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 1ndy_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPAFDKPKVE LHVHLDGAIK PETILYYGKR RGIALPADTP EELQNIIGMD DATA SEQUENCE KPLTLPDFLA KFDYYMPAIA GCRDAIKRIA YEFVEMKAKD GVVYVEVRYS DATA SEQUENCE PHLLANSKVE PIPWNQAEGD LTPDEVVSLV NQGLQEGERD FGVKVRSILC DATA SEQUENCE CMRHQPSWSS EVVELCKKYR EQTVVAIDLA GDETIEGSSL FPGHVQAYAE DATA SEQUENCE AVKSGVHRTV HAGEVGSANV VKEAVDTLKT ERLGHGYHTL EDTTLYNRLR DATA SEQUENCE QENMHFEICP WSSYLTGAWK PDTEHAVIRF KNDQVNYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEDEKKEL LDLLYKAYR 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 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.688 174.700 -0.021 0.000 1.109 4 T CA 0.000 62.089 62.100 -0.018 0.000 1.349 4 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 5 P HA 0.354 nan 4.420 nan 0.000 0.257 5 P C 0.398 177.677 177.300 -0.034 0.000 1.189 5 P CA 0.523 63.589 63.100 -0.057 0.000 0.780 5 P CB 0.333 31.983 31.700 -0.083 0.000 0.772 6 A N 3.716 126.520 122.820 -0.027 0.000 2.070 6 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 6 A C 0.620 178.283 177.584 0.133 0.000 1.159 6 A CA 0.853 52.925 52.037 0.058 0.000 0.656 6 A CB -0.618 18.430 19.000 0.080 0.000 0.800 6 A HN 0.539 nan 8.150 nan 0.000 0.453 7 F N -0.432 119.365 119.950 -0.256 0.000 3.051 7 F HA 0.402 4.929 4.527 -0.000 0.000 0.363 7 F C -1.131 174.499 175.800 -0.283 0.000 1.257 7 F CA -1.494 56.335 58.000 -0.284 0.000 1.126 7 F CB 1.243 39.898 39.000 -0.575 0.000 1.476 7 F HN -0.043 nan 8.300 nan 0.000 0.576 8 D N 5.098 125.306 120.400 -0.321 0.000 3.179 8 D HA 0.228 4.868 4.640 -0.000 0.000 0.267 8 D C -0.575 175.466 176.300 -0.432 0.000 1.348 8 D CA 0.279 54.084 54.000 -0.325 0.000 0.897 8 D CB 0.120 40.816 40.800 -0.173 0.000 1.062 8 D HN 0.235 nan 8.370 nan 0.000 0.494 9 K N 0.560 120.505 120.400 -0.759 0.000 2.400 9 K HA 0.501 4.821 4.320 -0.000 0.000 0.246 9 K C -2.699 173.694 176.600 -0.344 0.000 0.995 9 K CA -2.058 53.833 56.287 -0.660 0.000 0.840 9 K CB 1.242 33.031 32.500 -1.184 0.000 1.293 9 K HN -0.050 nan 8.250 nan 0.000 0.445 10 P HA 0.131 nan 4.420 nan 0.000 0.269 10 P C -0.799 176.630 177.300 0.215 0.000 1.209 10 P CA 0.051 63.172 63.100 0.034 0.000 0.776 10 P CB 0.522 32.227 31.700 0.009 0.000 0.876 11 K N 0.532 121.021 120.400 0.148 0.000 2.395 11 K HA 0.645 4.965 4.320 -0.000 0.000 0.247 11 K C -0.877 175.831 176.600 0.180 0.000 0.973 11 K CA -1.135 55.285 56.287 0.222 0.000 0.828 11 K CB 2.134 34.713 32.500 0.131 0.000 1.272 11 K HN 0.256 nan 8.250 nan 0.000 0.439 12 V N -1.783 118.265 119.914 0.224 0.000 2.680 12 V HA 0.603 4.723 4.120 -0.000 0.000 0.309 12 V C -0.869 175.338 176.094 0.188 0.000 1.052 12 V CA -0.700 61.721 62.300 0.200 0.000 0.908 12 V CB 1.685 33.636 31.823 0.212 0.000 1.001 12 V HN 0.889 nan 8.190 nan 0.000 0.431 13 E N 2.485 122.769 120.200 0.140 0.000 2.256 13 E HA 0.604 4.954 4.350 -0.000 0.000 0.268 13 E C -0.663 175.997 176.600 0.100 0.000 0.877 13 E CA -0.720 55.768 56.400 0.147 0.000 0.757 13 E CB 2.360 32.157 29.700 0.161 0.000 1.183 13 E HN 0.841 nan 8.360 nan 0.000 0.418 14 L N 2.797 124.094 121.223 0.124 0.000 2.731 14 L HA 0.296 4.636 4.340 -0.000 0.000 0.240 14 L C 0.181 177.101 176.870 0.083 0.000 1.120 14 L CA -0.063 54.812 54.840 0.059 0.000 0.913 14 L CB 0.465 42.513 42.059 -0.019 0.000 1.213 14 L HN 0.553 nan 8.230 nan 0.000 0.515 15 H N 0.357 119.462 119.070 0.060 0.000 2.917 15 H HA 0.555 5.111 4.556 -0.000 0.000 0.279 15 H C -1.595 173.813 175.328 0.135 0.000 1.211 15 H CA -0.250 55.820 56.048 0.036 0.000 1.534 15 H CB 1.513 31.274 29.762 -0.002 0.000 1.581 15 H HN -0.188 nan 8.280 nan 0.000 0.510 16 V N 5.672 125.678 119.914 0.153 0.000 2.789 16 V HA 0.260 4.380 4.120 -0.000 0.000 0.300 16 V C -1.411 174.740 176.094 0.095 0.000 1.184 16 V CA -0.529 61.951 62.300 0.301 0.000 0.930 16 V CB 1.680 33.722 31.823 0.365 0.000 1.041 16 V HN 0.805 nan 8.190 nan 0.000 0.430 17 H N 5.955 125.162 119.070 0.230 0.000 2.502 17 H HA 0.270 4.826 4.556 -0.000 0.000 0.327 17 H C 0.685 176.058 175.328 0.076 0.000 1.099 17 H CA -0.075 56.073 56.048 0.167 0.000 1.323 17 H CB 2.370 32.310 29.762 0.297 0.000 1.450 17 H HN 0.701 nan 8.280 nan 0.000 0.502 18 L N 3.266 124.521 121.223 0.052 0.000 2.012 18 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 18 L C 1.922 178.850 176.870 0.098 0.000 1.073 18 L CA 2.009 56.788 54.840 -0.101 0.000 0.748 18 L CB -0.599 41.328 42.059 -0.220 0.000 0.891 18 L HN 0.731 nan 8.230 nan 0.000 0.431 19 D N -1.310 119.223 120.400 0.222 0.000 2.350 19 D HA -0.062 4.578 4.640 -0.000 0.000 0.216 19 D C 1.655 178.197 176.300 0.404 0.000 0.968 19 D CA 1.050 55.240 54.000 0.317 0.000 0.894 19 D CB -0.736 40.262 40.800 0.330 0.000 0.909 19 D HN 0.425 nan 8.370 nan 0.000 0.520 20 G N -0.809 108.195 108.800 0.341 0.000 3.605 20 G HA2 0.458 4.418 3.960 -0.000 0.000 0.277 20 G HA3 0.458 4.418 3.960 -0.000 0.000 0.277 20 G C 0.344 175.313 174.900 0.116 0.000 1.093 20 G CA -0.018 45.200 45.100 0.197 0.000 0.821 20 G HN 0.433 nan 8.290 nan 0.000 0.532 21 A N 0.710 123.617 122.820 0.145 0.000 3.292 21 A HA 0.637 4.957 4.320 -0.000 0.000 0.231 21 A C -0.421 177.257 177.584 0.157 0.000 0.952 21 A CA -0.312 51.841 52.037 0.193 0.000 1.044 21 A CB -0.019 19.220 19.000 0.399 0.000 1.236 21 A HN 0.209 nan 8.150 nan 0.000 0.525 22 I N 0.696 121.283 120.570 0.028 0.000 2.474 22 I HA 0.288 4.458 4.170 -0.000 0.000 0.294 22 I C -0.141 175.950 176.117 -0.043 0.000 1.005 22 I CA -0.809 60.496 61.300 0.009 0.000 1.113 22 I CB 2.254 40.241 38.000 -0.021 0.000 1.289 22 I HN 0.227 nan 8.210 nan 0.000 0.436 23 K N 6.319 126.716 120.400 -0.005 0.000 2.401 23 K HA 0.138 4.458 4.320 -0.000 0.000 0.278 23 K C -1.831 174.748 176.600 -0.035 0.000 1.018 23 K CA -1.168 55.105 56.287 -0.024 0.000 0.981 23 K CB 0.427 32.923 32.500 -0.008 0.000 0.933 23 K HN 0.253 nan 8.250 nan 0.000 0.477 24 P HA -0.288 nan 4.420 nan 0.000 0.215 24 P C 0.947 178.245 177.300 -0.004 0.000 1.157 24 P CA 1.378 64.447 63.100 -0.052 0.000 0.874 24 P CB 0.129 31.797 31.700 -0.053 0.000 0.790 25 E N -0.805 119.398 120.200 0.005 0.000 2.130 25 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 25 E C 1.935 178.575 176.600 0.068 0.000 0.998 25 E CA 2.000 58.418 56.400 0.029 0.000 0.806 25 E CB -1.828 27.880 29.700 0.013 0.000 0.738 25 E HN 0.260 nan 8.360 nan 0.000 0.459 26 T N 0.468 115.064 114.554 0.070 0.000 2.904 26 T HA -0.016 4.333 4.350 -0.000 0.000 0.267 26 T C 2.088 176.943 174.700 0.259 0.000 1.059 26 T CA 0.717 62.906 62.100 0.150 0.000 1.137 26 T CB -0.296 68.662 68.868 0.150 0.000 0.879 26 T HN 0.176 nan 8.240 nan 0.000 0.467 27 I N 0.848 121.516 120.570 0.163 0.000 2.163 27 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 27 I C 2.409 178.619 176.117 0.155 0.000 1.085 27 I CA 0.885 62.282 61.300 0.163 0.000 1.347 27 I CB -0.355 37.679 38.000 0.056 0.000 1.044 27 I HN 0.279 nan 8.210 nan 0.000 0.408 28 L N -0.051 121.233 121.223 0.101 0.000 2.027 28 L HA -0.243 4.097 4.340 -0.000 0.000 0.206 28 L C 2.468 179.354 176.870 0.026 0.000 1.074 28 L CA 1.894 56.769 54.840 0.059 0.000 0.745 28 L CB -1.392 40.691 42.059 0.040 0.000 0.898 28 L HN 0.268 nan 8.230 nan 0.000 0.433 29 Y N -0.206 120.047 120.300 -0.079 0.000 2.062 29 Y HA -0.382 4.168 4.550 -0.001 0.000 0.276 29 Y C 2.449 178.174 175.900 -0.291 0.000 1.189 29 Y CA 2.441 60.412 58.100 -0.215 0.000 1.130 29 Y CB -0.711 37.567 38.460 -0.304 0.000 0.959 29 Y HN 0.261 nan 8.280 nan 0.000 0.499 30 Y N -0.418 119.931 120.300 0.082 0.000 2.395 30 Y HA 0.083 4.633 4.550 -0.001 0.000 0.293 30 Y C 2.576 178.451 175.900 -0.042 0.000 1.123 30 Y CA 0.706 58.805 58.100 -0.001 0.000 1.227 30 Y CB -0.956 37.578 38.460 0.122 0.000 1.012 30 Y HN 0.200 nan 8.280 nan 0.000 0.552 31 G N 0.607 109.475 108.800 0.113 0.000 2.511 31 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.216 31 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.216 31 G C 1.693 176.581 174.900 -0.020 0.000 1.218 31 G CA 1.498 46.631 45.100 0.055 0.000 0.788 31 G HN 0.296 nan 8.290 nan 0.000 0.560 32 K N 0.717 121.064 120.400 -0.088 0.000 2.032 32 K HA -0.073 4.247 4.320 -0.000 0.000 0.209 32 K C 2.424 178.927 176.600 -0.161 0.000 1.048 32 K CA 1.671 57.881 56.287 -0.128 0.000 0.927 32 K CB -0.500 31.908 32.500 -0.153 0.000 0.712 32 K HN 0.246 nan 8.250 nan 0.000 0.441 33 R N -0.110 120.230 120.500 -0.268 0.000 2.120 33 R HA 0.045 4.385 4.340 -0.000 0.000 0.234 33 R C 1.691 177.949 176.300 -0.070 0.000 1.123 33 R CA 1.579 57.546 56.100 -0.221 0.000 0.975 33 R CB 0.071 30.174 30.300 -0.328 0.000 0.866 33 R HN 0.202 nan 8.270 nan 0.000 0.446 34 R N -1.825 118.668 120.500 -0.012 0.000 2.404 34 R HA 0.212 4.552 4.340 -0.000 0.000 0.237 34 R C 0.223 176.535 176.300 0.019 0.000 0.907 34 R CA 0.593 56.711 56.100 0.029 0.000 1.063 34 R CB 1.314 31.661 30.300 0.077 0.000 1.134 34 R HN 0.335 nan 8.270 nan 0.000 0.529 35 G N 2.636 111.437 108.800 0.002 0.000 2.303 35 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 35 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 35 G C 0.429 175.338 174.900 0.014 0.000 1.106 35 G CA 0.428 45.529 45.100 0.001 0.000 0.900 35 G HN 0.448 nan 8.290 nan 0.000 0.495 36 I N -2.542 118.041 120.570 0.022 0.000 3.790 36 I HA 0.764 4.934 4.170 -0.000 0.000 0.305 36 I C 1.281 177.410 176.117 0.020 0.000 1.253 36 I CA 0.906 62.226 61.300 0.032 0.000 1.355 36 I CB 0.563 38.595 38.000 0.054 0.000 1.137 36 I HN 2.070 nan 8.210 nan 0.000 0.435 37 A N 0.959 123.785 122.820 0.011 0.000 2.433 37 A HA 0.007 4.327 4.320 -0.000 0.000 0.685 37 A C -0.749 176.822 177.584 -0.022 0.000 0.139 37 A CA 0.760 52.793 52.037 -0.006 0.000 0.035 37 A CB -1.772 17.217 19.000 -0.017 0.000 3.969 37 A HN 0.562 nan 8.150 nan 0.000 0.547 38 L N 3.619 124.817 121.223 -0.041 0.000 2.415 38 L HA 0.640 4.979 4.340 -0.000 0.000 0.256 38 L C -0.999 175.799 176.870 -0.119 0.000 1.010 38 L CA -1.483 53.315 54.840 -0.069 0.000 0.826 38 L CB 1.990 44.054 42.059 0.008 0.000 1.405 38 L HN 0.589 nan 8.230 nan 0.000 0.410 39 P HA -0.135 nan 4.420 nan 0.000 0.217 39 P C 0.155 177.405 177.300 -0.083 0.000 1.148 39 P CA 1.206 64.194 63.100 -0.187 0.000 0.828 39 P CB 0.468 31.998 31.700 -0.284 0.000 0.783 40 A N -0.916 121.875 122.820 -0.047 0.000 2.548 40 A HA 0.474 4.794 4.320 -0.000 0.000 0.262 40 A C 0.235 177.809 177.584 -0.017 0.000 1.271 40 A CA -0.372 51.650 52.037 -0.025 0.000 0.839 40 A CB 0.540 19.534 19.000 -0.010 0.000 1.381 40 A HN -0.106 nan 8.150 nan 0.000 0.468 41 D N -0.833 119.560 120.400 -0.011 0.000 2.540 41 D HA 0.162 4.802 4.640 -0.000 0.000 0.229 41 D C -0.182 176.116 176.300 -0.003 0.000 1.250 41 D CA 0.352 54.347 54.000 -0.008 0.000 0.817 41 D CB 0.689 41.483 40.800 -0.011 0.000 1.060 41 D HN 0.494 nan 8.370 nan 0.000 0.508 42 T N -0.295 114.258 114.554 -0.001 0.000 2.944 42 T HA 0.347 4.697 4.350 -0.000 0.000 0.284 42 T C -1.811 172.890 174.700 0.002 0.000 1.010 42 T CA -1.921 60.179 62.100 0.001 0.000 1.025 42 T CB 2.097 70.966 68.868 0.001 0.000 1.079 42 T HN -0.260 nan 8.240 nan 0.000 0.516 43 P HA -0.078 nan 4.420 nan 0.000 0.213 43 P C 1.575 178.873 177.300 -0.004 0.000 1.170 43 P CA 0.985 64.083 63.100 -0.003 0.000 0.893 43 P CB -0.009 31.689 31.700 -0.004 0.000 0.784 44 E N 0.343 120.542 120.200 -0.001 0.000 2.130 44 E HA -0.257 4.092 4.350 -0.000 0.000 0.196 44 E C 1.786 178.390 176.600 0.007 0.000 0.998 44 E CA 1.388 57.789 56.400 0.003 0.000 0.806 44 E CB -1.112 28.591 29.700 0.004 0.000 0.738 44 E HN 0.225 nan 8.360 nan 0.000 0.459 45 E N 1.130 121.334 120.200 0.007 0.000 2.072 45 E HA -0.039 4.310 4.350 -0.000 0.000 0.190 45 E C 2.333 178.943 176.600 0.016 0.000 0.982 45 E CA 0.439 56.846 56.400 0.011 0.000 0.803 45 E CB -0.320 29.384 29.700 0.008 0.000 0.755 45 E HN 0.385 nan 8.360 nan 0.000 0.453 46 L N 1.044 122.274 121.223 0.011 0.000 2.012 46 L HA -0.293 4.046 4.340 -0.000 0.000 0.210 46 L C 2.688 179.560 176.870 0.003 0.000 1.073 46 L CA 2.036 56.886 54.840 0.017 0.000 0.748 46 L CB -0.290 41.774 42.059 0.009 0.000 0.891 46 L HN 0.121 nan 8.230 nan 0.000 0.431 47 Q N 0.490 120.281 119.800 -0.015 0.000 2.133 47 Q HA -0.293 4.047 4.340 -0.000 0.000 0.208 47 Q C 1.834 177.834 176.000 0.000 0.000 0.991 47 Q CA 2.646 58.435 55.803 -0.024 0.000 0.867 47 Q CB -0.401 28.328 28.738 -0.015 0.000 0.911 47 Q HN 0.628 nan 8.270 nan 0.000 0.417 48 N N -0.761 117.950 118.700 0.019 0.000 2.188 48 N HA -0.090 4.649 4.740 -0.000 0.000 0.184 48 N C 1.786 177.323 175.510 0.045 0.000 1.018 48 N CA 1.367 54.438 53.050 0.035 0.000 0.858 48 N CB -0.098 38.411 38.487 0.036 0.000 0.989 48 N HN 0.347 nan 8.380 nan 0.000 0.426 49 I N 1.246 121.848 120.570 0.054 0.000 2.202 49 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 49 I C 2.155 178.320 176.117 0.080 0.000 1.091 49 I CA 1.072 62.427 61.300 0.092 0.000 1.368 49 I CB -0.245 37.834 38.000 0.131 0.000 1.058 49 I HN 0.053 nan 8.210 nan 0.000 0.410 50 I N 0.713 121.302 120.570 0.032 0.000 2.315 50 I HA -0.108 4.061 4.170 -0.000 0.000 0.248 50 I C 1.671 177.720 176.117 -0.114 0.000 1.117 50 I CA 0.591 61.832 61.300 -0.098 0.000 1.404 50 I CB -0.662 37.218 38.000 -0.200 0.000 1.071 50 I HN 0.193 nan 8.210 nan 0.000 0.419 51 G N 0.530 109.305 108.800 -0.043 0.000 2.572 51 G HA2 0.509 4.468 3.960 -0.000 0.000 0.261 51 G HA3 0.509 4.468 3.960 -0.000 0.000 0.261 51 G C -0.463 174.470 174.900 0.055 0.000 1.197 51 G CA -0.458 44.642 45.100 -0.000 0.000 0.870 51 G HN -0.015 nan 8.290 nan 0.000 0.548 52 M N 0.004 119.680 119.600 0.126 0.000 2.528 52 M HA 0.321 4.801 4.480 -0.000 0.000 0.321 52 M C -0.643 175.762 176.300 0.176 0.000 1.153 52 M CA -0.581 54.808 55.300 0.149 0.000 0.951 52 M CB 2.522 35.248 32.600 0.211 0.000 1.705 52 M HN 0.677 nan 8.290 nan 0.000 0.451 53 D N -0.532 119.944 120.400 0.126 0.000 2.540 53 D HA 0.239 4.879 4.640 -0.000 0.000 0.229 53 D C -0.413 175.926 176.300 0.064 0.000 1.250 53 D CA -0.354 53.728 54.000 0.137 0.000 0.817 53 D CB 0.618 41.541 40.800 0.205 0.000 1.060 53 D HN 0.375 nan 8.370 nan 0.000 0.508 54 K N 0.607 121.009 120.400 0.002 0.000 2.525 54 K HA 0.427 4.746 4.320 -0.000 0.000 0.254 54 K C -2.960 173.590 176.600 -0.084 0.000 0.934 54 K CA -2.097 54.156 56.287 -0.058 0.000 0.802 54 K CB 1.920 34.419 32.500 -0.003 0.000 1.295 54 K HN -0.256 nan 8.250 nan 0.000 0.433 55 P HA 0.120 nan 4.420 nan 0.000 0.268 55 P C -1.069 176.207 177.300 -0.041 0.000 1.208 55 P CA -0.076 62.951 63.100 -0.121 0.000 0.777 55 P CB 0.480 32.076 31.700 -0.173 0.000 0.875 56 L N -0.162 121.058 121.223 -0.006 0.000 2.393 56 L HA 0.419 4.759 4.340 -0.000 0.000 0.260 56 L C 0.683 177.570 176.870 0.029 0.000 1.002 56 L CA -0.890 53.974 54.840 0.041 0.000 0.818 56 L CB 2.140 44.273 42.059 0.123 0.000 1.369 56 L HN 0.261 nan 8.230 nan 0.000 0.412 57 T N 0.246 114.823 114.554 0.037 0.000 2.856 57 T HA 0.006 4.356 4.350 -0.000 0.000 0.329 57 T C 1.057 175.803 174.700 0.077 0.000 1.094 57 T CA 0.034 62.156 62.100 0.036 0.000 1.112 57 T CB 0.376 69.267 68.868 0.038 0.000 1.009 57 T HN 0.488 nan 8.240 nan 0.000 0.550 58 L N 5.240 126.493 121.223 0.051 0.000 1.997 58 L HA 0.016 4.355 4.340 -0.000 0.000 0.216 58 L C -0.849 176.120 176.870 0.166 0.000 1.074 58 L CA 2.263 57.162 54.840 0.099 0.000 0.763 58 L CB -1.350 40.738 42.059 0.048 0.000 0.890 58 L HN 0.596 nan 8.230 nan 0.000 0.434 59 P HA -0.100 nan 4.420 nan 0.000 0.218 59 P C 0.907 178.288 177.300 0.135 0.000 1.149 59 P CA 1.549 64.718 63.100 0.115 0.000 0.817 59 P CB -0.023 31.721 31.700 0.074 0.000 0.785 60 D N -2.354 118.127 120.400 0.134 0.000 2.234 60 D HA -0.078 4.562 4.640 -0.000 0.000 0.205 60 D C 1.441 177.829 176.300 0.146 0.000 0.962 60 D CA 0.519 54.592 54.000 0.121 0.000 0.855 60 D CB -0.447 40.413 40.800 0.099 0.000 0.951 60 D HN 0.031 nan 8.370 nan 0.000 0.500 61 F N 0.804 120.779 119.950 0.043 0.000 2.098 61 F HA -0.012 4.515 4.527 -0.001 0.000 0.294 61 F C 1.665 177.519 175.800 0.089 0.000 1.107 61 F CA 1.122 59.151 58.000 0.048 0.000 1.234 61 F CB -0.147 38.911 39.000 0.097 0.000 1.002 61 F HN -0.110 nan 8.300 nan 0.000 0.472 62 L N 0.072 121.481 121.223 0.310 0.000 2.191 62 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 62 L C 2.744 179.715 176.870 0.169 0.000 1.103 62 L CA 0.885 55.909 54.840 0.307 0.000 0.769 62 L CB -1.390 40.837 42.059 0.279 0.000 0.908 62 L HN 0.248 nan 8.230 nan 0.000 0.438 63 A N 0.893 123.762 122.820 0.082 0.000 1.958 63 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 63 A C 2.338 179.779 177.584 -0.238 0.000 1.178 63 A CA 2.056 54.119 52.037 0.042 0.000 0.642 63 A CB -0.391 18.678 19.000 0.116 0.000 0.816 63 A HN 0.422 nan 8.150 nan 0.000 0.453 64 K N -1.227 118.863 120.400 -0.517 0.000 2.097 64 K HA -0.094 4.225 4.320 -0.000 0.000 0.206 64 K C 1.598 177.618 176.600 -0.968 0.000 1.049 64 K CA 1.611 57.280 56.287 -1.030 0.000 0.933 64 K CB -0.416 31.577 32.500 -0.845 0.000 0.717 64 K HN 0.536 nan 8.250 nan 0.000 0.442 65 F N 2.260 121.738 119.950 -0.786 0.000 2.134 65 F HA -0.202 4.324 4.527 -0.001 0.000 0.299 65 F C 1.974 177.153 175.800 -1.034 0.000 1.097 65 F CA 1.180 58.465 58.000 -1.192 0.000 1.264 65 F CB -0.418 38.073 39.000 -0.849 0.000 1.001 65 F HN 0.061 nan 8.300 nan 0.000 0.479 66 D N -0.399 119.912 120.400 -0.149 0.000 2.280 66 D HA -0.228 4.411 4.640 -0.000 0.000 0.206 66 D C 1.858 178.236 176.300 0.131 0.000 0.988 66 D CA 1.660 55.708 54.000 0.080 0.000 0.886 66 D CB -0.369 40.589 40.800 0.263 0.000 0.914 66 D HN 0.489 nan 8.370 nan 0.000 0.473 67 Y N -0.577 119.642 120.300 -0.134 0.000 2.314 67 Y HA -0.136 4.414 4.550 -0.001 0.000 0.294 67 Y C 2.431 178.311 175.900 -0.033 0.000 1.119 67 Y CA 0.279 58.353 58.100 -0.044 0.000 1.179 67 Y CB -0.526 37.951 38.460 0.028 0.000 1.025 67 Y HN 0.071 nan 8.280 nan 0.000 0.541 68 Y N -1.827 118.477 120.300 0.007 0.000 2.441 68 Y HA 0.166 4.716 4.550 -0.001 0.000 0.288 68 Y C 2.059 177.878 175.900 -0.135 0.000 1.118 68 Y CA -0.296 57.776 58.100 -0.046 0.000 1.215 68 Y CB -0.830 37.579 38.460 -0.084 0.000 1.118 68 Y HN -0.131 nan 8.280 nan 0.000 0.547 69 M N 1.172 120.448 119.600 -0.540 0.000 2.143 69 M HA -0.109 4.371 4.480 -0.000 0.000 0.258 69 M C -0.694 175.421 176.300 -0.307 0.000 1.071 69 M CA 1.676 56.622 55.300 -0.591 0.000 1.088 69 M CB -2.232 29.473 32.600 -1.492 0.000 1.360 69 M HN 0.239 nan 8.290 nan 0.000 0.404 70 P HA -0.059 nan 4.420 nan 0.000 0.222 70 P C 1.212 178.537 177.300 0.043 0.000 1.147 70 P CA 1.627 64.736 63.100 0.015 0.000 0.790 70 P CB -0.149 31.593 31.700 0.071 0.000 0.780 71 A N -0.952 121.903 122.820 0.059 0.000 2.015 71 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 71 A C 1.908 179.533 177.584 0.067 0.000 1.163 71 A CA 1.418 53.520 52.037 0.109 0.000 0.646 71 A CB -0.976 18.123 19.000 0.164 0.000 0.806 71 A HN 0.078 nan 8.150 nan 0.000 0.448 72 I N -1.121 119.459 120.570 0.016 0.000 3.194 72 I HA 0.174 4.344 4.170 -0.000 0.000 0.271 72 I C 1.543 177.622 176.117 -0.063 0.000 1.150 72 I CA 0.568 61.826 61.300 -0.071 0.000 1.440 72 I CB -1.748 36.239 38.000 -0.022 0.000 1.276 72 I HN 0.219 nan 8.210 nan 0.000 0.457 73 A N 1.074 123.895 122.820 0.002 0.000 2.561 73 A HA 0.327 4.646 4.320 -0.000 0.000 0.234 73 A C 1.548 179.162 177.584 0.051 0.000 1.055 73 A CA 1.054 53.133 52.037 0.070 0.000 0.756 73 A CB -0.568 18.559 19.000 0.213 0.000 0.986 73 A HN 0.895 nan 8.150 nan 0.000 0.505 74 G N -0.060 108.763 108.800 0.038 0.000 2.189 74 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.267 74 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.267 74 G C 0.516 175.411 174.900 -0.007 0.000 0.975 74 G CA 0.771 45.883 45.100 0.020 0.000 0.644 74 G HN 2.159 nan 8.290 nan 0.000 0.537 75 C N 1.160 120.433 119.300 -0.045 0.000 2.321 75 C HA 0.714 5.174 4.460 -0.000 0.000 0.323 75 C C 2.030 176.963 174.990 -0.094 0.000 1.191 75 C CA -0.311 58.667 59.018 -0.067 0.000 1.455 75 C CB -0.061 27.616 27.740 -0.106 0.000 2.083 75 C HN 0.522 nan 8.230 nan 0.000 0.442 76 R N 1.930 122.398 120.500 -0.052 0.000 2.159 76 R HA -0.223 4.117 4.340 -0.000 0.000 0.249 76 R C 1.691 177.954 176.300 -0.063 0.000 1.136 76 R CA 2.726 58.796 56.100 -0.050 0.000 0.951 76 R CB -0.200 30.086 30.300 -0.024 0.000 0.876 76 R HN 0.942 nan 8.270 nan 0.000 0.440 77 D N 0.015 120.390 120.400 -0.043 0.000 2.224 77 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 77 D C 1.713 177.961 176.300 -0.087 0.000 0.965 77 D CA 1.293 55.283 54.000 -0.017 0.000 0.852 77 D CB -0.009 40.830 40.800 0.065 0.000 0.947 77 D HN 0.241 nan 8.370 nan 0.000 0.494 78 A N 0.682 123.303 122.820 -0.332 0.000 1.902 78 A HA -0.069 4.250 4.320 -0.000 0.000 0.217 78 A C 2.259 179.696 177.584 -0.245 0.000 1.181 78 A CA 1.193 52.878 52.037 -0.587 0.000 0.623 78 A CB -0.616 17.774 19.000 -1.018 0.000 0.818 78 A HN 0.303 nan 8.150 nan 0.000 0.443 79 I N 0.177 120.639 120.570 -0.180 0.000 2.127 79 I HA -0.242 3.928 4.170 -0.000 0.000 0.241 79 I C 2.390 178.449 176.117 -0.096 0.000 1.075 79 I CA 2.076 63.298 61.300 -0.129 0.000 1.334 79 I CB -1.257 36.672 38.000 -0.118 0.000 1.040 79 I HN 0.442 nan 8.210 nan 0.000 0.405 80 K N 0.869 121.227 120.400 -0.069 0.000 2.057 80 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 80 K C 2.362 178.983 176.600 0.036 0.000 1.049 80 K CA 1.507 57.779 56.287 -0.025 0.000 0.931 80 K CB -0.034 32.450 32.500 -0.028 0.000 0.714 80 K HN 0.086 nan 8.250 nan 0.000 0.440 81 R N 1.341 121.864 120.500 0.039 0.000 2.081 81 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 81 R C 2.383 178.778 176.300 0.159 0.000 1.131 81 R CA 1.862 58.034 56.100 0.120 0.000 0.960 81 R CB -0.560 29.829 30.300 0.150 0.000 0.856 81 R HN 0.453 nan 8.270 nan 0.000 0.436 82 I N -1.273 119.349 120.570 0.087 0.000 2.264 82 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 82 I C 2.322 178.515 176.117 0.127 0.000 1.111 82 I CA 1.739 63.095 61.300 0.093 0.000 1.382 82 I CB -0.681 37.346 38.000 0.044 0.000 1.060 82 I HN 0.158 nan 8.210 nan 0.000 0.418 83 A N 0.608 123.475 122.820 0.079 0.000 1.877 83 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 83 A C 2.367 180.095 177.584 0.240 0.000 1.186 83 A CA 1.829 53.926 52.037 0.101 0.000 0.620 83 A CB -1.322 17.682 19.000 0.006 0.000 0.822 83 A HN 0.631 nan 8.150 nan 0.000 0.443 84 Y N 0.880 121.247 120.300 0.113 0.000 2.081 84 Y HA -0.249 4.301 4.550 -0.000 0.000 0.280 84 Y C 2.324 178.330 175.900 0.176 0.000 1.163 84 Y CA 2.429 60.627 58.100 0.163 0.000 1.135 84 Y CB -0.334 38.209 38.460 0.138 0.000 0.970 84 Y HN 0.489 nan 8.280 nan 0.000 0.498 85 E N -1.035 119.266 120.200 0.169 0.000 2.204 85 E HA -0.191 4.158 4.350 -0.000 0.000 0.194 85 E C 1.991 178.528 176.600 -0.104 0.000 0.989 85 E CA 0.879 57.268 56.400 -0.019 0.000 0.824 85 E CB -0.448 29.293 29.700 0.069 0.000 0.756 85 E HN 0.567 nan 8.360 nan 0.000 0.477 86 F N 1.215 121.121 119.950 -0.073 0.000 2.095 86 F HA -0.271 4.255 4.527 -0.001 0.000 0.298 86 F C 2.039 177.763 175.800 -0.125 0.000 1.104 86 F CA 1.205 59.160 58.000 -0.074 0.000 1.232 86 F CB -0.055 38.929 39.000 -0.027 0.000 0.987 86 F HN -0.193 nan 8.300 nan 0.000 0.475 87 V N 0.513 120.271 119.914 -0.260 0.000 2.343 87 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 87 V C 2.345 178.123 176.094 -0.526 0.000 1.051 87 V CA 2.253 64.367 62.300 -0.311 0.000 1.036 87 V CB -0.861 30.976 31.823 0.023 0.000 0.654 87 V HN 0.439 nan 8.190 nan 0.000 0.451 88 E N -0.201 119.518 120.200 -0.802 0.000 2.070 88 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 88 E C 2.254 178.420 176.600 -0.723 0.000 1.004 88 E CA 1.986 57.632 56.400 -1.257 0.000 0.805 88 E CB -0.178 28.676 29.700 -1.410 0.000 0.744 88 E HN 0.550 nan 8.360 nan 0.000 0.451 89 M N 0.220 119.489 119.600 -0.551 0.000 2.108 89 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 89 M C 2.174 178.242 176.300 -0.387 0.000 1.066 89 M CA 1.369 56.421 55.300 -0.412 0.000 1.107 89 M CB -0.048 32.338 32.600 -0.357 0.000 1.356 89 M HN -0.080 nan 8.290 nan 0.000 0.406 90 K N 0.149 120.238 120.400 -0.518 0.000 2.148 90 K HA -0.022 4.297 4.320 -0.000 0.000 0.204 90 K C 2.045 178.490 176.600 -0.258 0.000 1.050 90 K CA 1.444 57.500 56.287 -0.384 0.000 0.942 90 K CB -0.643 31.587 32.500 -0.449 0.000 0.724 90 K HN 0.353 nan 8.250 nan 0.000 0.446 91 A N 2.296 124.940 122.820 -0.293 0.000 1.902 91 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 91 A C 1.976 179.453 177.584 -0.179 0.000 1.181 91 A CA 1.501 53.417 52.037 -0.201 0.000 0.623 91 A CB -0.241 18.640 19.000 -0.198 0.000 0.818 91 A HN 0.198 nan 8.150 nan 0.000 0.443 92 K N 0.037 120.306 120.400 -0.219 0.000 2.283 92 K HA -0.096 4.223 4.320 -0.000 0.000 0.202 92 K C 0.516 177.031 176.600 -0.143 0.000 1.048 92 K CA 1.106 57.292 56.287 -0.168 0.000 0.948 92 K CB -0.320 32.076 32.500 -0.174 0.000 0.742 92 K HN 0.426 nan 8.250 nan 0.000 0.458 93 D N 0.446 120.756 120.400 -0.149 0.000 2.363 93 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 93 D C 1.031 177.255 176.300 -0.126 0.000 1.020 93 D CA 0.690 54.613 54.000 -0.128 0.000 0.892 93 D CB 0.110 40.846 40.800 -0.106 0.000 0.900 93 D HN 0.399 nan 8.370 nan 0.000 0.531 94 G N 0.645 109.375 108.800 -0.116 0.000 2.160 94 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.251 94 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.251 94 G C 0.444 175.305 174.900 -0.065 0.000 1.008 94 G CA 0.216 45.256 45.100 -0.099 0.000 0.724 94 G HN 0.305 nan 8.290 nan 0.000 0.514 95 V N 0.766 120.647 119.914 -0.056 0.000 2.572 95 V HA 0.311 4.431 4.120 -0.000 0.000 0.291 95 V C 1.784 177.878 176.094 -0.000 0.000 1.039 95 V CA 0.436 62.728 62.300 -0.014 0.000 1.055 95 V CB 1.512 33.314 31.823 -0.035 0.000 0.969 95 V HN 0.870 nan 8.190 nan 0.000 0.482 96 V N 2.304 122.245 119.914 0.045 0.000 3.661 96 V HA 0.368 4.488 4.120 -0.000 0.000 0.271 96 V C 0.051 176.230 176.094 0.142 0.000 1.315 96 V CA 0.265 62.602 62.300 0.061 0.000 1.072 96 V CB -0.416 31.430 31.823 0.038 0.000 0.830 96 V HN 0.685 nan 8.190 nan 0.000 0.443 97 Y N -0.175 120.134 120.300 0.014 0.000 2.441 97 Y HA 0.732 5.282 4.550 -0.001 0.000 0.334 97 Y C -1.320 174.612 175.900 0.054 0.000 1.061 97 Y CA -1.127 56.989 58.100 0.027 0.000 1.032 97 Y CB 2.161 40.623 38.460 0.004 0.000 1.266 97 Y HN -0.028 nan 8.280 nan 0.000 0.441 98 V N 5.829 125.316 119.914 -0.711 0.000 2.888 98 V HA 0.570 4.689 4.120 -0.000 0.000 0.309 98 V C -1.578 174.186 176.094 -0.551 0.000 1.114 98 V CA -0.444 61.605 62.300 -0.419 0.000 0.940 98 V CB 2.207 34.000 31.823 -0.051 0.000 1.021 98 V HN 0.883 nan 8.190 nan 0.000 0.426 99 E N 3.869 123.905 120.200 -0.273 0.000 2.133 99 E HA 0.553 4.903 4.350 -0.000 0.000 0.274 99 E C -1.271 175.308 176.600 -0.036 0.000 0.930 99 E CA -0.423 55.903 56.400 -0.124 0.000 0.770 99 E CB 2.345 32.037 29.700 -0.015 0.000 1.104 99 E HN 0.549 nan 8.360 nan 0.000 0.403 100 V N 4.510 124.398 119.914 -0.043 0.000 2.513 100 V HA 0.553 4.673 4.120 -0.000 0.000 0.299 100 V C -0.694 175.361 176.094 -0.066 0.000 1.035 100 V CA -0.491 61.717 62.300 -0.152 0.000 0.889 100 V CB 1.279 32.815 31.823 -0.478 0.000 0.988 100 V HN 0.717 nan 8.190 nan 0.000 0.440 101 R N 5.519 125.966 120.500 -0.089 0.000 2.807 101 R HA 0.809 5.149 4.340 -0.000 0.000 0.276 101 R C -1.727 174.651 176.300 0.131 0.000 0.979 101 R CA -0.591 55.484 56.100 -0.042 0.000 0.928 101 R CB 2.064 32.241 30.300 -0.205 0.000 1.191 101 R HN 0.826 nan 8.270 nan 0.000 0.471 102 Y N -2.663 117.635 120.300 -0.003 0.000 2.702 102 Y HA 0.407 4.957 4.550 -0.001 0.000 0.336 102 Y C -1.424 174.535 175.900 0.098 0.000 1.203 102 Y CA -1.236 56.912 58.100 0.080 0.000 1.072 102 Y CB 1.225 39.709 38.460 0.040 0.000 1.327 102 Y HN 0.643 nan 8.280 nan 0.000 0.456 103 S N 2.966 118.739 115.700 0.121 0.000 2.430 103 S HA 0.384 4.853 4.470 -0.000 0.000 0.289 103 S C -1.785 172.914 174.600 0.165 0.000 1.143 103 S CA -1.572 56.675 58.200 0.078 0.000 1.067 103 S CB 0.844 64.173 63.200 0.215 0.000 0.964 103 S HN 0.574 nan 8.310 nan 0.000 0.485 104 P HA -0.084 nan 4.420 nan 0.000 0.219 104 P C 0.666 177.897 177.300 -0.115 0.000 1.150 104 P CA 1.304 64.457 63.100 0.088 0.000 0.814 104 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 105 H N -0.175 118.746 119.070 -0.248 0.000 2.422 105 H HA -0.010 4.546 4.556 -0.000 0.000 0.298 105 H C 1.923 177.049 175.328 -0.337 0.000 1.098 105 H CA 0.975 56.692 56.048 -0.551 0.000 1.315 105 H CB -0.907 28.051 29.762 -1.340 0.000 1.382 105 H HN 0.062 nan 8.280 nan 0.000 0.523 106 L N -0.031 121.233 121.223 0.069 0.000 2.551 106 L HA -0.065 4.274 4.340 -0.000 0.000 0.228 106 L C 1.037 178.150 176.870 0.406 0.000 1.153 106 L CA 0.579 55.570 54.840 0.253 0.000 0.851 106 L CB 0.054 42.377 42.059 0.441 0.000 0.959 106 L HN 0.303 nan 8.230 nan 0.000 0.451 107 L N -0.850 120.503 121.223 0.218 0.000 2.906 107 L HA 0.368 4.707 4.340 -0.000 0.000 0.255 107 L C 0.788 177.703 176.870 0.075 0.000 1.166 107 L CA -0.332 54.606 54.840 0.164 0.000 0.977 107 L CB 0.521 42.638 42.059 0.097 0.000 1.313 107 L HN 0.088 nan 8.230 nan 0.000 0.549 108 A N 0.343 123.180 122.820 0.029 0.000 2.281 108 A HA 0.553 4.873 4.320 -0.000 0.000 0.329 108 A C 0.294 177.884 177.584 0.009 0.000 1.122 108 A CA -0.369 51.656 52.037 -0.020 0.000 0.850 108 A CB 0.543 19.477 19.000 -0.110 0.000 1.207 108 A HN 0.305 nan 8.150 nan 0.000 0.495 109 N N -1.087 117.615 118.700 0.004 0.000 2.184 109 N HA 0.160 4.900 4.740 -0.000 0.000 0.234 109 N C -0.652 174.863 175.510 0.008 0.000 1.282 109 N CA 0.444 53.508 53.050 0.022 0.000 0.877 109 N CB 0.341 38.854 38.487 0.043 0.000 1.184 109 N HN 0.617 nan 8.380 nan 0.000 0.510 110 S N -0.768 114.925 115.700 -0.011 0.000 2.588 110 S HA 0.452 4.921 4.470 -0.000 0.000 0.269 110 S C -0.700 173.884 174.600 -0.026 0.000 1.157 110 S CA -1.028 57.167 58.200 -0.009 0.000 0.824 110 S CB 1.676 64.873 63.200 -0.004 0.000 1.126 110 S HN 0.114 nan 8.310 nan 0.000 0.464 111 K N -0.830 119.565 120.400 -0.009 0.000 3.071 111 K HA -0.143 4.177 4.320 -0.000 0.000 0.262 111 K C -0.780 175.814 176.600 -0.009 0.000 0.977 111 K CA 0.833 57.117 56.287 -0.006 0.000 0.721 111 K CB -1.769 30.723 32.500 -0.014 0.000 1.293 111 K HN 0.822 nan 8.250 nan 0.000 0.475 112 V N 0.187 120.104 119.914 0.005 0.000 2.711 112 V HA 0.397 4.517 4.120 -0.000 0.000 0.304 112 V C -1.378 174.780 176.094 0.107 0.000 1.097 112 V CA -0.647 61.659 62.300 0.010 0.000 0.906 112 V CB 2.029 33.792 31.823 -0.099 0.000 1.015 112 V HN 0.267 nan 8.190 nan 0.000 0.427 113 E N 6.927 127.277 120.200 0.252 0.000 2.292 113 E HA 0.540 4.890 4.350 -0.000 0.000 0.272 113 E C -2.850 173.956 176.600 0.343 0.000 0.881 113 E CA -1.833 54.712 56.400 0.241 0.000 0.754 113 E CB 2.974 32.763 29.700 0.149 0.000 1.201 113 E HN 0.597 nan 8.360 nan 0.000 0.425 114 P HA 0.145 nan 4.420 nan 0.000 0.268 114 P C 0.306 177.698 177.300 0.153 0.000 1.205 114 P CA 0.014 63.189 63.100 0.124 0.000 0.771 114 P CB 0.563 32.292 31.700 0.048 0.000 0.858 115 I N 4.573 125.191 120.570 0.080 0.000 2.741 115 I HA -0.019 4.151 4.170 -0.000 0.000 0.288 115 I C -1.517 174.590 176.117 -0.015 0.000 1.192 115 I CA -1.316 60.009 61.300 0.042 0.000 1.426 115 I CB -0.470 37.552 38.000 0.036 0.000 1.367 115 I HN 0.218 nan 8.210 nan 0.000 0.563 116 P HA -0.033 nan 4.420 nan 0.000 0.272 116 P C -0.733 176.408 177.300 -0.265 0.000 1.223 116 P CA -0.152 62.699 63.100 -0.416 0.000 0.784 116 P CB 0.229 31.503 31.700 -0.710 0.000 0.923 117 W N 0.294 121.644 121.300 0.083 0.000 4.435 117 W HA -0.264 4.396 4.660 -0.001 0.000 0.351 117 W C 0.350 176.903 176.519 0.056 0.000 1.319 117 W CA 0.552 57.932 57.345 0.059 0.000 0.791 117 W CB -3.232 26.256 29.460 0.045 0.000 2.419 117 W HN 0.562 nan 8.180 nan 0.000 1.406 118 N N -2.133 116.653 118.700 0.144 0.000 2.828 118 N HA -0.256 4.483 4.740 -0.000 0.000 0.248 118 N C 0.245 175.825 175.510 0.116 0.000 1.044 118 N CA 1.327 54.449 53.050 0.120 0.000 0.851 118 N CB -0.946 37.617 38.487 0.126 0.000 1.136 118 N HN 0.559 nan 8.380 nan 0.000 0.572 119 Q N 0.484 120.363 119.800 0.132 0.000 2.364 119 Q HA 0.521 4.861 4.340 -0.000 0.000 0.267 119 Q C 0.392 176.439 176.000 0.078 0.000 0.999 119 Q CA 0.269 56.143 55.803 0.118 0.000 0.886 119 Q CB 0.757 29.572 28.738 0.128 0.000 1.243 119 Q HN 0.390 nan 8.270 nan 0.000 0.415 120 A N 2.330 125.190 122.820 0.066 0.000 2.332 120 A HA 0.093 4.413 4.320 -0.000 0.000 0.258 120 A C -0.000 177.610 177.584 0.044 0.000 1.087 120 A CA -0.400 51.667 52.037 0.049 0.000 0.802 120 A CB 0.356 19.381 19.000 0.042 0.000 1.042 120 A HN 0.807 nan 8.150 nan 0.000 0.489 121 E N -0.282 119.939 120.200 0.035 0.000 2.481 121 E HA 0.310 4.660 4.350 -0.000 0.000 0.263 121 E C 0.648 177.264 176.600 0.026 0.000 0.992 121 E CA 0.841 57.258 56.400 0.029 0.000 0.938 121 E CB 0.411 30.126 29.700 0.024 0.000 0.933 121 E HN 0.781 nan 8.360 nan 0.000 0.453 122 G N 1.926 110.740 108.800 0.022 0.000 3.107 122 G HA2 0.171 4.131 3.960 -0.000 0.000 0.233 122 G HA3 0.171 4.131 3.960 -0.000 0.000 0.233 122 G C -0.924 173.983 174.900 0.012 0.000 1.168 122 G CA 0.064 45.176 45.100 0.019 0.000 0.801 122 G HN 0.645 nan 8.290 nan 0.000 0.605 123 D N -0.838 119.566 120.400 0.008 0.000 2.712 123 D HA 0.148 4.788 4.640 -0.000 0.000 0.300 123 D C -0.132 176.165 176.300 -0.006 0.000 1.521 123 D CA -0.290 53.711 54.000 0.002 0.000 0.790 123 D CB -0.200 40.603 40.800 0.004 0.000 1.155 123 D HN 0.265 nan 8.370 nan 0.000 0.456 124 L N 2.446 123.663 121.223 -0.010 0.000 2.261 124 L HA 0.327 4.667 4.340 -0.000 0.000 0.289 124 L C 0.413 177.260 176.870 -0.039 0.000 1.059 124 L CA -0.075 54.751 54.840 -0.023 0.000 0.816 124 L CB 0.895 42.942 42.059 -0.021 0.000 1.191 124 L HN 0.142 nan 8.230 nan 0.000 0.431 125 T N 1.432 115.958 114.554 -0.047 0.000 2.788 125 T HA 0.321 4.671 4.350 -0.000 0.000 0.280 125 T C -1.939 172.686 174.700 -0.126 0.000 0.984 125 T CA -1.516 60.539 62.100 -0.074 0.000 0.972 125 T CB 1.249 70.083 68.868 -0.057 0.000 1.039 125 T HN 0.338 nan 8.240 nan 0.000 0.530 126 P HA -0.042 nan 4.420 nan 0.000 0.217 126 P C 1.376 178.553 177.300 -0.205 0.000 1.151 126 P CA 0.667 63.576 63.100 -0.318 0.000 0.828 126 P CB 0.009 31.304 31.700 -0.674 0.000 0.788 127 D N 0.130 120.452 120.400 -0.131 0.000 2.104 127 D HA -0.232 4.407 4.640 -0.000 0.000 0.194 127 D C 1.890 178.151 176.300 -0.065 0.000 0.994 127 D CA 1.271 55.257 54.000 -0.024 0.000 0.830 127 D CB -0.177 40.657 40.800 0.057 0.000 0.959 127 D HN 0.165 nan 8.370 nan 0.000 0.452 128 E N -0.067 120.102 120.200 -0.051 0.000 2.085 128 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 128 E C 2.340 178.882 176.600 -0.097 0.000 0.994 128 E CA 0.978 57.342 56.400 -0.059 0.000 0.801 128 E CB 0.101 29.779 29.700 -0.037 0.000 0.743 128 E HN 0.114 nan 8.360 nan 0.000 0.453 129 V N 0.489 120.344 119.914 -0.098 0.000 2.324 129 V HA -0.289 3.830 4.120 -0.000 0.000 0.250 129 V C 2.412 178.441 176.094 -0.108 0.000 1.060 129 V CA 1.649 63.895 62.300 -0.090 0.000 1.042 129 V CB -0.378 31.414 31.823 -0.051 0.000 0.650 129 V HN 0.239 nan 8.190 nan 0.000 0.450 130 V N -0.471 119.352 119.914 -0.151 0.000 2.407 130 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 130 V C 2.642 178.510 176.094 -0.376 0.000 1.055 130 V CA 2.293 64.462 62.300 -0.219 0.000 1.049 130 V CB -0.650 30.936 31.823 -0.396 0.000 0.662 130 V HN 0.645 nan 8.190 nan 0.000 0.455 131 S N -0.347 115.092 115.700 -0.434 0.000 2.368 131 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 131 S C 1.952 176.458 174.600 -0.156 0.000 1.030 131 S CA 1.602 59.607 58.200 -0.325 0.000 0.999 131 S CB -0.297 62.794 63.200 -0.182 0.000 0.844 131 S HN 0.515 nan 8.310 nan 0.000 0.459 132 L N 0.915 122.064 121.223 -0.124 0.000 2.046 132 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 132 L C 2.561 179.378 176.870 -0.088 0.000 1.077 132 L CA 1.019 55.807 54.840 -0.087 0.000 0.747 132 L CB -0.633 41.375 42.059 -0.085 0.000 0.896 132 L HN 0.222 nan 8.230 nan 0.000 0.432 133 V N 0.358 120.191 119.914 -0.135 0.000 2.295 133 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 133 V C 2.060 178.115 176.094 -0.065 0.000 1.049 133 V CA 2.280 64.486 62.300 -0.157 0.000 1.024 133 V CB -0.833 30.807 31.823 -0.305 0.000 0.648 133 V HN 0.528 nan 8.190 nan 0.000 0.447 134 N N -0.269 118.393 118.700 -0.064 0.000 2.060 134 N HA -0.296 4.444 4.740 -0.000 0.000 0.195 134 N C 1.900 177.423 175.510 0.022 0.000 1.028 134 N CA 1.716 54.758 53.050 -0.013 0.000 0.861 134 N CB -0.237 38.229 38.487 -0.034 0.000 1.029 134 N HN 0.589 nan 8.380 nan 0.000 0.428 135 Q N 0.107 119.909 119.800 0.003 0.000 2.045 135 Q HA -0.146 4.193 4.340 -0.000 0.000 0.206 135 Q C 2.489 178.528 176.000 0.065 0.000 0.991 135 Q CA 1.589 57.407 55.803 0.025 0.000 0.851 135 Q CB -0.420 28.318 28.738 0.001 0.000 0.911 135 Q HN 0.499 nan 8.270 nan 0.000 0.418 136 G N 0.567 109.409 108.800 0.070 0.000 2.422 136 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.218 136 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.218 136 G C 1.292 176.334 174.900 0.238 0.000 1.146 136 G CA 0.527 45.730 45.100 0.170 0.000 0.769 136 G HN 0.105 nan 8.290 nan 0.000 0.547 137 L N 0.398 121.709 121.223 0.148 0.000 2.072 137 L HA 0.035 4.374 4.340 -0.000 0.000 0.205 137 L C 2.996 179.952 176.870 0.143 0.000 1.079 137 L CA 1.373 56.306 54.840 0.156 0.000 0.752 137 L CB -1.222 40.905 42.059 0.115 0.000 0.906 137 L HN 0.340 nan 8.230 nan 0.000 0.436 138 Q N -0.718 119.152 119.800 0.116 0.000 2.079 138 Q HA -0.189 4.150 4.340 -0.000 0.000 0.200 138 Q C 2.007 178.068 176.000 0.100 0.000 0.974 138 Q CA 1.401 57.262 55.803 0.097 0.000 0.840 138 Q CB -0.097 28.687 28.738 0.076 0.000 0.898 138 Q HN 0.554 nan 8.270 nan 0.000 0.430 139 E N 0.305 120.584 120.200 0.132 0.000 2.070 139 E HA -0.205 4.144 4.350 -0.000 0.000 0.197 139 E C 2.081 178.819 176.600 0.230 0.000 1.004 139 E CA 1.125 57.633 56.400 0.180 0.000 0.805 139 E CB -0.329 29.479 29.700 0.179 0.000 0.744 139 E HN 0.489 nan 8.360 nan 0.000 0.451 140 G N 1.188 110.146 108.800 0.262 0.000 2.408 140 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 140 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 140 G C 1.401 176.340 174.900 0.064 0.000 1.150 140 G CA 0.894 46.023 45.100 0.048 0.000 0.776 140 G HN 0.332 nan 8.290 nan 0.000 0.542 141 E N 0.345 120.598 120.200 0.087 0.000 2.038 141 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 141 E C 2.666 179.270 176.600 0.007 0.000 1.000 141 E CA 1.079 57.518 56.400 0.064 0.000 0.803 141 E CB -0.033 29.714 29.700 0.079 0.000 0.750 141 E HN 0.117 nan 8.360 nan 0.000 0.448 142 R N 1.037 121.536 120.500 -0.002 0.000 2.103 142 R HA -0.148 4.191 4.340 -0.000 0.000 0.242 142 R C 1.845 178.074 176.300 -0.117 0.000 1.142 142 R CA 1.708 57.788 56.100 -0.035 0.000 0.960 142 R CB -1.026 29.265 30.300 -0.015 0.000 0.858 142 R HN 0.408 nan 8.270 nan 0.000 0.439 143 D N -0.840 119.410 120.400 -0.250 0.000 2.183 143 D HA -0.000 4.639 4.640 -0.000 0.000 0.205 143 D C 1.527 177.437 176.300 -0.649 0.000 0.962 143 D CA 0.902 54.588 54.000 -0.523 0.000 0.849 143 D CB -0.059 40.258 40.800 -0.804 0.000 0.978 143 D HN 0.258 nan 8.370 nan 0.000 0.488 144 F N -0.772 119.143 119.950 -0.058 0.000 2.720 144 F HA 0.298 4.825 4.527 -0.000 0.000 0.301 144 F C 1.595 177.356 175.800 -0.064 0.000 1.103 144 F CA 0.067 58.015 58.000 -0.087 0.000 1.291 144 F CB 0.721 39.626 39.000 -0.158 0.000 1.086 144 F HN -0.033 nan 8.300 nan 0.000 0.592 145 G N 1.573 110.414 108.800 0.068 0.000 2.171 145 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.238 145 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.238 145 G C -0.471 174.462 174.900 0.055 0.000 1.039 145 G CA -0.004 45.125 45.100 0.048 0.000 0.759 145 G HN 0.161 nan 8.290 nan 0.000 0.501 146 V N 0.099 120.054 119.914 0.067 0.000 2.604 146 V HA 0.580 4.699 4.120 -0.000 0.000 0.305 146 V C 0.489 176.626 176.094 0.071 0.000 1.043 146 V CA -1.023 61.307 62.300 0.050 0.000 0.888 146 V CB 1.991 33.819 31.823 0.007 0.000 0.995 146 V HN 0.404 nan 8.190 nan 0.000 0.429 147 K N 2.966 123.431 120.400 0.109 0.000 2.205 147 K HA 0.716 5.036 4.320 -0.000 0.000 0.279 147 K C -1.414 175.242 176.600 0.093 0.000 1.027 147 K CA -0.304 56.078 56.287 0.158 0.000 0.932 147 K CB 1.448 34.114 32.500 0.277 0.000 1.032 147 K HN 0.496 nan 8.250 nan 0.000 0.466 148 V N 4.957 124.921 119.914 0.083 0.000 2.623 148 V HA 0.500 4.619 4.120 -0.000 0.000 0.304 148 V C -0.602 175.529 176.094 0.062 0.000 1.054 148 V CA -1.007 61.294 62.300 0.002 0.000 0.882 148 V CB 1.734 33.608 31.823 0.085 0.000 1.002 148 V HN 0.812 nan 8.190 nan 0.000 0.424 149 R N 1.854 122.355 120.500 0.002 0.000 2.888 149 R HA 0.829 5.168 4.340 -0.000 0.000 0.266 149 R C -0.452 175.892 176.300 0.074 0.000 1.020 149 R CA -0.587 55.576 56.100 0.105 0.000 0.963 149 R CB 2.379 32.808 30.300 0.215 0.000 1.197 149 R HN 0.878 nan 8.270 nan 0.000 0.481 150 S N 0.000 115.762 115.700 0.103 0.000 2.638 150 S HA 0.747 5.217 4.470 -0.000 0.000 0.302 150 S C -0.171 174.471 174.600 0.071 0.000 1.096 150 S CA -0.783 57.473 58.200 0.094 0.000 0.953 150 S CB 1.611 64.903 63.200 0.153 0.000 1.107 150 S HN 0.450 nan 8.310 nan 0.000 0.503 151 I N 1.330 121.909 120.570 0.015 0.000 2.499 151 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 151 I C -1.035 174.967 176.117 -0.193 0.000 1.048 151 I CA -0.821 60.456 61.300 -0.038 0.000 1.062 151 I CB 1.863 39.868 38.000 0.008 0.000 1.238 151 I HN 0.516 nan 8.210 nan 0.000 0.426 152 L N 5.138 126.236 121.223 -0.209 0.000 2.292 152 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 152 L C -0.667 176.117 176.870 -0.143 0.000 1.065 152 L CA -0.531 54.125 54.840 -0.306 0.000 0.806 152 L CB 1.121 43.041 42.059 -0.231 0.000 1.175 152 L HN 0.587 nan 8.230 nan 0.000 0.431 153 C N 2.361 121.593 119.300 -0.113 0.000 2.273 153 C HA 0.378 4.838 4.460 -0.000 0.000 0.328 153 C C 0.794 175.843 174.990 0.099 0.000 1.275 153 C CA -0.991 58.046 59.018 0.031 0.000 1.704 153 C CB 0.302 28.091 27.740 0.081 0.000 2.326 153 C HN 0.845 nan 8.230 nan 0.000 0.517 154 C N 4.849 124.230 119.300 0.136 0.000 2.689 154 C HA 0.349 4.809 4.460 -0.000 0.000 0.409 154 C C 0.468 175.539 174.990 0.135 0.000 1.293 154 C CA -0.316 58.815 59.018 0.188 0.000 2.136 154 C CB -0.194 27.677 27.740 0.219 0.000 2.719 154 C HN 0.723 nan 8.230 nan 0.000 0.644 155 M N 2.961 122.647 119.600 0.143 0.000 2.167 155 M HA 0.290 4.770 4.480 -0.000 0.000 0.333 155 M C 1.180 177.483 176.300 0.006 0.000 1.030 155 M CA -0.304 55.009 55.300 0.022 0.000 0.963 155 M CB 1.250 33.789 32.600 -0.101 0.000 1.589 155 M HN 0.708 nan 8.290 nan 0.000 0.431 156 R N 1.831 122.344 120.500 0.021 0.000 2.134 156 R HA -0.204 4.135 4.340 -0.000 0.000 0.248 156 R C 1.603 178.104 176.300 0.336 0.000 1.143 156 R CA 1.962 58.116 56.100 0.090 0.000 0.957 156 R CB -0.788 29.537 30.300 0.042 0.000 0.867 156 R HN 0.768 nan 8.270 nan 0.000 0.441 157 H N -1.081 118.045 119.070 0.093 0.000 2.551 157 H HA 0.137 4.693 4.556 -0.000 0.000 0.266 157 H C 0.077 175.349 175.328 -0.094 0.000 0.977 157 H CA 0.195 56.282 56.048 0.066 0.000 1.163 157 H CB 0.370 30.107 29.762 -0.042 0.000 1.381 157 H HN -0.031 nan 8.280 nan 0.000 0.581 158 Q N 1.663 121.120 119.800 -0.572 0.000 2.943 158 Q HA 0.220 4.560 4.340 -0.000 0.000 0.327 158 Q C -1.929 173.790 176.000 -0.469 0.000 0.937 158 Q CA -2.181 53.153 55.803 -0.783 0.000 0.914 158 Q CB 1.549 29.337 28.738 -1.583 0.000 1.339 158 Q HN 0.335 nan 8.270 nan 0.000 0.417 159 P HA -0.149 nan 4.420 nan 0.000 0.223 159 P C 0.961 178.094 177.300 -0.279 0.000 1.144 159 P CA 1.041 63.828 63.100 -0.523 0.000 0.783 159 P CB 0.240 31.556 31.700 -0.639 0.000 0.771 160 S N -2.741 112.781 115.700 -0.297 0.000 2.481 160 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 160 S C 1.535 176.163 174.600 0.046 0.000 0.996 160 S CA 0.205 58.319 58.200 -0.144 0.000 0.942 160 S CB -1.108 61.990 63.200 -0.170 0.000 0.768 160 S HN 0.111 nan 8.310 nan 0.000 0.520 161 W N 2.244 123.431 121.300 -0.190 0.000 2.770 161 W HA 0.396 5.055 4.660 -0.000 0.000 0.256 161 W C 2.264 178.744 176.519 -0.064 0.000 1.291 161 W CA -0.625 56.565 57.345 -0.258 0.000 1.396 161 W CB -1.273 27.813 29.460 -0.623 0.000 1.114 161 W HN 0.326 nan 8.180 nan 0.000 0.637 162 S N 0.034 115.850 115.700 0.193 0.000 2.406 162 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 162 S C 2.027 176.720 174.600 0.154 0.000 1.020 162 S CA 1.528 59.856 58.200 0.214 0.000 0.965 162 S CB -0.415 62.965 63.200 0.300 0.000 0.798 162 S HN 0.273 nan 8.310 nan 0.000 0.488 163 S N 1.410 117.181 115.700 0.117 0.000 2.453 163 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 163 S C 1.676 176.328 174.600 0.088 0.000 1.005 163 S CA 0.938 59.189 58.200 0.085 0.000 0.949 163 S CB -0.208 63.027 63.200 0.059 0.000 0.774 163 S HN 0.603 nan 8.310 nan 0.000 0.510 164 E N 0.593 120.874 120.200 0.136 0.000 2.158 164 E HA -0.055 4.294 4.350 -0.000 0.000 0.191 164 E C 1.782 178.461 176.600 0.131 0.000 0.982 164 E CA 0.917 57.398 56.400 0.136 0.000 0.823 164 E CB -0.108 29.703 29.700 0.186 0.000 0.766 164 E HN 0.456 nan 8.360 nan 0.000 0.468 165 V N 0.883 120.902 119.914 0.174 0.000 2.252 165 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 165 V C 2.392 178.506 176.094 0.033 0.000 1.056 165 V CA 1.705 64.067 62.300 0.103 0.000 1.022 165 V CB -0.541 31.354 31.823 0.120 0.000 0.641 165 V HN 0.247 nan 8.190 nan 0.000 0.445 166 V N -0.304 119.622 119.914 0.021 0.000 2.427 166 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 166 V C 2.641 178.725 176.094 -0.017 0.000 1.051 166 V CA 1.787 64.067 62.300 -0.034 0.000 1.048 166 V CB -0.411 31.379 31.823 -0.056 0.000 0.666 166 V HN 0.584 nan 8.190 nan 0.000 0.456 167 E N -0.152 120.052 120.200 0.007 0.000 2.160 167 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 167 E C 2.111 178.717 176.600 0.010 0.000 0.991 167 E CA 1.234 57.635 56.400 0.001 0.000 0.810 167 E CB -0.272 29.434 29.700 0.010 0.000 0.742 167 E HN 0.532 nan 8.360 nan 0.000 0.466 168 L N -0.036 121.215 121.223 0.046 0.000 2.072 168 L HA -0.153 4.186 4.340 -0.000 0.000 0.205 168 L C 2.589 179.541 176.870 0.137 0.000 1.079 168 L CA 0.767 55.680 54.840 0.121 0.000 0.752 168 L CB -0.265 41.860 42.059 0.111 0.000 0.906 168 L HN 0.150 nan 8.230 nan 0.000 0.436 169 C N -0.294 119.035 119.300 0.048 0.000 2.411 169 C HA -0.152 4.308 4.460 -0.000 0.000 0.279 169 C C 2.729 177.721 174.990 0.004 0.000 1.288 169 C CA 0.641 59.672 59.018 0.022 0.000 1.764 169 C CB -0.816 26.895 27.740 -0.048 0.000 1.974 169 C HN 0.411 nan 8.230 nan 0.000 0.498 170 K N 0.864 121.250 120.400 -0.024 0.000 2.116 170 K HA -0.109 4.210 4.320 -0.000 0.000 0.203 170 K C 2.187 178.736 176.600 -0.086 0.000 1.052 170 K CA 0.824 57.080 56.287 -0.052 0.000 0.952 170 K CB -0.210 32.254 32.500 -0.059 0.000 0.729 170 K HN 0.497 nan 8.250 nan 0.000 0.446 171 K N 0.392 120.713 120.400 -0.132 0.000 2.025 171 K HA -0.133 4.186 4.320 -0.000 0.000 0.207 171 K C 0.999 177.320 176.600 -0.465 0.000 1.049 171 K CA 1.371 57.456 56.287 -0.336 0.000 0.933 171 K CB 0.001 32.215 32.500 -0.476 0.000 0.714 171 K HN 0.064 nan 8.250 nan 0.000 0.438 172 Y N 1.939 122.233 120.300 -0.009 0.000 2.495 172 Y HA 0.116 4.665 4.550 -0.000 0.000 0.293 172 Y C 0.044 175.949 175.900 0.009 0.000 1.186 172 Y CA -0.452 57.650 58.100 0.004 0.000 1.266 172 Y CB -0.235 38.233 38.460 0.012 0.000 1.101 172 Y HN 0.074 nan 8.280 nan 0.000 0.517 173 R N 0.617 121.157 120.500 0.066 0.000 2.679 173 R HA 0.008 4.348 4.340 -0.000 0.000 0.268 173 R C 0.640 176.977 176.300 0.062 0.000 1.044 173 R CA 0.366 56.496 56.100 0.050 0.000 1.105 173 R CB 0.280 30.579 30.300 -0.001 0.000 0.989 173 R HN 0.496 nan 8.270 nan 0.000 0.447 174 E N -0.149 120.095 120.200 0.073 0.000 3.760 174 E HA -0.326 4.024 4.350 -0.000 0.000 0.317 174 E C -0.117 176.546 176.600 0.105 0.000 0.730 174 E CA 1.835 58.288 56.400 0.088 0.000 1.106 174 E CB -0.307 29.434 29.700 0.068 0.000 1.574 174 E HN 0.817 nan 8.360 nan 0.000 0.451 175 Q N -0.404 119.468 119.800 0.120 0.000 2.141 175 Q HA 0.093 4.432 4.340 -0.000 0.000 0.295 175 Q C -0.001 176.096 176.000 0.162 0.000 0.870 175 Q CA 0.673 56.556 55.803 0.134 0.000 1.096 175 Q CB 0.890 29.709 28.738 0.135 0.000 1.288 175 Q HN 0.284 nan 8.270 nan 0.000 0.418 176 T N -3.464 111.168 114.554 0.131 0.000 3.174 176 T HA 0.191 4.540 4.350 -0.000 0.000 0.269 176 T C 0.347 175.123 174.700 0.126 0.000 1.017 176 T CA -0.227 61.946 62.100 0.123 0.000 0.899 176 T CB 0.468 69.403 68.868 0.112 0.000 1.077 176 T HN 0.075 nan 8.240 nan 0.000 0.552 177 V N 2.488 122.478 119.914 0.128 0.000 2.455 177 V HA 0.507 4.627 4.120 -0.000 0.000 0.273 177 V C 1.033 177.180 176.094 0.089 0.000 1.045 177 V CA -0.220 62.142 62.300 0.103 0.000 0.976 177 V CB 0.914 32.786 31.823 0.083 0.000 0.993 177 V HN 0.422 nan 8.190 nan 0.000 0.475 178 V N 3.485 123.459 119.914 0.099 0.000 3.528 178 V HA 0.866 4.986 4.120 -0.000 0.000 0.294 178 V C 0.555 176.653 176.094 0.007 0.000 1.404 178 V CA 0.579 62.944 62.300 0.109 0.000 1.065 178 V CB -0.593 31.361 31.823 0.219 0.000 0.904 178 V HN 1.570 nan 8.190 nan 0.000 0.435 179 A N -0.086 122.704 122.820 -0.049 0.000 2.566 179 A HA 0.785 5.105 4.320 -0.000 0.000 0.290 179 A C -1.598 175.905 177.584 -0.135 0.000 1.071 179 A CA -0.411 51.513 52.037 -0.188 0.000 0.658 179 A CB 1.481 20.299 19.000 -0.304 0.000 1.285 179 A HN 0.384 nan 8.150 nan 0.000 0.427 180 I N 0.468 120.921 120.570 -0.194 0.000 2.525 180 I HA 0.661 4.831 4.170 -0.000 0.000 0.301 180 I C -1.022 175.063 176.117 -0.053 0.000 0.992 180 I CA -0.270 60.922 61.300 -0.181 0.000 1.162 180 I CB 1.603 39.379 38.000 -0.374 0.000 1.332 180 I HN 0.808 nan 8.210 nan 0.000 0.458 181 D N 5.280 125.708 120.400 0.048 0.000 2.477 181 D HA 0.472 5.112 4.640 -0.000 0.000 0.234 181 D C -1.771 174.689 176.300 0.266 0.000 1.048 181 D CA -0.479 53.642 54.000 0.203 0.000 0.959 181 D CB 2.073 42.961 40.800 0.146 0.000 1.408 181 D HN 0.392 nan 8.370 nan 0.000 0.496 182 L N 2.017 123.414 121.223 0.291 0.000 2.342 182 L HA 0.857 5.197 4.340 -0.000 0.000 0.276 182 L C -1.189 175.768 176.870 0.145 0.000 0.997 182 L CA -0.244 54.673 54.840 0.129 0.000 0.838 182 L CB 0.693 42.727 42.059 -0.042 0.000 1.224 182 L HN 0.527 nan 8.230 nan 0.000 0.416 183 A N 2.993 125.847 122.820 0.055 0.000 2.389 183 A HA 1.050 5.369 4.320 -0.000 0.000 0.293 183 A C 0.371 177.927 177.584 -0.047 0.000 1.186 183 A CA -0.031 51.940 52.037 -0.110 0.000 0.828 183 A CB 1.020 20.017 19.000 -0.005 0.000 1.369 183 A HN 1.702 nan 8.150 nan 0.000 0.446 184 G N -0.404 108.357 108.800 -0.064 0.000 2.408 184 G HA2 0.133 4.093 3.960 -0.000 0.000 0.204 184 G HA3 0.133 4.093 3.960 -0.000 0.000 0.204 184 G C -0.951 173.952 174.900 0.004 0.000 1.186 184 G CA 0.172 45.291 45.100 0.031 0.000 1.139 184 G HN 1.191 nan 8.290 nan 0.000 0.563 185 D N 1.760 122.175 120.400 0.026 0.000 2.411 185 D HA 0.400 5.040 4.640 -0.000 0.000 0.225 185 D C 1.622 177.906 176.300 -0.026 0.000 1.156 185 D CA 0.330 54.328 54.000 -0.004 0.000 0.874 185 D CB 0.608 41.404 40.800 -0.007 0.000 1.034 185 D HN 0.611 nan 8.370 nan 0.000 0.502 186 E N 1.084 121.261 120.200 -0.038 0.000 2.511 186 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 186 E C 0.857 177.412 176.600 -0.076 0.000 1.066 186 E CA 0.579 56.944 56.400 -0.059 0.000 0.871 186 E CB -0.201 29.478 29.700 -0.036 0.000 0.863 186 E HN 0.399 nan 8.360 nan 0.000 0.520 187 T N -1.138 113.378 114.554 -0.062 0.000 3.081 187 T HA 0.192 4.541 4.350 -0.000 0.000 0.250 187 T C 0.921 175.589 174.700 -0.053 0.000 1.100 187 T CA -0.457 61.604 62.100 -0.065 0.000 1.038 187 T CB -0.433 68.400 68.868 -0.058 0.000 0.962 187 T HN 0.092 nan 8.240 nan 0.000 0.516 188 I N 3.040 123.583 120.570 -0.045 0.000 2.752 188 I HA -0.004 4.165 4.170 -0.000 0.000 0.286 188 I C 0.841 176.926 176.117 -0.055 0.000 1.180 188 I CA 0.083 61.375 61.300 -0.014 0.000 1.404 188 I CB 0.162 38.180 38.000 0.031 0.000 1.389 188 I HN 0.412 nan 8.210 nan 0.000 0.549 189 E N 5.857 126.054 120.200 -0.005 0.000 2.558 189 E HA 0.014 4.364 4.350 -0.000 0.000 0.255 189 E C 1.219 177.804 176.600 -0.025 0.000 0.968 189 E CA 0.893 57.286 56.400 -0.012 0.000 0.939 189 E CB 0.291 30.007 29.700 0.027 0.000 0.921 189 E HN 0.896 nan 8.360 nan 0.000 0.477 190 G N 2.981 111.722 108.800 -0.098 0.000 2.205 190 G HA2 -0.389 3.570 3.960 -0.000 0.000 0.261 190 G HA3 -0.389 3.570 3.960 -0.000 0.000 0.261 190 G C 0.954 175.536 174.900 -0.530 0.000 0.980 190 G CA 0.836 45.872 45.100 -0.107 0.000 0.632 190 G HN 0.800 nan 8.290 nan 0.000 0.533 191 S N 0.140 115.375 115.700 -0.775 0.000 2.447 191 S HA 0.056 4.526 4.470 -0.000 0.000 0.233 191 S C 2.231 176.353 174.600 -0.796 0.000 1.006 191 S CA 1.797 59.044 58.200 -1.588 0.000 0.957 191 S CB -0.275 62.328 63.200 -0.995 0.000 0.773 191 S HN 0.735 nan 8.310 nan 0.000 0.507 192 S N 1.734 117.180 115.700 -0.424 0.000 2.442 192 S HA 0.119 4.589 4.470 -0.000 0.000 0.236 192 S C 1.095 175.615 174.600 -0.134 0.000 1.007 192 S CA 0.771 58.825 58.200 -0.242 0.000 0.965 192 S CB -0.262 62.828 63.200 -0.182 0.000 0.773 192 S HN 0.385 nan 8.310 nan 0.000 0.504 193 L N 0.308 121.447 121.223 -0.140 0.000 2.728 193 L HA 0.396 4.736 4.340 -0.000 0.000 0.238 193 L C -0.255 176.725 176.870 0.183 0.000 1.143 193 L CA -0.224 54.626 54.840 0.017 0.000 0.937 193 L CB -1.429 40.645 42.059 0.025 0.000 1.225 193 L HN 0.158 nan 8.230 nan 0.000 0.507 194 F N 2.064 122.043 119.950 0.049 0.000 2.629 194 F HA 0.099 4.625 4.527 -0.001 0.000 0.377 194 F C -0.655 175.107 175.800 -0.064 0.000 1.101 194 F CA -2.008 55.970 58.000 -0.036 0.000 1.301 194 F CB -0.309 38.626 39.000 -0.109 0.000 1.062 194 F HN -0.036 nan 8.300 nan 0.000 0.583 195 P HA -0.125 nan 4.420 nan 0.000 0.216 195 P C 1.731 179.046 177.300 0.025 0.000 1.150 195 P CA 2.041 65.168 63.100 0.044 0.000 0.837 195 P CB 0.082 31.784 31.700 0.004 0.000 0.786 196 G N -0.857 107.909 108.800 -0.056 0.000 2.440 196 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 196 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 196 G C 1.182 176.092 174.900 0.016 0.000 1.154 196 G CA 1.111 46.161 45.100 -0.083 0.000 0.767 196 G HN 0.369 nan 8.290 nan 0.000 0.552 197 H N -0.563 118.597 119.070 0.150 0.000 2.326 197 H HA 0.007 4.563 4.556 -0.001 0.000 0.301 197 H C 2.783 178.213 175.328 0.171 0.000 1.081 197 H CA 0.758 56.904 56.048 0.163 0.000 1.334 197 H CB -0.029 29.787 29.762 0.091 0.000 1.385 197 H HN 0.193 nan 8.280 nan 0.000 0.504 198 V N 0.888 120.938 119.914 0.226 0.000 2.324 198 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 198 V C 2.297 178.489 176.094 0.163 0.000 1.060 198 V CA 1.827 64.217 62.300 0.150 0.000 1.042 198 V CB -0.406 31.475 31.823 0.096 0.000 0.650 198 V HN 0.350 nan 8.190 nan 0.000 0.450 199 Q N -0.338 119.541 119.800 0.132 0.000 2.172 199 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 199 Q C 2.247 178.316 176.000 0.114 0.000 0.964 199 Q CA 1.653 57.516 55.803 0.101 0.000 0.855 199 Q CB -0.703 28.072 28.738 0.062 0.000 0.918 199 Q HN 0.646 nan 8.270 nan 0.000 0.444 200 A N -0.979 121.939 122.820 0.164 0.000 1.898 200 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 200 A C 1.626 179.273 177.584 0.105 0.000 1.181 200 A CA 1.271 53.390 52.037 0.136 0.000 0.620 200 A CB -0.717 18.384 19.000 0.168 0.000 0.819 200 A HN 0.408 nan 8.150 nan 0.000 0.442 201 Y N -0.314 120.020 120.300 0.056 0.000 2.395 201 Y HA 0.099 4.649 4.550 -0.000 0.000 0.293 201 Y C 2.777 178.686 175.900 0.015 0.000 1.123 201 Y CA 0.287 58.405 58.100 0.031 0.000 1.227 201 Y CB -0.469 38.011 38.460 0.033 0.000 1.012 201 Y HN 0.324 nan 8.280 nan 0.000 0.552 202 A N -0.203 122.718 122.820 0.167 0.000 1.969 202 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 202 A C 2.068 179.672 177.584 0.034 0.000 1.169 202 A CA 1.811 53.897 52.037 0.083 0.000 0.635 202 A CB -0.456 18.585 19.000 0.068 0.000 0.810 202 A HN 0.388 nan 8.150 nan 0.000 0.445 203 E N 0.274 120.489 120.200 0.025 0.000 2.152 203 E HA 0.046 4.396 4.350 -0.000 0.000 0.192 203 E C 1.908 178.480 176.600 -0.047 0.000 0.983 203 E CA 1.243 57.637 56.400 -0.009 0.000 0.818 203 E CB -0.391 29.303 29.700 -0.010 0.000 0.758 203 E HN 0.443 nan 8.360 nan 0.000 0.467 204 A N 0.188 122.959 122.820 -0.082 0.000 1.902 204 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 204 A C 2.420 179.937 177.584 -0.112 0.000 1.181 204 A CA 1.677 53.625 52.037 -0.147 0.000 0.623 204 A CB -0.826 18.013 19.000 -0.268 0.000 0.818 204 A HN 0.195 nan 8.150 nan 0.000 0.443 205 V N 0.556 120.434 119.914 -0.059 0.000 2.255 205 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 205 V C 2.549 178.614 176.094 -0.049 0.000 1.051 205 V CA 2.508 64.782 62.300 -0.043 0.000 1.018 205 V CB -0.827 30.995 31.823 -0.001 0.000 0.641 205 V HN 0.760 nan 8.190 nan 0.000 0.445 206 K N 0.500 120.880 120.400 -0.034 0.000 2.103 206 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 206 K C 1.695 178.264 176.600 -0.051 0.000 1.048 206 K CA 2.043 58.309 56.287 -0.035 0.000 0.930 206 K CB -0.187 32.300 32.500 -0.021 0.000 0.716 206 K HN 0.494 nan 8.250 nan 0.000 0.444 207 S N -0.479 115.181 115.700 -0.067 0.000 2.572 207 S HA 0.210 4.680 4.470 -0.000 0.000 0.228 207 S C 0.563 175.101 174.600 -0.104 0.000 0.963 207 S CA 0.144 58.299 58.200 -0.075 0.000 0.939 207 S CB 0.961 64.119 63.200 -0.069 0.000 0.804 207 S HN 0.622 nan 8.310 nan 0.000 0.480 208 G N 1.550 110.272 108.800 -0.130 0.000 2.221 208 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.265 208 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.265 208 G C -0.018 174.714 174.900 -0.280 0.000 1.041 208 G CA 0.099 45.083 45.100 -0.194 0.000 0.807 208 G HN 0.458 nan 8.290 nan 0.000 0.502 209 V N 0.844 120.612 119.914 -0.244 0.000 2.406 209 V HA 0.369 4.489 4.120 -0.000 0.000 0.272 209 V C 1.015 176.911 176.094 -0.330 0.000 1.043 209 V CA -0.875 61.262 62.300 -0.273 0.000 0.915 209 V CB 0.765 32.472 31.823 -0.194 0.000 0.988 209 V HN 0.457 nan 8.190 nan 0.000 0.466 210 H N 3.803 122.652 119.070 -0.368 0.000 2.822 210 H HA 0.451 5.006 4.556 -0.000 0.000 0.373 210 H C 0.218 175.178 175.328 -0.614 0.000 1.223 210 H CA 0.325 56.005 56.048 -0.614 0.000 1.436 210 H CB 0.497 29.458 29.762 -1.335 0.000 1.439 210 H HN 0.538 nan 8.280 nan 0.000 0.618 211 R N 0.660 120.967 120.500 -0.322 0.000 2.538 211 R HA 0.328 4.668 4.340 -0.000 0.000 0.292 211 R C -0.989 175.459 176.300 0.248 0.000 1.008 211 R CA -0.585 55.493 56.100 -0.036 0.000 0.896 211 R CB 2.213 32.589 30.300 0.127 0.000 1.187 211 R HN 0.523 nan 8.270 nan 0.000 0.440 212 T N 1.164 115.904 114.554 0.310 0.000 2.930 212 T HA 0.745 5.095 4.350 -0.000 0.000 0.290 212 T C -1.210 173.654 174.700 0.273 0.000 1.052 212 T CA -0.592 61.694 62.100 0.310 0.000 1.017 212 T CB 1.423 70.472 68.868 0.302 0.000 1.137 212 T HN 0.202 nan 8.240 nan 0.000 0.511 213 V N 2.971 122.993 119.914 0.181 0.000 2.777 213 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 213 V C -1.088 175.106 176.094 0.167 0.000 1.112 213 V CA -1.039 61.356 62.300 0.159 0.000 0.917 213 V CB 1.714 33.542 31.823 0.009 0.000 1.018 213 V HN 0.997 nan 8.190 nan 0.000 0.426 214 H N 2.738 121.899 119.070 0.152 0.000 2.975 214 H HA 0.647 5.202 4.556 -0.001 0.000 0.303 214 H C 0.329 175.723 175.328 0.110 0.000 1.023 214 H CA 1.117 57.292 56.048 0.211 0.000 1.473 214 H CB 0.848 30.775 29.762 0.276 0.000 1.498 214 H HN 1.010 nan 8.280 nan 0.000 0.549 215 A N 1.970 124.904 122.820 0.190 0.000 2.513 215 A HA 0.548 4.867 4.320 -0.000 0.000 0.296 215 A C 0.816 178.449 177.584 0.081 0.000 1.052 215 A CA -0.198 51.895 52.037 0.094 0.000 0.714 215 A CB 0.833 19.856 19.000 0.039 0.000 1.279 215 A HN 1.010 nan 8.150 nan 0.000 0.397 216 G N 1.071 109.905 108.800 0.057 0.000 2.157 216 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.239 216 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.239 216 G C 0.766 175.768 174.900 0.171 0.000 0.982 216 G CA 1.058 46.233 45.100 0.124 0.000 0.650 216 G HN 1.073 nan 8.290 nan 0.000 0.527 217 E N -0.729 119.489 120.200 0.029 0.000 2.028 217 E HA 0.165 4.515 4.350 -0.000 0.000 0.190 217 E C 1.946 178.628 176.600 0.138 0.000 0.984 217 E CA 1.663 58.018 56.400 -0.076 0.000 0.800 217 E CB 0.035 29.544 29.700 -0.319 0.000 0.758 217 E HN 0.538 nan 8.360 nan 0.000 0.448 218 V N -0.324 119.595 119.914 0.008 0.000 3.411 218 V HA 0.292 4.412 4.120 -0.000 0.000 0.287 218 V C 0.511 176.463 176.094 -0.238 0.000 1.543 218 V CA 0.358 62.624 62.300 -0.058 0.000 1.028 218 V CB 1.251 33.037 31.823 -0.062 0.000 0.840 218 V HN 0.298 nan 8.190 nan 0.000 0.435 219 G N 0.606 109.263 108.800 -0.238 0.000 2.462 219 G HA2 0.479 4.439 3.960 -0.000 0.000 0.319 219 G HA3 0.479 4.439 3.960 -0.000 0.000 0.319 219 G C 0.200 174.864 174.900 -0.393 0.000 1.171 219 G CA 0.466 45.427 45.100 -0.231 0.000 0.920 219 G HN 0.409 nan 8.290 nan 0.000 0.499 220 S N -0.198 115.351 115.700 -0.252 0.000 2.617 220 S HA 0.403 4.873 4.470 -0.000 0.000 0.259 220 S C 1.957 176.521 174.600 -0.060 0.000 1.301 220 S CA 0.409 58.485 58.200 -0.207 0.000 0.984 220 S CB 1.078 64.214 63.200 -0.106 0.000 0.954 220 S HN 1.432 nan 8.310 nan 0.000 0.572 221 A N 1.318 124.163 122.820 0.042 0.000 1.986 221 A HA -0.194 4.125 4.320 -0.000 0.000 0.220 221 A C 2.059 179.673 177.584 0.050 0.000 1.171 221 A CA 2.268 54.359 52.037 0.089 0.000 0.640 221 A CB -1.648 17.418 19.000 0.110 0.000 0.811 221 A HN 0.936 nan 8.150 nan 0.000 0.451 222 N N -0.023 118.687 118.700 0.016 0.000 2.223 222 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 222 N C 1.401 176.902 175.510 -0.015 0.000 1.016 222 N CA 1.692 54.743 53.050 0.002 0.000 0.863 222 N CB -0.317 38.163 38.487 -0.012 0.000 0.983 222 N HN 0.251 nan 8.380 nan 0.000 0.429 223 V N -0.576 119.320 119.914 -0.029 0.000 2.427 223 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 223 V C 2.299 178.380 176.094 -0.023 0.000 1.051 223 V CA 1.249 63.524 62.300 -0.042 0.000 1.048 223 V CB -0.764 31.021 31.823 -0.063 0.000 0.666 223 V HN 0.124 nan 8.190 nan 0.000 0.456 224 V N 0.521 120.444 119.914 0.015 0.000 2.343 224 V HA -0.310 3.809 4.120 -0.000 0.000 0.247 224 V C 2.509 178.615 176.094 0.019 0.000 1.051 224 V CA 2.550 64.870 62.300 0.034 0.000 1.036 224 V CB -0.770 31.111 31.823 0.096 0.000 0.654 224 V HN 0.612 nan 8.190 nan 0.000 0.451 225 K N 0.213 120.628 120.400 0.024 0.000 2.097 225 K HA -0.204 4.115 4.320 -0.000 0.000 0.205 225 K C 2.062 178.661 176.600 -0.003 0.000 1.050 225 K CA 1.701 58.000 56.287 0.020 0.000 0.938 225 K CB -0.127 32.389 32.500 0.026 0.000 0.718 225 K HN 0.577 nan 8.250 nan 0.000 0.442 226 E N 0.126 120.313 120.200 -0.021 0.000 2.110 226 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 226 E C 1.966 178.528 176.600 -0.062 0.000 0.988 226 E CA 0.996 57.372 56.400 -0.041 0.000 0.804 226 E CB -0.119 29.545 29.700 -0.061 0.000 0.745 226 E HN 0.451 nan 8.360 nan 0.000 0.458 227 A N 0.858 123.638 122.820 -0.068 0.000 1.902 227 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 227 A C 2.477 180.028 177.584 -0.056 0.000 1.181 227 A CA 1.299 53.280 52.037 -0.093 0.000 0.623 227 A CB -0.570 18.393 19.000 -0.062 0.000 0.818 227 A HN 0.124 nan 8.150 nan 0.000 0.443 228 V N 0.089 119.987 119.914 -0.026 0.000 2.346 228 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 228 V C 2.083 178.180 176.094 0.005 0.000 1.037 228 V CA 2.188 64.484 62.300 -0.006 0.000 1.029 228 V CB -0.656 31.166 31.823 -0.002 0.000 0.663 228 V HN 0.461 nan 8.190 nan 0.000 0.454 229 D N -0.498 119.903 120.400 0.001 0.000 2.183 229 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 229 D C 2.227 178.531 176.300 0.006 0.000 0.962 229 D CA 1.543 55.548 54.000 0.008 0.000 0.849 229 D CB -0.010 40.795 40.800 0.008 0.000 0.978 229 D HN 0.371 nan 8.370 nan 0.000 0.488 230 T N 0.006 114.555 114.554 -0.009 0.000 3.033 230 T HA 0.184 4.534 4.350 -0.000 0.000 0.248 230 T C 1.880 176.573 174.700 -0.011 0.000 1.040 230 T CA 0.078 62.174 62.100 -0.007 0.000 1.133 230 T CB 0.391 69.249 68.868 -0.017 0.000 0.895 230 T HN 0.029 nan 8.240 nan 0.000 0.465 231 L N 0.475 121.660 121.223 -0.063 0.000 2.558 231 L HA 0.200 4.540 4.340 -0.000 0.000 0.225 231 L C 0.268 177.177 176.870 0.065 0.000 1.128 231 L CA 0.049 54.836 54.840 -0.089 0.000 0.868 231 L CB -0.136 41.668 42.059 -0.425 0.000 1.006 231 L HN 0.080 nan 8.230 nan 0.000 0.454 232 K N -0.037 120.389 120.400 0.043 0.000 3.117 232 K HA -0.154 4.166 4.320 -0.000 0.000 0.269 232 K C 0.360 177.028 176.600 0.114 0.000 1.098 232 K CA 0.604 56.938 56.287 0.078 0.000 0.785 232 K CB -2.837 29.721 32.500 0.096 0.000 1.242 232 K HN 0.211 nan 8.250 nan 0.000 0.491 233 T N -0.181 114.430 114.554 0.094 0.000 2.813 233 T HA 0.182 4.532 4.350 -0.000 0.000 0.297 233 T C 1.387 176.162 174.700 0.125 0.000 1.036 233 T CA -0.037 62.150 62.100 0.146 0.000 1.044 233 T CB 0.573 69.501 68.868 0.101 0.000 0.993 233 T HN 0.308 nan 8.240 nan 0.000 0.535 234 E N 0.879 121.190 120.200 0.185 0.000 2.413 234 E HA 0.176 4.525 4.350 -0.000 0.000 0.203 234 E C 0.416 177.115 176.600 0.166 0.000 0.957 234 E CA 0.203 56.723 56.400 0.200 0.000 0.950 234 E CB 0.667 30.562 29.700 0.324 0.000 0.957 234 E HN 0.416 nan 8.360 nan 0.000 0.497 235 R N 0.289 120.897 120.500 0.180 0.000 2.836 235 R HA 0.565 4.905 4.340 -0.000 0.000 0.269 235 R C -1.094 175.216 176.300 0.016 0.000 1.010 235 R CA -0.764 55.384 56.100 0.079 0.000 0.930 235 R CB 1.717 32.061 30.300 0.074 0.000 1.218 235 R HN -0.115 nan 8.270 nan 0.000 0.473 236 L N 0.488 121.652 121.223 -0.098 0.000 2.333 236 L HA 0.457 4.797 4.340 -0.000 0.000 0.280 236 L C 0.533 177.381 176.870 -0.037 0.000 1.004 236 L CA -0.748 54.032 54.840 -0.100 0.000 0.820 236 L CB 2.133 44.034 42.059 -0.264 0.000 1.247 236 L HN 0.800 nan 8.230 nan 0.000 0.416 237 G N 1.624 110.414 108.800 -0.017 0.000 2.389 237 G HA2 0.311 4.271 3.960 -0.000 0.000 0.287 237 G HA3 0.311 4.271 3.960 -0.000 0.000 0.287 237 G C 0.395 175.199 174.900 -0.160 0.000 1.126 237 G CA 0.220 45.242 45.100 -0.131 0.000 1.073 237 G HN 0.955 nan 8.290 nan 0.000 0.429 238 H N 2.198 121.147 119.070 -0.201 0.000 4.642 238 H HA -0.329 4.227 4.556 -0.000 0.000 0.072 238 H C 2.224 177.339 175.328 -0.354 0.000 0.606 238 H CA 2.153 57.886 56.048 -0.524 0.000 1.026 238 H CB -1.444 27.736 29.762 -0.970 0.000 0.752 238 H HN 1.845 nan 8.280 nan 0.000 0.823 239 G N 0.604 109.366 108.800 -0.063 0.000 2.162 239 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.260 239 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.260 239 G C 0.581 175.689 174.900 0.347 0.000 0.976 239 G CA 1.233 46.484 45.100 0.252 0.000 0.655 239 G HN 0.529 nan 8.290 nan 0.000 0.533 240 Y N -0.171 120.357 120.300 0.380 0.000 2.207 240 Y HA -0.061 4.489 4.550 -0.000 0.000 0.287 240 Y C 2.422 178.337 175.900 0.025 0.000 1.156 240 Y CA 1.588 59.763 58.100 0.125 0.000 1.182 240 Y CB -0.769 37.616 38.460 -0.124 0.000 0.979 240 Y HN 0.539 nan 8.280 nan 0.000 0.521 241 H N -1.083 118.094 119.070 0.178 0.000 2.547 241 H HA 0.057 4.613 4.556 -0.001 0.000 0.274 241 H C 1.733 177.121 175.328 0.101 0.000 1.024 241 H CA 0.767 56.877 56.048 0.103 0.000 1.155 241 H CB -0.195 29.608 29.762 0.067 0.000 1.344 241 H HN 0.195 nan 8.280 nan 0.000 0.598 242 T N 0.341 115.063 114.554 0.280 0.000 2.833 242 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 242 T C 2.080 176.861 174.700 0.135 0.000 1.054 242 T CA 0.761 63.020 62.100 0.265 0.000 1.135 242 T CB -0.094 69.049 68.868 0.457 0.000 0.869 242 T HN 0.380 nan 8.240 nan 0.000 0.466 243 L N 1.392 122.600 121.223 -0.026 0.000 2.187 243 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 243 L C 2.641 179.459 176.870 -0.086 0.000 1.100 243 L CA 1.407 56.103 54.840 -0.239 0.000 0.765 243 L CB -0.716 41.139 42.059 -0.340 0.000 0.904 243 L HN 0.561 nan 8.230 nan 0.000 0.437 244 E N -0.720 119.485 120.200 0.009 0.000 2.511 244 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 244 E C 0.226 176.861 176.600 0.058 0.000 1.066 244 E CA 0.148 56.570 56.400 0.036 0.000 0.871 244 E CB -0.009 29.738 29.700 0.078 0.000 0.863 244 E HN 0.215 nan 8.360 nan 0.000 0.520 245 D N 0.577 121.027 120.400 0.082 0.000 2.440 245 D HA 0.112 4.752 4.640 -0.000 0.000 0.252 245 D C 0.163 176.541 176.300 0.130 0.000 1.180 245 D CA -0.398 53.660 54.000 0.096 0.000 0.894 245 D CB 1.633 42.493 40.800 0.101 0.000 1.111 245 D HN -0.165 nan 8.370 nan 0.000 0.544 246 T N 1.649 116.270 114.554 0.111 0.000 2.788 246 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 246 T C 1.690 176.489 174.700 0.165 0.000 1.044 246 T CA 1.372 63.563 62.100 0.152 0.000 1.139 246 T CB 0.149 69.081 68.868 0.106 0.000 0.867 246 T HN 0.377 nan 8.240 nan 0.000 0.454 247 T N 2.165 116.787 114.554 0.114 0.000 2.857 247 T HA 0.034 4.383 4.350 -0.000 0.000 0.266 247 T C 1.857 176.619 174.700 0.102 0.000 1.048 247 T CA 0.515 62.669 62.100 0.090 0.000 1.139 247 T CB -0.347 68.559 68.868 0.065 0.000 0.874 247 T HN 0.115 nan 8.240 nan 0.000 0.455 248 L N 0.672 121.969 121.223 0.124 0.000 2.012 248 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 248 L C 2.046 179.042 176.870 0.209 0.000 1.073 248 L CA 1.771 56.696 54.840 0.141 0.000 0.748 248 L CB -1.034 41.113 42.059 0.147 0.000 0.891 248 L HN 0.380 nan 8.230 nan 0.000 0.431 249 Y N 0.381 120.740 120.300 0.098 0.000 2.128 249 Y HA -0.320 4.229 4.550 -0.000 0.000 0.284 249 Y C 2.323 178.274 175.900 0.085 0.000 1.154 249 Y CA 2.254 60.419 58.100 0.109 0.000 1.149 249 Y CB -0.288 38.228 38.460 0.094 0.000 0.976 249 Y HN 0.431 nan 8.280 nan 0.000 0.505 250 N N -0.175 118.545 118.700 0.034 0.000 2.120 250 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 250 N C 1.989 177.458 175.510 -0.068 0.000 1.024 250 N CA 1.093 54.086 53.050 -0.094 0.000 0.852 250 N CB -0.284 38.201 38.487 -0.004 0.000 1.003 250 N HN 0.309 nan 8.380 nan 0.000 0.424 251 R N 1.390 121.892 120.500 0.003 0.000 2.115 251 R HA -0.051 4.289 4.340 -0.000 0.000 0.230 251 R C 1.759 178.064 176.300 0.009 0.000 1.111 251 R CA 0.903 57.009 56.100 0.010 0.000 0.976 251 R CB -0.154 30.165 30.300 0.032 0.000 0.870 251 R HN 0.264 nan 8.270 nan 0.000 0.445 252 L N 0.741 121.984 121.223 0.034 0.000 2.240 252 L HA -0.059 4.280 4.340 -0.000 0.000 0.211 252 L C 2.656 179.546 176.870 0.034 0.000 1.106 252 L CA 1.120 55.999 54.840 0.065 0.000 0.793 252 L CB -0.331 41.840 42.059 0.186 0.000 0.927 252 L HN 0.247 nan 8.230 nan 0.000 0.446 253 R N -0.034 120.411 120.500 -0.092 0.000 2.090 253 R HA -0.121 4.219 4.340 -0.000 0.000 0.228 253 R C 1.986 178.245 176.300 -0.068 0.000 1.110 253 R CA 1.048 57.068 56.100 -0.133 0.000 0.973 253 R CB -0.582 29.528 30.300 -0.316 0.000 0.869 253 R HN 0.275 nan 8.270 nan 0.000 0.440 254 Q N 0.877 120.641 119.800 -0.060 0.000 2.170 254 Q HA -0.167 4.172 4.340 -0.000 0.000 0.203 254 Q C 1.175 177.171 176.000 -0.007 0.000 0.976 254 Q CA 1.857 57.643 55.803 -0.029 0.000 0.858 254 Q CB 0.047 28.773 28.738 -0.020 0.000 0.907 254 Q HN 0.788 nan 8.270 nan 0.000 0.433 255 E N -0.226 119.975 120.200 0.002 0.000 2.437 255 E HA -0.017 4.333 4.350 -0.000 0.000 0.189 255 E C -0.037 176.577 176.600 0.022 0.000 1.054 255 E CA 0.084 56.492 56.400 0.014 0.000 0.874 255 E CB -0.197 29.513 29.700 0.016 0.000 1.011 255 E HN 0.113 nan 8.360 nan 0.000 0.474 256 N N 0.564 119.278 118.700 0.024 0.000 2.721 256 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 256 N C -0.431 175.110 175.510 0.051 0.000 1.072 256 N CA 0.806 53.881 53.050 0.042 0.000 0.710 256 N CB -1.280 37.233 38.487 0.043 0.000 0.993 256 N HN 0.525 nan 8.380 nan 0.000 0.547 257 M N 0.843 120.459 119.600 0.027 0.000 2.249 257 M HA 0.159 4.639 4.480 -0.000 0.000 0.340 257 M C 0.148 176.408 176.300 -0.067 0.000 1.166 257 M CA 0.062 55.328 55.300 -0.057 0.000 1.115 257 M CB 0.416 32.905 32.600 -0.185 0.000 1.606 257 M HN 0.283 nan 8.290 nan 0.000 0.448 258 H N 3.754 122.730 119.070 -0.157 0.000 2.562 258 H HA 0.431 4.987 4.556 -0.000 0.000 0.314 258 H C -1.673 173.528 175.328 -0.211 0.000 1.079 258 H CA -0.085 55.919 56.048 -0.074 0.000 1.349 258 H CB 0.307 30.020 29.762 -0.082 0.000 1.432 258 H HN 0.618 nan 8.280 nan 0.000 0.479 259 F N 3.247 122.893 119.950 -0.508 0.000 2.385 259 F HA 0.196 4.723 4.527 -0.000 0.000 0.360 259 F C 0.401 176.094 175.800 -0.178 0.000 1.122 259 F CA -0.657 57.193 58.000 -0.250 0.000 1.090 259 F CB 1.090 39.925 39.000 -0.275 0.000 1.150 259 F HN 0.572 nan 8.300 nan 0.000 0.472 260 E N 4.947 125.231 120.200 0.140 0.000 1.893 260 E HA 0.208 4.557 4.350 -0.000 0.000 0.269 260 E C -0.267 176.373 176.600 0.066 0.000 1.129 260 E CA -0.213 56.287 56.400 0.167 0.000 0.904 260 E CB 0.418 30.206 29.700 0.146 0.000 1.077 260 E HN 0.346 nan 8.360 nan 0.000 0.407 261 I N 1.589 122.312 120.570 0.255 0.000 2.499 261 I HA 0.160 4.330 4.170 -0.000 0.000 0.296 261 I C 0.165 176.409 176.117 0.211 0.000 0.992 261 I CA -0.763 60.744 61.300 0.346 0.000 1.297 261 I CB 1.370 39.610 38.000 0.400 0.000 1.410 261 I HN 0.520 nan 8.210 nan 0.000 0.507 262 C N 6.922 126.403 119.300 0.300 0.000 3.002 262 C HA 0.226 4.686 4.460 -0.000 0.000 0.248 262 C C -0.957 174.139 174.990 0.176 0.000 1.153 262 C CA -0.858 58.299 59.018 0.232 0.000 1.502 262 C CB 0.370 28.285 27.740 0.291 0.000 1.805 262 C HN 0.604 nan 8.230 nan 0.000 0.450 263 P HA -0.165 nan 4.420 nan 0.000 0.216 263 P C 1.784 179.082 177.300 -0.003 0.000 1.153 263 P CA 1.446 64.421 63.100 -0.208 0.000 0.848 263 P CB 0.105 31.521 31.700 -0.474 0.000 0.787 264 W N 0.976 122.220 121.300 -0.094 0.000 2.379 264 W HA -0.124 4.536 4.660 -0.001 0.000 0.307 264 W C 2.389 178.834 176.519 -0.123 0.000 1.200 264 W CA 1.524 58.861 57.345 -0.014 0.000 1.297 264 W CB -0.605 28.869 29.460 0.025 0.000 1.140 264 W HN -0.008 nan 8.180 nan 0.000 0.507 265 S N 0.807 116.300 115.700 -0.346 0.000 2.372 265 S HA -0.309 4.161 4.470 -0.000 0.000 0.227 265 S C 2.193 176.465 174.600 -0.547 0.000 1.044 265 S CA 3.073 60.729 58.200 -0.907 0.000 1.050 265 S CB -0.876 62.158 63.200 -0.276 0.000 0.901 265 S HN 0.457 nan 8.310 nan 0.000 0.447 266 S N -0.414 115.195 115.700 -0.151 0.000 2.382 266 S HA -0.181 4.288 4.470 -0.000 0.000 0.228 266 S C 1.802 176.398 174.600 -0.005 0.000 1.027 266 S CA 1.321 59.493 58.200 -0.047 0.000 0.991 266 S CB -1.076 62.102 63.200 -0.037 0.000 0.823 266 S HN 0.760 nan 8.310 nan 0.000 0.469 267 Y N 2.335 122.614 120.300 -0.035 0.000 2.145 267 Y HA -0.019 4.530 4.550 -0.001 0.000 0.286 267 Y C 2.038 177.747 175.900 -0.319 0.000 1.145 267 Y CA 1.779 59.852 58.100 -0.045 0.000 1.148 267 Y CB -0.392 38.114 38.460 0.077 0.000 0.981 267 Y HN 0.229 nan 8.280 nan 0.000 0.507 268 L N -0.190 120.482 121.223 -0.918 0.000 2.141 268 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 268 L C 2.514 179.094 176.870 -0.483 0.000 1.094 268 L CA 1.751 56.109 54.840 -0.803 0.000 0.763 268 L CB -1.016 40.694 42.059 -0.581 0.000 0.908 268 L HN 0.397 nan 8.230 nan 0.000 0.437 269 T N -3.480 110.819 114.554 -0.425 0.000 3.085 269 T HA 0.098 4.448 4.350 -0.000 0.000 0.263 269 T C 1.610 176.166 174.700 -0.241 0.000 1.127 269 T CA 0.581 62.522 62.100 -0.265 0.000 1.103 269 T CB 0.065 68.781 68.868 -0.252 0.000 0.921 269 T HN 0.501 nan 8.240 nan 0.000 0.510 270 G N 0.866 109.490 108.800 -0.293 0.000 2.184 270 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.264 270 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.264 270 G C 1.274 176.089 174.900 -0.141 0.000 0.975 270 G CA 0.520 45.478 45.100 -0.237 0.000 0.642 270 G HN 1.120 nan 8.290 nan 0.000 0.536 271 A N -0.766 121.992 122.820 -0.104 0.000 1.903 271 A HA 0.115 4.435 4.320 -0.000 0.000 0.219 271 A C 1.241 178.847 177.584 0.036 0.000 1.191 271 A CA 1.970 54.006 52.037 -0.002 0.000 0.638 271 A CB -0.295 18.739 19.000 0.057 0.000 0.823 271 A HN 1.621 nan 8.150 nan 0.000 0.451 272 W N 1.822 122.982 121.300 -0.233 0.000 2.417 272 W HA 0.554 5.214 4.660 -0.000 0.000 0.315 272 W C -0.615 175.797 176.519 -0.177 0.000 1.045 272 W CA -1.492 55.680 57.345 -0.289 0.000 1.221 272 W CB 0.638 29.857 29.460 -0.401 0.000 1.309 272 W HN 0.174 nan 8.180 nan 0.000 0.453 273 K N 6.940 127.006 120.400 -0.556 0.000 2.349 273 K HA 0.255 4.575 4.320 -0.000 0.000 0.288 273 K C -2.018 173.816 176.600 -1.277 0.000 1.058 273 K CA -1.126 54.728 56.287 -0.722 0.000 0.953 273 K CB 1.108 33.378 32.500 -0.382 0.000 0.997 273 K HN 0.191 nan 8.250 nan 0.000 0.477 274 P HA -0.205 nan 4.420 nan 0.000 0.223 274 P C 0.044 176.896 177.300 -0.747 0.000 1.144 274 P CA 1.152 63.477 63.100 -1.292 0.000 0.783 274 P CB 0.026 31.445 31.700 -0.468 0.000 0.771 275 D N -2.618 117.494 120.400 -0.481 0.000 2.328 275 D HA 0.036 4.676 4.640 -0.000 0.000 0.221 275 D C 0.198 176.409 176.300 -0.148 0.000 1.072 275 D CA 0.204 54.066 54.000 -0.229 0.000 0.850 275 D CB -0.283 40.417 40.800 -0.167 0.000 0.922 275 D HN -0.023 nan 8.370 nan 0.000 0.516 276 T N 0.636 115.082 114.554 -0.179 0.000 2.942 276 T HA 0.302 4.651 4.350 -0.000 0.000 0.289 276 T C -0.948 173.910 174.700 0.264 0.000 1.044 276 T CA -0.717 61.380 62.100 -0.006 0.000 1.023 276 T CB 1.712 70.519 68.868 -0.102 0.000 1.123 276 T HN 0.135 nan 8.240 nan 0.000 0.512 277 E N 1.585 121.885 120.200 0.167 0.000 2.606 277 E HA -0.008 4.342 4.350 -0.000 0.000 0.248 277 E C -0.339 176.311 176.600 0.083 0.000 1.005 277 E CA 0.270 56.742 56.400 0.119 0.000 0.946 277 E CB -0.297 29.392 29.700 -0.019 0.000 0.928 277 E HN 0.611 nan 8.360 nan 0.000 0.494 278 H N 2.986 121.959 119.070 -0.162 0.000 2.815 278 H HA 0.247 4.803 4.556 -0.001 0.000 0.350 278 H C 1.296 176.221 175.328 -0.671 0.000 1.080 278 H CA 0.607 56.135 56.048 -0.867 0.000 1.433 278 H CB 1.210 30.177 29.762 -1.325 0.000 1.432 278 H HN 0.696 nan 8.280 nan 0.000 0.592 279 A N 4.295 126.438 122.820 -1.128 0.000 2.032 279 A HA -0.186 4.133 4.320 -0.000 0.000 0.221 279 A C 2.339 179.328 177.584 -0.992 0.000 1.165 279 A CA 1.722 53.205 52.037 -0.923 0.000 0.645 279 A CB -0.813 17.592 19.000 -0.992 0.000 0.807 279 A HN 0.602 nan 8.150 nan 0.000 0.453 280 V N 0.174 119.794 119.914 -0.490 0.000 2.667 280 V HA -0.155 3.964 4.120 -0.000 0.000 0.252 280 V C 2.228 178.177 176.094 -0.242 0.000 1.065 280 V CA 1.849 63.851 62.300 -0.496 0.000 1.083 280 V CB -0.465 31.148 31.823 -0.351 0.000 0.692 280 V HN 0.674 nan 8.190 nan 0.000 0.468 281 I N 0.650 121.136 120.570 -0.139 0.000 2.286 281 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 281 I C 2.393 178.432 176.117 -0.130 0.000 1.115 281 I CA 2.439 63.705 61.300 -0.056 0.000 1.392 281 I CB -0.642 37.361 38.000 0.005 0.000 1.065 281 I HN 0.305 nan 8.210 nan 0.000 0.418 282 R N 0.378 120.754 120.500 -0.207 0.000 2.091 282 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 282 R C 1.914 178.247 176.300 0.054 0.000 1.136 282 R CA 1.966 57.996 56.100 -0.116 0.000 0.959 282 R CB -0.840 29.338 30.300 -0.203 0.000 0.856 282 R HN 0.406 nan 8.270 nan 0.000 0.437 283 F N 1.397 121.220 119.950 -0.211 0.000 2.102 283 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 283 F C 2.187 177.891 175.800 -0.160 0.000 1.105 283 F CA 1.490 59.338 58.000 -0.252 0.000 1.239 283 F CB -1.185 37.456 39.000 -0.598 0.000 0.991 283 F HN 0.173 nan 8.300 nan 0.000 0.474 284 K N 0.417 120.784 120.400 -0.054 0.000 2.020 284 K HA -0.238 4.082 4.320 -0.000 0.000 0.212 284 K C 1.815 178.387 176.600 -0.048 0.000 1.050 284 K CA 1.941 58.193 56.287 -0.059 0.000 0.929 284 K CB -0.198 32.061 32.500 -0.401 0.000 0.714 284 K HN 0.107 nan 8.250 nan 0.000 0.443 285 N N 1.225 119.894 118.700 -0.052 0.000 2.309 285 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 285 N C 0.660 176.175 175.510 0.008 0.000 1.018 285 N CA 1.154 54.182 53.050 -0.037 0.000 0.876 285 N CB -0.178 38.287 38.487 -0.036 0.000 0.972 285 N HN 0.298 nan 8.380 nan 0.000 0.434 286 D N 0.447 120.882 120.400 0.058 0.000 2.349 286 D HA -0.019 4.621 4.640 -0.000 0.000 0.224 286 D C 0.293 176.619 176.300 0.042 0.000 1.029 286 D CA 0.174 54.216 54.000 0.070 0.000 0.879 286 D CB 0.000 40.885 40.800 0.141 0.000 0.906 286 D HN -0.025 nan 8.370 nan 0.000 0.528 287 Q N -0.519 119.313 119.800 0.053 0.000 2.461 287 Q HA -0.161 4.179 4.340 -0.000 0.000 0.273 287 Q C -0.640 175.407 176.000 0.078 0.000 1.163 287 Q CA 0.120 55.958 55.803 0.059 0.000 0.929 287 Q CB -1.730 27.020 28.738 0.020 0.000 1.334 287 Q HN 0.128 nan 8.270 nan 0.000 0.499 288 V N 1.132 121.126 119.914 0.134 0.000 2.872 288 V HA 0.007 4.127 4.120 -0.000 0.000 0.307 288 V C 0.948 177.156 176.094 0.190 0.000 1.072 288 V CA 0.327 62.687 62.300 0.099 0.000 1.148 288 V CB 0.957 32.730 31.823 -0.084 0.000 0.954 288 V HN 0.504 nan 8.190 nan 0.000 0.490 289 N N 4.293 123.061 118.700 0.113 0.000 2.448 289 N HA 0.208 4.948 4.740 -0.000 0.000 0.250 289 N C -0.950 174.556 175.510 -0.005 0.000 1.136 289 N CA -0.090 53.010 53.050 0.083 0.000 0.953 289 N CB -0.303 38.257 38.487 0.121 0.000 1.251 289 N HN 0.588 nan 8.380 nan 0.000 0.502 290 Y N 0.049 120.282 120.300 -0.110 0.000 2.615 290 Y HA 0.717 5.267 4.550 -0.000 0.000 0.341 290 Y C -0.756 175.159 175.900 0.025 0.000 1.089 290 Y CA -1.372 56.580 58.100 -0.246 0.000 1.049 290 Y CB 0.517 38.989 38.460 0.020 0.000 1.296 290 Y HN 0.251 nan 8.280 nan 0.000 0.470 291 S N 1.875 117.663 115.700 0.148 0.000 2.638 291 S HA 0.790 5.260 4.470 -0.000 0.000 0.302 291 S C -1.657 173.114 174.600 0.286 0.000 1.096 291 S CA -0.796 57.551 58.200 0.245 0.000 0.953 291 S CB 1.941 65.373 63.200 0.386 0.000 1.107 291 S HN 0.606 nan 8.310 nan 0.000 0.503 292 L N 2.459 123.785 121.223 0.171 0.000 2.329 292 L HA 0.629 4.968 4.340 -0.000 0.000 0.279 292 L C -0.190 176.773 176.870 0.156 0.000 1.014 292 L CA -0.388 54.503 54.840 0.085 0.000 0.814 292 L CB 1.076 42.976 42.059 -0.265 0.000 1.257 292 L HN 0.813 nan 8.230 nan 0.000 0.424 293 N N 0.043 118.843 118.700 0.166 0.000 2.416 293 N HA 0.311 5.050 4.740 -0.000 0.000 0.276 293 N C 0.441 176.111 175.510 0.267 0.000 1.261 293 N CA -0.183 53.005 53.050 0.229 0.000 0.790 293 N CB 2.238 40.868 38.487 0.238 0.000 1.554 293 N HN 0.600 nan 8.380 nan 0.000 0.481 294 T N -2.845 111.903 114.554 0.323 0.000 3.014 294 T HA -0.037 4.313 4.350 -0.000 0.000 0.263 294 T C 0.729 175.746 174.700 0.529 0.000 1.078 294 T CA 1.302 63.639 62.100 0.395 0.000 1.135 294 T CB 0.148 69.235 68.868 0.365 0.000 0.895 294 T HN 0.597 nan 8.240 nan 0.000 0.480 295 D N 2.165 122.901 120.400 0.559 0.000 4.435 295 D HA -0.192 4.448 4.640 -0.000 0.000 0.221 295 D C -0.811 175.930 176.300 0.735 0.000 1.021 295 D CA 2.404 56.867 54.000 0.772 0.000 2.165 295 D CB -1.430 39.864 40.800 0.823 0.000 1.159 295 D HN 0.674 nan 8.370 nan 0.000 0.408 296 D N -0.224 120.572 120.400 0.660 0.000 2.429 296 D HA 0.234 4.874 4.640 -0.000 0.000 0.255 296 D C -1.923 174.476 176.300 0.164 0.000 1.257 296 D CA -0.782 53.382 54.000 0.273 0.000 0.890 296 D CB 1.960 42.672 40.800 -0.146 0.000 1.267 296 D HN 0.081 nan 8.370 nan 0.000 0.521 297 P HA -0.239 nan 4.420 nan 0.000 0.217 297 P C 1.571 178.925 177.300 0.090 0.000 1.148 297 P CA 0.618 63.851 63.100 0.222 0.000 0.834 297 P CB 0.565 32.374 31.700 0.181 0.000 0.783 298 L N -0.548 120.662 121.223 -0.023 0.000 2.005 298 L HA -0.068 4.271 4.340 -0.000 0.000 0.207 298 L C 2.541 179.290 176.870 -0.202 0.000 1.072 298 L CA 1.768 56.528 54.840 -0.133 0.000 0.744 298 L CB -1.232 40.691 42.059 -0.226 0.000 0.895 298 L HN -0.197 nan 8.230 nan 0.000 0.433 299 I N -1.290 119.069 120.570 -0.353 0.000 2.439 299 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 299 I C 1.226 177.155 176.117 -0.315 0.000 1.139 299 I CA 0.782 61.795 61.300 -0.479 0.000 1.438 299 I CB -0.093 37.425 38.000 -0.803 0.000 1.085 299 I HN 0.186 nan 8.210 nan 0.000 0.427 300 F N 0.876 120.931 119.950 0.175 0.000 2.727 300 F HA 0.198 4.725 4.527 -0.001 0.000 0.302 300 F C 0.917 176.956 175.800 0.398 0.000 1.097 300 F CA -0.563 57.610 58.000 0.289 0.000 1.330 300 F CB -0.626 38.594 39.000 0.367 0.000 1.084 300 F HN -0.126 nan 8.300 nan 0.000 0.578 301 K N 1.051 121.646 120.400 0.325 0.000 3.096 301 K HA -0.177 4.143 4.320 -0.000 0.000 0.266 301 K C 0.044 176.779 176.600 0.225 0.000 1.043 301 K CA 0.712 57.147 56.287 0.247 0.000 0.758 301 K CB -2.010 30.631 32.500 0.235 0.000 1.260 301 K HN 0.438 nan 8.250 nan 0.000 0.481 302 S N -1.374 114.469 115.700 0.238 0.000 2.667 302 S HA 0.752 5.222 4.470 -0.000 0.000 0.292 302 S C -0.003 174.657 174.600 0.100 0.000 1.126 302 S CA -0.179 58.112 58.200 0.151 0.000 0.881 302 S CB 2.667 66.046 63.200 0.299 0.000 1.132 302 S HN 0.278 nan 8.310 nan 0.000 0.492 303 T N -1.669 112.907 114.554 0.036 0.000 2.858 303 T HA 0.566 4.916 4.350 -0.000 0.000 0.285 303 T C 0.624 175.358 174.700 0.057 0.000 1.052 303 T CA -0.741 61.377 62.100 0.031 0.000 1.009 303 T CB 0.830 69.681 68.868 -0.028 0.000 1.241 303 T HN 0.547 nan 8.240 nan 0.000 0.542 304 L N 0.640 121.898 121.223 0.057 0.000 2.201 304 L HA 0.125 4.464 4.340 -0.000 0.000 0.212 304 L C 1.978 178.922 176.870 0.123 0.000 1.105 304 L CA 1.954 56.868 54.840 0.123 0.000 0.775 304 L CB -1.046 41.075 42.059 0.104 0.000 0.913 304 L HN 0.906 nan 8.230 nan 0.000 0.440 305 D N -1.498 118.888 120.400 -0.024 0.000 2.218 305 D HA -0.182 4.457 4.640 -0.000 0.000 0.204 305 D C 1.883 178.162 176.300 -0.034 0.000 0.976 305 D CA 1.478 55.443 54.000 -0.058 0.000 0.853 305 D CB 0.142 40.878 40.800 -0.106 0.000 0.939 305 D HN 0.377 nan 8.370 nan 0.000 0.481 306 T N 0.020 114.525 114.554 -0.082 0.000 2.665 306 T HA -0.171 4.178 4.350 -0.000 0.000 0.268 306 T C 1.395 175.998 174.700 -0.162 0.000 1.035 306 T CA 1.529 63.489 62.100 -0.232 0.000 1.151 306 T CB -0.311 68.326 68.868 -0.384 0.000 0.862 306 T HN 0.292 nan 8.240 nan 0.000 0.438 307 D N -0.144 120.259 120.400 0.006 0.000 2.149 307 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 307 D C 1.920 178.174 176.300 -0.076 0.000 0.972 307 D CA 1.003 55.005 54.000 0.002 0.000 0.835 307 D CB -0.153 40.679 40.800 0.053 0.000 0.966 307 D HN 0.425 nan 8.370 nan 0.000 0.476 308 Y N 1.657 121.854 120.300 -0.171 0.000 2.293 308 Y HA -0.118 4.431 4.550 -0.000 0.000 0.291 308 Y C 2.674 178.503 175.900 -0.118 0.000 1.137 308 Y CA 0.782 58.736 58.100 -0.243 0.000 1.202 308 Y CB -0.117 38.083 38.460 -0.434 0.000 0.990 308 Y HN -0.082 nan 8.280 nan 0.000 0.537 309 Q N -0.400 119.423 119.800 0.039 0.000 2.119 309 Q HA -0.218 4.121 4.340 -0.000 0.000 0.201 309 Q C 2.414 178.387 176.000 -0.046 0.000 0.972 309 Q CA 1.403 57.205 55.803 -0.002 0.000 0.847 309 Q CB -0.469 28.228 28.738 -0.069 0.000 0.903 309 Q HN 0.589 nan 8.270 nan 0.000 0.433 310 M N 0.814 120.351 119.600 -0.105 0.000 2.086 310 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 310 M C 2.121 178.305 176.300 -0.194 0.000 1.067 310 M CA 2.182 57.408 55.300 -0.124 0.000 1.116 310 M CB -0.193 32.355 32.600 -0.086 0.000 1.348 310 M HN 0.285 nan 8.290 nan 0.000 0.407 311 T N -1.777 112.595 114.554 -0.303 0.000 2.857 311 T HA -0.099 4.250 4.350 -0.000 0.000 0.266 311 T C 1.930 176.486 174.700 -0.240 0.000 1.048 311 T CA 1.005 62.764 62.100 -0.569 0.000 1.139 311 T CB -0.378 67.782 68.868 -1.181 0.000 0.874 311 T HN 0.363 nan 8.240 nan 0.000 0.455 312 K N 1.064 121.503 120.400 0.066 0.000 1.991 312 K HA -0.116 4.203 4.320 -0.000 0.000 0.212 312 K C 2.194 178.839 176.600 0.075 0.000 1.049 312 K CA 1.333 57.723 56.287 0.171 0.000 0.932 312 K CB -0.092 32.595 32.500 0.311 0.000 0.717 312 K HN 0.183 nan 8.250 nan 0.000 0.441 313 K N 0.759 121.182 120.400 0.039 0.000 2.217 313 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 313 K C 1.374 177.976 176.600 0.002 0.000 1.051 313 K CA 1.141 57.438 56.287 0.017 0.000 0.952 313 K CB -0.094 32.407 32.500 0.001 0.000 0.736 313 K HN 0.239 nan 8.250 nan 0.000 0.453 314 D N -0.941 119.444 120.400 -0.026 0.000 2.417 314 D HA 0.176 4.815 4.640 -0.000 0.000 0.207 314 D C 0.927 177.224 176.300 -0.005 0.000 1.075 314 D CA 0.370 54.360 54.000 -0.015 0.000 0.851 314 D CB 0.491 41.280 40.800 -0.019 0.000 0.976 314 D HN 0.123 nan 8.370 nan 0.000 0.505 315 M N -1.457 118.137 119.600 -0.009 0.000 2.327 315 M HA 0.280 4.760 4.480 -0.000 0.000 0.365 315 M C 0.748 177.157 176.300 0.181 0.000 0.992 315 M CA 0.029 55.363 55.300 0.057 0.000 0.985 315 M CB 2.294 34.897 32.600 0.005 0.000 1.673 315 M HN -0.032 nan 8.290 nan 0.000 0.586 316 G N 1.225 110.100 108.800 0.125 0.000 2.136 316 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 316 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 316 G C -0.283 174.677 174.900 0.101 0.000 0.989 316 G CA -0.327 44.828 45.100 0.092 0.000 0.682 316 G HN 0.340 nan 8.290 nan 0.000 0.522 317 F N 2.072 121.910 119.950 -0.187 0.000 2.399 317 F HA 0.574 5.100 4.527 -0.001 0.000 0.342 317 F C 1.443 176.922 175.800 -0.536 0.000 1.106 317 F CA 0.046 57.812 58.000 -0.391 0.000 1.196 317 F CB 1.249 39.922 39.000 -0.545 0.000 1.163 317 F HN 0.236 nan 8.300 nan 0.000 0.547 318 T N -1.064 113.230 114.554 -0.434 0.000 2.923 318 T HA 0.276 4.626 4.350 -0.000 0.000 0.281 318 T C 1.046 175.486 174.700 -0.434 0.000 0.995 318 T CA -0.684 61.224 62.100 -0.320 0.000 0.985 318 T CB 1.313 70.057 68.868 -0.208 0.000 1.114 318 T HN 0.698 nan 8.240 nan 0.000 0.548 319 E N 0.212 120.355 120.200 -0.094 0.000 2.058 319 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 319 E C 1.766 178.347 176.600 -0.031 0.000 0.997 319 E CA 1.628 58.075 56.400 0.079 0.000 0.801 319 E CB -0.075 29.750 29.700 0.208 0.000 0.746 319 E HN 0.764 nan 8.360 nan 0.000 0.450 320 E N 0.415 120.572 120.200 -0.073 0.000 2.110 320 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 320 E C 1.840 178.359 176.600 -0.135 0.000 0.988 320 E CA 1.397 57.755 56.400 -0.070 0.000 0.804 320 E CB -0.093 29.575 29.700 -0.053 0.000 0.745 320 E HN 0.203 nan 8.360 nan 0.000 0.458 321 E N 0.099 120.144 120.200 -0.258 0.000 2.072 321 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 321 E C 1.537 178.022 176.600 -0.192 0.000 0.982 321 E CA 1.008 57.240 56.400 -0.281 0.000 0.803 321 E CB -0.357 29.057 29.700 -0.476 0.000 0.755 321 E HN 0.348 nan 8.360 nan 0.000 0.453 322 F N 1.059 120.871 119.950 -0.230 0.000 2.091 322 F HA -0.234 4.293 4.527 -0.001 0.000 0.299 322 F C 2.263 177.728 175.800 -0.558 0.000 1.103 322 F CA 1.258 58.950 58.000 -0.513 0.000 1.228 322 F CB -0.158 38.131 39.000 -1.184 0.000 0.984 322 F HN 0.006 nan 8.300 nan 0.000 0.477 323 K N 0.071 120.317 120.400 -0.256 0.000 2.057 323 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 323 K C 2.100 178.750 176.600 0.084 0.000 1.049 323 K CA 1.257 57.428 56.287 -0.193 0.000 0.931 323 K CB -0.346 32.036 32.500 -0.197 0.000 0.714 323 K HN 0.171 nan 8.250 nan 0.000 0.440 324 R N 1.740 122.253 120.500 0.022 0.000 2.096 324 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 324 R C 2.416 178.727 176.300 0.018 0.000 1.139 324 R CA 1.665 57.789 56.100 0.040 0.000 0.952 324 R CB -0.334 29.953 30.300 -0.021 0.000 0.854 324 R HN 0.326 nan 8.270 nan 0.000 0.436 325 L N -0.793 120.395 121.223 -0.058 0.000 2.313 325 L HA -0.014 4.326 4.340 -0.000 0.000 0.214 325 L C 1.212 178.096 176.870 0.023 0.000 1.119 325 L CA 1.416 56.162 54.840 -0.157 0.000 0.809 325 L CB -0.637 41.206 42.059 -0.361 0.000 0.933 325 L HN 0.169 nan 8.230 nan 0.000 0.449 326 N N 1.089 119.877 118.700 0.146 0.000 2.188 326 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 326 N C 1.904 177.530 175.510 0.194 0.000 1.018 326 N CA 1.343 54.545 53.050 0.253 0.000 0.858 326 N CB 0.113 38.878 38.487 0.463 0.000 0.989 326 N HN 0.390 nan 8.380 nan 0.000 0.426 327 I N 1.647 122.344 120.570 0.212 0.000 2.353 327 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 327 I C 1.662 177.812 176.117 0.055 0.000 1.119 327 I CA 0.833 62.194 61.300 0.101 0.000 1.417 327 I CB -0.954 37.148 38.000 0.171 0.000 1.078 327 I HN 0.075 nan 8.210 nan 0.000 0.421 328 N N 1.395 120.138 118.700 0.072 0.000 2.223 328 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 328 N C 1.930 177.482 175.510 0.070 0.000 1.016 328 N CA 1.461 54.556 53.050 0.074 0.000 0.863 328 N CB -0.072 38.455 38.487 0.066 0.000 0.983 328 N HN 0.336 nan 8.380 nan 0.000 0.429 329 A N 0.844 123.711 122.820 0.078 0.000 1.898 329 A HA 0.044 4.363 4.320 -0.000 0.000 0.216 329 A C 2.351 179.869 177.584 -0.110 0.000 1.181 329 A CA 1.777 53.802 52.037 -0.021 0.000 0.620 329 A CB -0.712 18.341 19.000 0.089 0.000 0.819 329 A HN 0.300 nan 8.150 nan 0.000 0.442 330 A N -0.029 122.756 122.820 -0.059 0.000 1.902 330 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 330 A C 2.067 179.556 177.584 -0.158 0.000 1.181 330 A CA 1.737 53.698 52.037 -0.127 0.000 0.623 330 A CB -0.419 18.500 19.000 -0.135 0.000 0.818 330 A HN 0.539 nan 8.150 nan 0.000 0.443 331 K N -0.031 120.307 120.400 -0.103 0.000 2.209 331 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 331 K C 1.488 178.017 176.600 -0.119 0.000 1.048 331 K CA 1.351 57.592 56.287 -0.077 0.000 0.940 331 K CB -0.063 32.431 32.500 -0.010 0.000 0.729 331 K HN 0.370 nan 8.250 nan 0.000 0.451 332 S N 0.884 116.457 115.700 -0.212 0.000 2.556 332 S HA 0.021 4.490 4.470 -0.000 0.000 0.216 332 S C 0.337 174.630 174.600 -0.512 0.000 0.970 332 S CA -0.305 57.692 58.200 -0.340 0.000 0.912 332 S CB 0.212 63.063 63.200 -0.582 0.000 0.790 332 S HN 0.348 nan 8.310 nan 0.000 0.504 333 S N 1.093 116.562 115.700 -0.386 0.000 2.569 333 S HA 0.153 4.622 4.470 -0.000 0.000 0.274 333 S C 0.061 174.465 174.600 -0.327 0.000 1.353 333 S CA -0.158 57.821 58.200 -0.368 0.000 1.023 333 S CB -0.090 62.934 63.200 -0.292 0.000 0.876 333 S HN 0.220 nan 8.310 nan 0.000 0.540 334 F N 0.574 120.400 119.950 -0.208 0.000 2.713 334 F HA 0.401 4.928 4.527 -0.001 0.000 0.294 334 F C 0.351 176.081 175.800 -0.117 0.000 1.152 334 F CA -0.931 56.819 58.000 -0.417 0.000 1.385 334 F CB -0.574 38.232 39.000 -0.324 0.000 0.981 334 F HN 0.265 nan 8.300 nan 0.000 0.514 335 L N 1.104 122.348 121.223 0.035 0.000 2.456 335 L HA 0.344 4.683 4.340 -0.000 0.000 0.257 335 L C -1.769 175.142 176.870 0.069 0.000 1.162 335 L CA -2.386 52.470 54.840 0.027 0.000 0.808 335 L CB -0.079 41.887 42.059 -0.154 0.000 1.136 335 L HN -0.062 nan 8.230 nan 0.000 0.466 336 P HA -0.016 nan 4.420 nan 0.000 0.267 336 P C 0.556 177.871 177.300 0.025 0.000 1.201 336 P CA -0.057 63.081 63.100 0.062 0.000 0.775 336 P CB 0.582 32.308 31.700 0.043 0.000 0.854 337 E N 2.211 122.433 120.200 0.035 0.000 2.136 337 E HA -0.286 4.064 4.350 -0.000 0.000 0.202 337 E C 1.304 177.903 176.600 -0.002 0.000 1.019 337 E CA 2.204 58.614 56.400 0.017 0.000 0.819 337 E CB -0.563 29.152 29.700 0.025 0.000 0.739 337 E HN 0.546 nan 8.360 nan 0.000 0.458 338 D N 0.002 120.403 120.400 0.001 0.000 2.117 338 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 338 D C 1.534 177.820 176.300 -0.023 0.000 0.987 338 D CA 1.274 55.270 54.000 -0.007 0.000 0.829 338 D CB -0.700 40.100 40.800 0.000 0.000 0.961 338 D HN 0.403 nan 8.370 nan 0.000 0.460 339 E N 0.544 120.726 120.200 -0.031 0.000 2.204 339 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 339 E C 2.092 178.622 176.600 -0.117 0.000 0.989 339 E CA 0.553 56.917 56.400 -0.060 0.000 0.824 339 E CB 0.015 29.689 29.700 -0.043 0.000 0.756 339 E HN 0.338 nan 8.360 nan 0.000 0.477 340 K N 1.763 122.093 120.400 -0.116 0.000 2.001 340 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 340 K C 2.080 178.612 176.600 -0.113 0.000 1.048 340 K CA 1.238 57.437 56.287 -0.147 0.000 0.932 340 K CB 0.067 32.500 32.500 -0.112 0.000 0.715 340 K HN -0.153 nan 8.250 nan 0.000 0.437 341 K N 0.805 121.169 120.400 -0.062 0.000 2.103 341 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 341 K C 1.868 178.441 176.600 -0.044 0.000 1.048 341 K CA 1.933 58.200 56.287 -0.033 0.000 0.930 341 K CB 0.078 32.575 32.500 -0.005 0.000 0.716 341 K HN 0.273 nan 8.250 nan 0.000 0.444 342 E N 0.172 120.338 120.200 -0.056 0.000 2.077 342 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 342 E C 1.910 178.454 176.600 -0.094 0.000 0.989 342 E CA 1.027 57.391 56.400 -0.059 0.000 0.800 342 E CB -0.105 29.570 29.700 -0.043 0.000 0.746 342 E HN 0.135 nan 8.360 nan 0.000 0.452 343 L N 1.219 122.361 121.223 -0.135 0.000 2.012 343 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 343 L C 2.034 178.770 176.870 -0.223 0.000 1.073 343 L CA 1.649 56.385 54.840 -0.173 0.000 0.748 343 L CB -0.362 41.551 42.059 -0.243 0.000 0.891 343 L HN 0.125 nan 8.230 nan 0.000 0.431 344 L N -0.943 120.135 121.223 -0.243 0.000 2.056 344 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 344 L C 2.335 178.932 176.870 -0.455 0.000 1.078 344 L CA 1.519 56.098 54.840 -0.434 0.000 0.749 344 L CB -1.067 40.794 42.059 -0.330 0.000 0.901 344 L HN 0.322 nan 8.230 nan 0.000 0.433 345 D N 0.725 121.040 120.400 -0.142 0.000 2.133 345 D HA -0.249 4.390 4.640 -0.000 0.000 0.195 345 D C 2.100 178.356 176.300 -0.074 0.000 0.997 345 D CA 1.287 55.281 54.000 -0.010 0.000 0.840 345 D CB 0.034 40.844 40.800 0.017 0.000 0.947 345 D HN 0.135 nan 8.370 nan 0.000 0.452 346 L N -0.099 121.043 121.223 -0.134 0.000 1.970 346 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 346 L C 2.101 178.833 176.870 -0.229 0.000 1.071 346 L CA 1.516 56.271 54.840 -0.142 0.000 0.751 346 L CB -0.804 41.182 42.059 -0.123 0.000 0.889 346 L HN 0.110 nan 8.230 nan 0.000 0.432 347 L N -0.927 120.077 121.223 -0.366 0.000 1.990 347 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 347 L C 2.681 179.173 176.870 -0.630 0.000 1.072 347 L CA 1.965 56.407 54.840 -0.664 0.000 0.755 347 L CB -2.090 39.534 42.059 -0.724 0.000 0.889 347 L HN 0.314 nan 8.230 nan 0.000 0.432 348 Y N 0.323 120.469 120.300 -0.256 0.000 2.207 348 Y HA -0.251 4.299 4.550 -0.001 0.000 0.287 348 Y C 2.558 178.422 175.900 -0.059 0.000 1.156 348 Y CA 1.155 59.194 58.100 -0.102 0.000 1.182 348 Y CB -0.792 37.651 38.460 -0.029 0.000 0.979 348 Y HN 0.166 nan 8.280 nan 0.000 0.521 349 K N 0.017 120.459 120.400 0.070 0.000 2.009 349 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 349 K C 2.440 179.053 176.600 0.022 0.000 1.049 349 K CA 1.437 57.748 56.287 0.040 0.000 0.929 349 K CB -0.676 31.832 32.500 0.013 0.000 0.714 349 K HN 0.235 nan 8.250 nan 0.000 0.440 350 A N 0.436 123.222 122.820 -0.058 0.000 1.986 350 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 350 A C 1.760 179.451 177.584 0.179 0.000 1.171 350 A CA 1.411 53.448 52.037 0.000 0.000 0.640 350 A CB -0.981 17.974 19.000 -0.075 0.000 0.811 350 A HN 0.484 nan 8.150 nan 0.000 0.451 351 Y N -1.280 119.064 120.300 0.073 0.000 2.529 351 Y HA 0.113 4.663 4.550 -0.000 0.000 0.290 351 Y C 1.215 177.175 175.900 0.101 0.000 1.177 351 Y CA -0.510 57.654 58.100 0.107 0.000 1.305 351 Y CB 0.064 38.631 38.460 0.179 0.000 1.047 351 Y HN 0.223 nan 8.280 nan 0.000 0.522 352 R N 0.000 120.626 120.500 0.210 0.000 2.786 352 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 352 R CA 0.000 56.185 56.100 0.142 0.000 0.921 352 R CB 0.000 30.369 30.300 0.115 0.000 0.687 352 R HN 0.000 nan 8.270 nan 0.000 0.535