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 208 R C 2.314 178.650 176.300 0.059 0.000 1.119 208 R CA 1.277 57.443 56.100 0.110 0.000 0.970 208 R CB -0.589 29.793 30.300 0.137 0.000 0.864 208 R HN 0.523 nan 8.270 nan 0.000 0.440 209 G N 0.389 109.218 108.800 0.048 0.000 2.418 209 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 209 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 209 G C 1.383 176.293 174.900 0.016 0.000 1.158 209 G CA 0.725 45.842 45.100 0.029 0.000 0.771 209 G HN 0.218 nan 8.290 nan 0.000 0.545 210 I N 1.285 121.863 120.570 0.012 0.000 2.252 210 I HA -0.103 4.067 4.170 -0.000 0.000 0.245 210 I C 3.189 179.305 176.117 -0.001 0.000 1.102 210 I CA 0.912 62.212 61.300 0.000 0.000 1.385 210 I CB -0.087 37.908 38.000 -0.008 0.000 1.064 210 I HN 0.227 nan 8.210 nan 0.000 0.414 211 A N -0.107 122.719 122.820 0.010 0.000 2.067 211 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 211 A C 2.000 179.587 177.584 0.005 0.000 1.158 211 A CA 1.300 53.342 52.037 0.009 0.000 0.661 211 A CB -0.258 18.760 19.000 0.030 0.000 0.801 211 A HN 0.273 nan 8.150 nan 0.000 0.452 212 E N 0.354 120.559 120.200 0.008 0.000 2.489 212 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 212 E C 0.096 176.693 176.600 -0.006 0.000 1.057 212 E CA 0.241 56.643 56.400 0.003 0.000 0.866 212 E CB 0.060 29.765 29.700 0.009 0.000 0.916 212 E HN 0.367 nan 8.360 nan 0.000 0.500 213 K N 1.251 121.645 120.400 -0.011 0.000 2.168 213 K HA 0.251 4.571 4.320 -0.000 0.000 0.258 213 K C -2.254 174.328 176.600 -0.030 0.000 1.010 213 K CA -2.131 54.145 56.287 -0.019 0.000 0.929 213 K CB -0.570 31.918 32.500 -0.020 0.000 0.998 213 K HN -0.118 nan 8.250 nan 0.000 0.479 214 P HA -0.030 nan 4.420 nan 0.000 0.269 214 P C 1.005 178.259 177.300 -0.076 0.000 1.215 214 P CA -0.353 62.718 63.100 -0.049 0.000 0.780 214 P CB 0.425 32.096 31.700 -0.047 0.000 0.898 215 L N 3.373 124.546 121.223 -0.084 0.000 1.991 215 L HA -0.236 4.104 4.340 -0.000 0.000 0.221 215 L C 1.830 178.584 176.870 -0.194 0.000 1.079 215 L CA 2.088 56.862 54.840 -0.110 0.000 0.778 215 L CB -1.180 40.822 42.059 -0.095 0.000 0.893 215 L HN 0.374 nan 8.230 nan 0.000 0.437 216 L N -1.425 119.641 121.223 -0.262 0.000 2.179 216 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 216 L C 2.626 179.191 176.870 -0.510 0.000 1.096 216 L CA 0.783 55.294 54.840 -0.550 0.000 0.779 216 L CB -0.870 40.867 42.059 -0.537 0.000 0.922 216 L HN 0.417 nan 8.230 nan 0.000 0.443 217 A N 1.631 124.313 122.820 -0.230 0.000 1.873 217 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 217 A C 2.355 179.887 177.584 -0.086 0.000 1.193 217 A CA 2.138 54.109 52.037 -0.110 0.000 0.629 217 A CB -0.519 18.446 19.000 -0.058 0.000 0.826 217 A HN 0.501 nan 8.150 nan 0.000 0.447 218 R N -1.221 119.222 120.500 -0.094 0.000 2.090 218 R HA 0.007 4.347 4.340 -0.000 0.000 0.228 218 R C 2.461 178.730 176.300 -0.052 0.000 1.110 218 R CA 1.369 57.434 56.100 -0.057 0.000 0.973 218 R CB -0.719 29.554 30.300 -0.046 0.000 0.869 218 R HN 0.407 nan 8.270 nan 0.000 0.440 219 R N 1.605 122.036 120.500 -0.114 0.000 2.081 219 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 219 R C 2.014 178.382 176.300 0.114 0.000 1.131 219 R CA 1.924 57.991 56.100 -0.055 0.000 0.960 219 R CB -1.957 28.263 30.300 -0.133 0.000 0.856 219 R HN 0.574 nan 8.270 nan 0.000 0.436 220 Y N -0.085 120.206 120.300 -0.015 0.000 2.516 220 Y HA 0.145 4.695 4.550 -0.000 0.000 0.291 220 Y C 3.058 178.947 175.900 -0.020 0.000 1.131 220 Y CA -0.023 58.067 58.100 -0.017 0.000 1.281 220 Y CB -0.034 38.418 38.460 -0.013 0.000 1.013 220 Y HN 0.441 nan 8.280 nan 0.000 0.554 221 A N 1.180 124.071 122.820 0.118 0.000 1.883 221 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 221 A C 2.101 179.707 177.584 0.037 0.000 1.186 221 A CA 2.091 54.161 52.037 0.056 0.000 0.624 221 A CB -0.626 18.388 19.000 0.023 0.000 0.822 221 A HN 0.375 nan 8.150 nan 0.000 0.444 222 R N 0.310 120.829 120.500 0.032 0.000 2.091 222 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 222 R C 2.164 178.468 176.300 0.007 0.000 1.136 222 R CA 2.305 58.409 56.100 0.007 0.000 0.959 222 R CB -0.453 29.846 30.300 -0.002 0.000 0.856 222 R HN 0.541 nan 8.270 nan 0.000 0.437 223 K N 0.069 120.489 120.400 0.033 0.000 2.057 223 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 223 K C 1.777 178.369 176.600 -0.015 0.000 1.049 223 K CA 1.714 58.004 56.287 0.006 0.000 0.931 223 K CB -0.050 32.454 32.500 0.007 0.000 0.714 223 K HN 0.256 nan 8.250 nan 0.000 0.440 224 V N -1.046 118.868 119.914 -0.001 0.000 3.041 224 V HA -0.041 4.079 4.120 -0.000 0.000 0.260 224 V C 1.742 177.827 176.094 -0.014 0.000 1.105 224 V CA 1.054 63.346 62.300 -0.013 0.000 1.125 224 V CB -0.355 31.466 31.823 -0.002 0.000 0.730 224 V HN 0.194 nan 8.190 nan 0.000 0.479 225 L N 1.257 122.474 121.223 -0.011 0.000 2.477 225 L HA 0.108 4.448 4.340 -0.000 0.000 0.220 225 L C 2.243 179.100 176.870 -0.020 0.000 1.106 225 L CA 1.211 56.042 54.840 -0.015 0.000 0.851 225 L CB -0.191 41.859 42.059 -0.015 0.000 0.994 225 L HN 0.582 nan 8.230 nan 0.000 0.462 226 T N -4.903 109.633 114.554 -0.031 0.000 3.134 226 T HA 0.133 4.482 4.350 -0.000 0.000 0.260 226 T C 1.727 176.395 174.700 -0.055 0.000 1.027 226 T CA -0.501 61.571 62.100 -0.047 0.000 0.913 226 T CB 0.116 68.945 68.868 -0.064 0.000 1.046 226 T HN 0.008 nan 8.240 nan 0.000 0.553 227 R N 1.352 121.828 120.500 -0.041 0.000 2.096 227 R HA -0.113 4.227 4.340 -0.000 0.000 0.240 227 R C 2.352 178.622 176.300 -0.051 0.000 1.139 227 R CA 1.816 57.889 56.100 -0.044 0.000 0.952 227 R CB -0.612 29.668 30.300 -0.033 0.000 0.854 227 R HN 0.456 nan 8.270 nan 0.000 0.436 228 Q N 0.649 120.430 119.800 -0.032 0.000 2.083 228 Q HA -0.059 4.280 4.340 -0.000 0.000 0.198 228 Q C 1.956 177.876 176.000 -0.133 0.000 0.969 228 Q CA 0.986 56.773 55.803 -0.027 0.000 0.838 228 Q CB -0.409 28.371 28.738 0.071 0.000 0.900 228 Q HN 0.166 nan 8.270 nan 0.000 0.436 229 L N 0.540 121.635 121.223 -0.214 0.000 2.042 229 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 229 L C 2.061 178.780 176.870 -0.252 0.000 1.076 229 L CA 1.875 56.471 54.840 -0.407 0.000 0.749 229 L CB -0.458 41.397 42.059 -0.339 0.000 0.893 229 L HN 0.162 nan 8.230 nan 0.000 0.432 230 R N -1.052 119.353 120.500 -0.159 0.000 2.096 230 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 230 R C 2.423 178.661 176.300 -0.104 0.000 1.127 230 R CA 1.552 57.581 56.100 -0.119 0.000 0.968 230 R CB -0.422 29.826 30.300 -0.088 0.000 0.861 230 R HN 0.397 nan 8.270 nan 0.000 0.440 231 R N 0.612 121.054 120.500 -0.097 0.000 2.066 231 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 231 R C 2.154 178.405 176.300 -0.081 0.000 1.131 231 R CA 1.525 57.581 56.100 -0.073 0.000 0.955 231 R CB -0.383 29.883 30.300 -0.056 0.000 0.851 231 R HN 0.164 nan 8.270 nan 0.000 0.432 232 V N 0.680 120.522 119.914 -0.120 0.000 2.453 232 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 232 V C 2.218 178.234 176.094 -0.131 0.000 1.048 232 V CA 1.753 63.980 62.300 -0.123 0.000 1.049 232 V CB -0.096 31.634 31.823 -0.154 0.000 0.672 232 V HN 0.414 nan 8.190 nan 0.000 0.457 233 M N 0.605 120.112 119.600 -0.156 0.000 2.086 233 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 233 M C 1.976 178.237 176.300 -0.065 0.000 1.067 233 M CA 2.569 57.793 55.300 -0.126 0.000 1.116 233 M CB -0.647 31.875 32.600 -0.129 0.000 1.348 233 M HN 0.489 nan 8.290 nan 0.000 0.407 234 E N -0.192 119.973 120.200 -0.058 0.000 2.110 234 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 234 E C 1.757 178.350 176.600 -0.011 0.000 0.988 234 E CA 1.805 58.187 56.400 -0.030 0.000 0.804 234 E CB -0.399 29.282 29.700 -0.032 0.000 0.745 234 E HN 0.522 nan 8.360 nan 0.000 0.458 235 A N 0.165 122.974 122.820 -0.019 0.000 1.930 235 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 235 A C 1.488 179.087 177.584 0.026 0.000 1.175 235 A CA 1.820 53.856 52.037 -0.001 0.000 0.627 235 A CB -0.124 18.870 19.000 -0.010 0.000 0.815 235 A HN 0.274 nan 8.150 nan 0.000 0.443 236 D N -2.011 118.408 120.400 0.031 0.000 2.489 236 D HA 0.089 4.729 4.640 -0.000 0.000 0.231 236 D C 1.564 178.014 176.300 0.249 0.000 1.114 236 D CA -0.038 54.028 54.000 0.110 0.000 0.842 236 D CB 0.086 40.926 40.800 0.067 0.000 1.133 236 D HN 0.269 nan 8.370 nan 0.000 0.506 237 L N 1.136 122.443 121.223 0.140 0.000 1.994 237 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 237 L C 1.960 178.961 176.870 0.218 0.000 1.071 237 L CA 1.875 56.839 54.840 0.205 0.000 0.745 237 L CB -0.719 41.394 42.059 0.089 0.000 0.892 237 L HN -0.184 nan 8.230 nan 0.000 0.431 238 S N -0.335 115.449 115.700 0.140 0.000 2.382 238 S HA -0.170 4.299 4.470 -0.000 0.000 0.228 238 S C 1.929 176.606 174.600 0.127 0.000 1.027 238 S CA 1.480 59.754 58.200 0.124 0.000 0.991 238 S CB -0.619 62.637 63.200 0.092 0.000 0.823 238 S HN 0.548 nan 8.310 nan 0.000 0.469 239 L N 1.525 122.827 121.223 0.132 0.000 2.012 239 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 239 L C 2.349 179.306 176.870 0.145 0.000 1.073 239 L CA 1.785 56.717 54.840 0.154 0.000 0.748 239 L CB -0.973 41.146 42.059 0.100 0.000 0.891 239 L HN 0.401 nan 8.230 nan 0.000 0.431 240 G N -0.200 108.607 108.800 0.011 0.000 2.421 240 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 240 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 240 G C 1.544 176.396 174.900 -0.081 0.000 1.171 240 G CA 1.081 45.999 45.100 -0.302 0.000 0.775 240 G HN 0.398 nan 8.290 nan 0.000 0.543 241 L N 0.568 121.830 121.223 0.065 0.000 2.056 241 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 241 L C 3.414 180.315 176.870 0.052 0.000 1.078 241 L CA 0.971 55.884 54.840 0.121 0.000 0.749 241 L CB -0.337 41.847 42.059 0.209 0.000 0.901 241 L HN 0.301 nan 8.230 nan 0.000 0.433 242 A N -0.608 122.240 122.820 0.047 0.000 1.902 242 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 242 A C 1.968 179.449 177.584 -0.172 0.000 1.181 242 A CA 1.805 53.813 52.037 -0.049 0.000 0.623 242 A CB -0.790 18.182 19.000 -0.046 0.000 0.818 242 A HN 0.438 nan 8.150 nan 0.000 0.443 243 H N -0.930 118.063 119.070 -0.129 0.000 2.357 243 H HA -0.051 4.505 4.556 -0.000 0.000 0.301 243 H C 2.063 177.259 175.328 -0.220 0.000 1.082 243 H CA 1.551 57.506 56.048 -0.154 0.000 1.342 243 H CB -0.068 29.613 29.762 -0.135 0.000 1.389 243 H HN 0.698 nan 8.280 nan 0.000 0.511 244 E N 0.464 120.588 120.200 -0.127 0.000 2.085 244 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 244 E C 2.299 178.508 176.600 -0.652 0.000 0.994 244 E CA 0.976 57.224 56.400 -0.254 0.000 0.801 244 E CB -0.093 29.523 29.700 -0.141 0.000 0.743 244 E HN 0.491 nan 8.360 nan 0.000 0.453 245 A N 0.991 123.295 122.820 -0.860 0.000 1.877 245 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 245 A C 2.222 179.291 177.584 -0.859 0.000 1.186 245 A CA 1.241 52.407 52.037 -1.451 0.000 0.620 245 A CB -0.711 17.883 19.000 -0.677 0.000 0.822 245 A HN 0.312 nan 8.150 nan 0.000 0.443 246 L N -0.763 120.184 121.223 -0.459 0.000 2.017 246 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 246 L C 3.128 179.859 176.870 -0.231 0.000 1.073 246 L CA 1.187 55.854 54.840 -0.288 0.000 0.745 246 L CB -0.543 41.375 42.059 -0.234 0.000 0.894 246 L HN 0.449 nan 8.230 nan 0.000 0.432 247 A N -0.201 122.488 122.820 -0.219 0.000 1.902 247 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 247 A C 2.481 179.983 177.584 -0.137 0.000 1.181 247 A CA 1.840 53.795 52.037 -0.135 0.000 0.623 247 A CB -0.694 18.253 19.000 -0.089 0.000 0.818 247 A HN 0.426 nan 8.150 nan 0.000 0.443 248 A N -0.268 122.416 122.820 -0.227 0.000 1.897 248 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 248 A C 2.080 179.650 177.584 -0.024 0.000 1.181 248 A CA 1.315 53.291 52.037 -0.102 0.000 0.620 248 A CB -0.547 18.397 19.000 -0.094 0.000 0.821 248 A HN 0.470 nan 8.150 nan 0.000 0.443 249 I N -0.191 120.312 120.570 -0.111 0.000 2.286 249 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 249 I C 2.078 178.190 176.117 -0.008 0.000 1.115 249 I CA 1.656 62.953 61.300 -0.004 0.000 1.392 249 I CB -0.325 37.651 38.000 -0.039 0.000 1.065 249 I HN 0.282 nan 8.210 nan 0.000 0.418 250 D N 0.897 121.270 120.400 -0.045 0.000 2.218 250 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 250 D C 2.219 178.511 176.300 -0.014 0.000 0.976 250 D CA 1.021 55.003 54.000 -0.029 0.000 0.853 250 D CB -0.007 40.769 40.800 -0.041 0.000 0.939 250 D HN 0.262 nan 8.370 nan 0.000 0.481 251 L N -0.544 120.674 121.223 -0.008 0.000 2.131 251 L HA 0.061 4.401 4.340 -0.000 0.000 0.210 251 L C 1.694 178.567 176.870 0.004 0.000 1.092 251 L CA 0.751 55.588 54.840 -0.005 0.000 0.759 251 L CB -0.858 41.200 42.059 -0.001 0.000 0.903 251 L HN 0.040 nan 8.230 nan 0.000 0.435 252 G N 0.000 108.812 108.800 0.020 0.000 5.446 252 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 252 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 252 G CA 0.000 45.114 45.100 0.023 0.000 0.502 252 G HN 0.000 nan 8.290 nan 0.000 0.925