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 3nxq_1_A DATA FIRST_RESID 1 DATA SEQUENCE LDPGLQPGQF SADEAGAQLF AQSYQSSAEQ VLFQSVAASW AHDTNITAEN DATA SEQUENCE ARRQEEAALL SQEFAEAWGQ KAKELYEPIW QQFTDPQLRR IIGAVRTLGS DATA SEQUENCE ANLPLAKRQQ YNALLSQMSR IYSTAKVcLX XXTATcWSLD PDLTNILASS DATA SEQUENCE RSYAMLLFAW EGWHNAAGIP LKPLYEDFTA LSNEAYKQDG FTDTGAYWRS DATA SEQUENCE WYNSPTFEDD LEHLYQQLEP LYLNLHAFVR RALHRRYGDR YINLRGPIPA DATA SEQUENCE HLLGDMWAQS WENIYDMVVP FPDKPNLDVT STMLQQGWQA THMFRVAEEF DATA SEQUENCE FTSLELSPMP PEFWEGSMLE KPADGREVVc HASAWDFYNR KDFRIKQcTR DATA SEQUENCE VTMDQLSTVH HEMGHIQYYL QYKDLPVSLR RGANPGFHEA IGDVLALSVS DATA SEQUENCE TPEHLHKIGL LDRVTNDTES DINYLLKMAL EKIAFLPFGY LVDQWRWGVF DATA SEQUENCE SGRTPPSRYN FDWWYLRTKY QGICPPVTRN ETHFDAGAKF HVPNVTPYIR DATA SEQUENCE YFVSFVLQFQ FHEALcKEAG YEGPLHQcDI YRSTKAGAKL RKVLRAGSSR DATA SEQUENCE PWQEVLKDMV GLDALDAQPL LKYFQLVTQW LQEQNQQNGE VLGWPEYQWH DATA SEQUENCE PPLPDNYPEG 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.929 176.870 0.099 0.000 1.165 1 L CA 0.000 54.907 54.840 0.112 0.000 0.813 1 L CB 0.000 42.146 42.059 0.145 0.000 0.961 2 D N 5.678 126.142 120.400 0.107 0.000 2.488 2 D HA 0.099 4.621 4.640 -0.197 0.000 0.238 2 D C -1.706 174.652 176.300 0.096 0.000 1.138 2 D CA -0.828 53.225 54.000 0.089 0.000 0.873 2 D CB 1.892 42.744 40.800 0.085 0.000 1.183 2 D HN 0.403 nan 8.370 nan 0.000 0.458 3 P HA -0.142 nan 4.420 nan 0.000 0.218 3 P C 1.200 178.551 177.300 0.085 0.000 1.154 3 P CA 1.431 64.568 63.100 0.061 0.000 0.872 3 P CB 0.056 31.781 31.700 0.042 0.000 0.790 4 G N -1.167 107.689 108.800 0.094 0.000 2.509 4 G HA2 -0.155 3.687 3.960 -0.197 0.000 0.218 4 G HA3 -0.155 3.687 3.960 -0.197 0.000 0.218 4 G C 1.174 176.186 174.900 0.186 0.000 1.124 4 G CA 0.362 45.530 45.100 0.114 0.000 0.776 4 G HN 0.279 nan 8.290 nan 0.000 0.547 5 L N -0.419 120.943 121.223 0.231 0.000 2.640 5 L HA 0.264 4.486 4.340 -0.197 0.000 0.230 5 L C 0.875 178.069 176.870 0.540 0.000 1.123 5 L CA -0.145 54.938 54.840 0.405 0.000 0.900 5 L CB 0.208 42.486 42.059 0.365 0.000 1.146 5 L HN 0.172 nan 8.230 nan 0.000 0.484 6 Q N 1.787 121.746 119.800 0.265 0.000 2.259 6 Q HA 0.302 4.524 4.340 -0.197 0.000 0.246 6 Q C -2.186 173.718 176.000 -0.160 0.000 0.920 6 Q CA -2.014 53.805 55.803 0.027 0.000 0.895 6 Q CB 0.837 29.563 28.738 -0.021 0.000 1.220 6 Q HN -0.074 nan 8.270 nan 0.000 0.439 7 P HA 0.067 nan 4.420 nan 0.000 0.275 7 P C -0.397 176.727 177.300 -0.294 0.000 1.227 7 P CA 0.006 62.550 63.100 -0.925 0.000 0.781 7 P CB 1.026 31.877 31.700 -1.415 0.000 0.906 8 G N 2.094 110.819 108.800 -0.125 0.000 2.714 8 G HA2 0.222 4.065 3.960 -0.197 0.000 0.197 8 G HA3 0.222 4.065 3.960 -0.197 0.000 0.197 8 G C -0.419 174.261 174.900 -0.367 0.000 1.449 8 G CA -0.094 44.867 45.100 -0.231 0.000 1.065 8 G HN 0.438 nan 8.290 nan 0.000 0.575 9 Q N -0.834 118.629 119.800 -0.562 0.000 2.226 9 Q HA 0.665 4.888 4.340 -0.197 0.000 0.256 9 Q C -1.497 173.966 176.000 -0.895 0.000 0.962 9 Q CA -0.306 55.211 55.803 -0.476 0.000 0.887 9 Q CB 1.703 30.302 28.738 -0.231 0.000 1.282 9 Q HN 0.345 nan 8.270 nan 0.000 0.449 10 F N -0.934 119.076 119.950 0.100 0.000 2.654 10 F HA 0.283 4.692 4.527 -0.196 0.000 0.308 10 F C 0.217 176.082 175.800 0.107 0.000 1.108 10 F CA -1.044 57.051 58.000 0.158 0.000 0.957 10 F CB 1.419 40.608 39.000 0.316 0.000 1.309 10 F HN 0.390 nan 8.300 nan 0.000 0.446 11 S N 0.736 116.617 115.700 0.302 0.000 2.576 11 S HA 0.571 4.923 4.470 -0.197 0.000 0.276 11 S C 0.253 175.000 174.600 0.246 0.000 1.339 11 S CA -0.330 57.988 58.200 0.196 0.000 1.039 11 S CB 1.414 64.706 63.200 0.153 0.000 0.902 11 S HN 0.958 nan 8.310 nan 0.000 0.516 12 A N 2.348 125.256 122.820 0.146 0.000 3.074 12 A HA 0.455 4.657 4.320 -0.197 0.000 0.251 12 A C -0.062 177.693 177.584 0.284 0.000 1.695 12 A CA -0.492 51.629 52.037 0.141 0.000 1.343 12 A CB -1.456 17.548 19.000 0.007 0.000 1.078 12 A HN 0.938 nan 8.150 nan 0.000 0.644 13 D N -2.722 117.901 120.400 0.372 0.000 2.626 13 D HA 0.174 4.696 4.640 -0.197 0.000 0.278 13 D C 0.584 176.918 176.300 0.057 0.000 1.211 13 D CA -0.513 53.640 54.000 0.254 0.000 0.903 13 D CB 0.159 41.040 40.800 0.135 0.000 1.408 13 D HN 0.020 nan 8.370 nan 0.000 0.454 14 E N -0.255 119.814 120.200 -0.218 0.000 2.085 14 E HA -0.248 3.984 4.350 -0.197 0.000 0.194 14 E C 1.877 178.226 176.600 -0.419 0.000 0.994 14 E CA 1.758 57.696 56.400 -0.771 0.000 0.801 14 E CB -0.262 29.036 29.700 -0.670 0.000 0.743 14 E HN 0.492 nan 8.360 nan 0.000 0.453 15 A N 0.460 123.179 122.820 -0.169 0.000 1.902 15 A HA -0.097 4.106 4.320 -0.197 0.000 0.217 15 A C 2.415 179.999 177.584 0.000 0.000 1.181 15 A CA 1.713 53.708 52.037 -0.070 0.000 0.623 15 A CB -1.147 17.848 19.000 -0.010 0.000 0.818 15 A HN 0.456 nan 8.150 nan 0.000 0.443 16 G N -0.718 108.129 108.800 0.078 0.000 2.408 16 G HA2 0.069 3.911 3.960 -0.197 0.000 0.217 16 G HA3 0.069 3.911 3.960 -0.197 0.000 0.217 16 G C 1.687 176.700 174.900 0.187 0.000 1.150 16 G CA 1.248 46.490 45.100 0.238 0.000 0.776 16 G HN 0.775 nan 8.290 nan 0.000 0.542 17 A N 0.163 122.914 122.820 -0.115 0.000 1.933 17 A HA -0.066 4.137 4.320 -0.197 0.000 0.218 17 A C 2.371 179.835 177.584 -0.201 0.000 1.175 17 A CA 1.743 53.485 52.037 -0.492 0.000 0.628 17 A CB -0.293 18.108 19.000 -0.998 0.000 0.814 17 A HN 0.329 nan 8.150 nan 0.000 0.444 18 Q N -0.336 119.365 119.800 -0.165 0.000 2.119 18 Q HA -0.077 4.145 4.340 -0.197 0.000 0.201 18 Q C 2.149 178.143 176.000 -0.011 0.000 0.972 18 Q CA 1.249 57.002 55.803 -0.083 0.000 0.847 18 Q CB -0.366 28.325 28.738 -0.077 0.000 0.903 18 Q HN 0.738 nan 8.270 nan 0.000 0.433 19 L N -0.608 120.644 121.223 0.048 0.000 2.109 19 L HA -0.114 4.108 4.340 -0.197 0.000 0.207 19 L C 2.302 179.132 176.870 -0.066 0.000 1.086 19 L CA 0.648 55.562 54.840 0.124 0.000 0.760 19 L CB -0.499 41.754 42.059 0.323 0.000 0.910 19 L HN 0.093 nan 8.230 nan 0.000 0.437 20 F N 1.280 120.925 119.950 -0.508 0.000 2.069 20 F HA -0.287 4.122 4.527 -0.197 0.000 0.298 20 F C 2.491 178.128 175.800 -0.272 0.000 1.113 20 F CA 1.574 59.048 58.000 -0.877 0.000 1.214 20 F CB -0.274 38.440 39.000 -0.476 0.000 0.978 20 F HN -0.005 nan 8.300 nan 0.000 0.474 21 A N -0.260 122.530 122.820 -0.049 0.000 1.940 21 A HA -0.270 3.932 4.320 -0.197 0.000 0.219 21 A C 2.245 179.780 177.584 -0.083 0.000 1.176 21 A CA 1.871 53.873 52.037 -0.059 0.000 0.631 21 A CB -1.057 17.948 19.000 0.009 0.000 0.814 21 A HN 0.647 nan 8.150 nan 0.000 0.446 22 Q N -0.814 118.948 119.800 -0.063 0.000 2.046 22 Q HA -0.149 4.073 4.340 -0.197 0.000 0.200 22 Q C 2.405 178.375 176.000 -0.051 0.000 0.975 22 Q CA 1.736 57.519 55.803 -0.033 0.000 0.836 22 Q CB -0.188 28.559 28.738 0.015 0.000 0.896 22 Q HN 0.640 nan 8.270 nan 0.000 0.428 23 S N -0.711 114.973 115.700 -0.027 0.000 2.368 23 S HA -0.188 4.164 4.470 -0.197 0.000 0.224 23 S C 1.768 176.232 174.600 -0.227 0.000 1.029 23 S CA 1.100 59.333 58.200 0.054 0.000 0.988 23 S CB -0.480 62.954 63.200 0.389 0.000 0.838 23 S HN 0.608 nan 8.310 nan 0.000 0.462 24 Y N 1.946 121.816 120.300 -0.717 0.000 2.114 24 Y HA -0.192 4.240 4.550 -0.197 0.000 0.282 24 Y C 2.326 177.807 175.900 -0.699 0.000 1.165 24 Y CA 2.356 59.659 58.100 -1.327 0.000 1.148 24 Y CB -0.668 37.104 38.460 -1.148 0.000 0.972 24 Y HN 0.374 nan 8.280 nan 0.000 0.504 25 Q N -1.008 118.502 119.800 -0.484 0.000 2.224 25 Q HA -0.155 4.067 4.340 -0.197 0.000 0.203 25 Q C 2.573 178.368 176.000 -0.342 0.000 0.970 25 Q CA 1.310 56.866 55.803 -0.411 0.000 0.865 25 Q CB -0.208 28.434 28.738 -0.161 0.000 0.922 25 Q HN 0.448 nan 8.270 nan 0.000 0.445 26 S N -0.087 115.460 115.700 -0.256 0.000 2.368 26 S HA -0.122 4.230 4.470 -0.197 0.000 0.224 26 S C 2.002 176.487 174.600 -0.191 0.000 1.029 26 S CA 1.447 59.550 58.200 -0.162 0.000 0.988 26 S CB -0.019 63.140 63.200 -0.069 0.000 0.838 26 S HN 0.292 nan 8.310 nan 0.000 0.462 27 S N 1.314 116.873 115.700 -0.235 0.000 2.387 27 S HA 0.143 4.495 4.470 -0.197 0.000 0.226 27 S C 2.201 176.542 174.600 -0.432 0.000 1.026 27 S CA 0.827 58.926 58.200 -0.169 0.000 0.972 27 S CB -0.550 62.713 63.200 0.105 0.000 0.814 27 S HN 0.664 nan 8.310 nan 0.000 0.477 28 A N 1.693 124.133 122.820 -0.632 0.000 1.978 28 A HA -0.176 4.026 4.320 -0.197 0.000 0.220 28 A C 1.978 179.206 177.584 -0.593 0.000 1.170 28 A CA 1.436 52.954 52.037 -0.865 0.000 0.636 28 A CB -0.525 17.950 19.000 -0.875 0.000 0.810 28 A HN 0.524 nan 8.150 nan 0.000 0.448 29 E N -0.501 119.469 120.200 -0.382 0.000 2.058 29 E HA -0.261 3.971 4.350 -0.197 0.000 0.194 29 E C 2.306 178.823 176.600 -0.138 0.000 0.997 29 E CA 1.619 57.893 56.400 -0.210 0.000 0.801 29 E CB -0.183 29.443 29.700 -0.124 0.000 0.746 29 E HN 0.762 nan 8.360 nan 0.000 0.450 30 Q N -0.043 119.655 119.800 -0.171 0.000 2.124 30 Q HA -0.139 4.083 4.340 -0.197 0.000 0.202 30 Q C 2.331 178.285 176.000 -0.077 0.000 0.977 30 Q CA 1.284 57.037 55.803 -0.084 0.000 0.850 30 Q CB 0.081 28.762 28.738 -0.096 0.000 0.901 30 Q HN 0.176 nan 8.270 nan 0.000 0.429 31 V N 1.026 120.756 119.914 -0.305 0.000 2.323 31 V HA -0.238 3.764 4.120 -0.197 0.000 0.244 31 V C 2.210 178.169 176.094 -0.225 0.000 1.041 31 V CA 1.391 63.481 62.300 -0.350 0.000 1.025 31 V CB -0.531 30.807 31.823 -0.808 0.000 0.656 31 V HN 0.319 nan 8.190 nan 0.000 0.451 32 L N -0.921 120.139 121.223 -0.271 0.000 2.012 32 L HA -0.220 4.002 4.340 -0.197 0.000 0.210 32 L C 2.415 179.288 176.870 0.005 0.000 1.073 32 L CA 2.100 56.819 54.840 -0.202 0.000 0.748 32 L CB -0.677 41.123 42.059 -0.433 0.000 0.891 32 L HN 0.378 nan 8.230 nan 0.000 0.431 33 F N 1.597 121.526 119.950 -0.035 0.000 2.095 33 F HA -0.345 4.064 4.527 -0.196 0.000 0.298 33 F C 2.666 178.506 175.800 0.068 0.000 1.104 33 F CA 2.130 60.167 58.000 0.061 0.000 1.232 33 F CB -0.279 38.748 39.000 0.045 0.000 0.987 33 F HN 0.199 nan 8.300 nan 0.000 0.475 34 Q N -0.002 119.805 119.800 0.011 0.000 2.119 34 Q HA -0.123 4.099 4.340 -0.197 0.000 0.201 34 Q C 2.260 178.205 176.000 -0.093 0.000 0.972 34 Q CA 1.890 57.650 55.803 -0.070 0.000 0.847 34 Q CB -1.226 27.547 28.738 0.058 0.000 0.903 34 Q HN 0.377 nan 8.270 nan 0.000 0.433 35 S N 0.029 115.689 115.700 -0.065 0.000 2.343 35 S HA -0.142 4.210 4.470 -0.197 0.000 0.219 35 S C 1.914 176.494 174.600 -0.034 0.000 1.033 35 S CA 1.450 59.628 58.200 -0.037 0.000 1.014 35 S CB -0.564 62.611 63.200 -0.041 0.000 0.915 35 S HN 0.311 nan 8.310 nan 0.000 0.435 36 V N 2.444 122.304 119.914 -0.090 0.000 2.295 36 V HA -0.142 3.861 4.120 -0.197 0.000 0.246 36 V C 2.940 178.980 176.094 -0.090 0.000 1.049 36 V CA 1.834 64.062 62.300 -0.121 0.000 1.024 36 V CB -1.511 30.104 31.823 -0.347 0.000 0.648 36 V HN 0.640 nan 8.190 nan 0.000 0.447 37 A N 0.053 122.762 122.820 -0.185 0.000 1.908 37 A HA -0.171 4.032 4.320 -0.197 0.000 0.218 37 A C 2.399 180.045 177.584 0.103 0.000 1.181 37 A CA 2.329 54.359 52.037 -0.011 0.000 0.627 37 A CB -0.787 18.001 19.000 -0.353 0.000 0.818 37 A HN 0.598 nan 8.150 nan 0.000 0.445 38 A N -1.075 121.776 122.820 0.051 0.000 1.968 38 A HA 0.020 4.222 4.320 -0.197 0.000 0.217 38 A C 2.413 180.092 177.584 0.158 0.000 1.169 38 A CA 1.822 53.915 52.037 0.093 0.000 0.638 38 A CB -0.678 18.354 19.000 0.054 0.000 0.812 38 A HN 0.433 nan 8.150 nan 0.000 0.446 39 S N -1.414 114.409 115.700 0.206 0.000 2.368 39 S HA -0.152 4.200 4.470 -0.197 0.000 0.224 39 S C 1.613 176.445 174.600 0.387 0.000 1.029 39 S CA 0.918 59.319 58.200 0.334 0.000 0.988 39 S CB -0.431 63.005 63.200 0.392 0.000 0.838 39 S HN 0.794 nan 8.310 nan 0.000 0.462 40 W N 2.547 123.880 121.300 0.055 0.000 2.335 40 W HA -0.197 4.345 4.660 -0.197 0.000 0.311 40 W C 2.358 178.778 176.519 -0.164 0.000 1.213 40 W CA 1.515 58.615 57.345 -0.408 0.000 1.274 40 W CB -0.687 28.550 29.460 -0.372 0.000 1.148 40 W HN 0.335 nan 8.180 nan 0.000 0.498 41 A N -0.301 122.599 122.820 0.134 0.000 1.978 41 A HA -0.293 3.910 4.320 -0.197 0.000 0.220 41 A C 2.100 179.679 177.584 -0.009 0.000 1.170 41 A CA 1.954 54.028 52.037 0.063 0.000 0.636 41 A CB -1.514 17.564 19.000 0.131 0.000 0.810 41 A HN 0.621 nan 8.150 nan 0.000 0.448 42 H N -0.490 118.559 119.070 -0.035 0.000 2.343 42 H HA -0.081 4.356 4.556 -0.197 0.000 0.303 42 H C 1.060 176.352 175.328 -0.061 0.000 1.068 42 H CA 1.580 57.617 56.048 -0.019 0.000 1.359 42 H CB -0.028 29.757 29.762 0.038 0.000 1.402 42 H HN 0.363 nan 8.280 nan 0.000 0.515 43 D N -0.013 120.340 120.400 -0.078 0.000 2.264 43 D HA -0.095 4.427 4.640 -0.197 0.000 0.208 43 D C 1.847 177.953 176.300 -0.324 0.000 0.966 43 D CA 1.581 55.507 54.000 -0.124 0.000 0.864 43 D CB -0.230 40.654 40.800 0.140 0.000 0.933 43 D HN 0.555 nan 8.370 nan 0.000 0.499 44 T N -2.910 111.332 114.554 -0.520 0.000 3.086 44 T HA 0.102 4.334 4.350 -0.197 0.000 0.250 44 T C 0.458 174.975 174.700 -0.306 0.000 1.074 44 T CA -0.405 61.380 62.100 -0.525 0.000 0.988 44 T CB 0.073 68.428 68.868 -0.854 0.000 0.988 44 T HN -0.112 nan 8.240 nan 0.000 0.530 45 N N 0.810 119.353 118.700 -0.262 0.000 3.304 45 N HA 0.165 4.787 4.740 -0.197 0.000 0.187 45 N C -1.460 173.933 175.510 -0.195 0.000 1.482 45 N CA -0.435 52.511 53.050 -0.173 0.000 0.785 45 N CB -0.176 38.241 38.487 -0.116 0.000 1.619 45 N HN 0.350 nan 8.380 nan 0.000 0.624 46 I N 2.168 122.594 120.570 -0.240 0.000 2.483 46 I HA 0.165 4.217 4.170 -0.197 0.000 0.291 46 I C 0.743 176.798 176.117 -0.104 0.000 1.112 46 I CA 0.268 61.378 61.300 -0.317 0.000 1.350 46 I CB 0.169 38.004 38.000 -0.275 0.000 1.419 46 I HN 0.481 nan 8.210 nan 0.000 0.523 47 T N 1.882 116.426 114.554 -0.017 0.000 2.865 47 T HA 0.609 4.842 4.350 -0.197 0.000 0.294 47 T C 0.732 175.497 174.700 0.108 0.000 1.119 47 T CA -0.274 61.853 62.100 0.044 0.000 1.007 47 T CB 1.887 70.774 68.868 0.032 0.000 1.225 47 T HN 0.394 nan 8.240 nan 0.000 0.515 48 A N 0.380 123.248 122.820 0.080 0.000 1.902 48 A HA 0.006 4.208 4.320 -0.197 0.000 0.217 48 A C 2.143 179.774 177.584 0.078 0.000 1.181 48 A CA 2.100 54.185 52.037 0.079 0.000 0.623 48 A CB -1.179 17.854 19.000 0.055 0.000 0.818 48 A HN 0.954 nan 8.150 nan 0.000 0.443 49 E N 0.721 120.962 120.200 0.067 0.000 2.106 49 E HA -0.147 4.085 4.350 -0.197 0.000 0.192 49 E C 1.705 178.351 176.600 0.077 0.000 0.984 49 E CA 1.589 58.025 56.400 0.060 0.000 0.806 49 E CB -0.268 29.461 29.700 0.048 0.000 0.750 49 E HN 0.556 nan 8.360 nan 0.000 0.458 50 N N 0.148 118.913 118.700 0.108 0.000 2.188 50 N HA -0.072 4.550 4.740 -0.197 0.000 0.184 50 N C 1.526 177.138 175.510 0.171 0.000 1.018 50 N CA 1.300 54.440 53.050 0.149 0.000 0.858 50 N CB -0.459 38.126 38.487 0.163 0.000 0.989 50 N HN 0.284 nan 8.380 nan 0.000 0.426 51 A N 1.387 124.324 122.820 0.194 0.000 1.877 51 A HA -0.142 4.060 4.320 -0.197 0.000 0.216 51 A C 2.267 179.836 177.584 -0.025 0.000 1.186 51 A CA 1.404 53.432 52.037 -0.015 0.000 0.620 51 A CB -0.539 18.485 19.000 0.040 0.000 0.822 51 A HN 0.256 nan 8.150 nan 0.000 0.443 52 R N -0.471 120.045 120.500 0.026 0.000 2.091 52 R HA -0.156 4.066 4.340 -0.197 0.000 0.238 52 R C 2.377 178.691 176.300 0.024 0.000 1.136 52 R CA 1.802 57.916 56.100 0.024 0.000 0.959 52 R CB -0.256 30.065 30.300 0.035 0.000 0.856 52 R HN 0.516 nan 8.270 nan 0.000 0.437 53 R N -0.114 120.407 120.500 0.035 0.000 2.081 53 R HA -0.137 4.085 4.340 -0.197 0.000 0.235 53 R C 2.505 178.824 176.300 0.031 0.000 1.131 53 R CA 1.534 57.658 56.100 0.040 0.000 0.960 53 R CB -0.263 30.070 30.300 0.055 0.000 0.856 53 R HN 0.314 nan 8.270 nan 0.000 0.436 54 Q N 1.171 120.978 119.800 0.011 0.000 2.084 54 Q HA -0.196 4.026 4.340 -0.197 0.000 0.202 54 Q C 1.573 177.570 176.000 -0.005 0.000 0.978 54 Q CA 1.699 57.498 55.803 -0.008 0.000 0.844 54 Q CB 0.132 28.817 28.738 -0.089 0.000 0.898 54 Q HN 0.440 nan 8.270 nan 0.000 0.426 55 E N -0.204 119.989 120.200 -0.013 0.000 2.110 55 E HA -0.154 4.078 4.350 -0.197 0.000 0.193 55 E C 2.052 178.673 176.600 0.035 0.000 0.988 55 E CA 1.326 57.734 56.400 0.012 0.000 0.804 55 E CB 0.092 29.797 29.700 0.009 0.000 0.745 55 E HN 0.258 nan 8.360 nan 0.000 0.458 56 E N 0.127 120.348 120.200 0.034 0.000 2.110 56 E HA -0.163 4.069 4.350 -0.197 0.000 0.193 56 E C 1.988 178.615 176.600 0.046 0.000 0.988 56 E CA 0.808 57.233 56.400 0.042 0.000 0.804 56 E CB -0.366 29.358 29.700 0.040 0.000 0.745 56 E HN 0.478 nan 8.360 nan 0.000 0.458 57 A N 0.819 123.663 122.820 0.040 0.000 1.902 57 A HA 0.047 4.249 4.320 -0.197 0.000 0.217 57 A C 2.506 180.118 177.584 0.046 0.000 1.181 57 A CA 1.844 53.904 52.037 0.039 0.000 0.623 57 A CB -0.809 18.208 19.000 0.029 0.000 0.818 57 A HN 0.464 nan 8.150 nan 0.000 0.443 58 A N -0.387 122.466 122.820 0.054 0.000 1.933 58 A HA -0.028 4.174 4.320 -0.197 0.000 0.218 58 A C 2.176 179.812 177.584 0.087 0.000 1.175 58 A CA 1.393 53.476 52.037 0.077 0.000 0.628 58 A CB -0.545 18.510 19.000 0.092 0.000 0.814 58 A HN 0.467 nan 8.150 nan 0.000 0.444 59 L N -1.215 120.056 121.223 0.079 0.000 2.046 59 L HA -0.179 4.043 4.340 -0.197 0.000 0.208 59 L C 2.579 179.500 176.870 0.084 0.000 1.077 59 L CA 1.391 56.277 54.840 0.078 0.000 0.747 59 L CB -0.401 41.698 42.059 0.066 0.000 0.896 59 L HN 0.459 nan 8.230 nan 0.000 0.432 60 L N -0.625 120.647 121.223 0.080 0.000 2.046 60 L HA -0.199 4.023 4.340 -0.197 0.000 0.208 60 L C 2.610 179.554 176.870 0.124 0.000 1.077 60 L CA 1.748 56.644 54.840 0.094 0.000 0.747 60 L CB -0.469 41.633 42.059 0.071 0.000 0.896 60 L HN 0.093 nan 8.230 nan 0.000 0.432 61 S N -0.948 114.811 115.700 0.098 0.000 2.382 61 S HA -0.238 4.115 4.470 -0.197 0.000 0.228 61 S C 1.852 176.564 174.600 0.186 0.000 1.027 61 S CA 1.410 59.681 58.200 0.119 0.000 0.991 61 S CB -0.240 63.001 63.200 0.068 0.000 0.823 61 S HN 0.560 nan 8.310 nan 0.000 0.469 62 Q N 0.756 120.638 119.800 0.137 0.000 2.079 62 Q HA -0.086 4.136 4.340 -0.197 0.000 0.200 62 Q C 2.232 178.308 176.000 0.128 0.000 0.974 62 Q CA 1.113 56.983 55.803 0.111 0.000 0.840 62 Q CB -0.132 28.645 28.738 0.065 0.000 0.898 62 Q HN 0.574 nan 8.270 nan 0.000 0.430 63 E N 0.074 120.357 120.200 0.138 0.000 2.049 63 E HA -0.238 3.994 4.350 -0.197 0.000 0.198 63 E C 1.726 178.451 176.600 0.208 0.000 1.007 63 E CA 1.293 57.778 56.400 0.142 0.000 0.809 63 E CB -0.225 29.558 29.700 0.139 0.000 0.749 63 E HN 0.271 nan 8.360 nan 0.000 0.450 64 F N 1.305 121.338 119.950 0.138 0.000 2.069 64 F HA -0.232 4.176 4.527 -0.197 0.000 0.298 64 F C 2.276 178.259 175.800 0.305 0.000 1.113 64 F CA 1.715 59.856 58.000 0.235 0.000 1.214 64 F CB -0.418 38.675 39.000 0.154 0.000 0.978 64 F HN -0.044 nan 8.300 nan 0.000 0.474 65 A N -0.271 122.734 122.820 0.309 0.000 1.940 65 A HA -0.258 3.945 4.320 -0.197 0.000 0.219 65 A C 2.235 179.877 177.584 0.096 0.000 1.176 65 A CA 1.882 54.035 52.037 0.194 0.000 0.631 65 A CB -1.054 18.059 19.000 0.188 0.000 0.814 65 A HN 0.635 nan 8.150 nan 0.000 0.446 66 E N -0.148 120.097 120.200 0.075 0.000 2.028 66 E HA -0.113 4.119 4.350 -0.197 0.000 0.191 66 E C 2.200 178.806 176.600 0.010 0.000 0.988 66 E CA 1.041 57.458 56.400 0.027 0.000 0.799 66 E CB -0.281 29.430 29.700 0.019 0.000 0.755 66 E HN 0.516 nan 8.360 nan 0.000 0.447 67 A N 0.438 123.258 122.820 -0.001 0.000 1.883 67 A HA -0.186 4.016 4.320 -0.197 0.000 0.217 67 A C 1.828 179.327 177.584 -0.141 0.000 1.186 67 A CA 1.560 53.540 52.037 -0.094 0.000 0.624 67 A CB -1.162 17.757 19.000 -0.136 0.000 0.822 67 A HN 0.514 nan 8.150 nan 0.000 0.444 68 W N -0.400 120.811 121.300 -0.147 0.000 2.418 68 W HA 0.143 4.684 4.660 -0.197 0.000 0.292 68 W C 2.539 179.095 176.519 0.062 0.000 1.213 68 W CA 0.883 58.206 57.345 -0.036 0.000 1.283 68 W CB -0.646 28.701 29.460 -0.188 0.000 1.119 68 W HN 0.368 nan 8.180 nan 0.000 0.542 69 G N -0.281 108.621 108.800 0.169 0.000 2.421 69 G HA2 -0.275 3.567 3.960 -0.197 0.000 0.216 69 G HA3 -0.275 3.567 3.960 -0.197 0.000 0.216 69 G C 1.386 176.292 174.900 0.010 0.000 1.171 69 G CA 1.283 46.421 45.100 0.063 0.000 0.775 69 G HN 0.199 nan 8.290 nan 0.000 0.543 70 Q N -0.237 119.559 119.800 -0.007 0.000 2.124 70 Q HA -0.041 4.182 4.340 -0.197 0.000 0.202 70 Q C 2.651 178.612 176.000 -0.064 0.000 0.977 70 Q CA 1.754 57.531 55.803 -0.043 0.000 0.850 70 Q CB -0.276 28.433 28.738 -0.048 0.000 0.901 70 Q HN 0.614 nan 8.270 nan 0.000 0.429 71 K N 1.032 121.408 120.400 -0.039 0.000 2.026 71 K HA 0.011 4.213 4.320 -0.197 0.000 0.208 71 K C 2.013 178.483 176.600 -0.216 0.000 1.048 71 K CA 1.576 57.827 56.287 -0.061 0.000 0.929 71 K CB -0.814 31.726 32.500 0.067 0.000 0.713 71 K HN 0.290 nan 8.250 nan 0.000 0.439 72 A N 0.774 123.479 122.820 -0.192 0.000 1.902 72 A HA -0.177 4.025 4.320 -0.197 0.000 0.217 72 A C 1.969 179.423 177.584 -0.216 0.000 1.181 72 A CA 1.935 53.762 52.037 -0.351 0.000 0.623 72 A CB -0.441 18.456 19.000 -0.172 0.000 0.818 72 A HN 0.388 nan 8.150 nan 0.000 0.443 73 K N -0.552 119.764 120.400 -0.140 0.000 2.057 73 K HA -0.125 4.077 4.320 -0.197 0.000 0.206 73 K C 2.119 178.647 176.600 -0.120 0.000 1.050 73 K CA 1.241 57.475 56.287 -0.089 0.000 0.935 73 K CB -0.137 32.327 32.500 -0.060 0.000 0.715 73 K HN 0.672 nan 8.250 nan 0.000 0.439 74 E N 1.084 121.189 120.200 -0.160 0.000 2.085 74 E HA -0.215 4.017 4.350 -0.197 0.000 0.194 74 E C 1.769 178.222 176.600 -0.244 0.000 0.994 74 E CA 1.220 57.519 56.400 -0.168 0.000 0.801 74 E CB 0.094 29.701 29.700 -0.155 0.000 0.743 74 E HN 0.259 nan 8.360 nan 0.000 0.453 75 L N -1.447 119.502 121.223 -0.456 0.000 2.298 75 L HA 0.012 4.234 4.340 -0.197 0.000 0.209 75 L C 1.355 177.829 176.870 -0.659 0.000 1.084 75 L CA 0.479 54.875 54.840 -0.740 0.000 0.816 75 L CB 0.089 41.340 42.059 -1.347 0.000 0.967 75 L HN 0.173 nan 8.230 nan 0.000 0.460 76 Y N -2.042 118.237 120.300 -0.035 0.000 2.448 76 Y HA 0.107 4.538 4.550 -0.197 0.000 0.257 76 Y C 2.100 178.074 175.900 0.124 0.000 1.089 76 Y CA -0.327 57.802 58.100 0.048 0.000 1.245 76 Y CB 0.403 38.904 38.460 0.068 0.000 1.282 76 Y HN -0.053 nan 8.280 nan 0.000 0.529 77 E N 2.577 122.896 120.200 0.199 0.000 2.086 77 E HA -0.173 4.059 4.350 -0.197 0.000 0.200 77 E C -0.763 175.917 176.600 0.134 0.000 1.012 77 E CA 1.942 58.499 56.400 0.262 0.000 0.812 77 E CB -0.927 28.835 29.700 0.105 0.000 0.743 77 E HN 0.281 nan 8.360 nan 0.000 0.453 78 P HA 0.044 nan 4.420 nan 0.000 0.249 78 P C 0.950 178.170 177.300 -0.133 0.000 1.229 78 P CA 0.851 63.914 63.100 -0.060 0.000 0.788 78 P CB -0.008 31.669 31.700 -0.038 0.000 1.072 79 I N -6.089 114.394 120.570 -0.144 0.000 4.730 79 I HA 0.214 4.266 4.170 -0.197 0.000 0.332 79 I C 2.139 177.843 176.117 -0.690 0.000 1.299 79 I CA -0.531 60.622 61.300 -0.246 0.000 1.294 79 I CB -0.691 37.308 38.000 -0.002 0.000 1.317 79 I HN -0.168 nan 8.210 nan 0.000 0.457 80 W N 2.721 123.523 121.300 -0.831 0.000 2.350 80 W HA -0.102 4.439 4.660 -0.198 0.000 0.289 80 W C 1.346 177.384 176.519 -0.801 0.000 1.215 80 W CA 0.926 57.434 57.345 -1.396 0.000 1.236 80 W CB -1.040 28.049 29.460 -0.618 0.000 1.130 80 W HN 0.310 nan 8.180 nan 0.000 0.541 81 Q N 0.807 119.829 119.800 -1.297 0.000 2.369 81 Q HA -0.130 4.092 4.340 -0.197 0.000 0.206 81 Q C 1.945 177.661 176.000 -0.472 0.000 0.963 81 Q CA 1.326 56.499 55.803 -1.049 0.000 0.894 81 Q CB -0.139 27.934 28.738 -1.108 0.000 0.965 81 Q HN 0.532 nan 8.270 nan 0.000 0.475 82 Q N -0.642 118.923 119.800 -0.392 0.000 2.247 82 Q HA 0.088 4.310 4.340 -0.197 0.000 0.204 82 Q C -0.647 175.391 176.000 0.063 0.000 0.872 82 Q CA -0.422 55.294 55.803 -0.146 0.000 0.951 82 Q CB 0.538 29.207 28.738 -0.115 0.000 1.099 82 Q HN 0.137 nan 8.270 nan 0.000 0.501 83 F N 1.464 121.404 119.950 -0.017 0.000 2.563 83 F HA -0.062 4.347 4.527 -0.196 0.000 0.363 83 F C 2.003 177.808 175.800 0.009 0.000 1.123 83 F CA 0.294 58.301 58.000 0.013 0.000 1.307 83 F CB 0.579 39.605 39.000 0.044 0.000 1.115 83 F HN 0.074 nan 8.300 nan 0.000 0.592 84 T N -1.994 112.674 114.554 0.191 0.000 2.857 84 T HA -0.140 4.093 4.350 -0.197 0.000 0.266 84 T C 0.616 175.363 174.700 0.079 0.000 1.048 84 T CA 0.731 62.887 62.100 0.094 0.000 1.139 84 T CB -0.275 68.622 68.868 0.048 0.000 0.874 84 T HN 0.400 nan 8.240 nan 0.000 0.455 85 D N 3.396 123.840 120.400 0.073 0.000 2.336 85 D HA 0.194 4.716 4.640 -0.197 0.000 0.249 85 D C -1.322 175.036 176.300 0.097 0.000 1.213 85 D CA -2.535 51.498 54.000 0.054 0.000 0.870 85 D CB 1.731 42.535 40.800 0.007 0.000 1.076 85 D HN 0.118 nan 8.370 nan 0.000 0.483 86 P HA -0.165 nan 4.420 nan 0.000 0.217 86 P C 1.339 178.695 177.300 0.093 0.000 1.151 86 P CA 0.900 64.055 63.100 0.092 0.000 0.828 86 P CB 0.389 32.126 31.700 0.061 0.000 0.788 87 Q N -0.543 119.295 119.800 0.064 0.000 2.124 87 Q HA -0.149 4.073 4.340 -0.197 0.000 0.202 87 Q C 2.180 178.216 176.000 0.060 0.000 0.977 87 Q CA 0.945 56.778 55.803 0.050 0.000 0.850 87 Q CB -0.532 28.222 28.738 0.028 0.000 0.901 87 Q HN 0.062 nan 8.270 nan 0.000 0.429 88 L N 0.848 122.113 121.223 0.070 0.000 2.046 88 L HA -0.165 4.057 4.340 -0.197 0.000 0.208 88 L C 2.246 179.222 176.870 0.176 0.000 1.077 88 L CA 1.665 56.556 54.840 0.085 0.000 0.747 88 L CB -0.273 41.810 42.059 0.039 0.000 0.896 88 L HN 0.117 nan 8.230 nan 0.000 0.432 89 R N -0.823 119.828 120.500 0.251 0.000 2.081 89 R HA -0.152 4.070 4.340 -0.197 0.000 0.235 89 R C 2.345 178.782 176.300 0.229 0.000 1.131 89 R CA 1.669 57.988 56.100 0.366 0.000 0.960 89 R CB -0.380 30.137 30.300 0.361 0.000 0.856 89 R HN 0.391 nan 8.270 nan 0.000 0.436 90 R N 0.363 120.951 120.500 0.147 0.000 2.081 90 R HA -0.084 4.138 4.340 -0.197 0.000 0.235 90 R C 2.321 178.623 176.300 0.004 0.000 1.131 90 R CA 1.430 57.581 56.100 0.084 0.000 0.960 90 R CB -0.316 30.027 30.300 0.072 0.000 0.856 90 R HN 0.225 nan 8.270 nan 0.000 0.436 91 I N 0.222 120.790 120.570 -0.004 0.000 2.193 91 I HA -0.238 3.814 4.170 -0.197 0.000 0.240 91 I C 2.226 178.266 176.117 -0.128 0.000 1.084 91 I CA 1.265 62.538 61.300 -0.045 0.000 1.365 91 I CB -0.209 37.782 38.000 -0.015 0.000 1.064 91 I HN 0.095 nan 8.210 nan 0.000 0.410 92 I N 0.903 121.397 120.570 -0.125 0.000 2.286 92 I HA -0.201 3.852 4.170 -0.197 0.000 0.248 92 I C 2.634 178.401 176.117 -0.583 0.000 1.115 92 I CA 1.507 62.664 61.300 -0.239 0.000 1.392 92 I CB -0.770 37.150 38.000 -0.135 0.000 1.065 92 I HN 0.272 nan 8.210 nan 0.000 0.418 93 G N 0.465 108.808 108.800 -0.763 0.000 2.450 93 G HA2 -0.250 3.592 3.960 -0.197 0.000 0.220 93 G HA3 -0.250 3.592 3.960 -0.197 0.000 0.220 93 G C 1.817 176.467 174.900 -0.417 0.000 1.130 93 G CA 0.882 45.334 45.100 -1.081 0.000 0.760 93 G HN 0.502 nan 8.290 nan 0.000 0.557 94 A N 0.060 122.759 122.820 -0.202 0.000 1.872 94 A HA 0.173 4.375 4.320 -0.197 0.000 0.214 94 A C 2.560 180.093 177.584 -0.086 0.000 1.187 94 A CA 1.597 53.610 52.037 -0.039 0.000 0.614 94 A CB -0.497 18.504 19.000 0.002 0.000 0.826 94 A HN 0.237 nan 8.150 nan 0.000 0.442 95 V N 1.299 121.092 119.914 -0.203 0.000 2.515 95 V HA -0.256 3.746 4.120 -0.197 0.000 0.250 95 V C 2.564 178.579 176.094 -0.132 0.000 1.058 95 V CA 2.143 64.313 62.300 -0.217 0.000 1.064 95 V CB -1.046 30.574 31.823 -0.338 0.000 0.675 95 V HN 0.830 nan 8.190 nan 0.000 0.461 96 R N 0.595 120.968 120.500 -0.211 0.000 2.285 96 R HA -0.045 4.177 4.340 -0.197 0.000 0.213 96 R C 0.544 176.790 176.300 -0.089 0.000 1.068 96 R CA 0.953 56.945 56.100 -0.180 0.000 1.004 96 R CB -0.675 29.429 30.300 -0.327 0.000 0.873 96 R HN 0.386 nan 8.270 nan 0.000 0.467 97 T N 1.455 115.983 114.554 -0.044 0.000 2.910 97 T HA 0.259 4.492 4.350 -0.197 0.000 0.323 97 T C 0.482 175.175 174.700 -0.011 0.000 1.091 97 T CA -0.520 61.602 62.100 0.037 0.000 0.960 97 T CB 1.166 70.150 68.868 0.192 0.000 1.024 97 T HN 0.031 nan 8.240 nan 0.000 0.509 98 L N 2.771 123.949 121.223 -0.075 0.000 2.270 98 L HA 0.242 4.464 4.340 -0.197 0.000 0.210 98 L C 1.974 178.714 176.870 -0.216 0.000 1.104 98 L CA 1.190 55.967 54.840 -0.105 0.000 0.804 98 L CB -1.041 40.957 42.059 -0.100 0.000 0.937 98 L HN 0.929 nan 8.230 nan 0.000 0.450 99 G N -0.161 108.369 108.800 -0.450 0.000 2.583 99 G HA2 -0.445 3.397 3.960 -0.197 0.000 0.292 99 G HA3 -0.445 3.397 3.960 -0.197 0.000 0.292 99 G C 1.146 175.615 174.900 -0.717 0.000 1.203 99 G CA 1.055 45.579 45.100 -0.959 0.000 0.987 99 G HN 0.442 nan 8.290 nan 0.000 0.554 100 S N 0.400 115.749 115.700 -0.584 0.000 2.440 100 S HA 0.181 4.533 4.470 -0.197 0.000 0.238 100 S C 2.511 176.916 174.600 -0.326 0.000 1.010 100 S CA 1.908 59.770 58.200 -0.564 0.000 0.972 100 S CB -0.449 62.332 63.200 -0.699 0.000 0.774 100 S HN 2.088 nan 8.310 nan 0.000 0.501 101 A N 2.179 124.869 122.820 -0.217 0.000 2.172 101 A HA 0.013 4.216 4.320 -0.197 0.000 0.216 101 A C 2.056 179.563 177.584 -0.128 0.000 1.154 101 A CA 0.977 52.944 52.037 -0.116 0.000 0.701 101 A CB -0.605 18.366 19.000 -0.048 0.000 0.789 101 A HN 0.575 nan 8.150 nan 0.000 0.465 102 N N -0.000 118.584 118.700 -0.192 0.000 2.331 102 N HA 0.004 4.627 4.740 -0.197 0.000 0.180 102 N C 0.412 175.839 175.510 -0.138 0.000 1.019 102 N CA 0.424 53.376 53.050 -0.163 0.000 0.881 102 N CB -0.236 38.130 38.487 -0.202 0.000 0.972 102 N HN 0.468 nan 8.380 nan 0.000 0.435 103 L N 2.033 123.159 121.223 -0.161 0.000 2.439 103 L HA 0.175 4.398 4.340 -0.197 0.000 0.269 103 L C -1.948 174.879 176.870 -0.072 0.000 1.179 103 L CA -1.534 53.234 54.840 -0.120 0.000 0.828 103 L CB 0.004 41.979 42.059 -0.140 0.000 1.106 103 L HN -0.144 nan 8.230 nan 0.000 0.467 104 P HA -0.047 nan 4.420 nan 0.000 0.271 104 P C 0.505 177.796 177.300 -0.014 0.000 1.233 104 P CA -0.445 62.638 63.100 -0.028 0.000 0.789 104 P CB 0.558 32.245 31.700 -0.022 0.000 0.951 105 L N 2.775 123.996 121.223 -0.003 0.000 2.013 105 L HA -0.254 3.968 4.340 -0.197 0.000 0.212 105 L C 2.142 179.024 176.870 0.020 0.000 1.073 105 L CA 2.606 57.452 54.840 0.010 0.000 0.753 105 L CB -1.685 40.382 42.059 0.013 0.000 0.890 105 L HN 0.441 nan 8.230 nan 0.000 0.432 106 A N -0.834 121.996 122.820 0.016 0.000 1.883 106 A HA -0.266 3.937 4.320 -0.197 0.000 0.217 106 A C 2.362 179.967 177.584 0.034 0.000 1.186 106 A CA 2.193 54.245 52.037 0.024 0.000 0.624 106 A CB -0.555 18.455 19.000 0.017 0.000 0.822 106 A HN 0.545 nan 8.150 nan 0.000 0.444 107 K N -0.984 119.431 120.400 0.026 0.000 2.155 107 K HA -0.029 4.173 4.320 -0.197 0.000 0.203 107 K C 2.312 178.954 176.600 0.070 0.000 1.052 107 K CA 0.909 57.219 56.287 0.040 0.000 0.948 107 K CB -0.123 32.383 32.500 0.011 0.000 0.728 107 K HN 0.371 nan 8.250 nan 0.000 0.448 108 R N 1.026 121.551 120.500 0.042 0.000 2.083 108 R HA -0.174 4.048 4.340 -0.197 0.000 0.237 108 R C 2.337 178.717 176.300 0.133 0.000 1.137 108 R CA 1.728 57.867 56.100 0.066 0.000 0.951 108 R CB -0.122 30.197 30.300 0.031 0.000 0.851 108 R HN 0.271 nan 8.270 nan 0.000 0.434 109 Q N -0.066 119.791 119.800 0.094 0.000 2.084 109 Q HA -0.228 3.994 4.340 -0.197 0.000 0.202 109 Q C 2.188 178.249 176.000 0.101 0.000 0.978 109 Q CA 1.486 57.342 55.803 0.089 0.000 0.844 109 Q CB -0.045 28.729 28.738 0.060 0.000 0.898 109 Q HN 0.384 nan 8.270 nan 0.000 0.426 110 Q N -0.192 119.671 119.800 0.104 0.000 2.061 110 Q HA -0.249 3.973 4.340 -0.197 0.000 0.204 110 Q C 1.896 177.985 176.000 0.149 0.000 0.984 110 Q CA 1.556 57.422 55.803 0.105 0.000 0.846 110 Q CB -0.191 28.602 28.738 0.092 0.000 0.902 110 Q HN 0.450 nan 8.270 nan 0.000 0.421 111 Y N 1.434 121.773 120.300 0.065 0.000 2.097 111 Y HA -0.281 4.150 4.550 -0.198 0.000 0.282 111 Y C 1.896 177.864 175.900 0.113 0.000 1.152 111 Y CA 2.173 60.337 58.100 0.106 0.000 1.136 111 Y CB -0.246 38.268 38.460 0.090 0.000 0.975 111 Y HN 0.270 nan 8.280 nan 0.000 0.498 112 N N 0.488 119.320 118.700 0.220 0.000 2.120 112 N HA -0.184 4.438 4.740 -0.197 0.000 0.188 112 N C 1.969 177.487 175.510 0.012 0.000 1.024 112 N CA 1.457 54.569 53.050 0.103 0.000 0.852 112 N CB -0.867 37.699 38.487 0.131 0.000 1.003 112 N HN 0.535 nan 8.380 nan 0.000 0.424 113 A N 1.355 124.195 122.820 0.033 0.000 1.902 113 A HA -0.044 4.158 4.320 -0.197 0.000 0.217 113 A C 2.410 179.992 177.584 -0.005 0.000 1.181 113 A CA 0.881 52.927 52.037 0.015 0.000 0.623 113 A CB -0.767 18.253 19.000 0.033 0.000 0.818 113 A HN 0.198 nan 8.150 nan 0.000 0.443 114 L N -0.525 120.693 121.223 -0.009 0.000 2.012 114 L HA -0.211 4.011 4.340 -0.197 0.000 0.210 114 L C 2.605 179.430 176.870 -0.075 0.000 1.073 114 L CA 1.253 56.083 54.840 -0.017 0.000 0.748 114 L CB -0.570 41.499 42.059 0.017 0.000 0.891 114 L HN 0.394 nan 8.230 nan 0.000 0.431 115 L N -1.242 119.887 121.223 -0.155 0.000 2.042 115 L HA -0.241 3.981 4.340 -0.197 0.000 0.210 115 L C 2.828 179.635 176.870 -0.106 0.000 1.076 115 L CA 1.396 56.123 54.840 -0.187 0.000 0.749 115 L CB -0.639 41.291 42.059 -0.216 0.000 0.893 115 L HN 0.258 nan 8.230 nan 0.000 0.432 116 S N -0.567 115.086 115.700 -0.080 0.000 2.356 116 S HA -0.225 4.127 4.470 -0.197 0.000 0.223 116 S C 1.970 176.568 174.600 -0.003 0.000 1.032 116 S CA 1.440 59.597 58.200 -0.071 0.000 1.005 116 S CB -0.043 63.105 63.200 -0.087 0.000 0.867 116 S HN 0.443 nan 8.310 nan 0.000 0.449 117 Q N -0.061 119.742 119.800 0.005 0.000 2.119 117 Q HA -0.002 4.220 4.340 -0.197 0.000 0.201 117 Q C 2.364 178.391 176.000 0.044 0.000 0.972 117 Q CA 1.439 57.263 55.803 0.035 0.000 0.847 117 Q CB -0.200 28.557 28.738 0.032 0.000 0.903 117 Q HN 0.563 nan 8.270 nan 0.000 0.433 118 M N -0.152 119.459 119.600 0.019 0.000 2.117 118 M HA -0.170 4.192 4.480 -0.197 0.000 0.262 118 M C 2.468 178.791 176.300 0.039 0.000 1.065 118 M CA 1.196 56.512 55.300 0.026 0.000 1.114 118 M CB -0.330 32.259 32.600 -0.018 0.000 1.361 118 M HN 0.159 nan 8.290 nan 0.000 0.408 119 S N 0.275 115.986 115.700 0.018 0.000 2.356 119 S HA -0.181 4.171 4.470 -0.197 0.000 0.223 119 S C 2.032 176.738 174.600 0.176 0.000 1.032 119 S CA 1.396 59.638 58.200 0.070 0.000 1.005 119 S CB -0.242 63.007 63.200 0.082 0.000 0.867 119 S HN 0.394 nan 8.310 nan 0.000 0.449 120 R N 0.219 120.819 120.500 0.167 0.000 2.073 120 R HA -0.017 4.205 4.340 -0.197 0.000 0.234 120 R C 2.331 178.711 176.300 0.134 0.000 1.134 120 R CA 1.763 57.963 56.100 0.166 0.000 0.952 120 R CB -0.493 29.898 30.300 0.152 0.000 0.850 120 R HN 0.521 nan 8.270 nan 0.000 0.433 121 I N -0.182 120.454 120.570 0.110 0.000 2.163 121 I HA -0.328 3.724 4.170 -0.197 0.000 0.243 121 I C 2.253 178.425 176.117 0.090 0.000 1.085 121 I CA 1.481 62.827 61.300 0.077 0.000 1.347 121 I CB -0.423 37.611 38.000 0.055 0.000 1.044 121 I HN 0.263 nan 8.210 nan 0.000 0.408 122 Y N 1.088 121.411 120.300 0.039 0.000 2.145 122 Y HA -0.247 4.185 4.550 -0.197 0.000 0.286 122 Y C 2.680 178.734 175.900 0.258 0.000 1.145 122 Y CA 1.945 60.104 58.100 0.098 0.000 1.148 122 Y CB -0.058 38.440 38.460 0.063 0.000 0.981 122 Y HN 0.010 nan 8.280 nan 0.000 0.507 123 S N -1.250 114.662 115.700 0.352 0.000 2.496 123 S HA -0.072 4.280 4.470 -0.197 0.000 0.224 123 S C 1.615 176.315 174.600 0.167 0.000 0.996 123 S CA 1.182 59.559 58.200 0.295 0.000 0.927 123 S CB -0.315 63.075 63.200 0.318 0.000 0.774 123 S HN 0.720 nan 8.310 nan 0.000 0.524 124 T N -0.767 113.864 114.554 0.128 0.000 3.054 124 T HA 0.536 4.768 4.350 -0.197 0.000 0.255 124 T C 0.532 175.281 174.700 0.082 0.000 1.035 124 T CA 0.051 62.206 62.100 0.091 0.000 0.941 124 T CB 0.077 68.986 68.868 0.068 0.000 1.026 124 T HN 0.203 nan 8.240 nan 0.000 0.533 125 A N 1.588 124.454 122.820 0.076 0.000 2.498 125 A HA 0.554 4.756 4.320 -0.197 0.000 0.239 125 A C 0.144 177.830 177.584 0.169 0.000 1.068 125 A CA -0.034 52.024 52.037 0.035 0.000 0.766 125 A CB 0.154 19.037 19.000 -0.195 0.000 1.003 125 A HN 0.571 nan 8.150 nan 0.000 0.497 126 K N 0.760 121.226 120.400 0.111 0.000 2.482 126 K HA 0.593 4.795 4.320 -0.197 0.000 0.257 126 K C -1.591 175.079 176.600 0.115 0.000 0.969 126 K CA -0.756 55.622 56.287 0.152 0.000 0.842 126 K CB 2.580 35.142 32.500 0.104 0.000 1.359 126 K HN 0.374 nan 8.250 nan 0.000 0.441 127 V N 1.999 122.009 119.914 0.160 0.000 2.347 127 V HA 0.233 4.235 4.120 -0.197 0.000 0.280 127 V C -0.553 175.553 176.094 0.020 0.000 1.021 127 V CA -0.804 61.551 62.300 0.091 0.000 0.847 127 V CB 0.975 32.896 31.823 0.163 0.000 0.990 127 V HN 0.821 nan 8.190 nan 0.000 0.444 128 c N 5.078 123.665 118.600 -0.021 0.000 2.330 128 c HA 0.796 5.248 4.570 -0.197 0.000 0.344 128 c C 0.979 175.046 174.090 -0.037 0.000 1.273 128 c CA -0.714 55.573 56.329 -0.071 0.000 1.879 128 c CB 0.381 42.865 42.510 -0.044 0.000 2.376 128 c HN 0.932 nan 8.230 nan 0.000 0.534 134 A N 1.238 124.025 122.820 -0.055 0.000 1.997 134 A HA 0.643 4.845 4.320 -0.197 0.000 0.212 134 A C 1.682 179.236 177.584 -0.051 0.000 1.178 134 A CA 1.891 53.903 52.037 -0.042 0.000 0.698 134 A CB -0.968 18.017 19.000 -0.026 0.000 0.842 134 A HN 1.250 nan 8.150 nan 0.000 0.458 135 T N -0.361 114.150 114.554 -0.073 0.000 2.870 135 T HA 0.435 4.667 4.350 -0.197 0.000 0.300 135 T C -0.121 174.486 174.700 -0.155 0.000 0.989 135 T CA 0.193 62.242 62.100 -0.084 0.000 1.139 135 T CB -0.282 68.538 68.868 -0.080 0.000 0.920 135 T HN 0.394 nan 8.240 nan 0.000 0.537 136 c N 3.794 122.339 118.600 -0.092 0.000 2.547 136 c HA 0.652 5.105 4.570 -0.197 0.000 0.313 136 c C -0.569 173.558 174.090 0.061 0.000 1.191 136 c CA -1.461 54.817 56.329 -0.085 0.000 1.474 136 c CB 0.761 43.265 42.510 -0.010 0.000 2.081 136 c HN 0.851 nan 8.230 nan 0.000 0.476 137 W N 2.692 124.039 121.300 0.079 0.000 2.315 137 W HA 0.491 5.033 4.660 -0.197 0.000 0.316 137 W C 0.735 177.284 176.519 0.051 0.000 1.211 137 W CA -0.452 56.931 57.345 0.063 0.000 1.201 137 W CB 1.020 30.528 29.460 0.080 0.000 1.184 137 W HN 0.807 nan 8.180 nan 0.000 0.544 138 S N 1.964 117.812 115.700 0.246 0.000 2.672 138 S HA 0.273 4.625 4.470 -0.197 0.000 0.276 138 S C 0.761 175.348 174.600 -0.022 0.000 1.207 138 S CA -0.748 57.523 58.200 0.118 0.000 1.002 138 S CB 1.577 64.825 63.200 0.079 0.000 0.998 138 S HN 0.400 nan 8.310 nan 0.000 0.542 139 L N 0.523 121.625 121.223 -0.201 0.000 1.989 139 L HA 0.138 4.360 4.340 -0.197 0.000 0.211 139 L C 0.289 176.991 176.870 -0.279 0.000 1.071 139 L CA 2.130 56.658 54.840 -0.519 0.000 0.749 139 L CB -0.570 40.911 42.059 -0.962 0.000 0.890 139 L HN 0.885 nan 8.230 nan 0.000 0.431 140 D N -1.517 118.795 120.400 -0.147 0.000 2.481 140 D HA 0.309 4.831 4.640 -0.197 0.000 0.246 140 D C -2.065 174.213 176.300 -0.036 0.000 1.109 140 D CA -2.165 51.788 54.000 -0.078 0.000 0.845 140 D CB 1.922 42.700 40.800 -0.035 0.000 1.160 140 D HN 0.060 nan 8.370 nan 0.000 0.534 141 P HA 0.111 nan 4.420 nan 0.000 0.245 141 P C 0.436 177.669 177.300 -0.111 0.000 1.199 141 P CA 0.086 63.151 63.100 -0.059 0.000 0.807 141 P CB 1.007 32.688 31.700 -0.032 0.000 1.002 142 D N 1.031 121.360 120.400 -0.118 0.000 2.088 142 D HA -0.119 4.403 4.640 -0.197 0.000 0.191 142 D C 2.160 178.263 176.300 -0.329 0.000 0.992 142 D CA 1.236 55.095 54.000 -0.234 0.000 0.831 142 D CB -0.750 39.953 40.800 -0.160 0.000 0.973 142 D HN 0.197 nan 8.370 nan 0.000 0.447 143 L N 0.699 121.775 121.223 -0.246 0.000 2.093 143 L HA -0.109 4.113 4.340 -0.197 0.000 0.208 143 L C 2.598 179.318 176.870 -0.251 0.000 1.085 143 L CA 1.007 55.697 54.840 -0.249 0.000 0.755 143 L CB -0.691 41.230 42.059 -0.230 0.000 0.904 143 L HN 0.012 nan 8.230 nan 0.000 0.435 144 T N -0.315 114.098 114.554 -0.235 0.000 2.684 144 T HA -0.154 4.078 4.350 -0.197 0.000 0.267 144 T C 1.732 176.352 174.700 -0.134 0.000 1.036 144 T CA 1.548 63.545 62.100 -0.172 0.000 1.148 144 T CB -0.263 68.535 68.868 -0.116 0.000 0.863 144 T HN 0.291 nan 8.240 nan 0.000 0.436 145 N N 1.009 119.622 118.700 -0.145 0.000 2.120 145 N HA 0.037 4.659 4.740 -0.197 0.000 0.188 145 N C 1.880 177.305 175.510 -0.142 0.000 1.024 145 N CA 0.834 53.808 53.050 -0.128 0.000 0.852 145 N CB -0.447 37.960 38.487 -0.132 0.000 1.003 145 N HN 0.395 nan 8.380 nan 0.000 0.424 146 I N 0.500 120.948 120.570 -0.204 0.000 2.142 146 I HA -0.249 3.803 4.170 -0.197 0.000 0.240 146 I C 1.866 177.921 176.117 -0.104 0.000 1.078 146 I CA 0.885 62.074 61.300 -0.185 0.000 1.343 146 I CB -0.221 37.620 38.000 -0.265 0.000 1.046 146 I HN 0.024 nan 8.210 nan 0.000 0.405 147 L N 0.478 121.641 121.223 -0.100 0.000 2.131 147 L HA -0.184 4.038 4.340 -0.197 0.000 0.210 147 L C 2.588 179.427 176.870 -0.051 0.000 1.092 147 L CA 1.676 56.476 54.840 -0.066 0.000 0.759 147 L CB -0.656 41.357 42.059 -0.076 0.000 0.903 147 L HN 0.223 nan 8.230 nan 0.000 0.435 148 A N -1.295 121.494 122.820 -0.050 0.000 1.930 148 A HA -0.118 4.084 4.320 -0.197 0.000 0.215 148 A C 2.358 179.933 177.584 -0.016 0.000 1.176 148 A CA 1.748 53.772 52.037 -0.022 0.000 0.632 148 A CB -0.346 18.642 19.000 -0.020 0.000 0.819 148 A HN 0.473 nan 8.150 nan 0.000 0.445 149 S N -2.216 113.465 115.700 -0.032 0.000 2.589 149 S HA 0.219 4.571 4.470 -0.197 0.000 0.235 149 S C 0.774 175.359 174.600 -0.025 0.000 1.051 149 S CA 0.570 58.756 58.200 -0.024 0.000 0.978 149 S CB -0.471 62.711 63.200 -0.030 0.000 0.929 149 S HN 0.425 nan 8.310 nan 0.000 0.523 150 S N 1.601 117.282 115.700 -0.032 0.000 2.548 150 S HA 0.419 4.771 4.470 -0.197 0.000 0.277 150 S C 0.547 175.152 174.600 0.008 0.000 1.315 150 S CA -0.610 57.581 58.200 -0.016 0.000 1.050 150 S CB 0.349 63.538 63.200 -0.018 0.000 0.918 150 S HN 0.365 nan 8.310 nan 0.000 0.497 151 R N 2.481 122.992 120.500 0.019 0.000 2.577 151 R HA 0.167 4.389 4.340 -0.197 0.000 0.344 151 R C 0.044 176.397 176.300 0.087 0.000 1.037 151 R CA -0.101 56.026 56.100 0.046 0.000 1.102 151 R CB 0.124 30.394 30.300 -0.051 0.000 1.313 151 R HN 0.565 nan 8.270 nan 0.000 0.561 152 S N 0.387 116.143 115.700 0.092 0.000 2.430 152 S HA 0.070 4.422 4.470 -0.197 0.000 0.289 152 S C 1.032 175.737 174.600 0.175 0.000 1.143 152 S CA -0.573 57.706 58.200 0.131 0.000 1.067 152 S CB 0.509 63.764 63.200 0.092 0.000 0.964 152 S HN 0.358 nan 8.310 nan 0.000 0.485 153 Y N 5.145 125.515 120.300 0.116 0.000 2.151 153 Y HA -0.218 4.214 4.550 -0.197 0.000 0.284 153 Y C 2.249 178.167 175.900 0.031 0.000 1.166 153 Y CA 2.413 60.490 58.100 -0.038 0.000 1.163 153 Y CB -0.463 37.791 38.460 -0.345 0.000 0.974 153 Y HN 0.856 nan 8.280 nan 0.000 0.511 154 A N -0.493 122.486 122.820 0.265 0.000 1.929 154 A HA -0.188 4.015 4.320 -0.197 0.000 0.216 154 A C 2.189 179.903 177.584 0.217 0.000 1.176 154 A CA 1.730 53.918 52.037 0.252 0.000 0.628 154 A CB -0.756 18.381 19.000 0.229 0.000 0.816 154 A HN 0.608 nan 8.150 nan 0.000 0.444 155 M N -0.207 119.498 119.600 0.175 0.000 2.132 155 M HA 0.035 4.397 4.480 -0.197 0.000 0.263 155 M C 1.791 178.224 176.300 0.221 0.000 1.065 155 M CA 1.494 56.911 55.300 0.196 0.000 1.122 155 M CB -0.566 32.110 32.600 0.126 0.000 1.365 155 M HN 0.334 nan 8.290 nan 0.000 0.411 156 L N -0.553 120.751 121.223 0.134 0.000 2.042 156 L HA -0.206 4.016 4.340 -0.197 0.000 0.210 156 L C 2.368 179.380 176.870 0.236 0.000 1.076 156 L CA 0.800 55.721 54.840 0.135 0.000 0.749 156 L CB -1.057 40.991 42.059 -0.019 0.000 0.893 156 L HN 0.380 nan 8.230 nan 0.000 0.432 157 L N -0.602 120.714 121.223 0.155 0.000 2.046 157 L HA -0.232 3.990 4.340 -0.197 0.000 0.208 157 L C 2.339 179.340 176.870 0.219 0.000 1.077 157 L CA 1.685 56.507 54.840 -0.030 0.000 0.747 157 L CB -0.693 41.291 42.059 -0.125 0.000 0.896 157 L HN 0.118 nan 8.230 nan 0.000 0.432 158 F N 0.252 120.301 119.950 0.166 0.000 2.102 158 F HA -0.177 4.233 4.527 -0.195 0.000 0.298 158 F C 2.288 178.234 175.800 0.243 0.000 1.105 158 F CA 1.699 59.817 58.000 0.197 0.000 1.239 158 F CB -0.581 38.535 39.000 0.192 0.000 0.991 158 F HN 0.156 nan 8.300 nan 0.000 0.474 159 A N -0.415 122.606 122.820 0.336 0.000 1.877 159 A HA -0.248 3.954 4.320 -0.197 0.000 0.216 159 A C 2.125 179.822 177.584 0.188 0.000 1.186 159 A CA 1.599 53.774 52.037 0.230 0.000 0.620 159 A CB -1.846 17.263 19.000 0.181 0.000 0.822 159 A HN 0.736 nan 8.150 nan 0.000 0.443 160 W N 0.520 121.849 121.300 0.048 0.000 2.354 160 W HA -0.172 4.367 4.660 -0.202 0.000 0.315 160 W C 2.235 178.836 176.519 0.136 0.000 1.206 160 W CA 2.007 59.407 57.345 0.091 0.000 1.290 160 W CB -0.114 29.333 29.460 -0.021 0.000 1.152 160 W HN 0.497 nan 8.180 nan 0.000 0.489 161 E N -0.505 119.910 120.200 0.359 0.000 2.077 161 E HA -0.141 4.091 4.350 -0.197 0.000 0.193 161 E C 2.376 178.945 176.600 -0.052 0.000 0.989 161 E CA 1.665 58.159 56.400 0.158 0.000 0.800 161 E CB -0.822 28.997 29.700 0.197 0.000 0.746 161 E HN 0.315 nan 8.360 nan 0.000 0.452 162 G N 1.438 110.151 108.800 -0.145 0.000 2.491 162 G HA2 -0.314 3.528 3.960 -0.197 0.000 0.218 162 G HA3 -0.314 3.528 3.960 -0.197 0.000 0.218 162 G C 1.335 176.182 174.900 -0.089 0.000 1.180 162 G CA 0.810 45.775 45.100 -0.225 0.000 0.774 162 G HN 0.532 nan 8.290 nan 0.000 0.562 163 W N 0.918 122.093 121.300 -0.209 0.000 2.354 163 W HA -0.155 4.386 4.660 -0.198 0.000 0.315 163 W C 2.444 178.768 176.519 -0.326 0.000 1.206 163 W CA 1.685 58.871 57.345 -0.266 0.000 1.290 163 W CB -0.358 28.897 29.460 -0.341 0.000 1.152 163 W HN 0.423 nan 8.180 nan 0.000 0.489 164 H N 0.338 119.088 119.070 -0.534 0.000 2.387 164 H HA -0.163 4.275 4.556 -0.198 0.000 0.299 164 H C 1.968 177.033 175.328 -0.438 0.000 1.090 164 H CA 2.347 58.025 56.048 -0.617 0.000 1.332 164 H CB -0.525 28.785 29.762 -0.754 0.000 1.386 164 H HN 0.086 nan 8.280 nan 0.000 0.516 165 N N 0.181 118.765 118.700 -0.192 0.000 2.106 165 N HA -0.091 4.531 4.740 -0.197 0.000 0.188 165 N C 2.033 177.435 175.510 -0.180 0.000 1.029 165 N CA 1.271 54.267 53.050 -0.089 0.000 0.848 165 N CB -0.599 37.872 38.487 -0.026 0.000 1.007 165 N HN 0.401 nan 8.380 nan 0.000 0.423 166 A N 0.456 123.106 122.820 -0.284 0.000 1.933 166 A HA 0.075 4.277 4.320 -0.197 0.000 0.218 166 A C 2.238 179.559 177.584 -0.437 0.000 1.175 166 A CA 1.997 53.853 52.037 -0.301 0.000 0.628 166 A CB -0.666 18.181 19.000 -0.256 0.000 0.814 166 A HN 0.342 nan 8.150 nan 0.000 0.444 167 A N -0.984 121.373 122.820 -0.771 0.000 1.887 167 A HA 0.346 4.548 4.320 -0.197 0.000 0.212 167 A C 2.354 179.705 177.584 -0.388 0.000 1.198 167 A CA 1.438 53.013 52.037 -0.770 0.000 0.628 167 A CB -1.162 16.992 19.000 -1.410 0.000 0.847 167 A HN 0.612 nan 8.150 nan 0.000 0.449 168 G N 0.274 108.859 108.800 -0.360 0.000 2.404 168 G HA2 -0.113 3.729 3.960 -0.197 0.000 0.214 168 G HA3 -0.113 3.729 3.960 -0.197 0.000 0.214 168 G C 1.526 176.480 174.900 0.090 0.000 1.189 168 G CA 1.064 46.070 45.100 -0.157 0.000 0.789 168 G HN 0.410 nan 8.290 nan 0.000 0.533 169 I N 1.891 122.486 120.570 0.042 0.000 2.118 169 I HA -0.135 3.917 4.170 -0.197 0.000 0.241 169 I C 0.092 176.245 176.117 0.060 0.000 1.070 169 I CA 1.318 62.658 61.300 0.067 0.000 1.327 169 I CB -0.918 37.096 38.000 0.024 0.000 1.034 169 I HN 0.204 nan 8.210 nan 0.000 0.405 170 P HA -0.083 nan 4.420 nan 0.000 0.229 170 P C 1.862 179.208 177.300 0.076 0.000 1.160 170 P CA 1.249 64.368 63.100 0.032 0.000 0.777 170 P CB 0.028 31.729 31.700 0.003 0.000 0.814 171 L N -0.346 120.960 121.223 0.137 0.000 2.240 171 L HA -0.045 4.177 4.340 -0.197 0.000 0.211 171 L C 2.795 179.805 176.870 0.233 0.000 1.106 171 L CA 1.065 56.042 54.840 0.229 0.000 0.793 171 L CB -0.616 41.626 42.059 0.306 0.000 0.927 171 L HN -0.045 nan 8.230 nan 0.000 0.446 172 K N 0.584 121.073 120.400 0.150 0.000 2.020 172 K HA -0.183 4.019 4.320 -0.197 0.000 0.212 172 K C -0.513 176.054 176.600 -0.055 0.000 1.050 172 K CA 1.745 57.924 56.287 -0.180 0.000 0.929 172 K CB -0.816 31.591 32.500 -0.154 0.000 0.714 172 K HN 0.183 nan 8.250 nan 0.000 0.443 173 P HA -0.165 nan 4.420 nan 0.000 0.216 173 P C 1.421 178.753 177.300 0.054 0.000 1.150 173 P CA 1.352 64.457 63.100 0.008 0.000 0.837 173 P CB -0.102 31.603 31.700 0.008 0.000 0.786 174 L N -2.406 118.872 121.223 0.091 0.000 2.072 174 L HA -0.145 4.077 4.340 -0.197 0.000 0.205 174 L C 2.834 179.811 176.870 0.178 0.000 1.079 174 L CA 1.421 56.331 54.840 0.117 0.000 0.752 174 L CB -1.261 40.865 42.059 0.112 0.000 0.906 174 L HN -0.099 nan 8.230 nan 0.000 0.436 175 Y N 1.356 121.718 120.300 0.104 0.000 2.274 175 Y HA -0.239 4.191 4.550 -0.200 0.000 0.290 175 Y C 2.488 178.527 175.900 0.232 0.000 1.145 175 Y CA 1.571 59.782 58.100 0.185 0.000 1.203 175 Y CB -0.055 38.476 38.460 0.119 0.000 0.984 175 Y HN 0.226 nan 8.280 nan 0.000 0.533 176 E N -0.437 119.885 120.200 0.203 0.000 2.077 176 E HA -0.211 4.021 4.350 -0.197 0.000 0.193 176 E C 1.638 178.261 176.600 0.037 0.000 0.989 176 E CA 1.360 57.831 56.400 0.119 0.000 0.800 176 E CB -0.146 29.566 29.700 0.019 0.000 0.746 176 E HN 0.495 nan 8.360 nan 0.000 0.452 177 D N 0.467 120.898 120.400 0.051 0.000 2.117 177 D HA -0.142 4.380 4.640 -0.197 0.000 0.198 177 D C 1.686 178.015 176.300 0.048 0.000 0.982 177 D CA 0.649 54.675 54.000 0.043 0.000 0.828 177 D CB -0.414 40.421 40.800 0.058 0.000 0.967 177 D HN 0.107 nan 8.370 nan 0.000 0.464 178 F N 1.853 121.765 119.950 -0.064 0.000 2.091 178 F HA -0.253 4.154 4.527 -0.200 0.000 0.299 178 F C 2.186 177.970 175.800 -0.027 0.000 1.103 178 F CA 1.695 59.649 58.000 -0.077 0.000 1.228 178 F CB -0.706 38.178 39.000 -0.195 0.000 0.984 178 F HN -0.153 nan 8.300 nan 0.000 0.477 179 T N 0.937 115.212 114.554 -0.465 0.000 2.708 179 T HA -0.164 4.068 4.350 -0.197 0.000 0.266 179 T C 2.239 176.796 174.700 -0.239 0.000 1.037 179 T CA 1.584 63.405 62.100 -0.466 0.000 1.146 179 T CB -0.908 67.789 68.868 -0.285 0.000 0.865 179 T HN 0.434 nan 8.240 nan 0.000 0.435 180 A N 1.145 123.884 122.820 -0.136 0.000 1.883 180 A HA -0.014 4.188 4.320 -0.197 0.000 0.217 180 A C 2.317 179.854 177.584 -0.079 0.000 1.186 180 A CA 1.302 53.294 52.037 -0.074 0.000 0.624 180 A CB -0.873 18.104 19.000 -0.038 0.000 0.822 180 A HN 0.473 nan 8.150 nan 0.000 0.444 181 L N -0.877 120.305 121.223 -0.069 0.000 2.056 181 L HA -0.144 4.078 4.340 -0.197 0.000 0.207 181 L C 2.937 179.760 176.870 -0.079 0.000 1.078 181 L CA 1.452 56.280 54.840 -0.020 0.000 0.749 181 L CB -0.451 41.690 42.059 0.137 0.000 0.901 181 L HN 0.508 nan 8.230 nan 0.000 0.433 182 S N 0.116 115.727 115.700 -0.148 0.000 2.359 182 S HA -0.190 4.162 4.470 -0.197 0.000 0.224 182 S C 1.877 176.421 174.600 -0.094 0.000 1.035 182 S CA 1.648 59.768 58.200 -0.134 0.000 1.018 182 S CB -0.200 62.758 63.200 -0.405 0.000 0.876 182 S HN 0.418 nan 8.310 nan 0.000 0.448 183 N N 1.319 119.951 118.700 -0.113 0.000 2.120 183 N HA -0.103 4.519 4.740 -0.197 0.000 0.188 183 N C 1.774 177.251 175.510 -0.055 0.000 1.024 183 N CA 1.370 54.379 53.050 -0.069 0.000 0.852 183 N CB -0.664 37.803 38.487 -0.033 0.000 1.003 183 N HN 0.668 nan 8.380 nan 0.000 0.424 184 E N 0.551 120.706 120.200 -0.074 0.000 2.058 184 E HA -0.178 4.054 4.350 -0.197 0.000 0.194 184 E C 1.778 178.306 176.600 -0.120 0.000 0.997 184 E CA 1.260 57.612 56.400 -0.079 0.000 0.801 184 E CB -0.040 29.616 29.700 -0.075 0.000 0.746 184 E HN 0.326 nan 8.360 nan 0.000 0.450 185 A N 0.161 122.865 122.820 -0.194 0.000 1.865 185 A HA -0.193 4.009 4.320 -0.197 0.000 0.217 185 A C 1.950 179.315 177.584 -0.365 0.000 1.191 185 A CA 1.622 53.454 52.037 -0.341 0.000 0.623 185 A CB -1.044 17.633 19.000 -0.538 0.000 0.826 185 A HN 0.469 nan 8.150 nan 0.000 0.444 186 Y N -0.122 120.077 120.300 -0.168 0.000 2.457 186 Y HA -0.045 4.388 4.550 -0.195 0.000 0.292 186 Y C 2.362 178.264 175.900 0.004 0.000 1.125 186 Y CA 1.299 59.323 58.100 -0.126 0.000 1.254 186 Y CB 0.011 38.319 38.460 -0.252 0.000 1.012 186 Y HN 0.239 nan 8.280 nan 0.000 0.555 187 K N -0.162 120.285 120.400 0.078 0.000 2.147 187 K HA -0.192 4.010 4.320 -0.197 0.000 0.205 187 K C 1.886 178.494 176.600 0.014 0.000 1.049 187 K CA 0.993 57.310 56.287 0.051 0.000 0.936 187 K CB -0.077 32.428 32.500 0.009 0.000 0.722 187 K HN 0.282 nan 8.250 nan 0.000 0.446 188 Q N 0.686 120.470 119.800 -0.027 0.000 2.364 188 Q HA -0.117 4.105 4.340 -0.197 0.000 0.207 188 Q C 0.785 176.764 176.000 -0.034 0.000 0.970 188 Q CA 1.099 56.874 55.803 -0.047 0.000 0.888 188 Q CB 0.129 28.818 28.738 -0.082 0.000 0.951 188 Q HN 0.320 nan 8.270 nan 0.000 0.469 189 D N -1.203 119.202 120.400 0.008 0.000 2.339 189 D HA 0.091 4.614 4.640 -0.197 0.000 0.217 189 D C 1.037 177.306 176.300 -0.051 0.000 1.050 189 D CA 0.817 54.838 54.000 0.036 0.000 0.856 189 D CB 0.755 41.661 40.800 0.177 0.000 0.922 189 D HN 0.381 nan 8.370 nan 0.000 0.518 190 G N 0.399 109.165 108.800 -0.057 0.000 2.179 190 G HA2 -0.247 3.595 3.960 -0.197 0.000 0.220 190 G HA3 -0.247 3.595 3.960 -0.197 0.000 0.220 190 G C 0.169 174.940 174.900 -0.216 0.000 0.990 190 G CA -0.517 44.489 45.100 -0.156 0.000 0.646 190 G HN 0.239 nan 8.290 nan 0.000 0.517 191 F N 1.560 121.525 119.950 0.025 0.000 2.389 191 F HA 0.417 4.825 4.527 -0.198 0.000 0.337 191 F C 2.238 178.024 175.800 -0.023 0.000 1.112 191 F CA 0.568 58.572 58.000 0.007 0.000 1.192 191 F CB 1.146 40.156 39.000 0.016 0.000 1.185 191 F HN 0.088 nan 8.300 nan 0.000 0.552 192 T N -1.908 112.734 114.554 0.148 0.000 2.833 192 T HA -0.029 4.203 4.350 -0.197 0.000 0.269 192 T C -0.163 174.557 174.700 0.034 0.000 1.054 192 T CA 1.458 63.593 62.100 0.057 0.000 1.135 192 T CB -0.636 68.249 68.868 0.028 0.000 0.869 192 T HN 0.739 nan 8.240 nan 0.000 0.466 193 D N -2.177 118.229 120.400 0.011 0.000 2.738 193 D HA 0.263 4.785 4.640 -0.197 0.000 0.308 193 D C 0.416 176.533 176.300 -0.305 0.000 1.311 193 D CA -0.477 53.467 54.000 -0.094 0.000 0.799 193 D CB 0.341 41.104 40.800 -0.062 0.000 1.332 193 D HN -0.199 nan 8.370 nan 0.000 0.441 194 T N -0.697 113.484 114.554 -0.623 0.000 2.788 194 T HA 0.016 4.248 4.350 -0.197 0.000 0.268 194 T C 1.893 175.786 174.700 -1.344 0.000 1.044 194 T CA 1.582 62.966 62.100 -1.194 0.000 1.139 194 T CB -0.742 67.012 68.868 -1.858 0.000 0.867 194 T HN 0.621 nan 8.240 nan 0.000 0.454 195 G N 1.202 109.399 108.800 -1.006 0.000 2.442 195 G HA2 -0.088 3.754 3.960 -0.197 0.000 0.219 195 G HA3 -0.088 3.754 3.960 -0.197 0.000 0.219 195 G C 1.808 176.408 174.900 -0.501 0.000 1.141 195 G CA 0.896 45.695 45.100 -0.502 0.000 0.763 195 G HN 0.595 nan 8.290 nan 0.000 0.554 196 A N -0.102 122.476 122.820 -0.402 0.000 1.930 196 A HA 0.000 4.202 4.320 -0.197 0.000 0.217 196 A C 2.189 179.541 177.584 -0.386 0.000 1.175 196 A CA 1.682 53.562 52.037 -0.263 0.000 0.627 196 A CB -0.627 18.364 19.000 -0.016 0.000 0.815 196 A HN 0.488 nan 8.150 nan 0.000 0.443 197 Y N -0.680 119.061 120.300 -0.933 0.000 2.145 197 Y HA -0.239 4.192 4.550 -0.198 0.000 0.286 197 Y C 2.069 177.334 175.900 -1.058 0.000 1.145 197 Y CA 1.698 58.917 58.100 -1.468 0.000 1.148 197 Y CB -0.524 36.872 38.460 -1.774 0.000 0.981 197 Y HN 0.422 nan 8.280 nan 0.000 0.507 198 W N 1.043 121.519 121.300 -1.373 0.000 2.335 198 W HA -0.155 4.388 4.660 -0.196 0.000 0.311 198 W C 2.582 178.430 176.519 -1.118 0.000 1.213 198 W CA 1.828 58.169 57.345 -1.672 0.000 1.274 198 W CB -1.110 27.911 29.460 -0.732 0.000 1.148 198 W HN 0.077 nan 8.180 nan 0.000 0.498 199 R N 0.382 120.670 120.500 -0.354 0.000 2.152 199 R HA -0.122 4.100 4.340 -0.197 0.000 0.232 199 R C 2.275 178.462 176.300 -0.188 0.000 1.117 199 R CA 1.717 57.720 56.100 -0.163 0.000 0.981 199 R CB -0.912 29.254 30.300 -0.224 0.000 0.870 199 R HN 0.194 nan 8.270 nan 0.000 0.451 200 S N -0.048 115.480 115.700 -0.288 0.000 2.469 200 S HA -0.132 4.220 4.470 -0.197 0.000 0.238 200 S C 1.367 175.968 174.600 0.003 0.000 0.998 200 S CA 0.417 58.569 58.200 -0.080 0.000 0.957 200 S CB -0.294 62.944 63.200 0.063 0.000 0.764 200 S HN 0.388 nan 8.310 nan 0.000 0.514 201 W N 1.043 122.214 121.300 -0.216 0.000 2.421 201 W HA 0.094 4.640 4.660 -0.191 0.000 0.270 201 W C 1.182 177.462 176.519 -0.399 0.000 1.233 201 W CA -0.013 57.127 57.345 -0.342 0.000 1.226 201 W CB -1.257 27.894 29.460 -0.514 0.000 1.121 201 W HN 0.469 nan 8.180 nan 0.000 0.579 202 Y N 1.271 121.547 120.300 -0.039 0.000 2.466 202 Y HA -0.055 4.379 4.550 -0.193 0.000 0.272 202 Y C 0.858 176.917 175.900 0.265 0.000 1.169 202 Y CA 0.447 58.508 58.100 -0.064 0.000 1.285 202 Y CB -1.035 36.998 38.460 -0.712 0.000 1.078 202 Y HN 0.048 nan 8.280 nan 0.000 0.523 203 N N -0.074 118.782 118.700 0.260 0.000 2.718 203 N HA -0.241 4.381 4.740 -0.197 0.000 0.268 203 N C -1.276 174.388 175.510 0.257 0.000 0.965 203 N CA 0.981 54.169 53.050 0.231 0.000 0.817 203 N CB -1.798 36.804 38.487 0.191 0.000 0.914 203 N HN 0.061 nan 8.380 nan 0.000 0.558 204 S N -0.157 115.705 115.700 0.270 0.000 2.707 204 S HA 0.427 4.779 4.470 -0.197 0.000 0.303 204 S C -1.561 173.185 174.600 0.243 0.000 1.132 204 S CA -0.992 57.384 58.200 0.293 0.000 1.046 204 S CB 2.383 65.866 63.200 0.472 0.000 1.004 204 S HN 0.227 nan 8.310 nan 0.000 0.483 205 P HA -0.023 nan 4.420 nan 0.000 0.230 205 P C 0.762 178.152 177.300 0.151 0.000 1.158 205 P CA 0.964 64.147 63.100 0.138 0.000 0.769 205 P CB 0.151 31.908 31.700 0.095 0.000 0.807 206 T N -2.042 112.626 114.554 0.191 0.000 3.228 206 T HA 0.156 4.388 4.350 -0.197 0.000 0.278 206 T C 0.863 175.706 174.700 0.239 0.000 1.014 206 T CA -0.694 61.511 62.100 0.175 0.000 0.904 206 T CB -0.863 68.085 68.868 0.134 0.000 1.110 206 T HN -0.271 nan 8.240 nan 0.000 0.541 207 F N 2.624 122.647 119.950 0.122 0.000 2.043 207 F HA -0.133 4.279 4.527 -0.192 0.000 0.297 207 F C 1.888 177.759 175.800 0.119 0.000 1.118 207 F CA 2.080 60.157 58.000 0.130 0.000 1.202 207 F CB -0.208 38.853 39.000 0.101 0.000 0.965 207 F HN 0.362 nan 8.300 nan 0.000 0.482 208 E N -0.527 119.663 120.200 -0.016 0.000 2.072 208 E HA -0.221 4.012 4.350 -0.197 0.000 0.191 208 E C 1.853 178.463 176.600 0.017 0.000 0.985 208 E CA 1.507 57.861 56.400 -0.076 0.000 0.801 208 E CB -0.333 29.363 29.700 -0.007 0.000 0.750 208 E HN 0.482 nan 8.360 nan 0.000 0.452 209 D N 0.628 121.065 120.400 0.062 0.000 2.117 209 D HA -0.132 4.390 4.640 -0.197 0.000 0.198 209 D C 1.461 177.828 176.300 0.111 0.000 0.982 209 D CA 0.996 55.051 54.000 0.092 0.000 0.828 209 D CB -0.037 40.814 40.800 0.086 0.000 0.967 209 D HN 0.049 nan 8.370 nan 0.000 0.464 210 D N -0.030 120.433 120.400 0.105 0.000 2.104 210 D HA -0.130 4.392 4.640 -0.197 0.000 0.194 210 D C 2.185 178.561 176.300 0.127 0.000 0.994 210 D CA 0.618 54.706 54.000 0.145 0.000 0.830 210 D CB -0.329 40.589 40.800 0.197 0.000 0.959 210 D HN 0.241 nan 8.370 nan 0.000 0.452 211 L N 0.411 121.629 121.223 -0.008 0.000 2.046 211 L HA -0.187 4.035 4.340 -0.197 0.000 0.208 211 L C 2.437 179.259 176.870 -0.080 0.000 1.077 211 L CA 1.126 55.928 54.840 -0.063 0.000 0.747 211 L CB -0.371 41.556 42.059 -0.219 0.000 0.896 211 L HN -0.033 nan 8.230 nan 0.000 0.432 212 E N -0.203 120.031 120.200 0.056 0.000 2.106 212 E HA -0.277 3.955 4.350 -0.197 0.000 0.192 212 E C 2.073 178.769 176.600 0.160 0.000 0.984 212 E CA 1.496 57.983 56.400 0.145 0.000 0.806 212 E CB -0.150 29.678 29.700 0.213 0.000 0.750 212 E HN 0.487 nan 8.360 nan 0.000 0.458 213 H N -0.281 118.838 119.070 0.080 0.000 2.353 213 H HA -0.001 4.435 4.556 -0.199 0.000 0.300 213 H C 1.945 177.318 175.328 0.076 0.000 1.090 213 H CA 1.938 58.034 56.048 0.080 0.000 1.327 213 H CB -0.199 29.609 29.762 0.078 0.000 1.383 213 H HN 0.191 nan 8.280 nan 0.000 0.508 214 L N -0.994 120.279 121.223 0.082 0.000 2.017 214 L HA -0.212 4.010 4.340 -0.197 0.000 0.208 214 L C 2.144 179.029 176.870 0.025 0.000 1.073 214 L CA 1.582 56.448 54.840 0.044 0.000 0.745 214 L CB -0.593 41.560 42.059 0.156 0.000 0.894 214 L HN 0.336 nan 8.230 nan 0.000 0.432 215 Y N 0.809 121.065 120.300 -0.073 0.000 2.224 215 Y HA -0.311 4.128 4.550 -0.185 0.000 0.289 215 Y C 2.717 178.598 175.900 -0.033 0.000 1.146 215 Y CA 1.650 59.690 58.100 -0.100 0.000 1.182 215 Y CB -0.186 38.020 38.460 -0.423 0.000 0.983 215 Y HN 0.205 nan 8.280 nan 0.000 0.524 216 Q N -0.431 119.369 119.800 0.000 0.000 2.181 216 Q HA -0.276 3.947 4.340 -0.197 0.000 0.205 216 Q C 2.122 178.036 176.000 -0.143 0.000 0.980 216 Q CA 1.966 57.740 55.803 -0.048 0.000 0.862 216 Q CB -0.170 28.559 28.738 -0.015 0.000 0.905 216 Q HN 0.649 nan 8.270 nan 0.000 0.429 217 Q N -0.239 119.448 119.800 -0.188 0.000 2.230 217 Q HA -0.051 4.171 4.340 -0.197 0.000 0.202 217 Q C 1.856 177.756 176.000 -0.167 0.000 0.963 217 Q CA 0.739 56.443 55.803 -0.166 0.000 0.866 217 Q CB 0.210 28.846 28.738 -0.169 0.000 0.931 217 Q HN 0.393 nan 8.270 nan 0.000 0.452 218 L N -0.131 120.947 121.223 -0.241 0.000 2.354 218 L HA -0.004 4.219 4.340 -0.197 0.000 0.212 218 L C 2.273 178.958 176.870 -0.308 0.000 1.091 218 L CA 0.370 55.050 54.840 -0.267 0.000 0.828 218 L CB -0.174 41.721 42.059 -0.274 0.000 0.973 218 L HN 0.198 nan 8.230 nan 0.000 0.461 219 E N 1.084 121.018 120.200 -0.444 0.000 2.097 219 E HA -0.229 4.003 4.350 -0.197 0.000 0.196 219 E C -0.623 175.944 176.600 -0.055 0.000 1.000 219 E CA 1.560 57.784 56.400 -0.292 0.000 0.804 219 E CB -0.541 29.034 29.700 -0.207 0.000 0.740 219 E HN 0.313 nan 8.360 nan 0.000 0.454 220 P HA -0.148 nan 4.420 nan 0.000 0.218 220 P C 1.189 178.479 177.300 -0.018 0.000 1.148 220 P CA 0.925 64.005 63.100 -0.033 0.000 0.822 220 P CB 0.026 31.700 31.700 -0.044 0.000 0.784 221 L N -2.344 118.854 121.223 -0.041 0.000 2.046 221 L HA -0.164 4.058 4.340 -0.197 0.000 0.208 221 L C 2.498 179.363 176.870 -0.009 0.000 1.077 221 L CA 1.739 56.548 54.840 -0.052 0.000 0.747 221 L CB -1.688 40.298 42.059 -0.121 0.000 0.896 221 L HN -0.048 nan 8.230 nan 0.000 0.432 222 Y N -0.221 120.034 120.300 -0.075 0.000 2.145 222 Y HA -0.220 4.213 4.550 -0.194 0.000 0.286 222 Y C 2.314 178.300 175.900 0.144 0.000 1.145 222 Y CA 1.459 59.564 58.100 0.008 0.000 1.148 222 Y CB -0.228 38.254 38.460 0.036 0.000 0.981 222 Y HN 0.037 nan 8.280 nan 0.000 0.507 223 L N 0.120 121.402 121.223 0.098 0.000 2.042 223 L HA -0.288 3.934 4.340 -0.197 0.000 0.210 223 L C 2.269 179.177 176.870 0.064 0.000 1.076 223 L CA 1.582 56.466 54.840 0.073 0.000 0.749 223 L CB -0.684 41.398 42.059 0.038 0.000 0.893 223 L HN 0.342 nan 8.230 nan 0.000 0.432 224 N N 0.031 118.752 118.700 0.034 0.000 2.142 224 N HA -0.159 4.463 4.740 -0.197 0.000 0.186 224 N C 1.877 177.442 175.510 0.092 0.000 1.023 224 N CA 1.051 54.132 53.050 0.052 0.000 0.852 224 N CB -0.091 38.405 38.487 0.015 0.000 0.998 224 N HN 0.166 nan 8.380 nan 0.000 0.424 225 L N 1.641 122.889 121.223 0.041 0.000 2.017 225 L HA -0.175 4.047 4.340 -0.197 0.000 0.208 225 L C 2.439 179.443 176.870 0.224 0.000 1.073 225 L CA 1.772 56.673 54.840 0.103 0.000 0.745 225 L CB -0.996 41.051 42.059 -0.021 0.000 0.894 225 L HN 0.297 nan 8.230 nan 0.000 0.432 226 H N -0.247 118.805 119.070 -0.031 0.000 2.290 226 H HA -0.183 4.258 4.556 -0.193 0.000 0.298 226 H C 1.921 177.327 175.328 0.130 0.000 1.087 226 H CA 1.936 58.032 56.048 0.079 0.000 1.291 226 H CB 0.029 29.718 29.762 -0.120 0.000 1.369 226 H HN 0.464 nan 8.280 nan 0.000 0.492 227 A N 0.581 123.573 122.820 0.286 0.000 1.902 227 A HA -0.187 4.015 4.320 -0.197 0.000 0.217 227 A C 2.456 180.114 177.584 0.124 0.000 1.181 227 A CA 1.439 53.593 52.037 0.195 0.000 0.623 227 A CB -1.266 17.840 19.000 0.176 0.000 0.818 227 A HN 0.491 nan 8.150 nan 0.000 0.443 228 F N 0.539 120.508 119.950 0.031 0.000 2.102 228 F HA -0.144 4.264 4.527 -0.198 0.000 0.298 228 F C 2.316 178.126 175.800 0.017 0.000 1.105 228 F CA 1.911 59.927 58.000 0.027 0.000 1.239 228 F CB -0.284 38.762 39.000 0.077 0.000 0.991 228 F HN 0.030 nan 8.300 nan 0.000 0.474 229 V N 0.756 120.748 119.914 0.131 0.000 2.343 229 V HA -0.291 3.711 4.120 -0.197 0.000 0.247 229 V C 2.573 178.559 176.094 -0.179 0.000 1.051 229 V CA 2.209 64.499 62.300 -0.017 0.000 1.036 229 V CB -0.756 31.114 31.823 0.079 0.000 0.654 229 V HN 0.299 nan 8.190 nan 0.000 0.451 230 R N 0.176 120.544 120.500 -0.220 0.000 2.091 230 R HA -0.246 3.976 4.340 -0.197 0.000 0.238 230 R C 2.459 178.675 176.300 -0.139 0.000 1.136 230 R CA 2.050 58.013 56.100 -0.228 0.000 0.959 230 R CB -0.251 29.903 30.300 -0.244 0.000 0.856 230 R HN 0.371 nan 8.270 nan 0.000 0.437 231 R N 0.569 120.975 120.500 -0.156 0.000 2.081 231 R HA -0.057 4.165 4.340 -0.197 0.000 0.235 231 R C 1.940 178.157 176.300 -0.138 0.000 1.131 231 R CA 1.954 57.961 56.100 -0.155 0.000 0.960 231 R CB -0.708 29.465 30.300 -0.211 0.000 0.856 231 R HN 0.335 nan 8.270 nan 0.000 0.436 232 A N 0.389 123.069 122.820 -0.233 0.000 1.902 232 A HA -0.067 4.135 4.320 -0.197 0.000 0.217 232 A C 2.262 179.797 177.584 -0.081 0.000 1.181 232 A CA 1.477 53.394 52.037 -0.200 0.000 0.623 232 A CB -0.565 18.284 19.000 -0.251 0.000 0.818 232 A HN 0.366 nan 8.150 nan 0.000 0.443 233 L N -1.424 119.773 121.223 -0.043 0.000 2.093 233 L HA -0.180 4.042 4.340 -0.197 0.000 0.208 233 L C 2.691 179.654 176.870 0.154 0.000 1.085 233 L CA 1.460 56.350 54.840 0.082 0.000 0.755 233 L CB -0.667 41.391 42.059 -0.002 0.000 0.904 233 L HN 0.610 nan 8.230 nan 0.000 0.435 234 H N 1.083 120.144 119.070 -0.015 0.000 2.387 234 H HA -0.122 4.316 4.556 -0.197 0.000 0.299 234 H C 2.224 177.540 175.328 -0.020 0.000 1.090 234 H CA 1.459 57.499 56.048 -0.013 0.000 1.332 234 H CB 0.243 29.961 29.762 -0.073 0.000 1.386 234 H HN 0.236 nan 8.280 nan 0.000 0.516 235 R N -0.130 120.367 120.500 -0.004 0.000 2.241 235 R HA -0.053 4.169 4.340 -0.197 0.000 0.224 235 R C 2.207 178.432 176.300 -0.126 0.000 1.101 235 R CA 1.082 57.139 56.100 -0.072 0.000 0.995 235 R CB 0.204 30.470 30.300 -0.056 0.000 0.870 235 R HN 0.308 nan 8.270 nan 0.000 0.463 236 R N -2.295 118.128 120.500 -0.129 0.000 2.257 236 R HA 0.119 4.342 4.340 -0.197 0.000 0.195 236 R C 1.000 177.114 176.300 -0.311 0.000 0.921 236 R CA 0.423 56.382 56.100 -0.236 0.000 1.069 236 R CB 0.343 30.459 30.300 -0.306 0.000 1.115 236 R HN 0.171 nan 8.270 nan 0.000 0.571 237 Y N -0.098 120.165 120.300 -0.061 0.000 2.503 237 Y HA 0.313 4.747 4.550 -0.195 0.000 0.277 237 Y C 1.128 177.018 175.900 -0.016 0.000 1.102 237 Y CA 0.647 58.759 58.100 0.020 0.000 1.261 237 Y CB 0.929 39.444 38.460 0.091 0.000 1.096 237 Y HN 0.175 nan 8.280 nan 0.000 0.546 238 G N 0.404 109.162 108.800 -0.070 0.000 2.661 238 G HA2 -0.275 3.567 3.960 -0.197 0.000 0.685 238 G HA3 -0.275 3.567 3.960 -0.197 0.000 0.685 238 G C -0.310 174.430 174.900 -0.267 0.000 1.298 238 G CA -0.168 44.784 45.100 -0.247 0.000 0.855 238 G HN 0.174 nan 8.290 nan 0.000 0.560 239 D N -0.748 119.502 120.400 -0.250 0.000 2.350 239 D HA -0.024 4.498 4.640 -0.197 0.000 0.216 239 D C 2.282 178.569 176.300 -0.022 0.000 0.968 239 D CA 1.406 55.391 54.000 -0.025 0.000 0.894 239 D CB 0.081 40.908 40.800 0.044 0.000 0.909 239 D HN 0.508 nan 8.370 nan 0.000 0.520 240 R N -1.254 119.175 120.500 -0.120 0.000 2.066 240 R HA -0.052 4.170 4.340 -0.197 0.000 0.224 240 R C 1.498 177.727 176.300 -0.118 0.000 1.122 240 R CA 0.947 56.925 56.100 -0.203 0.000 0.974 240 R CB -0.147 29.878 30.300 -0.458 0.000 0.871 240 R HN 0.291 nan 8.270 nan 0.000 0.435 241 Y N -0.439 119.876 120.300 0.026 0.000 2.510 241 Y HA 0.233 4.664 4.550 -0.197 0.000 0.273 241 Y C 0.231 176.279 175.900 0.246 0.000 1.119 241 Y CA -0.574 57.553 58.100 0.045 0.000 1.286 241 Y CB 0.839 39.168 38.460 -0.219 0.000 1.061 241 Y HN -0.048 nan 8.280 nan 0.000 0.542 242 I N 1.045 121.770 120.570 0.258 0.000 2.436 242 I HA 0.151 4.203 4.170 -0.197 0.000 0.289 242 I C -0.830 175.187 176.117 -0.167 0.000 1.010 242 I CA -0.781 60.577 61.300 0.095 0.000 1.098 242 I CB 1.359 39.444 38.000 0.141 0.000 1.266 242 I HN 0.065 nan 8.210 nan 0.000 0.434 243 N N 6.641 124.927 118.700 -0.690 0.000 2.457 243 N HA 0.298 4.920 4.740 -0.197 0.000 0.250 243 N C 0.688 175.916 175.510 -0.469 0.000 0.982 243 N CA -0.326 52.209 53.050 -0.860 0.000 0.941 243 N CB 1.186 38.547 38.487 -1.878 0.000 1.120 243 N HN 0.550 nan 8.380 nan 0.000 0.505 244 L N 2.664 123.679 121.223 -0.347 0.000 2.549 244 L HA -0.026 4.196 4.340 -0.197 0.000 0.230 244 L C 1.375 178.145 176.870 -0.166 0.000 1.162 244 L CA 0.885 55.563 54.840 -0.270 0.000 0.834 244 L CB -0.004 41.842 42.059 -0.356 0.000 0.947 244 L HN 0.417 nan 8.230 nan 0.000 0.452 245 R N -0.913 119.477 120.500 -0.184 0.000 2.565 245 R HA 0.259 4.482 4.340 -0.197 0.000 0.347 245 R C 0.550 176.836 176.300 -0.023 0.000 1.010 245 R CA -0.006 56.046 56.100 -0.081 0.000 1.126 245 R CB 1.012 31.257 30.300 -0.091 0.000 1.331 245 R HN 0.194 nan 8.270 nan 0.000 0.552 246 G N 1.373 110.113 108.800 -0.101 0.000 2.788 246 G HA2 0.525 4.367 3.960 -0.197 0.000 0.293 246 G HA3 0.525 4.367 3.960 -0.197 0.000 0.293 246 G C -2.906 172.081 174.900 0.145 0.000 1.305 246 G CA -1.595 43.508 45.100 0.006 0.000 1.005 246 G HN -0.235 nan 8.290 nan 0.000 0.496 247 P HA 0.273 nan 4.420 nan 0.000 0.272 247 P C -0.295 177.061 177.300 0.093 0.000 1.230 247 P CA -0.248 62.877 63.100 0.042 0.000 0.788 247 P CB 0.824 32.473 31.700 -0.084 0.000 0.949 248 I N 2.989 123.563 120.570 0.008 0.000 2.395 248 I HA 0.204 4.256 4.170 -0.197 0.000 0.289 248 I C -2.012 174.076 176.117 -0.049 0.000 1.023 248 I CA -2.453 58.809 61.300 -0.062 0.000 1.350 248 I CB 0.606 38.452 38.000 -0.256 0.000 1.409 248 I HN 0.140 nan 8.210 nan 0.000 0.507 249 P HA -0.049 nan 4.420 nan 0.000 0.264 249 P C 0.232 177.422 177.300 -0.185 0.000 1.193 249 P CA 0.121 63.170 63.100 -0.085 0.000 0.763 249 P CB 0.811 32.529 31.700 0.029 0.000 0.810 250 A N 3.851 126.526 122.820 -0.240 0.000 2.172 250 A HA -0.177 4.026 4.320 -0.197 0.000 0.216 250 A C 1.417 178.866 177.584 -0.225 0.000 1.154 250 A CA 1.230 53.166 52.037 -0.169 0.000 0.701 250 A CB -1.123 17.903 19.000 0.043 0.000 0.789 250 A HN 0.721 nan 8.150 nan 0.000 0.465 251 H N -1.501 117.191 119.070 -0.630 0.000 2.551 251 H HA 0.295 4.733 4.556 -0.197 0.000 0.271 251 H C 0.944 176.055 175.328 -0.362 0.000 0.984 251 H CA 0.036 55.797 56.048 -0.478 0.000 1.164 251 H CB -0.586 28.810 29.762 -0.610 0.000 1.437 251 H HN 0.431 nan 8.280 nan 0.000 0.550 252 L N 0.764 121.589 121.223 -0.663 0.000 2.628 252 L HA 0.230 4.452 4.340 -0.197 0.000 0.229 252 L C 1.044 177.667 176.870 -0.412 0.000 1.137 252 L CA 0.082 54.525 54.840 -0.662 0.000 0.909 252 L CB 0.265 41.821 42.059 -0.839 0.000 1.137 252 L HN 0.117 nan 8.230 nan 0.000 0.470 253 L N -0.395 120.615 121.223 -0.355 0.000 2.728 253 L HA 0.354 4.576 4.340 -0.197 0.000 0.238 253 L C 1.379 178.169 176.870 -0.135 0.000 1.143 253 L CA 0.358 54.960 54.840 -0.396 0.000 0.937 253 L CB 0.333 41.943 42.059 -0.749 0.000 1.225 253 L HN 0.352 nan 8.230 nan 0.000 0.507 254 G N -0.295 108.459 108.800 -0.076 0.000 2.176 254 G HA2 -0.242 3.601 3.960 -0.197 0.000 0.232 254 G HA3 -0.242 3.601 3.960 -0.197 0.000 0.232 254 G C -0.119 174.799 174.900 0.032 0.000 0.986 254 G CA 0.111 45.212 45.100 0.003 0.000 0.643 254 G HN 0.411 nan 8.290 nan 0.000 0.522 255 D N -0.905 119.519 120.400 0.039 0.000 2.859 255 D HA 0.413 4.935 4.640 -0.197 0.000 0.223 255 D C 1.315 177.606 176.300 -0.016 0.000 1.218 255 D CA -0.418 53.620 54.000 0.062 0.000 0.850 255 D CB 1.425 42.344 40.800 0.198 0.000 1.656 255 D HN -0.050 nan 8.370 nan 0.000 0.484 256 M N 2.784 122.218 119.600 -0.277 0.000 2.195 256 M HA -0.046 4.317 4.480 -0.197 0.000 0.260 256 M C 0.694 176.710 176.300 -0.473 0.000 1.066 256 M CA 1.688 56.610 55.300 -0.630 0.000 1.089 256 M CB -0.092 31.550 32.600 -1.597 0.000 1.377 256 M HN 0.529 nan 8.290 nan 0.000 0.411 257 W N -0.763 120.628 121.300 0.152 0.000 3.005 257 W HA 0.570 5.110 4.660 -0.200 0.000 0.374 257 W C 1.058 177.532 176.519 -0.075 0.000 1.076 257 W CA 0.201 57.575 57.345 0.048 0.000 1.794 257 W CB -0.869 28.461 29.460 -0.216 0.000 1.113 257 W HN 0.403 nan 8.180 nan 0.000 0.584 258 A N 1.957 124.902 122.820 0.209 0.000 2.799 258 A HA -0.345 3.857 4.320 -0.197 0.000 0.287 258 A C 1.612 179.408 177.584 0.354 0.000 1.484 258 A CA 2.070 54.270 52.037 0.271 0.000 0.813 258 A CB -2.052 17.089 19.000 0.235 0.000 1.009 258 A HN 0.612 nan 8.150 nan 0.000 0.545 259 Q N -1.103 118.791 119.800 0.155 0.000 2.376 259 Q HA 0.361 4.583 4.340 -0.197 0.000 0.206 259 Q C 0.741 176.910 176.000 0.281 0.000 0.921 259 Q CA 1.065 56.891 55.803 0.039 0.000 0.911 259 Q CB 0.207 28.818 28.738 -0.212 0.000 1.032 259 Q HN 1.110 nan 8.270 nan 0.000 0.510 260 S N -0.606 115.297 115.700 0.337 0.000 2.571 260 S HA 0.403 4.756 4.470 -0.197 0.000 0.284 260 S C -1.392 173.501 174.600 0.489 0.000 1.128 260 S CA -0.829 57.548 58.200 0.295 0.000 0.970 260 S CB 0.769 64.101 63.200 0.221 0.000 1.039 260 S HN 0.435 nan 8.310 nan 0.000 0.485 261 W N 2.861 124.247 121.300 0.143 0.000 3.123 261 W HA 0.254 4.794 4.660 -0.200 0.000 0.383 261 W C 1.375 177.962 176.519 0.114 0.000 1.102 261 W CA -0.513 56.903 57.345 0.118 0.000 1.865 261 W CB -1.004 28.532 29.460 0.126 0.000 1.111 261 W HN 0.861 nan 8.180 nan 0.000 0.621 262 E N 0.159 120.530 120.200 0.284 0.000 2.209 262 E HA -0.232 4.000 4.350 -0.197 0.000 0.196 262 E C 1.437 178.150 176.600 0.187 0.000 0.993 262 E CA 1.480 57.993 56.400 0.189 0.000 0.819 262 E CB -0.770 28.981 29.700 0.084 0.000 0.745 262 E HN -0.010 nan 8.360 nan 0.000 0.477 263 N N 0.871 119.669 118.700 0.163 0.000 2.381 263 N HA -0.073 4.549 4.740 -0.197 0.000 0.182 263 N C 1.477 177.060 175.510 0.122 0.000 1.025 263 N CA 1.372 54.494 53.050 0.120 0.000 0.888 263 N CB -0.097 38.437 38.487 0.078 0.000 0.965 263 N HN 0.594 nan 8.380 nan 0.000 0.438 264 I N -2.953 117.706 120.570 0.148 0.000 3.891 264 I HA 0.135 4.187 4.170 -0.197 0.000 0.331 264 I C 1.667 177.878 176.117 0.157 0.000 1.406 264 I CA -0.437 60.929 61.300 0.110 0.000 1.139 264 I CB -0.353 37.675 38.000 0.046 0.000 1.056 264 I HN -0.207 nan 8.210 nan 0.000 0.399 265 Y N 3.680 124.031 120.300 0.085 0.000 2.151 265 Y HA -0.353 4.079 4.550 -0.197 0.000 0.284 265 Y C 2.327 178.266 175.900 0.066 0.000 1.166 265 Y CA 2.255 60.408 58.100 0.090 0.000 1.163 265 Y CB -0.323 38.185 38.460 0.081 0.000 0.974 265 Y HN 0.591 nan 8.280 nan 0.000 0.511 266 D N -0.706 119.663 120.400 -0.051 0.000 2.263 266 D HA -0.235 4.287 4.640 -0.197 0.000 0.208 266 D C 1.868 178.081 176.300 -0.145 0.000 0.971 266 D CA 1.542 55.453 54.000 -0.148 0.000 0.867 266 D CB -0.529 40.252 40.800 -0.032 0.000 0.929 266 D HN 0.475 nan 8.370 nan 0.000 0.492 267 M N 0.534 120.080 119.600 -0.089 0.000 2.447 267 M HA -0.037 4.325 4.480 -0.197 0.000 0.264 267 M C 2.101 178.341 176.300 -0.099 0.000 1.095 267 M CA 0.682 55.931 55.300 -0.085 0.000 1.125 267 M CB 0.542 33.111 32.600 -0.052 0.000 1.389 267 M HN 0.067 nan 8.290 nan 0.000 0.459 268 V N -4.132 115.732 119.914 -0.083 0.000 3.645 268 V HA 0.216 4.218 4.120 -0.197 0.000 0.275 268 V C 0.897 177.003 176.094 0.021 0.000 1.356 268 V CA -0.400 61.900 62.300 -0.001 0.000 1.051 268 V CB -0.179 31.740 31.823 0.160 0.000 0.828 268 V HN 0.086 nan 8.190 nan 0.000 0.441 269 V N 5.095 124.862 119.914 -0.246 0.000 2.506 269 V HA 0.135 4.137 4.120 -0.197 0.000 0.296 269 V C -0.160 175.845 176.094 -0.148 0.000 1.004 269 V CA -0.064 62.041 62.300 -0.326 0.000 1.150 269 V CB 1.191 32.597 31.823 -0.694 0.000 0.911 269 V HN 0.429 nan 8.190 nan 0.000 0.476 270 P HA -0.025 nan 4.420 nan 0.000 0.219 270 P C 0.100 176.980 177.300 -0.700 0.000 1.150 270 P CA 1.149 64.019 63.100 -0.384 0.000 0.814 270 P CB 0.106 31.426 31.700 -0.633 0.000 0.787 271 F N -0.568 119.390 119.950 0.012 0.000 2.449 271 F HA 0.395 4.805 4.527 -0.196 0.000 0.344 271 F C -1.734 174.067 175.800 0.002 0.000 1.180 271 F CA -2.303 55.705 58.000 0.014 0.000 1.209 271 F CB 1.066 40.066 39.000 0.000 0.000 1.440 271 F HN -0.163 nan 8.300 nan 0.000 0.526 272 P HA -0.132 nan 4.420 nan 0.000 0.219 272 P C 1.455 178.798 177.300 0.072 0.000 1.146 272 P CA 1.909 65.034 63.100 0.042 0.000 0.808 272 P CB 0.046 31.747 31.700 0.001 0.000 0.779 273 D N -0.702 119.756 120.400 0.098 0.000 2.348 273 D HA -0.088 4.434 4.640 -0.197 0.000 0.216 273 D C 0.989 177.331 176.300 0.071 0.000 0.970 273 D CA 0.785 54.831 54.000 0.077 0.000 0.889 273 D CB -0.452 40.395 40.800 0.078 0.000 0.912 273 D HN 0.116 nan 8.370 nan 0.000 0.524 274 K N 0.487 120.943 120.400 0.094 0.000 2.138 274 K HA 0.415 4.617 4.320 -0.197 0.000 0.251 274 K C -2.430 174.215 176.600 0.076 0.000 1.015 274 K CA -2.358 53.973 56.287 0.074 0.000 0.917 274 K CB 0.125 32.677 32.500 0.087 0.000 1.021 274 K HN 0.065 nan 8.250 nan 0.000 0.485 275 P HA -0.028 nan 4.420 nan 0.000 0.264 275 P C -0.306 177.054 177.300 0.101 0.000 1.183 275 P CA 0.002 63.141 63.100 0.065 0.000 0.763 275 P CB 0.240 31.966 31.700 0.044 0.000 0.807 276 N N 2.697 121.457 118.700 0.099 0.000 2.416 276 N HA 0.020 4.642 4.740 -0.197 0.000 0.265 276 N C 0.669 176.260 175.510 0.134 0.000 1.195 276 N CA 0.326 53.461 53.050 0.141 0.000 0.943 276 N CB -0.126 38.426 38.487 0.109 0.000 1.115 276 N HN 0.324 nan 8.380 nan 0.000 0.481 277 L N 1.001 122.338 121.223 0.190 0.000 2.418 277 L HA 0.085 4.307 4.340 -0.197 0.000 0.218 277 L C 0.542 177.413 176.870 0.002 0.000 1.125 277 L CA 0.356 55.251 54.840 0.092 0.000 0.835 277 L CB -0.232 41.889 42.059 0.103 0.000 0.953 277 L HN 0.526 nan 8.230 nan 0.000 0.454 278 D N 0.165 120.588 120.400 0.039 0.000 2.344 278 D HA 0.028 4.550 4.640 -0.197 0.000 0.253 278 D C 0.698 176.998 176.300 0.000 0.000 1.255 278 D CA 0.223 54.223 54.000 -0.000 0.000 0.894 278 D CB 1.692 42.550 40.800 0.097 0.000 1.067 278 D HN -0.209 nan 8.370 nan 0.000 0.492 279 V N 3.719 123.600 119.914 -0.055 0.000 3.649 279 V HA -0.090 3.912 4.120 -0.197 0.000 0.275 279 V C 2.086 178.102 176.094 -0.128 0.000 1.281 279 V CA 0.811 63.056 62.300 -0.091 0.000 1.143 279 V CB -0.127 31.616 31.823 -0.133 0.000 0.892 279 V HN 0.624 nan 8.190 nan 0.000 0.441 280 T N 0.915 115.412 114.554 -0.095 0.000 2.635 280 T HA -0.243 3.989 4.350 -0.197 0.000 0.267 280 T C 2.146 176.802 174.700 -0.074 0.000 1.040 280 T CA 2.223 64.268 62.100 -0.093 0.000 1.156 280 T CB -0.321 68.519 68.868 -0.046 0.000 0.863 280 T HN 0.748 nan 8.240 nan 0.000 0.430 281 S N 0.953 116.631 115.700 -0.036 0.000 2.399 281 S HA -0.138 4.214 4.470 -0.197 0.000 0.231 281 S C 2.118 176.704 174.600 -0.023 0.000 1.022 281 S CA 1.608 59.797 58.200 -0.017 0.000 0.983 281 S CB -1.007 62.194 63.200 0.002 0.000 0.803 281 S HN 0.480 nan 8.310 nan 0.000 0.480 282 T N 2.329 116.856 114.554 -0.045 0.000 2.857 282 T HA 0.127 4.359 4.350 -0.197 0.000 0.266 282 T C 1.809 176.468 174.700 -0.069 0.000 1.048 282 T CA 1.476 63.552 62.100 -0.041 0.000 1.139 282 T CB -0.382 68.458 68.868 -0.046 0.000 0.874 282 T HN 0.385 nan 8.240 nan 0.000 0.455 283 M N 0.499 119.975 119.600 -0.207 0.000 2.117 283 M HA -0.013 4.349 4.480 -0.197 0.000 0.262 283 M C 2.140 178.440 176.300 0.001 0.000 1.065 283 M CA 1.573 56.661 55.300 -0.352 0.000 1.114 283 M CB -0.587 31.691 32.600 -0.536 0.000 1.361 283 M HN 0.191 nan 8.290 nan 0.000 0.408 284 L N -0.271 120.952 121.223 -0.000 0.000 1.994 284 L HA -0.252 3.970 4.340 -0.197 0.000 0.208 284 L C 2.745 179.656 176.870 0.068 0.000 1.071 284 L CA 1.645 56.516 54.840 0.050 0.000 0.745 284 L CB -0.912 41.163 42.059 0.026 0.000 0.892 284 L HN 0.426 nan 8.230 nan 0.000 0.431 285 Q N 0.215 120.045 119.800 0.050 0.000 2.096 285 Q HA -0.287 3.935 4.340 -0.197 0.000 0.204 285 Q C 2.089 178.135 176.000 0.077 0.000 0.982 285 Q CA 1.853 57.688 55.803 0.053 0.000 0.850 285 Q CB -0.092 28.669 28.738 0.038 0.000 0.901 285 Q HN 0.563 nan 8.270 nan 0.000 0.422 286 Q N -0.911 118.966 119.800 0.127 0.000 2.378 286 Q HA 0.049 4.271 4.340 -0.197 0.000 0.205 286 Q C 0.604 176.680 176.000 0.128 0.000 0.954 286 Q CA 0.498 56.397 55.803 0.161 0.000 0.901 286 Q CB 0.362 29.283 28.738 0.305 0.000 0.981 286 Q HN 0.684 nan 8.270 nan 0.000 0.483 287 G N 0.570 109.465 108.800 0.158 0.000 2.204 287 G HA2 -0.207 3.635 3.960 -0.197 0.000 0.244 287 G HA3 -0.207 3.635 3.960 -0.197 0.000 0.244 287 G C -0.711 174.234 174.900 0.076 0.000 1.062 287 G CA -0.348 44.812 45.100 0.100 0.000 0.798 287 G HN 0.201 nan 8.290 nan 0.000 0.496 288 W N 0.343 121.577 121.300 -0.110 0.000 2.193 288 W HA 0.539 5.082 4.660 -0.196 0.000 0.338 288 W C 0.848 177.433 176.519 0.109 0.000 1.310 288 W CA 0.196 57.478 57.345 -0.105 0.000 1.243 288 W CB 0.519 29.967 29.460 -0.020 0.000 1.165 288 W HN 0.235 nan 8.180 nan 0.000 0.566 289 Q N 1.170 121.314 119.800 0.573 0.000 2.552 289 Q HA 0.511 4.733 4.340 -0.197 0.000 0.289 289 Q C 1.055 177.315 176.000 0.433 0.000 1.097 289 Q CA -0.360 55.711 55.803 0.446 0.000 0.812 289 Q CB 1.222 30.169 28.738 0.348 0.000 1.460 289 Q HN 0.488 nan 8.270 nan 0.000 0.452 290 A N 0.394 123.411 122.820 0.328 0.000 1.892 290 A HA -0.221 3.981 4.320 -0.197 0.000 0.218 290 A C 1.896 179.757 177.584 0.461 0.000 1.188 290 A CA 2.777 55.053 52.037 0.398 0.000 0.631 290 A CB -0.927 18.270 19.000 0.329 0.000 0.822 290 A HN 0.784 nan 8.150 nan 0.000 0.447 291 T N -0.588 114.115 114.554 0.247 0.000 2.665 291 T HA -0.206 4.026 4.350 -0.197 0.000 0.268 291 T C 1.685 176.452 174.700 0.112 0.000 1.035 291 T CA 2.138 64.318 62.100 0.134 0.000 1.151 291 T CB -0.550 68.251 68.868 -0.113 0.000 0.862 291 T HN 0.779 nan 8.240 nan 0.000 0.438 292 H N 0.777 119.933 119.070 0.143 0.000 2.321 292 H HA 0.040 4.478 4.556 -0.197 0.000 0.300 292 H C 2.381 177.817 175.328 0.180 0.000 1.087 292 H CA 1.535 57.588 56.048 0.009 0.000 1.319 292 H CB -0.368 29.234 29.762 -0.267 0.000 1.379 292 H HN 0.278 nan 8.280 nan 0.000 0.501 293 M N -0.542 119.354 119.600 0.494 0.000 2.080 293 M HA -0.160 4.202 4.480 -0.197 0.000 0.260 293 M C 1.558 178.012 176.300 0.257 0.000 1.068 293 M CA 1.636 57.202 55.300 0.444 0.000 1.109 293 M CB -0.334 32.469 32.600 0.339 0.000 1.342 293 M HN 0.158 nan 8.290 nan 0.000 0.405 294 F N 0.044 120.176 119.950 0.302 0.000 2.186 294 F HA -0.111 4.298 4.527 -0.197 0.000 0.299 294 F C 2.605 178.641 175.800 0.392 0.000 1.090 294 F CA 1.126 59.327 58.000 0.335 0.000 1.307 294 F CB -0.323 38.954 39.000 0.462 0.000 1.019 294 F HN -0.004 nan 8.300 nan 0.000 0.489 295 R N 0.007 120.806 120.500 0.499 0.000 2.092 295 R HA -0.065 4.157 4.340 -0.197 0.000 0.231 295 R C 2.286 178.743 176.300 0.261 0.000 1.119 295 R CA 0.963 57.256 56.100 0.321 0.000 0.970 295 R CB -1.143 29.215 30.300 0.096 0.000 0.864 295 R HN 0.207 nan 8.270 nan 0.000 0.440 296 V N 1.249 121.315 119.914 0.254 0.000 2.358 296 V HA -0.194 3.809 4.120 -0.197 0.000 0.246 296 V C 2.535 178.809 176.094 0.300 0.000 1.047 296 V CA 1.760 64.229 62.300 0.280 0.000 1.035 296 V CB -0.802 31.245 31.823 0.373 0.000 0.658 296 V HN 0.292 nan 8.190 nan 0.000 0.452 297 A N -0.281 122.628 122.820 0.149 0.000 1.877 297 A HA -0.289 3.913 4.320 -0.197 0.000 0.216 297 A C 2.299 180.050 177.584 0.278 0.000 1.186 297 A CA 2.039 54.006 52.037 -0.117 0.000 0.620 297 A CB -0.577 18.090 19.000 -0.555 0.000 0.822 297 A HN 0.615 nan 8.150 nan 0.000 0.443 298 E N -0.542 119.833 120.200 0.293 0.000 2.085 298 E HA -0.261 3.971 4.350 -0.197 0.000 0.194 298 E C 2.036 178.850 176.600 0.358 0.000 0.994 298 E CA 1.361 57.955 56.400 0.322 0.000 0.801 298 E CB -0.150 29.749 29.700 0.332 0.000 0.743 298 E HN 0.617 nan 8.360 nan 0.000 0.453 299 E N -0.039 120.357 120.200 0.327 0.000 2.150 299 E HA -0.175 4.058 4.350 -0.197 0.000 0.193 299 E C 1.841 178.658 176.600 0.362 0.000 0.985 299 E CA 0.648 57.224 56.400 0.293 0.000 0.814 299 E CB -0.282 29.573 29.700 0.259 0.000 0.752 299 E HN 0.343 nan 8.360 nan 0.000 0.466 300 F N 0.005 120.140 119.950 0.308 0.000 2.102 300 F HA -0.224 4.186 4.527 -0.196 0.000 0.298 300 F C 2.007 177.859 175.800 0.086 0.000 1.105 300 F CA 1.458 59.618 58.000 0.268 0.000 1.239 300 F CB -0.310 38.771 39.000 0.135 0.000 0.991 300 F HN -0.021 nan 8.300 nan 0.000 0.474 301 F N 0.372 120.529 119.950 0.345 0.000 2.126 301 F HA -0.255 4.154 4.527 -0.197 0.000 0.299 301 F C 2.801 178.634 175.800 0.055 0.000 1.096 301 F CA 1.942 60.039 58.000 0.161 0.000 1.255 301 F CB -1.252 37.777 39.000 0.048 0.000 0.997 301 F HN 0.033 nan 8.300 nan 0.000 0.479 302 T N -2.952 111.742 114.554 0.233 0.000 2.951 302 T HA -0.150 4.083 4.350 -0.197 0.000 0.268 302 T C 2.108 176.805 174.700 -0.005 0.000 1.073 302 T CA 0.985 63.143 62.100 0.097 0.000 1.134 302 T CB -0.845 68.076 68.868 0.089 0.000 0.884 302 T HN 0.327 nan 8.240 nan 0.000 0.479 303 S N 1.986 117.647 115.700 -0.066 0.000 2.419 303 S HA 0.043 4.395 4.470 -0.197 0.000 0.233 303 S C 1.832 176.284 174.600 -0.248 0.000 1.016 303 S CA 0.623 58.663 58.200 -0.267 0.000 0.974 303 S CB -0.908 61.932 63.200 -0.600 0.000 0.786 303 S HN 0.594 nan 8.310 nan 0.000 0.492 304 L N 0.787 121.917 121.223 -0.156 0.000 2.612 304 L HA 0.297 4.520 4.340 -0.197 0.000 0.230 304 L C 0.516 177.348 176.870 -0.063 0.000 1.140 304 L CA 0.200 54.973 54.840 -0.112 0.000 0.896 304 L CB -0.801 41.222 42.059 -0.059 0.000 1.065 304 L HN 0.310 nan 8.230 nan 0.000 0.447 305 E N 0.224 120.393 120.200 -0.051 0.000 2.476 305 E HA -0.212 4.020 4.350 -0.197 0.000 0.251 305 E C -0.118 176.476 176.600 -0.010 0.000 1.130 305 E CA 0.125 56.506 56.400 -0.031 0.000 0.736 305 E CB -1.374 28.300 29.700 -0.044 0.000 1.298 305 E HN 0.466 nan 8.360 nan 0.000 0.400 306 L N -0.332 120.906 121.223 0.024 0.000 2.472 306 L HA 0.376 4.599 4.340 -0.197 0.000 0.256 306 L C 0.960 177.839 176.870 0.015 0.000 1.111 306 L CA -0.776 54.083 54.840 0.032 0.000 0.800 306 L CB 0.910 43.037 42.059 0.113 0.000 1.286 306 L HN -0.105 nan 8.230 nan 0.000 0.479 307 S N 1.134 116.810 115.700 -0.040 0.000 2.565 307 S HA 0.261 4.613 4.470 -0.197 0.000 0.276 307 S C -2.203 172.348 174.600 -0.081 0.000 1.326 307 S CA -0.927 57.230 58.200 -0.072 0.000 1.045 307 S CB 0.728 63.850 63.200 -0.128 0.000 0.918 307 S HN 0.353 nan 8.310 nan 0.000 0.505 308 P HA 0.148 nan 4.420 nan 0.000 0.274 308 P C -0.592 176.652 177.300 -0.093 0.000 1.256 308 P CA -0.533 62.562 63.100 -0.008 0.000 0.795 308 P CB 0.404 32.142 31.700 0.065 0.000 1.038 309 M N 1.492 121.035 119.600 -0.095 0.000 2.219 309 M HA 0.227 4.589 4.480 -0.197 0.000 0.353 309 M C -1.850 174.461 176.300 0.017 0.000 1.304 309 M CA -1.963 53.148 55.300 -0.315 0.000 1.115 309 M CB -0.608 31.463 32.600 -0.881 0.000 1.664 309 M HN 0.254 nan 8.290 nan 0.000 0.459 310 P HA 0.269 nan 4.420 nan 0.000 0.276 310 P C -2.255 175.205 177.300 0.268 0.000 1.252 310 P CA -1.244 61.943 63.100 0.145 0.000 0.802 310 P CB -0.177 31.606 31.700 0.138 0.000 1.035 311 P HA -0.196 nan 4.420 nan 0.000 0.216 311 P C 1.291 178.711 177.300 0.199 0.000 1.153 311 P CA 1.685 64.943 63.100 0.263 0.000 0.858 311 P CB -0.080 31.706 31.700 0.143 0.000 0.789 312 E N -1.598 118.672 120.200 0.118 0.000 2.160 312 E HA -0.189 4.043 4.350 -0.197 0.000 0.195 312 E C 1.721 178.316 176.600 -0.008 0.000 0.991 312 E CA 0.928 57.340 56.400 0.021 0.000 0.810 312 E CB -1.078 28.611 29.700 -0.018 0.000 0.742 312 E HN 0.301 nan 8.360 nan 0.000 0.466 313 F N -0.816 119.073 119.950 -0.101 0.000 2.102 313 F HA -0.159 4.250 4.527 -0.197 0.000 0.298 313 F C 1.540 177.166 175.800 -0.289 0.000 1.105 313 F CA 1.455 59.309 58.000 -0.243 0.000 1.239 313 F CB -0.312 38.457 39.000 -0.384 0.000 0.991 313 F HN 0.027 nan 8.300 nan 0.000 0.474 314 W N 0.918 122.261 121.300 0.072 0.000 2.388 314 W HA -0.094 4.448 4.660 -0.196 0.000 0.294 314 W C 2.325 178.748 176.519 -0.160 0.000 1.212 314 W CA 0.823 58.129 57.345 -0.065 0.000 1.271 314 W CB -0.311 29.196 29.460 0.078 0.000 1.126 314 W HN -0.036 nan 8.180 nan 0.000 0.535 315 E N -0.628 119.615 120.200 0.072 0.000 2.158 315 E HA -0.039 4.193 4.350 -0.197 0.000 0.191 315 E C 2.336 178.872 176.600 -0.107 0.000 0.982 315 E CA 1.363 57.757 56.400 -0.009 0.000 0.823 315 E CB -0.699 28.997 29.700 -0.007 0.000 0.766 315 E HN 0.391 nan 8.360 nan 0.000 0.468 316 G N 0.546 109.216 108.800 -0.217 0.000 2.656 316 G HA2 -0.025 3.817 3.960 -0.197 0.000 0.211 316 G HA3 -0.025 3.817 3.960 -0.197 0.000 0.211 316 G C 0.877 175.607 174.900 -0.283 0.000 1.137 316 G CA -0.143 44.772 45.100 -0.308 0.000 0.802 316 G HN 0.049 nan 8.290 nan 0.000 0.527 317 S N 0.366 115.827 115.700 -0.398 0.000 2.585 317 S HA 0.389 4.742 4.470 -0.197 0.000 0.273 317 S C -0.109 174.430 174.600 -0.102 0.000 1.339 317 S CA -0.151 57.849 58.200 -0.334 0.000 1.028 317 S CB 1.300 63.957 63.200 -0.904 0.000 0.906 317 S HN 0.232 nan 8.310 nan 0.000 0.528 318 M N 3.857 123.478 119.600 0.035 0.000 2.047 318 M HA 0.333 4.695 4.480 -0.197 0.000 0.342 318 M C -0.706 175.541 176.300 -0.089 0.000 1.058 318 M CA -0.321 54.958 55.300 -0.036 0.000 0.991 318 M CB -0.010 32.541 32.600 -0.081 0.000 1.474 318 M HN 0.637 nan 8.290 nan 0.000 0.419 319 L N 2.805 123.950 121.223 -0.129 0.000 2.664 319 L HA 0.374 4.596 4.340 -0.197 0.000 0.233 319 L C 0.029 176.916 176.870 0.028 0.000 1.113 319 L CA 0.238 54.986 54.840 -0.154 0.000 0.896 319 L CB 0.305 42.133 42.059 -0.385 0.000 1.163 319 L HN 0.663 nan 8.230 nan 0.000 0.497 320 E N 0.192 120.405 120.200 0.020 0.000 2.367 320 E HA 0.260 4.492 4.350 -0.197 0.000 0.273 320 E C -0.949 175.664 176.600 0.022 0.000 0.903 320 E CA -0.866 55.564 56.400 0.050 0.000 0.764 320 E CB 2.609 32.340 29.700 0.051 0.000 1.252 320 E HN -0.102 nan 8.360 nan 0.000 0.446 321 K N 2.614 123.031 120.400 0.028 0.000 2.436 321 K HA 0.120 4.322 4.320 -0.197 0.000 0.282 321 K C -2.279 174.324 176.600 0.005 0.000 1.044 321 K CA -1.172 55.122 56.287 0.011 0.000 1.028 321 K CB 0.174 32.685 32.500 0.019 0.000 0.919 321 K HN 0.116 nan 8.250 nan 0.000 0.474 322 P HA -0.078 nan 4.420 nan 0.000 0.265 322 P C -0.468 176.832 177.300 0.000 0.000 1.187 322 P CA 0.109 63.202 63.100 -0.012 0.000 0.766 322 P CB 1.037 32.719 31.700 -0.029 0.000 0.820 323 A N 2.667 125.490 122.820 0.005 0.000 2.072 323 A HA -0.024 4.178 4.320 -0.197 0.000 0.216 323 A C 0.894 178.483 177.584 0.009 0.000 1.156 323 A CA 0.740 52.783 52.037 0.011 0.000 0.701 323 A CB -0.780 18.229 19.000 0.014 0.000 0.816 323 A HN 0.667 nan 8.150 nan 0.000 0.458 324 D N -0.558 119.844 120.400 0.003 0.000 2.325 324 D HA 0.325 4.847 4.640 -0.197 0.000 0.262 324 D C 0.949 177.251 176.300 0.003 0.000 1.263 324 D CA 0.081 54.082 54.000 0.003 0.000 1.020 324 D CB -0.380 40.420 40.800 -0.001 0.000 1.117 324 D HN -0.016 nan 8.370 nan 0.000 0.545 325 G N -0.751 108.051 108.800 0.002 0.000 3.581 325 G HA2 0.152 3.994 3.960 -0.197 0.000 0.255 325 G HA3 0.152 3.994 3.960 -0.197 0.000 0.255 325 G C 0.082 174.980 174.900 -0.004 0.000 1.121 325 G CA -0.489 44.613 45.100 0.003 0.000 1.739 325 G HN 0.180 nan 8.290 nan 0.000 0.646 326 R N 0.358 120.851 120.500 -0.011 0.000 2.393 326 R HA 0.289 4.511 4.340 -0.197 0.000 0.310 326 R C -0.677 175.607 176.300 -0.026 0.000 0.968 326 R CA -0.552 55.533 56.100 -0.026 0.000 0.867 326 R CB 1.732 32.008 30.300 -0.041 0.000 1.124 326 R HN 0.332 nan 8.270 nan 0.000 0.450 327 E N 2.507 122.688 120.200 -0.032 0.000 2.200 327 E HA 0.252 4.484 4.350 -0.197 0.000 0.283 327 E C -0.762 175.799 176.600 -0.065 0.000 1.015 327 E CA -0.612 55.770 56.400 -0.029 0.000 0.819 327 E CB 1.161 30.853 29.700 -0.014 0.000 1.081 327 E HN 0.365 nan 8.360 nan 0.000 0.397 328 V N 0.955 120.839 119.914 -0.049 0.000 3.074 328 V HA 0.545 4.547 4.120 -0.197 0.000 0.314 328 V C -0.439 175.652 176.094 -0.005 0.000 1.117 328 V CA -1.110 61.144 62.300 -0.076 0.000 1.014 328 V CB 1.805 33.572 31.823 -0.094 0.000 1.057 328 V HN 0.363 nan 8.190 nan 0.000 0.438 329 V N 1.663 121.584 119.914 0.012 0.000 2.415 329 V HA 0.072 4.074 4.120 -0.197 0.000 0.267 329 V C 1.148 177.313 176.094 0.117 0.000 1.042 329 V CA 0.273 62.657 62.300 0.141 0.000 1.000 329 V CB 0.261 32.218 31.823 0.224 0.000 1.015 329 V HN 1.153 nan 8.190 nan 0.000 0.478 330 c N 3.634 122.316 118.600 0.137 0.000 2.514 330 c HA 0.055 4.507 4.570 -0.197 0.000 0.271 330 c C 1.431 175.551 174.090 0.051 0.000 1.399 330 c CA -0.054 56.323 56.329 0.079 0.000 1.765 330 c CB -1.246 41.299 42.510 0.057 0.000 1.893 330 c HN 0.931 nan 8.230 nan 0.000 0.531 331 H N 0.790 119.827 119.070 -0.054 0.000 3.070 331 H HA 0.354 4.792 4.556 -0.196 0.000 0.313 331 H C 0.638 175.858 175.328 -0.182 0.000 0.997 331 H CA 0.541 56.411 56.048 -0.296 0.000 1.438 331 H CB 0.485 29.605 29.762 -1.070 0.000 1.455 331 H HN 0.458 nan 8.280 nan 0.000 0.575 332 A N 4.311 126.975 122.820 -0.260 0.000 2.540 332 A HA 0.391 4.593 4.320 -0.197 0.000 0.239 332 A C -0.147 177.535 177.584 0.164 0.000 1.061 332 A CA 0.526 52.572 52.037 0.016 0.000 0.758 332 A CB -0.089 18.917 19.000 0.011 0.000 0.991 332 A HN 0.834 nan 8.150 nan 0.000 0.502 333 S N 0.209 116.097 115.700 0.312 0.000 2.570 333 S HA 0.801 5.153 4.470 -0.197 0.000 0.270 333 S C -0.646 174.252 174.600 0.495 0.000 1.149 333 S CA -0.195 58.205 58.200 0.332 0.000 0.837 333 S CB 1.479 64.844 63.200 0.274 0.000 1.124 333 S HN 2.099 nan 8.310 nan 0.000 0.465 334 A N 0.775 123.784 122.820 0.315 0.000 2.350 334 A HA 0.812 5.014 4.320 -0.197 0.000 0.324 334 A C -1.837 175.976 177.584 0.382 0.000 1.118 334 A CA -0.740 51.599 52.037 0.503 0.000 0.783 334 A CB 0.592 19.820 19.000 0.381 0.000 1.236 334 A HN 0.761 nan 8.150 nan 0.000 0.457 335 W N 1.070 122.625 121.300 0.425 0.000 2.715 335 W HA 0.475 5.018 4.660 -0.195 0.000 0.331 335 W C -0.811 175.707 176.519 -0.002 0.000 1.031 335 W CA -0.376 57.051 57.345 0.137 0.000 1.237 335 W CB 1.800 31.335 29.460 0.124 0.000 1.378 335 W HN 0.648 nan 8.180 nan 0.000 0.454 336 D N 2.049 122.210 120.400 -0.398 0.000 2.303 336 D HA 0.254 4.776 4.640 -0.197 0.000 0.236 336 D C -0.047 175.908 176.300 -0.575 0.000 1.068 336 D CA -0.525 53.075 54.000 -0.666 0.000 0.830 336 D CB 0.941 40.856 40.800 -1.475 0.000 1.109 336 D HN 0.190 nan 8.370 nan 0.000 0.496 337 F N 2.474 122.174 119.950 -0.418 0.000 2.797 337 F HA 0.108 4.517 4.527 -0.196 0.000 0.302 337 F C 0.584 176.415 175.800 0.051 0.000 1.130 337 F CA -0.151 57.765 58.000 -0.140 0.000 1.387 337 F CB -0.446 38.493 39.000 -0.102 0.000 1.107 337 F HN 0.448 nan 8.300 nan 0.000 0.577 338 Y N -0.122 120.197 120.300 0.031 0.000 4.079 338 Y HA -0.336 4.095 4.550 -0.197 0.000 0.223 338 Y C 1.073 176.988 175.900 0.024 0.000 1.155 338 Y CA 0.401 58.513 58.100 0.020 0.000 1.805 338 Y CB -2.311 36.136 38.460 -0.020 0.000 1.571 338 Y HN 0.322 nan 8.280 nan 0.000 0.654 339 N N -0.135 118.602 118.700 0.061 0.000 2.177 339 N HA 0.175 4.798 4.740 -0.197 0.000 0.218 339 N C 0.590 176.059 175.510 -0.068 0.000 1.182 339 N CA 0.346 53.373 53.050 -0.039 0.000 0.882 339 N CB 0.246 38.644 38.487 -0.147 0.000 1.052 339 N HN 0.462 nan 8.380 nan 0.000 0.519 340 R N -1.836 118.644 120.500 -0.032 0.000 3.994 340 R HA -0.193 4.029 4.340 -0.197 0.000 0.403 340 R C 0.305 176.665 176.300 0.101 0.000 1.126 340 R CA 1.547 57.722 56.100 0.125 0.000 1.143 340 R CB -1.992 28.381 30.300 0.123 0.000 1.695 340 R HN 0.233 nan 8.270 nan 0.000 0.555 341 K N -0.610 119.674 120.400 -0.194 0.000 2.424 341 K HA 0.117 4.319 4.320 -0.197 0.000 0.200 341 K C 0.074 176.463 176.600 -0.351 0.000 1.279 341 K CA 0.584 56.792 56.287 -0.131 0.000 0.918 341 K CB 0.656 33.083 32.500 -0.123 0.000 1.287 341 K HN 0.189 nan 8.250 nan 0.000 0.502 342 D N 0.306 120.300 120.400 -0.677 0.000 2.233 342 D HA 0.477 4.999 4.640 -0.197 0.000 0.240 342 D C -1.059 174.735 176.300 -0.843 0.000 1.074 342 D CA -0.089 53.511 54.000 -0.666 0.000 0.838 342 D CB 0.940 41.270 40.800 -0.785 0.000 1.124 342 D HN 0.074 nan 8.370 nan 0.000 0.475 343 F N 1.303 121.283 119.950 0.049 0.000 2.588 343 F HA 0.442 4.851 4.527 -0.197 0.000 0.318 343 F C 0.286 176.223 175.800 0.230 0.000 1.155 343 F CA -0.944 57.201 58.000 0.241 0.000 0.967 343 F CB 1.929 41.081 39.000 0.254 0.000 1.236 343 F HN -0.079 nan 8.300 nan 0.000 0.455 344 R N 2.768 123.537 120.500 0.448 0.000 2.740 344 R HA 0.748 4.970 4.340 -0.197 0.000 0.273 344 R C -1.594 174.966 176.300 0.433 0.000 0.998 344 R CA -1.036 55.150 56.100 0.144 0.000 0.900 344 R CB 3.165 33.199 30.300 -0.443 0.000 1.223 344 R HN 0.587 nan 8.270 nan 0.000 0.466 345 I N 1.431 122.163 120.570 0.271 0.000 2.493 345 I HA 0.332 4.384 4.170 -0.197 0.000 0.298 345 I C -0.319 176.007 176.117 0.349 0.000 0.998 345 I CA -0.593 60.975 61.300 0.447 0.000 1.137 345 I CB 1.840 40.136 38.000 0.492 0.000 1.310 345 I HN 0.330 nan 8.210 nan 0.000 0.445 346 K N 6.826 127.482 120.400 0.425 0.000 2.507 346 K HA 0.435 4.637 4.320 -0.197 0.000 0.253 346 K C -1.270 175.454 176.600 0.207 0.000 0.969 346 K CA -0.480 55.923 56.287 0.193 0.000 0.908 346 K CB 1.183 33.665 32.500 -0.030 0.000 1.127 346 K HN 0.650 nan 8.250 nan 0.000 0.437 347 Q N 3.988 123.886 119.800 0.162 0.000 2.289 347 Q HA 0.278 4.500 4.340 -0.197 0.000 0.270 347 Q C -1.394 174.682 176.000 0.127 0.000 1.038 347 Q CA -0.777 55.134 55.803 0.181 0.000 0.812 347 Q CB 1.716 30.653 28.738 0.331 0.000 1.300 347 Q HN 0.764 nan 8.270 nan 0.000 0.427 348 c N 3.909 122.559 118.600 0.083 0.000 2.756 348 c HA 0.234 4.686 4.570 -0.197 0.000 0.504 348 c C 0.327 174.471 174.090 0.091 0.000 1.028 348 c CA -0.330 56.038 56.329 0.066 0.000 1.167 348 c CB -1.856 40.675 42.510 0.035 0.000 1.444 348 c HN 0.615 nan 8.230 nan 0.000 0.577 349 T N 3.063 117.707 114.554 0.151 0.000 2.902 349 T HA 0.143 4.375 4.350 -0.197 0.000 0.301 349 T C 0.450 175.232 174.700 0.136 0.000 1.012 349 T CA 0.488 62.700 62.100 0.187 0.000 1.151 349 T CB 0.416 69.486 68.868 0.337 0.000 0.946 349 T HN 0.602 nan 8.240 nan 0.000 0.542 350 R N 1.533 122.096 120.500 0.105 0.000 2.711 350 R HA 0.507 4.730 4.340 -0.197 0.000 0.284 350 R C -0.800 175.553 176.300 0.087 0.000 0.968 350 R CA -0.935 55.214 56.100 0.081 0.000 0.924 350 R CB 1.618 31.944 30.300 0.042 0.000 1.162 350 R HN 0.370 nan 8.270 nan 0.000 0.465 351 V N 2.609 122.576 119.914 0.089 0.000 2.352 351 V HA 0.191 4.194 4.120 -0.197 0.000 0.253 351 V C 0.004 176.112 176.094 0.023 0.000 1.083 351 V CA 0.404 62.757 62.300 0.089 0.000 0.993 351 V CB 0.348 32.246 31.823 0.124 0.000 1.111 351 V HN 0.738 nan 8.190 nan 0.000 0.490 352 T N 4.046 118.596 114.554 -0.006 0.000 2.942 352 T HA 0.271 4.503 4.350 -0.197 0.000 0.327 352 T C 0.566 175.222 174.700 -0.073 0.000 1.360 352 T CA -0.546 61.532 62.100 -0.036 0.000 1.055 352 T CB 2.007 70.868 68.868 -0.011 0.000 1.261 352 T HN 0.547 nan 8.240 nan 0.000 0.485 353 M N 1.652 121.196 119.600 -0.094 0.000 2.117 353 M HA -0.097 4.265 4.480 -0.197 0.000 0.262 353 M C 1.805 178.056 176.300 -0.082 0.000 1.065 353 M CA 2.758 57.990 55.300 -0.114 0.000 1.114 353 M CB -0.242 32.290 32.600 -0.113 0.000 1.361 353 M HN 0.817 nan 8.290 nan 0.000 0.408 354 D N -1.040 119.327 120.400 -0.056 0.000 2.178 354 D HA -0.226 4.296 4.640 -0.197 0.000 0.202 354 D C 1.826 178.104 176.300 -0.037 0.000 0.974 354 D CA 0.995 54.968 54.000 -0.045 0.000 0.841 354 D CB -0.397 40.392 40.800 -0.020 0.000 0.953 354 D HN 0.385 nan 8.370 nan 0.000 0.478 355 Q N -0.344 119.442 119.800 -0.023 0.000 2.167 355 Q HA -0.058 4.164 4.340 -0.197 0.000 0.202 355 Q C 2.226 178.221 176.000 -0.009 0.000 0.970 355 Q CA 0.509 56.308 55.803 -0.007 0.000 0.855 355 Q CB -0.284 28.465 28.738 0.018 0.000 0.911 355 Q HN 0.396 nan 8.270 nan 0.000 0.438 356 L N 0.698 121.914 121.223 -0.012 0.000 2.046 356 L HA -0.144 4.078 4.340 -0.197 0.000 0.208 356 L C 2.157 179.081 176.870 0.091 0.000 1.077 356 L CA 1.715 56.573 54.840 0.029 0.000 0.747 356 L CB -0.612 41.440 42.059 -0.012 0.000 0.896 356 L HN -0.004 nan 8.230 nan 0.000 0.432 357 S N -1.169 114.523 115.700 -0.012 0.000 2.368 357 S HA -0.182 4.170 4.470 -0.197 0.000 0.225 357 S C 1.781 176.392 174.600 0.017 0.000 1.030 357 S CA 1.721 59.891 58.200 -0.051 0.000 0.999 357 S CB -0.566 62.561 63.200 -0.121 0.000 0.844 357 S HN 0.602 nan 8.310 nan 0.000 0.459 358 T N 2.004 116.558 114.554 0.001 0.000 2.821 358 T HA -0.031 4.201 4.350 -0.197 0.000 0.267 358 T C 1.921 176.655 174.700 0.056 0.000 1.046 358 T CA 0.956 63.071 62.100 0.024 0.000 1.139 358 T CB -0.373 68.486 68.868 -0.015 0.000 0.871 358 T HN 0.179 nan 8.240 nan 0.000 0.454 359 V N 1.103 120.985 119.914 -0.053 0.000 2.287 359 V HA -0.228 3.774 4.120 -0.197 0.000 0.248 359 V C 2.260 178.256 176.094 -0.162 0.000 1.053 359 V CA 1.855 63.981 62.300 -0.290 0.000 1.027 359 V CB -0.689 30.752 31.823 -0.636 0.000 0.646 359 V HN 0.543 nan 8.190 nan 0.000 0.447 360 H N -1.109 117.915 119.070 -0.076 0.000 2.353 360 H HA -0.191 4.247 4.556 -0.197 0.000 0.300 360 H C 2.273 177.617 175.328 0.027 0.000 1.090 360 H CA 2.103 58.147 56.048 -0.007 0.000 1.327 360 H CB -0.355 29.326 29.762 -0.134 0.000 1.383 360 H HN 0.640 nan 8.280 nan 0.000 0.508 361 H N 0.718 119.811 119.070 0.039 0.000 2.290 361 H HA -0.127 4.311 4.556 -0.197 0.000 0.298 361 H C 1.854 177.173 175.328 -0.015 0.000 1.087 361 H CA 1.921 57.955 56.048 -0.024 0.000 1.291 361 H CB 0.254 30.010 29.762 -0.009 0.000 1.369 361 H HN 0.252 nan 8.280 nan 0.000 0.492 362 E N 0.151 120.457 120.200 0.176 0.000 2.106 362 E HA -0.178 4.054 4.350 -0.197 0.000 0.192 362 E C 2.385 179.038 176.600 0.088 0.000 0.984 362 E CA 1.059 57.605 56.400 0.243 0.000 0.806 362 E CB -0.412 29.506 29.700 0.363 0.000 0.750 362 E HN 0.606 nan 8.360 nan 0.000 0.458 363 M N 0.335 119.932 119.600 -0.005 0.000 2.296 363 M HA -0.029 4.333 4.480 -0.197 0.000 0.265 363 M C 1.971 178.029 176.300 -0.403 0.000 1.064 363 M CA 1.445 56.605 55.300 -0.233 0.000 1.109 363 M CB -0.102 32.332 32.600 -0.276 0.000 1.396 363 M HN 0.123 nan 8.290 nan 0.000 0.430 364 G N -0.574 108.142 108.800 -0.140 0.000 2.418 364 G HA2 -0.238 3.604 3.960 -0.197 0.000 0.217 364 G HA3 -0.238 3.604 3.960 -0.197 0.000 0.217 364 G C 1.211 175.939 174.900 -0.286 0.000 1.158 364 G CA 0.805 45.821 45.100 -0.140 0.000 0.771 364 G HN 0.480 nan 8.290 nan 0.000 0.545 365 H N 0.554 119.493 119.070 -0.217 0.000 2.321 365 H HA -0.020 4.418 4.556 -0.197 0.000 0.300 365 H C 2.802 177.611 175.328 -0.865 0.000 1.087 365 H CA 1.065 56.931 56.048 -0.304 0.000 1.319 365 H CB -0.247 29.387 29.762 -0.213 0.000 1.379 365 H HN 0.183 nan 8.280 nan 0.000 0.501 366 I N 1.012 121.271 120.570 -0.518 0.000 2.163 366 I HA -0.265 3.787 4.170 -0.197 0.000 0.243 366 I C 2.587 178.367 176.117 -0.563 0.000 1.085 366 I CA 1.251 62.247 61.300 -0.508 0.000 1.347 366 I CB -1.020 36.793 38.000 -0.311 0.000 1.044 366 I HN 0.215 nan 8.210 nan 0.000 0.408 367 Q N 0.430 119.886 119.800 -0.574 0.000 2.096 367 Q HA -0.235 3.987 4.340 -0.197 0.000 0.204 367 Q C 2.296 178.051 176.000 -0.407 0.000 0.982 367 Q CA 1.759 57.252 55.803 -0.516 0.000 0.850 367 Q CB -0.683 27.740 28.738 -0.524 0.000 0.901 367 Q HN 0.552 nan 8.270 nan 0.000 0.422 368 Y N -0.804 119.174 120.300 -0.537 0.000 2.081 368 Y HA -0.368 4.063 4.550 -0.197 0.000 0.280 368 Y C 1.923 177.258 175.900 -0.941 0.000 1.163 368 Y CA 1.725 59.431 58.100 -0.655 0.000 1.135 368 Y CB -0.199 37.813 38.460 -0.747 0.000 0.970 368 Y HN 0.278 nan 8.280 nan 0.000 0.498 369 Y N -0.529 119.447 120.300 -0.540 0.000 2.165 369 Y HA -0.333 4.099 4.550 -0.197 0.000 0.286 369 Y C 2.372 177.932 175.900 -0.566 0.000 1.155 369 Y CA 0.762 58.531 58.100 -0.552 0.000 1.164 369 Y CB -0.491 37.881 38.460 -0.147 0.000 0.978 369 Y HN 0.138 nan 8.280 nan 0.000 0.513 370 L N -0.266 120.650 121.223 -0.512 0.000 2.141 370 L HA -0.216 4.006 4.340 -0.197 0.000 0.209 370 L C 2.419 179.144 176.870 -0.241 0.000 1.094 370 L CA 0.887 55.425 54.840 -0.503 0.000 0.763 370 L CB -0.460 41.301 42.059 -0.495 0.000 0.908 370 L HN 0.308 nan 8.230 nan 0.000 0.437 371 Q N -0.291 119.372 119.800 -0.230 0.000 2.187 371 Q HA -0.123 4.099 4.340 -0.197 0.000 0.199 371 Q C 1.500 177.533 176.000 0.055 0.000 0.957 371 Q CA 1.135 56.879 55.803 -0.099 0.000 0.857 371 Q CB -0.032 28.634 28.738 -0.120 0.000 0.929 371 Q HN 0.708 nan 8.270 nan 0.000 0.453 372 Y N -0.135 120.233 120.300 0.114 0.000 2.571 372 Y HA 0.338 4.770 4.550 -0.197 0.000 0.275 372 Y C 1.345 177.316 175.900 0.119 0.000 1.179 372 Y CA -0.846 57.327 58.100 0.123 0.000 1.242 372 Y CB -0.700 37.853 38.460 0.155 0.000 1.126 372 Y HN 0.002 nan 8.280 nan 0.000 0.524 373 K N -0.353 120.256 120.400 0.348 0.000 2.283 373 K HA -0.116 4.086 4.320 -0.197 0.000 0.202 373 K C 0.150 176.885 176.600 0.224 0.000 1.048 373 K CA 1.726 58.210 56.287 0.328 0.000 0.948 373 K CB -0.105 32.582 32.500 0.311 0.000 0.742 373 K HN 0.121 nan 8.250 nan 0.000 0.458 374 D N 0.958 121.461 120.400 0.171 0.000 2.339 374 D HA 0.129 4.651 4.640 -0.197 0.000 0.217 374 D C 0.464 176.821 176.300 0.094 0.000 1.050 374 D CA 0.144 54.212 54.000 0.114 0.000 0.856 374 D CB 0.172 41.024 40.800 0.085 0.000 0.922 374 D HN 0.193 nan 8.370 nan 0.000 0.518 375 L N 1.340 122.630 121.223 0.113 0.000 2.453 375 L HA 0.236 4.458 4.340 -0.197 0.000 0.261 375 L C -1.963 174.929 176.870 0.038 0.000 1.179 375 L CA -1.729 53.150 54.840 0.065 0.000 0.813 375 L CB -0.002 42.088 42.059 0.052 0.000 1.110 375 L HN -0.317 nan 8.230 nan 0.000 0.466 376 P HA -0.073 nan 4.420 nan 0.000 0.266 376 P C 0.757 178.038 177.300 -0.032 0.000 1.195 376 P CA 0.063 63.154 63.100 -0.014 0.000 0.768 376 P CB 0.711 32.400 31.700 -0.018 0.000 0.838 377 V N 2.971 122.855 119.914 -0.050 0.000 2.469 377 V HA -0.242 3.760 4.120 -0.197 0.000 0.251 377 V C 1.873 177.908 176.094 -0.099 0.000 1.064 377 V CA 2.498 64.761 62.300 -0.061 0.000 1.066 377 V CB -0.747 30.993 31.823 -0.138 0.000 0.667 377 V HN 0.559 nan 8.190 nan 0.000 0.461 378 S N -0.327 115.324 115.700 -0.082 0.000 2.481 378 S HA 0.078 4.430 4.470 -0.197 0.000 0.231 378 S C 1.428 175.965 174.600 -0.106 0.000 0.996 378 S CA 0.892 59.051 58.200 -0.069 0.000 0.942 378 S CB -0.152 63.050 63.200 0.003 0.000 0.768 378 S HN 0.586 nan 8.310 nan 0.000 0.520 379 L N 0.474 121.625 121.223 -0.119 0.000 2.628 379 L HA 0.247 4.469 4.340 -0.197 0.000 0.229 379 L C 0.834 177.494 176.870 -0.350 0.000 1.137 379 L CA 0.118 54.861 54.840 -0.162 0.000 0.909 379 L CB -0.089 41.916 42.059 -0.091 0.000 1.137 379 L HN -0.026 nan 8.230 nan 0.000 0.470 380 R N 1.371 121.628 120.500 -0.405 0.000 4.496 380 R HA 0.239 4.462 4.340 -0.197 0.000 0.211 380 R C -0.385 175.436 176.300 -0.798 0.000 1.738 380 R CA -0.117 55.455 56.100 -0.880 0.000 1.528 380 R CB -0.022 30.140 30.300 -0.231 0.000 1.414 380 R HN 0.119 nan 8.270 nan 0.000 0.812 381 R N -0.947 119.116 120.500 -0.728 0.000 2.795 381 R HA 0.372 4.595 4.340 -0.197 0.000 0.268 381 R C 0.024 176.201 176.300 -0.205 0.000 1.041 381 R CA -1.026 54.916 56.100 -0.262 0.000 0.927 381 R CB 0.507 30.674 30.300 -0.222 0.000 1.235 381 R HN 0.358 nan 8.270 nan 0.000 0.463 382 G N -0.265 108.500 108.800 -0.058 0.000 2.636 382 G HA2 0.334 4.177 3.960 -0.197 0.000 0.246 382 G HA3 0.334 4.177 3.960 -0.197 0.000 0.246 382 G C 0.893 175.714 174.900 -0.131 0.000 1.216 382 G CA 0.275 45.260 45.100 -0.191 0.000 0.854 382 G HN 0.549 nan 8.290 nan 0.000 0.572 383 A N 1.100 123.810 122.820 -0.183 0.000 1.917 383 A HA -0.011 4.191 4.320 -0.197 0.000 0.219 383 A C 1.284 178.675 177.584 -0.323 0.000 1.182 383 A CA 2.094 53.895 52.037 -0.394 0.000 0.633 383 A CB -0.622 17.812 19.000 -0.943 0.000 0.819 383 A HN 1.025 nan 8.150 nan 0.000 0.448 384 N N -4.151 114.339 118.700 -0.350 0.000 2.647 384 N HA 0.470 5.093 4.740 -0.197 0.000 0.266 384 N C -2.872 172.586 175.510 -0.087 0.000 1.373 384 N CA -1.890 50.993 53.050 -0.278 0.000 0.807 384 N CB 0.575 38.750 38.487 -0.519 0.000 1.513 384 N HN -0.271 nan 8.380 nan 0.000 0.505 385 P HA -0.026 nan 4.420 nan 0.000 0.217 385 P C 1.290 178.686 177.300 0.160 0.000 1.148 385 P CA 1.920 64.996 63.100 -0.040 0.000 0.828 385 P CB -0.118 31.522 31.700 -0.100 0.000 0.783 386 G N -1.410 107.542 108.800 0.254 0.000 2.422 386 G HA2 -0.262 3.580 3.960 -0.197 0.000 0.218 386 G HA3 -0.262 3.580 3.960 -0.197 0.000 0.218 386 G C 1.211 176.278 174.900 0.279 0.000 1.146 386 G CA 0.365 45.619 45.100 0.256 0.000 0.769 386 G HN 0.140 nan 8.290 nan 0.000 0.547 387 F N 0.409 120.460 119.950 0.167 0.000 2.095 387 F HA -0.033 4.375 4.527 -0.198 0.000 0.298 387 F C 2.613 178.641 175.800 0.379 0.000 1.104 387 F CA 1.324 59.518 58.000 0.323 0.000 1.232 387 F CB -0.633 38.608 39.000 0.402 0.000 0.987 387 F HN 0.165 nan 8.300 nan 0.000 0.475 388 H N 0.344 119.715 119.070 0.501 0.000 2.387 388 H HA -0.107 4.331 4.556 -0.197 0.000 0.299 388 H C 1.925 177.384 175.328 0.218 0.000 1.099 388 H CA 1.618 57.923 56.048 0.428 0.000 1.315 388 H CB 0.091 30.015 29.762 0.271 0.000 1.380 388 H HN 0.213 nan 8.280 nan 0.000 0.513 389 E N -0.124 120.280 120.200 0.339 0.000 2.358 389 E HA 0.005 4.237 4.350 -0.197 0.000 0.195 389 E C 2.040 178.692 176.600 0.087 0.000 1.010 389 E CA 0.605 57.143 56.400 0.230 0.000 0.856 389 E CB 0.013 29.861 29.700 0.246 0.000 0.795 389 E HN 0.445 nan 8.360 nan 0.000 0.504 390 A N 0.821 123.669 122.820 0.047 0.000 2.081 390 A HA 0.006 4.208 4.320 -0.197 0.000 0.214 390 A C 2.013 179.563 177.584 -0.057 0.000 1.158 390 A CA 0.086 52.085 52.037 -0.062 0.000 0.724 390 A CB -0.056 18.831 19.000 -0.189 0.000 0.826 390 A HN 0.048 nan 8.150 nan 0.000 0.463 391 I N 0.541 121.086 120.570 -0.043 0.000 2.099 391 I HA -0.213 3.839 4.170 -0.197 0.000 0.239 391 I C 2.651 178.689 176.117 -0.131 0.000 1.066 391 I CA 1.875 63.122 61.300 -0.089 0.000 1.324 391 I CB -1.952 35.948 38.000 -0.167 0.000 1.037 391 I HN 0.319 nan 8.210 nan 0.000 0.401 392 G N 0.212 108.909 108.800 -0.172 0.000 2.408 392 G HA2 -0.215 3.627 3.960 -0.197 0.000 0.217 392 G HA3 -0.215 3.627 3.960 -0.197 0.000 0.217 392 G C 1.276 176.077 174.900 -0.164 0.000 1.150 392 G CA 0.664 45.702 45.100 -0.104 0.000 0.776 392 G HN 0.307 nan 8.290 nan 0.000 0.542 393 D N -0.108 120.186 120.400 -0.175 0.000 2.117 393 D HA -0.103 4.419 4.640 -0.197 0.000 0.197 393 D C 2.537 178.598 176.300 -0.398 0.000 0.987 393 D CA 0.668 54.497 54.000 -0.285 0.000 0.829 393 D CB -0.433 40.166 40.800 -0.335 0.000 0.961 393 D HN 0.125 nan 8.370 nan 0.000 0.460 394 V N 0.055 119.774 119.914 -0.325 0.000 2.343 394 V HA -0.208 3.794 4.120 -0.197 0.000 0.247 394 V C 2.105 177.990 176.094 -0.349 0.000 1.051 394 V CA 1.321 63.433 62.300 -0.312 0.000 1.036 394 V CB -0.197 31.564 31.823 -0.105 0.000 0.654 394 V HN 0.104 nan 8.190 nan 0.000 0.451 395 L N 0.380 121.357 121.223 -0.411 0.000 2.093 395 L HA 0.013 4.235 4.340 -0.197 0.000 0.208 395 L C 2.618 178.982 176.870 -0.843 0.000 1.085 395 L CA 2.153 56.589 54.840 -0.673 0.000 0.755 395 L CB -1.101 40.455 42.059 -0.838 0.000 0.904 395 L HN 0.350 nan 8.230 nan 0.000 0.435 396 A N -0.978 121.444 122.820 -0.663 0.000 2.067 396 A HA -0.109 4.093 4.320 -0.197 0.000 0.219 396 A C 2.264 179.532 177.584 -0.527 0.000 1.158 396 A CA 1.115 52.748 52.037 -0.674 0.000 0.661 396 A CB -0.643 18.071 19.000 -0.476 0.000 0.801 396 A HN 0.388 nan 8.150 nan 0.000 0.452 397 L N -0.846 120.071 121.223 -0.509 0.000 2.083 397 L HA -0.148 4.074 4.340 -0.197 0.000 0.209 397 L C 2.802 179.489 176.870 -0.305 0.000 1.083 397 L CA 1.429 55.991 54.840 -0.462 0.000 0.752 397 L CB -0.396 41.194 42.059 -0.782 0.000 0.899 397 L HN 0.321 nan 8.230 nan 0.000 0.433 398 S N -0.664 114.843 115.700 -0.321 0.000 2.371 398 S HA -0.114 4.238 4.470 -0.197 0.000 0.224 398 S C 2.015 176.409 174.600 -0.343 0.000 1.029 398 S CA 0.936 59.017 58.200 -0.198 0.000 0.978 398 S CB -0.034 63.143 63.200 -0.038 0.000 0.833 398 S HN 0.143 nan 8.310 nan 0.000 0.466 399 V N 2.438 121.989 119.914 -0.606 0.000 2.343 399 V HA -0.142 3.860 4.120 -0.197 0.000 0.247 399 V C 2.460 178.443 176.094 -0.185 0.000 1.051 399 V CA 1.935 63.887 62.300 -0.581 0.000 1.036 399 V CB -0.923 30.444 31.823 -0.761 0.000 0.654 399 V HN 0.673 nan 8.190 nan 0.000 0.451 400 S N -0.039 115.558 115.700 -0.172 0.000 2.561 400 S HA -0.050 4.302 4.470 -0.197 0.000 0.225 400 S C 1.142 175.782 174.600 0.068 0.000 0.977 400 S CA 0.527 58.717 58.200 -0.016 0.000 0.926 400 S CB -1.005 62.197 63.200 0.003 0.000 0.769 400 S HN 0.738 nan 8.310 nan 0.000 0.533 401 T N 0.459 114.987 114.554 -0.045 0.000 2.928 401 T HA 0.223 4.455 4.350 -0.197 0.000 0.305 401 T C -1.775 172.802 174.700 -0.206 0.000 1.035 401 T CA -1.152 60.774 62.100 -0.289 0.000 1.145 401 T CB 0.480 69.224 68.868 -0.207 0.000 0.963 401 T HN -0.035 nan 8.240 nan 0.000 0.545 402 P HA -0.122 nan 4.420 nan 0.000 0.216 402 P C 1.666 178.929 177.300 -0.061 0.000 1.150 402 P CA 0.895 63.906 63.100 -0.148 0.000 0.843 402 P CB 0.004 31.598 31.700 -0.176 0.000 0.787 403 E N -1.229 118.925 120.200 -0.076 0.000 2.051 403 E HA -0.258 3.974 4.350 -0.197 0.000 0.192 403 E C 2.105 178.733 176.600 0.047 0.000 0.991 403 E CA 1.488 57.883 56.400 -0.009 0.000 0.799 403 E CB -1.149 28.538 29.700 -0.023 0.000 0.748 403 E HN 0.447 nan 8.360 nan 0.000 0.449 404 H N -0.102 118.940 119.070 -0.048 0.000 2.357 404 H HA 0.092 4.530 4.556 -0.196 0.000 0.301 404 H C 2.190 177.488 175.328 -0.052 0.000 1.082 404 H CA 2.036 58.050 56.048 -0.058 0.000 1.342 404 H CB -0.321 29.404 29.762 -0.062 0.000 1.389 404 H HN 0.248 nan 8.280 nan 0.000 0.511 405 L N -0.630 120.603 121.223 0.015 0.000 2.079 405 L HA -0.243 3.979 4.340 -0.197 0.000 0.210 405 L C 2.468 179.318 176.870 -0.034 0.000 1.081 405 L CA 1.773 56.601 54.840 -0.021 0.000 0.752 405 L CB -0.598 41.459 42.059 -0.002 0.000 0.896 405 L HN 0.446 nan 8.230 nan 0.000 0.433 406 H N 0.584 119.600 119.070 -0.089 0.000 2.353 406 H HA -0.152 4.286 4.556 -0.197 0.000 0.300 406 H C 2.224 177.495 175.328 -0.095 0.000 1.090 406 H CA 1.706 57.711 56.048 -0.072 0.000 1.327 406 H CB 0.139 29.867 29.762 -0.056 0.000 1.383 406 H HN 0.134 nan 8.280 nan 0.000 0.508 407 K N 0.077 120.361 120.400 -0.194 0.000 2.097 407 K HA -0.075 4.127 4.320 -0.197 0.000 0.206 407 K C 1.794 178.227 176.600 -0.279 0.000 1.049 407 K CA 1.678 57.803 56.287 -0.268 0.000 0.933 407 K CB -0.041 32.268 32.500 -0.318 0.000 0.717 407 K HN 0.581 nan 8.250 nan 0.000 0.442 408 I N -3.057 117.343 120.570 -0.283 0.000 3.810 408 I HA 0.283 4.335 4.170 -0.197 0.000 0.322 408 I C 0.586 176.711 176.117 0.013 0.000 1.288 408 I CA 0.188 61.419 61.300 -0.114 0.000 1.143 408 I CB 0.039 38.012 38.000 -0.045 0.000 1.012 408 I HN 0.171 nan 8.210 nan 0.000 0.423 409 G N 2.140 110.893 108.800 -0.078 0.000 2.147 409 G HA2 -0.254 3.588 3.960 -0.197 0.000 0.244 409 G HA3 -0.254 3.588 3.960 -0.197 0.000 0.244 409 G C 0.373 175.293 174.900 0.033 0.000 1.005 409 G CA 0.426 45.502 45.100 -0.040 0.000 0.713 409 G HN 0.493 nan 8.290 nan 0.000 0.515 410 L N -1.377 119.853 121.223 0.011 0.000 2.693 410 L HA 0.606 4.828 4.340 -0.197 0.000 0.235 410 L C 0.447 177.314 176.870 -0.005 0.000 1.127 410 L CA -0.014 54.820 54.840 -0.010 0.000 0.914 410 L CB 0.575 42.579 42.059 -0.092 0.000 1.193 410 L HN 0.256 nan 8.230 nan 0.000 0.502 411 L N -0.889 120.350 121.223 0.028 0.000 2.513 411 L HA 0.439 4.661 4.340 -0.197 0.000 0.261 411 L C -1.290 175.678 176.870 0.165 0.000 0.945 411 L CA -0.428 54.454 54.840 0.069 0.000 0.848 411 L CB 1.952 44.046 42.059 0.059 0.000 1.334 411 L HN -0.224 nan 8.230 nan 0.000 0.407 412 D N 3.022 123.500 120.400 0.130 0.000 2.424 412 D HA 0.386 4.908 4.640 -0.197 0.000 0.244 412 D C 0.449 176.797 176.300 0.080 0.000 1.134 412 D CA 0.429 54.520 54.000 0.153 0.000 0.881 412 D CB 0.847 41.691 40.800 0.073 0.000 1.191 412 D HN 0.738 nan 8.370 nan 0.000 0.445 413 R N 1.571 122.035 120.500 -0.059 0.000 2.560 413 R HA 0.103 4.325 4.340 -0.197 0.000 0.296 413 R C 0.058 176.248 176.300 -0.184 0.000 0.873 413 R CA 0.228 56.057 56.100 -0.451 0.000 1.140 413 R CB -0.752 29.253 30.300 -0.491 0.000 0.875 413 R HN 0.350 nan 8.270 nan 0.000 0.419 414 V N 2.515 122.328 119.914 -0.168 0.000 2.743 414 V HA 0.797 4.799 4.120 -0.197 0.000 0.301 414 V C 1.265 177.301 176.094 -0.097 0.000 1.057 414 V CA 0.392 62.638 62.300 -0.091 0.000 1.006 414 V CB 1.620 33.402 31.823 -0.067 0.000 1.024 414 V HN 1.302 nan 8.190 nan 0.000 0.473 415 T N 2.530 117.044 114.554 -0.068 0.000 2.904 415 T HA 0.296 4.528 4.350 -0.197 0.000 0.290 415 T C 0.266 174.928 174.700 -0.063 0.000 1.018 415 T CA -0.385 61.676 62.100 -0.064 0.000 1.075 415 T CB 0.009 68.845 68.868 -0.053 0.000 0.986 415 T HN 0.698 nan 8.240 nan 0.000 0.523 416 N N 2.010 120.674 118.700 -0.060 0.000 3.229 416 N HA 0.289 4.911 4.740 -0.197 0.000 0.275 416 N C -1.113 174.369 175.510 -0.046 0.000 1.225 416 N CA -0.690 52.328 53.050 -0.052 0.000 1.119 416 N CB -0.157 38.299 38.487 -0.051 0.000 1.392 416 N HN 0.788 nan 8.380 nan 0.000 0.520 417 D N -2.295 118.073 120.400 -0.052 0.000 2.450 417 D HA 0.283 4.805 4.640 -0.197 0.000 0.238 417 D C 1.309 177.562 176.300 -0.079 0.000 1.020 417 D CA -0.738 53.222 54.000 -0.067 0.000 1.010 417 D CB 0.673 41.421 40.800 -0.087 0.000 1.342 417 D HN 0.070 nan 8.370 nan 0.000 0.530 418 T N -1.853 112.641 114.554 -0.100 0.000 2.788 418 T HA -0.166 4.066 4.350 -0.197 0.000 0.268 418 T C 1.324 175.901 174.700 -0.206 0.000 1.044 418 T CA 1.264 63.296 62.100 -0.114 0.000 1.139 418 T CB -0.524 68.288 68.868 -0.093 0.000 0.867 418 T HN 0.433 nan 8.240 nan 0.000 0.454 419 E N 1.542 121.538 120.200 -0.339 0.000 2.051 419 E HA -0.045 4.187 4.350 -0.197 0.000 0.192 419 E C 2.635 179.112 176.600 -0.204 0.000 0.991 419 E CA 1.493 57.544 56.400 -0.583 0.000 0.799 419 E CB -0.450 28.756 29.700 -0.824 0.000 0.748 419 E HN 0.494 nan 8.360 nan 0.000 0.449 420 S N 0.555 116.189 115.700 -0.110 0.000 2.383 420 S HA -0.139 4.213 4.470 -0.197 0.000 0.227 420 S C 1.378 176.005 174.600 0.044 0.000 1.026 420 S CA 1.044 59.243 58.200 -0.001 0.000 0.981 420 S CB -0.240 62.952 63.200 -0.014 0.000 0.818 420 S HN 0.247 nan 8.310 nan 0.000 0.472 421 D N 1.435 121.840 120.400 0.007 0.000 2.097 421 D HA -0.055 4.467 4.640 -0.197 0.000 0.195 421 D C 1.931 178.212 176.300 -0.031 0.000 0.989 421 D CA 0.806 54.828 54.000 0.036 0.000 0.827 421 D CB -0.218 40.601 40.800 0.032 0.000 0.966 421 D HN 0.227 nan 8.370 nan 0.000 0.456 422 I N 1.440 121.941 120.570 -0.116 0.000 2.163 422 I HA -0.235 3.817 4.170 -0.197 0.000 0.243 422 I C 1.940 177.997 176.117 -0.100 0.000 1.085 422 I CA 1.025 62.187 61.300 -0.230 0.000 1.347 422 I CB -1.185 36.510 38.000 -0.508 0.000 1.044 422 I HN -0.005 nan 8.210 nan 0.000 0.408 423 N N 0.461 119.194 118.700 0.056 0.000 2.069 423 N HA -0.255 4.367 4.740 -0.197 0.000 0.191 423 N C 1.900 177.549 175.510 0.230 0.000 1.031 423 N CA 1.352 54.518 53.050 0.193 0.000 0.852 423 N CB -0.704 37.941 38.487 0.263 0.000 1.018 423 N HN 0.398 nan 8.380 nan 0.000 0.423 424 Y N 1.276 121.608 120.300 0.054 0.000 2.163 424 Y HA -0.017 4.415 4.550 -0.195 0.000 0.288 424 Y C 2.113 178.030 175.900 0.029 0.000 1.136 424 Y CA 1.289 59.402 58.100 0.022 0.000 1.147 424 Y CB -0.522 37.943 38.460 0.009 0.000 0.987 424 Y HN -0.009 nan 8.280 nan 0.000 0.509 425 L N -0.624 120.537 121.223 -0.104 0.000 2.083 425 L HA -0.216 4.006 4.340 -0.197 0.000 0.209 425 L C 2.412 179.328 176.870 0.075 0.000 1.083 425 L CA 1.167 55.946 54.840 -0.102 0.000 0.752 425 L CB -0.675 41.314 42.059 -0.116 0.000 0.899 425 L HN 0.323 nan 8.230 nan 0.000 0.433 426 L N 0.177 121.431 121.223 0.052 0.000 2.056 426 L HA -0.222 4.000 4.340 -0.197 0.000 0.207 426 L C 2.590 179.556 176.870 0.159 0.000 1.078 426 L CA 1.765 56.678 54.840 0.123 0.000 0.749 426 L CB -0.451 41.684 42.059 0.128 0.000 0.901 426 L HN 0.108 nan 8.230 nan 0.000 0.433 427 K N -1.199 119.250 120.400 0.081 0.000 2.032 427 K HA -0.211 3.991 4.320 -0.197 0.000 0.209 427 K C 2.023 178.564 176.600 -0.098 0.000 1.048 427 K CA 1.879 58.081 56.287 -0.142 0.000 0.927 427 K CB -0.078 32.090 32.500 -0.555 0.000 0.712 427 K HN 0.226 nan 8.250 nan 0.000 0.441 428 M N 0.228 119.745 119.600 -0.138 0.000 2.159 428 M HA -0.074 4.288 4.480 -0.197 0.000 0.263 428 M C 2.328 178.778 176.300 0.251 0.000 1.063 428 M CA 1.483 56.789 55.300 0.010 0.000 1.110 428 M CB -1.108 31.464 32.600 -0.046 0.000 1.374 428 M HN 0.275 nan 8.290 nan 0.000 0.411 429 A N 0.366 123.340 122.820 0.258 0.000 1.933 429 A HA -0.098 4.104 4.320 -0.197 0.000 0.218 429 A C 2.296 179.866 177.584 -0.023 0.000 1.175 429 A CA 1.137 53.156 52.037 -0.029 0.000 0.628 429 A CB -0.900 18.046 19.000 -0.092 0.000 0.814 429 A HN 0.476 nan 8.150 nan 0.000 0.444 430 L N -0.916 120.353 121.223 0.075 0.000 2.187 430 L HA -0.197 4.025 4.340 -0.197 0.000 0.213 430 L C 2.597 179.507 176.870 0.066 0.000 1.100 430 L CA 1.841 56.749 54.840 0.114 0.000 0.765 430 L CB -0.340 41.874 42.059 0.259 0.000 0.904 430 L HN 0.615 nan 8.230 nan 0.000 0.437 431 E N -0.412 119.838 120.200 0.083 0.000 2.166 431 E HA -0.102 4.130 4.350 -0.197 0.000 0.192 431 E C 1.868 178.601 176.600 0.223 0.000 0.967 431 E CA 0.369 56.836 56.400 0.111 0.000 0.840 431 E CB 0.454 30.182 29.700 0.046 0.000 0.795 431 E HN 0.256 nan 8.360 nan 0.000 0.470 432 K N 0.320 120.855 120.400 0.226 0.000 2.225 432 K HA 0.099 4.301 4.320 -0.197 0.000 0.204 432 K C 2.136 178.899 176.600 0.273 0.000 1.047 432 K CA 0.131 56.661 56.287 0.405 0.000 0.970 432 K CB -0.047 32.701 32.500 0.413 0.000 0.939 432 K HN 0.131 nan 8.250 nan 0.000 0.472 433 I N 1.959 122.501 120.570 -0.046 0.000 2.202 433 I HA -0.114 3.938 4.170 -0.197 0.000 0.242 433 I C 2.426 178.519 176.117 -0.041 0.000 1.091 433 I CA 1.147 62.366 61.300 -0.136 0.000 1.368 433 I CB -1.511 36.284 38.000 -0.343 0.000 1.058 433 I HN -0.010 nan 8.210 nan 0.000 0.410 434 A N 0.474 123.177 122.820 -0.196 0.000 1.978 434 A HA -0.273 3.929 4.320 -0.197 0.000 0.220 434 A C 2.295 179.729 177.584 -0.250 0.000 1.170 434 A CA 1.558 53.293 52.037 -0.503 0.000 0.636 434 A CB -1.096 17.110 19.000 -1.323 0.000 0.810 434 A HN 0.413 nan 8.150 nan 0.000 0.448 435 F N 0.363 120.192 119.950 -0.203 0.000 2.259 435 F HA -0.035 4.379 4.527 -0.189 0.000 0.298 435 F C 1.803 177.525 175.800 -0.129 0.000 1.088 435 F CA 1.141 59.038 58.000 -0.173 0.000 1.358 435 F CB -0.221 38.578 39.000 -0.335 0.000 1.040 435 F HN 0.141 nan 8.300 nan 0.000 0.505 436 L N 1.116 122.304 121.223 -0.058 0.000 1.997 436 L HA -0.245 3.977 4.340 -0.197 0.000 0.216 436 L C -0.317 176.571 176.870 0.030 0.000 1.074 436 L CA 1.905 56.790 54.840 0.074 0.000 0.763 436 L CB -2.376 39.800 42.059 0.196 0.000 0.890 436 L HN 0.150 nan 8.230 nan 0.000 0.434 437 P HA -0.237 nan 4.420 nan 0.000 0.217 437 P C 1.638 178.726 177.300 -0.354 0.000 1.150 437 P CA 1.616 64.604 63.100 -0.186 0.000 0.832 437 P CB -0.146 31.354 31.700 -0.334 0.000 0.787 438 F N 1.588 121.224 119.950 -0.524 0.000 2.113 438 F HA 0.042 4.454 4.527 -0.192 0.000 0.297 438 F C 2.443 177.888 175.800 -0.591 0.000 1.103 438 F CA 1.965 59.629 58.000 -0.559 0.000 1.248 438 F CB -1.139 37.563 39.000 -0.497 0.000 0.999 438 F HN -0.110 nan 8.300 nan 0.000 0.475 439 G N -1.100 107.239 108.800 -0.769 0.000 2.450 439 G HA2 -0.351 3.491 3.960 -0.197 0.000 0.220 439 G HA3 -0.351 3.491 3.960 -0.197 0.000 0.220 439 G C 1.555 176.338 174.900 -0.194 0.000 1.130 439 G CA 1.112 45.974 45.100 -0.397 0.000 0.760 439 G HN 0.468 nan 8.290 nan 0.000 0.557 440 Y N 1.651 121.567 120.300 -0.641 0.000 2.243 440 Y HA 0.040 4.485 4.550 -0.175 0.000 0.293 440 Y C 2.548 177.882 175.900 -0.943 0.000 1.124 440 Y CA 0.980 58.473 58.100 -1.012 0.000 1.159 440 Y CB -0.476 37.122 38.460 -1.436 0.000 1.008 440 Y HN 0.198 nan 8.280 nan 0.000 0.527 441 L N -1.719 118.919 121.223 -0.976 0.000 2.109 441 L HA 0.010 4.232 4.340 -0.197 0.000 0.207 441 L C 2.022 178.466 176.870 -0.711 0.000 1.086 441 L CA 1.493 55.762 54.840 -0.952 0.000 0.760 441 L CB -1.659 39.918 42.059 -0.804 0.000 0.910 441 L HN -0.084 nan 8.230 nan 0.000 0.437 442 V N 0.838 120.304 119.914 -0.746 0.000 2.287 442 V HA -0.290 3.712 4.120 -0.197 0.000 0.248 442 V C 2.228 178.146 176.094 -0.294 0.000 1.053 442 V CA 2.299 64.264 62.300 -0.559 0.000 1.027 442 V CB -0.850 30.416 31.823 -0.929 0.000 0.646 442 V HN 0.480 nan 8.190 nan 0.000 0.447 443 D N -1.150 118.981 120.400 -0.448 0.000 2.317 443 D HA -0.063 4.459 4.640 -0.197 0.000 0.211 443 D C 2.334 177.944 176.300 -1.149 0.000 0.966 443 D CA 0.485 54.058 54.000 -0.712 0.000 0.876 443 D CB -0.061 40.259 40.800 -0.801 0.000 0.927 443 D HN 0.509 nan 8.370 nan 0.000 0.519 444 Q N -0.813 118.469 119.800 -0.863 0.000 2.050 444 Q HA -0.167 4.055 4.340 -0.197 0.000 0.202 444 Q C 1.928 177.829 176.000 -0.165 0.000 0.980 444 Q CA 1.093 56.599 55.803 -0.495 0.000 0.840 444 Q CB -0.184 28.240 28.738 -0.522 0.000 0.898 444 Q HN 0.388 nan 8.270 nan 0.000 0.424 445 W N 1.666 122.801 121.300 -0.274 0.000 2.317 445 W HA -0.251 4.284 4.660 -0.208 0.000 0.318 445 W C 2.389 178.855 176.519 -0.089 0.000 1.227 445 W CA 1.921 59.205 57.345 -0.101 0.000 1.269 445 W CB -0.149 29.323 29.460 0.020 0.000 1.155 445 W HN -0.029 nan 8.180 nan 0.000 0.484 446 R N -0.683 119.839 120.500 0.037 0.000 2.075 446 R HA -0.186 4.036 4.340 -0.197 0.000 0.232 446 R C 2.158 178.404 176.300 -0.090 0.000 1.126 446 R CA 2.143 58.163 56.100 -0.132 0.000 0.963 446 R CB -0.927 29.486 30.300 0.188 0.000 0.858 446 R HN 0.208 nan 8.270 nan 0.000 0.435 447 W N -0.329 120.974 121.300 0.005 0.000 2.342 447 W HA 0.035 4.564 4.660 -0.217 0.000 0.297 447 W C 2.144 178.623 176.519 -0.066 0.000 1.213 447 W CA 1.189 58.554 57.345 0.033 0.000 1.251 447 W CB -1.284 28.200 29.460 0.040 0.000 1.136 447 W HN 0.296 nan 8.180 nan 0.000 0.526 448 G N 0.150 108.980 108.800 0.051 0.000 2.422 448 G HA2 -0.168 3.674 3.960 -0.197 0.000 0.218 448 G HA3 -0.168 3.674 3.960 -0.197 0.000 0.218 448 G C 1.624 176.419 174.900 -0.174 0.000 1.146 448 G CA 1.486 46.545 45.100 -0.067 0.000 0.769 448 G HN 0.125 nan 8.290 nan 0.000 0.547 449 V N 0.200 119.870 119.914 -0.406 0.000 2.307 449 V HA -0.076 3.926 4.120 -0.197 0.000 0.245 449 V C 2.466 178.416 176.094 -0.240 0.000 1.045 449 V CA 1.492 63.521 62.300 -0.450 0.000 1.024 449 V CB -0.651 30.645 31.823 -0.878 0.000 0.651 449 V HN 0.405 nan 8.190 nan 0.000 0.449 450 F N 1.131 120.994 119.950 -0.145 0.000 2.171 450 F HA -0.195 4.214 4.527 -0.197 0.000 0.300 450 F C 2.720 178.457 175.800 -0.105 0.000 1.090 450 F CA 1.391 59.303 58.000 -0.147 0.000 1.293 450 F CB -0.351 38.527 39.000 -0.204 0.000 1.013 450 F HN 0.303 nan 8.300 nan 0.000 0.486 451 S N -0.512 115.252 115.700 0.108 0.000 2.489 451 S HA 0.164 4.516 4.470 -0.197 0.000 0.228 451 S C 1.834 176.449 174.600 0.025 0.000 0.995 451 S CA 0.694 58.924 58.200 0.051 0.000 0.934 451 S CB -0.009 63.217 63.200 0.043 0.000 0.771 451 S HN 0.586 nan 8.310 nan 0.000 0.522 452 G N 1.479 110.286 108.800 0.011 0.000 2.175 452 G HA2 -0.336 3.506 3.960 -0.197 0.000 0.244 452 G HA3 -0.336 3.506 3.960 -0.197 0.000 0.244 452 G C 0.819 175.722 174.900 0.005 0.000 0.982 452 G CA 0.419 45.523 45.100 0.007 0.000 0.641 452 G HN 0.571 nan 8.290 nan 0.000 0.527 453 R N 0.279 120.779 120.500 0.000 0.000 2.120 453 R HA 0.042 4.264 4.340 -0.197 0.000 0.234 453 R C 0.496 176.802 176.300 0.010 0.000 1.123 453 R CA 1.863 57.965 56.100 0.003 0.000 0.975 453 R CB -0.107 30.193 30.300 0.001 0.000 0.866 453 R HN 0.332 nan 8.270 nan 0.000 0.446 454 T N 3.563 118.110 114.554 -0.012 0.000 3.053 454 T HA 0.315 4.547 4.350 -0.197 0.000 0.363 454 T C -2.569 172.189 174.700 0.096 0.000 1.239 454 T CA -1.489 60.629 62.100 0.030 0.000 1.071 454 T CB 1.753 70.570 68.868 -0.085 0.000 1.089 454 T HN 0.135 nan 8.240 nan 0.000 0.527 455 P HA 0.274 nan 4.420 nan 0.000 0.274 455 P C -2.214 175.043 177.300 -0.072 0.000 1.256 455 P CA -1.645 61.475 63.100 0.034 0.000 0.795 455 P CB 0.662 32.359 31.700 -0.006 0.000 1.038 456 P HA -0.190 nan 4.420 nan 0.000 0.217 456 P C 1.709 178.700 177.300 -0.515 0.000 1.148 456 P CA 2.030 64.511 63.100 -1.032 0.000 0.834 456 P CB -0.424 30.886 31.700 -0.651 0.000 0.783 457 S N -1.392 114.184 115.700 -0.206 0.000 2.507 457 S HA -0.057 4.295 4.470 -0.197 0.000 0.235 457 S C 1.565 176.197 174.600 0.053 0.000 0.988 457 S CA 0.672 58.828 58.200 -0.073 0.000 0.944 457 S CB -0.597 62.571 63.200 -0.053 0.000 0.762 457 S HN 0.160 nan 8.310 nan 0.000 0.526 458 R N -1.200 119.391 120.500 0.152 0.000 2.565 458 R HA 0.344 4.566 4.340 -0.197 0.000 0.347 458 R C 0.688 177.329 176.300 0.568 0.000 1.010 458 R CA -0.264 56.059 56.100 0.373 0.000 1.126 458 R CB -0.060 30.475 30.300 0.392 0.000 1.331 458 R HN 0.480 nan 8.270 nan 0.000 0.552 459 Y N 0.976 121.493 120.300 0.361 0.000 2.040 459 Y HA -0.377 4.051 4.550 -0.204 0.000 0.275 459 Y C 2.093 178.427 175.900 0.724 0.000 1.171 459 Y CA 1.255 59.697 58.100 0.569 0.000 1.123 459 Y CB 0.003 38.755 38.460 0.487 0.000 0.963 459 Y HN 0.149 nan 8.280 nan 0.000 0.493 460 N N -0.273 118.880 118.700 0.755 0.000 2.250 460 N HA -0.138 4.484 4.740 -0.197 0.000 0.181 460 N C 1.516 177.485 175.510 0.765 0.000 1.017 460 N CA 0.644 54.116 53.050 0.703 0.000 0.866 460 N CB -0.519 38.347 38.487 0.633 0.000 0.985 460 N HN 0.294 nan 8.380 nan 0.000 0.429 461 F N 1.217 121.471 119.950 0.506 0.000 2.065 461 F HA -0.245 4.183 4.527 -0.166 0.000 0.298 461 F C 1.581 177.665 175.800 0.474 0.000 1.112 461 F CA 1.608 59.868 58.000 0.434 0.000 1.212 461 F CB -0.023 39.156 39.000 0.300 0.000 0.975 461 F HN 0.024 nan 8.300 nan 0.000 0.476 462 D N -0.157 120.483 120.400 0.400 0.000 2.183 462 D HA -0.209 4.314 4.640 -0.197 0.000 0.203 462 D C 1.913 178.504 176.300 0.485 0.000 0.969 462 D CA 0.981 55.159 54.000 0.297 0.000 0.842 462 D CB -0.798 40.186 40.800 0.307 0.000 0.957 462 D HN 0.559 nan 8.370 nan 0.000 0.484 463 W N 0.338 121.850 121.300 0.354 0.000 2.333 463 W HA -0.231 4.311 4.660 -0.198 0.000 0.316 463 W C 1.493 177.909 176.519 -0.171 0.000 1.215 463 W CA 0.953 58.235 57.345 -0.105 0.000 1.278 463 W CB -0.713 28.463 29.460 -0.473 0.000 1.154 463 W HN 0.073 nan 8.180 nan 0.000 0.486 464 W N -0.567 120.856 121.300 0.203 0.000 2.467 464 W HA -0.181 4.358 4.660 -0.202 0.000 0.275 464 W C 2.360 178.879 176.519 -0.000 0.000 1.239 464 W CA 1.251 58.631 57.345 0.058 0.000 1.266 464 W CB -1.160 28.433 29.460 0.220 0.000 1.112 464 W HN 0.010 nan 8.180 nan 0.000 0.576 465 Y N 0.677 121.027 120.300 0.084 0.000 2.128 465 Y HA -0.271 4.278 4.550 -0.002 0.000 0.284 465 Y C 2.059 177.929 175.900 -0.049 0.000 1.154 465 Y CA 1.970 60.049 58.100 -0.036 0.000 1.149 465 Y CB -0.673 37.672 38.460 -0.192 0.000 0.976 465 Y HN -0.147 nan 8.280 nan 0.000 0.505 466 L N -0.220 120.966 121.223 -0.061 0.000 2.109 466 L HA -0.166 4.056 4.340 -0.197 0.000 0.207 466 L C 2.662 179.385 176.870 -0.245 0.000 1.086 466 L CA 0.941 55.697 54.840 -0.140 0.000 0.760 466 L CB -0.476 41.541 42.059 -0.070 0.000 0.910 466 L HN 0.141 nan 8.230 nan 0.000 0.437 467 R N -0.466 119.790 120.500 -0.407 0.000 2.075 467 R HA -0.091 4.131 4.340 -0.197 0.000 0.232 467 R C 2.216 178.432 176.300 -0.139 0.000 1.126 467 R CA 1.812 57.685 56.100 -0.378 0.000 0.963 467 R CB -0.984 28.928 30.300 -0.647 0.000 0.858 467 R HN 0.349 nan 8.270 nan 0.000 0.435 468 T N 1.427 115.936 114.554 -0.075 0.000 2.737 468 T HA -0.116 4.117 4.350 -0.197 0.000 0.265 468 T C 1.835 176.509 174.700 -0.043 0.000 1.038 468 T CA 1.278 63.326 62.100 -0.087 0.000 1.144 468 T CB -0.059 68.824 68.868 0.025 0.000 0.866 468 T HN 0.283 nan 8.240 nan 0.000 0.434 469 K N -0.149 120.124 120.400 -0.211 0.000 2.032 469 K HA -0.158 4.044 4.320 -0.197 0.000 0.209 469 K C 1.938 178.453 176.600 -0.141 0.000 1.048 469 K CA 1.643 57.752 56.287 -0.296 0.000 0.927 469 K CB -0.190 31.826 32.500 -0.807 0.000 0.712 469 K HN 0.447 nan 8.250 nan 0.000 0.441 470 Y N -0.024 120.266 120.300 -0.017 0.000 2.266 470 Y HA 0.030 4.451 4.550 -0.216 0.000 0.294 470 Y C 2.432 178.361 175.900 0.048 0.000 1.127 470 Y CA 0.683 58.787 58.100 0.006 0.000 1.140 470 Y CB 0.184 38.498 38.460 -0.243 0.000 1.071 470 Y HN 0.063 nan 8.280 nan 0.000 0.525 471 Q N -0.412 119.428 119.800 0.066 0.000 2.389 471 Q HA 0.110 4.332 4.340 -0.197 0.000 0.204 471 Q C 1.114 177.053 176.000 -0.102 0.000 0.944 471 Q CA 0.584 56.426 55.803 0.064 0.000 0.908 471 Q CB 0.278 29.075 28.738 0.099 0.000 1.002 471 Q HN 0.616 nan 8.270 nan 0.000 0.493 472 G N 2.371 110.692 108.800 -0.799 0.000 2.295 472 G HA2 -0.258 3.584 3.960 -0.197 0.000 0.287 472 G HA3 -0.258 3.584 3.960 -0.197 0.000 0.287 472 G C 0.071 174.564 174.900 -0.678 0.000 1.055 472 G CA 0.715 44.598 45.100 -2.029 0.000 0.922 472 G HN 0.467 nan 8.290 nan 0.000 0.503 473 I N -2.904 117.489 120.570 -0.295 0.000 2.910 473 I HA 0.897 4.950 4.170 -0.197 0.000 0.310 473 I C 0.574 176.686 176.117 -0.009 0.000 1.043 473 I CA -1.262 59.999 61.300 -0.065 0.000 1.053 473 I CB 2.164 40.212 38.000 0.079 0.000 1.242 473 I HN 0.497 nan 8.210 nan 0.000 0.452 474 C N 1.385 120.648 119.300 -0.062 0.000 2.898 474 C HA 0.774 5.116 4.460 -0.197 0.000 0.304 474 C C -2.759 171.975 174.990 -0.426 0.000 1.237 474 C CA -2.055 56.820 59.018 -0.239 0.000 1.529 474 C CB 1.735 29.195 27.740 -0.468 0.000 2.021 474 C HN 0.676 nan 8.230 nan 0.000 0.474 475 P HA 0.263 nan 4.420 nan 0.000 0.271 475 P C -2.106 174.811 177.300 -0.638 0.000 1.216 475 P CA -0.928 61.609 63.100 -0.939 0.000 0.776 475 P CB 0.582 31.619 31.700 -1.106 0.000 0.881 476 P HA -0.027 nan 4.420 nan 0.000 0.236 476 P C 0.337 177.358 177.300 -0.466 0.000 1.177 476 P CA 0.806 63.517 63.100 -0.648 0.000 0.773 476 P CB 0.285 31.314 31.700 -1.119 0.000 0.878 477 V N -4.560 115.098 119.914 -0.428 0.000 3.001 477 V HA 0.557 4.560 4.120 -0.197 0.000 0.314 477 V C -0.172 175.754 176.094 -0.280 0.000 1.099 477 V CA -0.934 61.188 62.300 -0.298 0.000 0.989 477 V CB 0.940 32.657 31.823 -0.177 0.000 1.040 477 V HN -0.259 nan 8.190 nan 0.000 0.434 478 T N 3.968 118.372 114.554 -0.249 0.000 2.902 478 T HA 0.350 4.582 4.350 -0.197 0.000 0.301 478 T C -0.020 174.598 174.700 -0.136 0.000 1.012 478 T CA -0.073 61.893 62.100 -0.223 0.000 1.151 478 T CB -0.138 68.636 68.868 -0.157 0.000 0.946 478 T HN 0.706 nan 8.240 nan 0.000 0.542 479 R N 2.742 123.177 120.500 -0.109 0.000 2.778 479 R HA 0.607 4.829 4.340 -0.197 0.000 0.277 479 R C -0.031 176.417 176.300 0.248 0.000 0.977 479 R CA -1.024 55.116 56.100 0.066 0.000 0.950 479 R CB 1.341 31.662 30.300 0.036 0.000 1.165 479 R HN 0.861 nan 8.270 nan 0.000 0.474 480 N N -1.423 117.568 118.700 0.484 0.000 3.229 480 N HA 0.169 4.791 4.740 -0.197 0.000 0.315 480 N C 0.062 175.730 175.510 0.262 0.000 1.520 480 N CA -0.704 52.509 53.050 0.271 0.000 0.769 480 N CB 0.616 39.185 38.487 0.135 0.000 1.766 480 N HN 0.215 nan 8.380 nan 0.000 0.618 481 E N -0.717 119.576 120.200 0.155 0.000 2.511 481 E HA 0.015 4.247 4.350 -0.197 0.000 0.196 481 E C 0.520 177.160 176.600 0.067 0.000 1.066 481 E CA 0.561 57.051 56.400 0.150 0.000 0.871 481 E CB -0.523 29.238 29.700 0.101 0.000 0.863 481 E HN 0.674 nan 8.360 nan 0.000 0.520 482 T N -0.125 114.402 114.554 -0.044 0.000 2.904 482 T HA -0.075 4.157 4.350 -0.197 0.000 0.267 482 T C 0.537 175.173 174.700 -0.107 0.000 1.059 482 T CA 0.732 62.753 62.100 -0.133 0.000 1.137 482 T CB -0.164 68.555 68.868 -0.248 0.000 0.879 482 T HN 0.317 nan 8.240 nan 0.000 0.467 483 H N -0.275 118.888 119.070 0.155 0.000 2.629 483 H HA 0.336 4.773 4.556 -0.199 0.000 0.357 483 H C -0.717 174.788 175.328 0.296 0.000 1.121 483 H CA -0.466 55.694 56.048 0.186 0.000 1.406 483 H CB 0.367 30.242 29.762 0.188 0.000 1.456 483 H HN 0.071 nan 8.280 nan 0.000 0.579 484 F N 3.061 123.103 119.950 0.154 0.000 2.710 484 F HA 0.239 4.644 4.527 -0.203 0.000 0.345 484 F C -0.156 175.538 175.800 -0.178 0.000 1.362 484 F CA -1.234 56.783 58.000 0.029 0.000 1.175 484 F CB 0.306 39.332 39.000 0.043 0.000 1.561 484 F HN 0.545 nan 8.300 nan 0.000 0.593 485 D N 2.029 122.256 120.400 -0.288 0.000 2.219 485 D HA -0.064 4.458 4.640 -0.197 0.000 0.205 485 D C 2.219 177.814 176.300 -1.174 0.000 0.970 485 D CA 1.177 54.932 54.000 -0.408 0.000 0.851 485 D CB 0.158 41.036 40.800 0.130 0.000 0.943 485 D HN 0.535 nan 8.370 nan 0.000 0.488 486 A N 0.927 122.480 122.820 -2.112 0.000 1.978 486 A HA -0.063 4.139 4.320 -0.197 0.000 0.220 486 A C 2.348 178.857 177.584 -1.790 0.000 1.170 486 A CA 1.881 52.302 52.037 -2.694 0.000 0.636 486 A CB -0.940 16.192 19.000 -3.113 0.000 0.810 486 A HN 0.305 nan 8.150 nan 0.000 0.448 487 G N -1.059 106.514 108.800 -2.045 0.000 2.534 487 G HA2 0.166 4.008 3.960 -0.197 0.000 0.217 487 G HA3 0.166 4.008 3.960 -0.197 0.000 0.217 487 G C 1.276 175.826 174.900 -0.583 0.000 1.128 487 G CA 0.867 45.142 45.100 -1.376 0.000 0.784 487 G HN 0.802 nan 8.290 nan 0.000 0.542 488 A N -0.651 121.856 122.820 -0.522 0.000 2.259 488 A HA 0.404 4.607 4.320 -0.197 0.000 0.208 488 A C 1.036 178.935 177.584 0.524 0.000 1.201 488 A CA 0.312 52.261 52.037 -0.147 0.000 0.824 488 A CB -0.074 18.562 19.000 -0.607 0.000 0.838 488 A HN 0.205 nan 8.150 nan 0.000 0.485 489 K N -0.720 119.743 120.400 0.106 0.000 2.307 489 K HA 0.440 4.642 4.320 -0.197 0.000 0.263 489 K C 0.248 176.685 176.600 -0.273 0.000 0.973 489 K CA -1.016 55.239 56.287 -0.053 0.000 0.846 489 K CB 0.254 32.583 32.500 -0.286 0.000 1.100 489 K HN 0.081 nan 8.250 nan 0.000 0.438 490 F N 4.490 124.115 119.950 -0.541 0.000 2.063 490 F HA -0.360 4.049 4.527 -0.197 0.000 0.297 490 F C 1.447 176.785 175.800 -0.769 0.000 1.099 490 F CA 2.168 59.493 58.000 -1.125 0.000 1.220 490 F CB 0.005 38.403 39.000 -1.003 0.000 0.972 490 F HN 0.788 nan 8.300 nan 0.000 0.487 491 H N -0.993 117.849 119.070 -0.381 0.000 2.491 491 H HA -0.081 4.358 4.556 -0.195 0.000 0.290 491 H C 2.356 177.530 175.328 -0.255 0.000 1.050 491 H CA 1.286 57.198 56.048 -0.226 0.000 1.309 491 H CB -0.411 29.464 29.762 0.189 0.000 1.392 491 H HN 0.304 nan 8.280 nan 0.000 0.554 492 V N 2.080 121.849 119.914 -0.242 0.000 2.239 492 V HA -0.142 3.860 4.120 -0.197 0.000 0.242 492 V C -0.347 175.642 176.094 -0.176 0.000 1.038 492 V CA 1.682 63.852 62.300 -0.216 0.000 1.002 492 V CB -1.315 30.201 31.823 -0.511 0.000 0.641 492 V HN 0.372 nan 8.190 nan 0.000 0.449 493 P HA -0.116 nan 4.420 nan 0.000 0.222 493 P C 0.858 177.953 177.300 -0.341 0.000 1.147 493 P CA 1.256 64.225 63.100 -0.218 0.000 0.790 493 P CB -0.172 31.406 31.700 -0.203 0.000 0.780 494 N N 0.232 118.597 118.700 -0.559 0.000 2.322 494 N HA 0.044 4.666 4.740 -0.197 0.000 0.194 494 N C 0.566 175.904 175.510 -0.287 0.000 1.126 494 N CA 0.394 53.105 53.050 -0.566 0.000 0.845 494 N CB 0.263 38.047 38.487 -1.172 0.000 0.976 494 N HN -0.037 nan 8.380 nan 0.000 0.475 495 V N -1.222 118.603 119.914 -0.149 0.000 5.479 495 V HA -0.234 3.768 4.120 -0.197 0.000 0.289 495 V C -0.222 175.981 176.094 0.180 0.000 0.595 495 V CA 1.203 63.568 62.300 0.109 0.000 0.649 495 V CB -2.984 28.813 31.823 -0.043 0.000 0.390 495 V HN 0.254 nan 8.190 nan 0.000 0.974 496 T N 2.620 117.234 114.554 0.100 0.000 2.824 496 T HA 0.730 4.962 4.350 -0.197 0.000 0.282 496 T C -2.433 172.306 174.700 0.064 0.000 0.993 496 T CA -1.606 60.517 62.100 0.038 0.000 0.967 496 T CB 2.032 70.954 68.868 0.089 0.000 0.960 496 T HN 0.510 nan 8.240 nan 0.000 0.441 497 P HA 0.196 nan 4.420 nan 0.000 0.270 497 P C -0.702 176.728 177.300 0.216 0.000 1.223 497 P CA -0.069 62.948 63.100 -0.139 0.000 0.785 497 P CB 0.493 31.999 31.700 -0.324 0.000 0.923 498 Y N 0.888 121.278 120.300 0.150 0.000 2.535 498 Y HA 0.164 4.596 4.550 -0.196 0.000 0.264 498 Y C 1.894 177.914 175.900 0.200 0.000 1.087 498 Y CA 0.163 58.374 58.100 0.185 0.000 1.285 498 Y CB -0.178 38.305 38.460 0.037 0.000 1.200 498 Y HN 0.137 nan 8.280 nan 0.000 0.514 499 I N 1.732 122.462 120.570 0.267 0.000 2.423 499 I HA -0.314 3.738 4.170 -0.197 0.000 0.254 499 I C 2.504 178.785 176.117 0.274 0.000 1.151 499 I CA 1.530 62.993 61.300 0.272 0.000 1.421 499 I CB -0.388 37.846 38.000 0.390 0.000 1.079 499 I HN 0.243 nan 8.210 nan 0.000 0.431 500 R N -0.453 120.164 120.500 0.195 0.000 2.133 500 R HA -0.271 3.951 4.340 -0.197 0.000 0.247 500 R C 2.055 178.351 176.300 -0.007 0.000 1.151 500 R CA 2.333 58.488 56.100 0.090 0.000 0.971 500 R CB -1.536 28.689 30.300 -0.124 0.000 0.866 500 R HN 0.405 nan 8.270 nan 0.000 0.447 501 Y N -0.221 120.142 120.300 0.106 0.000 2.286 501 Y HA -0.076 4.355 4.550 -0.199 0.000 0.293 501 Y C 2.257 178.345 175.900 0.314 0.000 1.124 501 Y CA 0.858 59.042 58.100 0.139 0.000 1.178 501 Y CB -0.325 38.064 38.460 -0.118 0.000 1.010 501 Y HN 0.008 nan 8.280 nan 0.000 0.536 502 F N 0.177 120.288 119.950 0.268 0.000 2.102 502 F HA -0.204 4.214 4.527 -0.182 0.000 0.298 502 F C 2.108 178.018 175.800 0.184 0.000 1.105 502 F CA 1.176 59.287 58.000 0.185 0.000 1.239 502 F CB -0.666 38.368 39.000 0.057 0.000 0.991 502 F HN -0.205 nan 8.300 nan 0.000 0.474 503 V N 0.458 120.478 119.914 0.177 0.000 2.287 503 V HA -0.333 3.669 4.120 -0.197 0.000 0.248 503 V C 2.723 178.806 176.094 -0.017 0.000 1.053 503 V CA 2.163 64.489 62.300 0.044 0.000 1.027 503 V CB -1.273 30.639 31.823 0.148 0.000 0.646 503 V HN 0.604 nan 8.190 nan 0.000 0.447 504 S N -0.268 115.487 115.700 0.093 0.000 2.382 504 S HA -0.197 4.155 4.470 -0.197 0.000 0.228 504 S C 1.910 176.519 174.600 0.014 0.000 1.027 504 S CA 1.500 59.722 58.200 0.037 0.000 0.991 504 S CB -0.739 62.550 63.200 0.149 0.000 0.823 504 S HN 0.428 nan 8.310 nan 0.000 0.469 505 F N 1.609 121.508 119.950 -0.085 0.000 2.293 505 F HA 0.103 4.515 4.527 -0.192 0.000 0.300 505 F C 2.423 178.221 175.800 -0.005 0.000 1.086 505 F CA 0.280 58.257 58.000 -0.040 0.000 1.375 505 F CB -0.458 38.583 39.000 0.069 0.000 1.045 505 F HN 0.100 nan 8.300 nan 0.000 0.516 506 V N -0.866 119.043 119.914 -0.008 0.000 2.379 506 V HA -0.188 3.814 4.120 -0.197 0.000 0.243 506 V C 2.233 178.286 176.094 -0.069 0.000 1.035 506 V CA 0.990 63.260 62.300 -0.051 0.000 1.035 506 V CB -0.613 31.080 31.823 -0.217 0.000 0.673 506 V HN 0.188 nan 8.190 nan 0.000 0.457 507 L N 1.097 122.179 121.223 -0.235 0.000 2.083 507 L HA -0.220 4.003 4.340 -0.197 0.000 0.209 507 L C 2.700 179.139 176.870 -0.718 0.000 1.083 507 L CA 2.270 56.802 54.840 -0.513 0.000 0.752 507 L CB -0.833 40.822 42.059 -0.672 0.000 0.899 507 L HN 0.627 nan 8.230 nan 0.000 0.433 508 Q N -2.271 117.199 119.800 -0.550 0.000 2.226 508 Q HA -0.229 3.993 4.340 -0.197 0.000 0.204 508 Q C 2.042 177.755 176.000 -0.478 0.000 0.975 508 Q CA 1.895 57.356 55.803 -0.570 0.000 0.866 508 Q CB -0.745 27.614 28.738 -0.631 0.000 0.915 508 Q HN 0.464 nan 8.270 nan 0.000 0.440 509 F N 1.493 121.305 119.950 -0.229 0.000 2.293 509 F HA -0.009 4.400 4.527 -0.197 0.000 0.297 509 F C 2.503 178.306 175.800 0.005 0.000 1.089 509 F CA 1.004 58.940 58.000 -0.106 0.000 1.377 509 F CB -0.026 38.901 39.000 -0.121 0.000 1.051 509 F HN 0.056 nan 8.300 nan 0.000 0.511 510 Q N -0.485 119.370 119.800 0.093 0.000 2.084 510 Q HA -0.166 4.056 4.340 -0.197 0.000 0.202 510 Q C 2.134 178.262 176.000 0.213 0.000 0.978 510 Q CA 1.378 57.246 55.803 0.109 0.000 0.844 510 Q CB -0.319 28.440 28.738 0.035 0.000 0.898 510 Q HN 0.308 nan 8.270 nan 0.000 0.426 511 F N -0.005 119.926 119.950 -0.033 0.000 2.102 511 F HA -0.186 4.225 4.527 -0.195 0.000 0.298 511 F C 2.337 178.125 175.800 -0.021 0.000 1.105 511 F CA 1.570 59.533 58.000 -0.062 0.000 1.239 511 F CB -1.311 37.605 39.000 -0.141 0.000 0.991 511 F HN 0.242 nan 8.300 nan 0.000 0.474 512 H N 0.057 119.170 119.070 0.072 0.000 2.352 512 H HA -0.162 4.276 4.556 -0.196 0.000 0.299 512 H C 2.262 177.626 175.328 0.061 0.000 1.097 512 H CA 2.245 58.293 56.048 -0.001 0.000 1.311 512 H CB -0.264 29.439 29.762 -0.098 0.000 1.377 512 H HN 0.374 nan 8.280 nan 0.000 0.504 513 E N -0.337 119.924 120.200 0.101 0.000 2.051 513 E HA -0.190 4.042 4.350 -0.197 0.000 0.192 513 E C 2.297 178.912 176.600 0.026 0.000 0.991 513 E CA 1.009 57.443 56.400 0.056 0.000 0.799 513 E CB -0.266 29.517 29.700 0.138 0.000 0.748 513 E HN 0.572 nan 8.360 nan 0.000 0.449 514 A N 0.994 123.853 122.820 0.064 0.000 1.902 514 A HA -0.140 4.062 4.320 -0.197 0.000 0.217 514 A C 2.217 179.800 177.584 -0.003 0.000 1.181 514 A CA 1.178 53.242 52.037 0.045 0.000 0.623 514 A CB -0.622 18.422 19.000 0.073 0.000 0.818 514 A HN 0.310 nan 8.150 nan 0.000 0.443 515 L N -0.942 120.265 121.223 -0.028 0.000 2.093 515 L HA -0.206 4.016 4.340 -0.197 0.000 0.208 515 L C 2.685 179.510 176.870 -0.075 0.000 1.085 515 L CA 1.041 55.846 54.840 -0.057 0.000 0.755 515 L CB -0.696 41.327 42.059 -0.059 0.000 0.904 515 L HN 0.475 nan 8.230 nan 0.000 0.435 516 c N -0.185 118.334 118.600 -0.135 0.000 2.429 516 c HA -0.174 4.278 4.570 -0.197 0.000 0.277 516 c C 2.897 177.000 174.090 0.020 0.000 1.262 516 c CA 0.815 57.075 56.329 -0.115 0.000 1.733 516 c CB -0.625 41.742 42.510 -0.240 0.000 2.010 516 c HN 0.449 nan 8.230 nan 0.000 0.483 517 K N 0.998 121.406 120.400 0.014 0.000 2.026 517 K HA -0.215 3.987 4.320 -0.197 0.000 0.208 517 K C 2.014 178.623 176.600 0.015 0.000 1.048 517 K CA 1.874 58.177 56.287 0.027 0.000 0.929 517 K CB -0.205 32.310 32.500 0.024 0.000 0.713 517 K HN 0.358 nan 8.250 nan 0.000 0.439 518 E N 0.412 120.613 120.200 0.000 0.000 2.110 518 E HA -0.123 4.109 4.350 -0.197 0.000 0.193 518 E C 1.482 178.077 176.600 -0.008 0.000 0.988 518 E CA 1.446 57.841 56.400 -0.008 0.000 0.804 518 E CB -0.196 29.492 29.700 -0.020 0.000 0.745 518 E HN 0.404 nan 8.360 nan 0.000 0.458 519 A N -0.595 122.223 122.820 -0.005 0.000 2.172 519 A HA 0.177 4.379 4.320 -0.197 0.000 0.216 519 A C 1.888 179.488 177.584 0.027 0.000 1.154 519 A CA 1.255 53.292 52.037 0.001 0.000 0.701 519 A CB -0.796 18.201 19.000 -0.005 0.000 0.789 519 A HN 0.554 nan 8.150 nan 0.000 0.465 520 G N -2.797 106.024 108.800 0.035 0.000 2.157 520 G HA2 -0.320 3.522 3.960 -0.197 0.000 0.248 520 G HA3 -0.320 3.522 3.960 -0.197 0.000 0.248 520 G C 0.073 175.000 174.900 0.046 0.000 0.979 520 G CA 0.260 45.376 45.100 0.026 0.000 0.650 520 G HN 0.901 nan 8.290 nan 0.000 0.529 521 Y N 1.409 121.681 120.300 -0.048 0.000 2.425 521 Y HA 0.505 4.937 4.550 -0.197 0.000 0.331 521 Y C 1.098 176.967 175.900 -0.051 0.000 1.157 521 Y CA 0.443 58.512 58.100 -0.052 0.000 1.372 521 Y CB 0.781 39.202 38.460 -0.064 0.000 1.253 521 Y HN 0.116 nan 8.280 nan 0.000 0.536 522 E N 3.272 122.992 120.200 -0.799 0.000 2.572 522 E HA 0.179 4.411 4.350 -0.197 0.000 0.220 522 E C 0.640 176.877 176.600 -0.604 0.000 0.945 522 E CA 0.279 56.369 56.400 -0.517 0.000 1.070 522 E CB 0.862 30.386 29.700 -0.293 0.000 1.090 522 E HN 0.883 nan 8.360 nan 0.000 0.506 523 G N 2.251 110.370 108.800 -1.135 0.000 2.509 523 G HA2 0.364 4.206 3.960 -0.197 0.000 0.269 523 G HA3 0.364 4.206 3.960 -0.197 0.000 0.269 523 G C -2.457 172.336 174.900 -0.179 0.000 1.416 523 G CA -0.935 43.833 45.100 -0.553 0.000 1.052 523 G HN -0.131 nan 8.290 nan 0.000 0.542 524 P HA 0.091 nan 4.420 nan 0.000 0.268 524 P C 0.853 178.151 177.300 -0.005 0.000 1.204 524 P CA -0.532 62.525 63.100 -0.072 0.000 0.768 524 P CB 0.937 32.471 31.700 -0.278 0.000 0.842 525 L N 3.925 125.182 121.223 0.056 0.000 2.079 525 L HA -0.199 4.023 4.340 -0.197 0.000 0.210 525 L C 2.114 179.020 176.870 0.060 0.000 1.081 525 L CA 1.866 56.783 54.840 0.127 0.000 0.752 525 L CB -1.224 40.968 42.059 0.222 0.000 0.896 525 L HN 0.541 nan 8.230 nan 0.000 0.433 526 H N -1.818 117.132 119.070 -0.201 0.000 2.556 526 H HA 0.012 4.450 4.556 -0.196 0.000 0.268 526 H C 1.170 176.438 175.328 -0.100 0.000 0.996 526 H CA 0.735 56.540 56.048 -0.405 0.000 1.157 526 H CB -0.138 29.139 29.762 -0.808 0.000 1.355 526 H HN 0.558 nan 8.280 nan 0.000 0.597 527 Q N 0.390 119.957 119.800 -0.389 0.000 2.247 527 Q HA 0.141 4.363 4.340 -0.197 0.000 0.211 527 Q C 0.327 176.138 176.000 -0.315 0.000 0.861 527 Q CA -0.291 55.343 55.803 -0.281 0.000 0.949 527 Q CB 0.850 29.443 28.738 -0.243 0.000 1.115 527 Q HN 0.349 nan 8.270 nan 0.000 0.507 528 c N 1.976 120.273 118.600 -0.505 0.000 2.653 528 c HA 0.169 4.621 4.570 -0.197 0.000 0.421 528 c C -0.125 173.748 174.090 -0.362 0.000 1.334 528 c CA 0.025 55.768 56.329 -0.977 0.000 1.885 528 c CB 0.017 41.968 42.510 -0.931 0.000 2.645 528 c HN 0.304 nan 8.230 nan 0.000 0.601 529 D N 3.628 123.832 120.400 -0.325 0.000 2.620 529 D HA 0.314 4.836 4.640 -0.197 0.000 0.252 529 D C 0.538 176.829 176.300 -0.016 0.000 1.207 529 D CA -0.612 53.354 54.000 -0.056 0.000 0.884 529 D CB 0.850 41.672 40.800 0.037 0.000 1.262 529 D HN 0.598 nan 8.370 nan 0.000 0.552 530 I N 1.243 121.855 120.570 0.070 0.000 3.684 530 I HA 0.273 4.325 4.170 -0.197 0.000 0.304 530 I C 0.328 176.427 176.117 -0.029 0.000 1.278 530 I CA -0.505 60.814 61.300 0.031 0.000 1.272 530 I CB -0.388 37.635 38.000 0.039 0.000 1.029 530 I HN 0.222 nan 8.210 nan 0.000 0.458 531 Y N 3.914 124.064 120.300 -0.250 0.000 2.881 531 Y HA -0.060 4.372 4.550 -0.197 0.000 0.335 531 Y C 1.225 176.919 175.900 -0.343 0.000 1.263 531 Y CA 0.306 58.021 58.100 -0.642 0.000 1.572 531 Y CB 0.126 38.359 38.460 -0.378 0.000 1.237 531 Y HN 0.360 nan 8.280 nan 0.000 0.568 532 R N 1.519 121.560 120.500 -0.766 0.000 3.963 532 R HA -0.208 4.014 4.340 -0.197 0.000 0.394 532 R C -0.100 176.027 176.300 -0.288 0.000 1.131 532 R CA 0.912 56.672 56.100 -0.567 0.000 1.059 532 R CB -1.890 28.050 30.300 -0.600 0.000 1.614 532 R HN 0.498 nan 8.270 nan 0.000 0.546 533 S N 0.601 116.169 115.700 -0.220 0.000 2.409 533 S HA 0.176 4.528 4.470 -0.197 0.000 0.308 533 S C 1.539 176.069 174.600 -0.117 0.000 1.080 533 S CA 0.161 58.283 58.200 -0.130 0.000 1.081 533 S CB 1.038 64.187 63.200 -0.086 0.000 1.009 533 S HN 0.309 nan 8.310 nan 0.000 0.502 534 T N 3.000 117.492 114.554 -0.104 0.000 2.951 534 T HA 0.023 4.255 4.350 -0.197 0.000 0.268 534 T C 1.578 176.239 174.700 -0.064 0.000 1.073 534 T CA 0.623 62.672 62.100 -0.084 0.000 1.134 534 T CB -0.138 68.684 68.868 -0.076 0.000 0.884 534 T HN 0.571 nan 8.240 nan 0.000 0.479 535 K N 1.215 121.581 120.400 -0.057 0.000 2.025 535 K HA 0.134 4.336 4.320 -0.197 0.000 0.207 535 K C 2.834 179.405 176.600 -0.048 0.000 1.049 535 K CA 1.198 57.458 56.287 -0.045 0.000 0.933 535 K CB -0.542 31.936 32.500 -0.036 0.000 0.714 535 K HN 0.454 nan 8.250 nan 0.000 0.438 536 A N 1.298 124.086 122.820 -0.053 0.000 1.908 536 A HA -0.125 4.077 4.320 -0.197 0.000 0.218 536 A C 2.411 179.955 177.584 -0.066 0.000 1.181 536 A CA 2.085 54.087 52.037 -0.057 0.000 0.627 536 A CB -1.244 17.724 19.000 -0.053 0.000 0.818 536 A HN 0.438 nan 8.150 nan 0.000 0.445 537 G N -0.471 108.289 108.800 -0.065 0.000 2.476 537 G HA2 -0.065 3.778 3.960 -0.197 0.000 0.218 537 G HA3 -0.065 3.778 3.960 -0.197 0.000 0.218 537 G C 1.747 176.609 174.900 -0.062 0.000 1.164 537 G CA 1.636 46.698 45.100 -0.062 0.000 0.768 537 G HN 0.862 nan 8.290 nan 0.000 0.560 538 A N 0.358 123.145 122.820 -0.056 0.000 1.930 538 A HA 0.044 4.247 4.320 -0.197 0.000 0.217 538 A C 2.215 179.766 177.584 -0.055 0.000 1.175 538 A CA 2.072 54.079 52.037 -0.049 0.000 0.627 538 A CB -0.366 18.610 19.000 -0.039 0.000 0.815 538 A HN 0.410 nan 8.150 nan 0.000 0.443 539 K N -0.842 119.521 120.400 -0.062 0.000 2.025 539 K HA -0.111 4.091 4.320 -0.197 0.000 0.207 539 K C 1.900 178.434 176.600 -0.111 0.000 1.049 539 K CA 1.399 57.643 56.287 -0.071 0.000 0.933 539 K CB -0.273 32.186 32.500 -0.068 0.000 0.714 539 K HN 0.322 nan 8.250 nan 0.000 0.438 540 L N 1.703 122.845 121.223 -0.135 0.000 2.046 540 L HA -0.147 4.075 4.340 -0.197 0.000 0.208 540 L C 2.371 179.136 176.870 -0.175 0.000 1.077 540 L CA 1.666 56.390 54.840 -0.194 0.000 0.747 540 L CB -0.541 41.410 42.059 -0.179 0.000 0.896 540 L HN 0.135 nan 8.230 nan 0.000 0.432 541 R N -0.522 119.907 120.500 -0.119 0.000 2.105 541 R HA -0.198 4.024 4.340 -0.197 0.000 0.239 541 R C 2.315 178.571 176.300 -0.074 0.000 1.135 541 R CA 1.681 57.723 56.100 -0.097 0.000 0.967 541 R CB -0.112 30.149 30.300 -0.064 0.000 0.861 541 R HN 0.359 nan 8.270 nan 0.000 0.442 542 K N -0.367 119.999 120.400 -0.058 0.000 2.063 542 K HA -0.123 4.079 4.320 -0.197 0.000 0.208 542 K C 1.978 178.572 176.600 -0.009 0.000 1.048 542 K CA 1.650 57.922 56.287 -0.024 0.000 0.928 542 K CB -0.045 32.444 32.500 -0.017 0.000 0.713 542 K HN 0.058 nan 8.250 nan 0.000 0.442 543 V N 1.913 121.798 119.914 -0.048 0.000 2.295 543 V HA -0.243 3.759 4.120 -0.197 0.000 0.246 543 V C 2.220 178.315 176.094 0.002 0.000 1.049 543 V CA 1.605 63.900 62.300 -0.009 0.000 1.024 543 V CB -0.415 31.348 31.823 -0.101 0.000 0.648 543 V HN 0.279 nan 8.190 nan 0.000 0.447 544 L N -0.575 120.553 121.223 -0.160 0.000 2.046 544 L HA -0.145 4.077 4.340 -0.197 0.000 0.208 544 L C 2.675 179.620 176.870 0.124 0.000 1.077 544 L CA 1.592 56.292 54.840 -0.233 0.000 0.747 544 L CB -0.637 41.183 42.059 -0.399 0.000 0.896 544 L HN 0.213 nan 8.230 nan 0.000 0.432 545 R N -0.027 120.518 120.500 0.076 0.000 2.235 545 R HA -0.019 4.203 4.340 -0.197 0.000 0.213 545 R C 2.286 178.691 176.300 0.174 0.000 1.059 545 R CA 0.815 56.992 56.100 0.128 0.000 0.997 545 R CB -0.230 30.108 30.300 0.062 0.000 0.884 545 R HN 0.332 nan 8.270 nan 0.000 0.462 546 A N 1.035 123.959 122.820 0.172 0.000 2.014 546 A HA 0.108 4.310 4.320 -0.197 0.000 0.218 546 A C 1.475 179.159 177.584 0.166 0.000 1.163 546 A CA 1.147 53.271 52.037 0.145 0.000 0.652 546 A CB -0.528 18.544 19.000 0.118 0.000 0.808 546 A HN 0.439 nan 8.150 nan 0.000 0.449 547 G N -0.439 108.545 108.800 0.307 0.000 2.611 547 G HA2 -0.342 3.500 3.960 -0.197 0.000 0.301 547 G HA3 -0.342 3.500 3.960 -0.197 0.000 0.301 547 G C 0.872 175.788 174.900 0.026 0.000 1.233 547 G CA 1.650 46.861 45.100 0.186 0.000 0.993 547 G HN 1.702 nan 8.290 nan 0.000 0.553 548 S N -0.346 115.303 115.700 -0.087 0.000 2.601 548 S HA 0.461 4.813 4.470 -0.197 0.000 0.244 548 S C 1.823 176.398 174.600 -0.041 0.000 1.001 548 S CA 0.974 59.127 58.200 -0.079 0.000 0.984 548 S CB 0.507 63.631 63.200 -0.127 0.000 0.842 548 S HN 1.902 nan 8.310 nan 0.000 0.474 549 S N 1.207 116.898 115.700 -0.015 0.000 2.447 549 S HA 0.117 4.469 4.470 -0.197 0.000 0.233 549 S C 0.706 175.312 174.600 0.010 0.000 1.006 549 S CA -0.108 58.092 58.200 0.000 0.000 0.957 549 S CB -0.205 63.004 63.200 0.016 0.000 0.773 549 S HN 0.615 nan 8.310 nan 0.000 0.507 550 R N 0.924 121.431 120.500 0.010 0.000 2.795 550 R HA 0.567 4.789 4.340 -0.197 0.000 0.275 550 R C -3.238 173.065 176.300 0.005 0.000 0.981 550 R CA -2.487 53.620 56.100 0.012 0.000 0.917 550 R CB 0.902 31.215 30.300 0.022 0.000 1.202 550 R HN 0.083 nan 8.270 nan 0.000 0.469 551 P HA -0.095 nan 4.420 nan 0.000 0.266 551 P C 0.551 177.826 177.300 -0.041 0.000 1.195 551 P CA -0.176 62.900 63.100 -0.041 0.000 0.768 551 P CB 0.311 31.951 31.700 -0.099 0.000 0.838 552 W N 3.063 124.328 121.300 -0.058 0.000 2.350 552 W HA -0.193 4.349 4.660 -0.197 0.000 0.289 552 W C 0.662 177.249 176.519 0.114 0.000 1.215 552 W CA 0.796 58.074 57.345 -0.112 0.000 1.236 552 W CB -1.376 27.973 29.460 -0.185 0.000 1.130 552 W HN 0.315 nan 8.180 nan 0.000 0.541 553 Q N 1.242 120.678 119.800 -0.607 0.000 2.124 553 Q HA -0.170 4.052 4.340 -0.197 0.000 0.202 553 Q C 2.134 178.082 176.000 -0.087 0.000 0.977 553 Q CA 2.599 58.093 55.803 -0.517 0.000 0.850 553 Q CB -0.504 27.826 28.738 -0.680 0.000 0.901 553 Q HN 0.481 nan 8.270 nan 0.000 0.429 554 E N -0.499 119.665 120.200 -0.060 0.000 2.107 554 E HA -0.099 4.134 4.350 -0.197 0.000 0.191 554 E C 1.991 178.647 176.600 0.093 0.000 0.982 554 E CA 1.042 57.451 56.400 0.016 0.000 0.809 554 E CB 0.080 29.779 29.700 -0.002 0.000 0.756 554 E HN 0.119 nan 8.360 nan 0.000 0.459 555 V N 1.569 121.565 119.914 0.136 0.000 2.295 555 V HA -0.244 3.758 4.120 -0.197 0.000 0.246 555 V C 2.304 178.593 176.094 0.325 0.000 1.049 555 V CA 1.374 63.799 62.300 0.208 0.000 1.024 555 V CB -0.380 31.562 31.823 0.197 0.000 0.648 555 V HN 0.217 nan 8.190 nan 0.000 0.447 556 L N 0.448 121.957 121.223 0.477 0.000 2.046 556 L HA -0.140 4.082 4.340 -0.197 0.000 0.208 556 L C 2.406 179.453 176.870 0.295 0.000 1.077 556 L CA 2.207 57.355 54.840 0.514 0.000 0.747 556 L CB -0.776 41.693 42.059 0.683 0.000 0.896 556 L HN 0.277 nan 8.230 nan 0.000 0.432 557 K N -0.117 120.408 120.400 0.208 0.000 2.032 557 K HA -0.206 3.996 4.320 -0.197 0.000 0.209 557 K C 1.782 178.450 176.600 0.114 0.000 1.048 557 K CA 2.026 58.394 56.287 0.135 0.000 0.927 557 K CB -0.514 32.037 32.500 0.086 0.000 0.712 557 K HN 0.349 nan 8.250 nan 0.000 0.441 558 D N -0.317 120.148 120.400 0.109 0.000 2.144 558 D HA -0.159 4.363 4.640 -0.197 0.000 0.199 558 D C 1.798 178.142 176.300 0.073 0.000 0.984 558 D CA 1.190 55.238 54.000 0.080 0.000 0.834 558 D CB -0.030 40.813 40.800 0.072 0.000 0.955 558 D HN 0.328 nan 8.370 nan 0.000 0.465 559 M N -0.468 119.190 119.600 0.096 0.000 2.287 559 M HA -0.047 4.315 4.480 -0.197 0.000 0.266 559 M C 1.319 177.665 176.300 0.078 0.000 1.079 559 M CA 0.967 56.300 55.300 0.055 0.000 1.146 559 M CB 0.511 33.118 32.600 0.013 0.000 1.374 559 M HN -0.159 nan 8.290 nan 0.000 0.435 560 V N -1.145 118.848 119.914 0.131 0.000 3.572 560 V HA 0.292 4.295 4.120 -0.197 0.000 0.260 560 V C 1.187 177.352 176.094 0.118 0.000 1.324 560 V CA 0.965 63.352 62.300 0.145 0.000 1.068 560 V CB 0.883 32.836 31.823 0.217 0.000 0.837 560 V HN 0.700 nan 8.190 nan 0.000 0.450 561 G N 0.674 109.540 108.800 0.110 0.000 2.175 561 G HA2 -0.200 3.643 3.960 -0.197 0.000 0.244 561 G HA3 -0.200 3.643 3.960 -0.197 0.000 0.244 561 G C -0.404 174.553 174.900 0.096 0.000 0.982 561 G CA 0.408 45.561 45.100 0.089 0.000 0.641 561 G HN 0.415 nan 8.290 nan 0.000 0.527 562 L N 0.604 121.901 121.223 0.123 0.000 2.445 562 L HA 0.722 4.944 4.340 -0.197 0.000 0.262 562 L C -0.074 176.888 176.870 0.152 0.000 0.974 562 L CA -0.113 54.803 54.840 0.127 0.000 0.822 562 L CB 1.827 43.968 42.059 0.136 0.000 1.339 562 L HN 0.145 nan 8.230 nan 0.000 0.409 563 D N 2.079 122.550 120.400 0.118 0.000 2.358 563 D HA 0.491 5.013 4.640 -0.197 0.000 0.224 563 D C -0.180 176.183 176.300 0.105 0.000 1.123 563 D CA 0.273 54.324 54.000 0.085 0.000 0.833 563 D CB 0.503 41.307 40.800 0.007 0.000 0.946 563 D HN 0.547 nan 8.370 nan 0.000 0.505 564 A N -0.035 122.921 122.820 0.226 0.000 2.556 564 A HA 0.592 4.794 4.320 -0.197 0.000 0.294 564 A C -0.715 177.097 177.584 0.379 0.000 1.091 564 A CA -0.938 51.299 52.037 0.333 0.000 0.704 564 A CB 0.959 20.099 19.000 0.234 0.000 1.300 564 A HN 0.174 nan 8.150 nan 0.000 0.406 565 L N 1.287 122.768 121.223 0.429 0.000 2.485 565 L HA 0.325 4.547 4.340 -0.197 0.000 0.275 565 L C -0.312 176.675 176.870 0.195 0.000 1.207 565 L CA 0.335 55.332 54.840 0.262 0.000 0.855 565 L CB 0.312 42.500 42.059 0.216 0.000 1.114 565 L HN 0.766 nan 8.230 nan 0.000 0.485 566 D N 1.133 121.611 120.400 0.131 0.000 2.990 566 D HA 0.438 4.960 4.640 -0.197 0.000 0.227 566 D C 0.055 176.395 176.300 0.067 0.000 1.249 566 D CA -0.375 53.693 54.000 0.115 0.000 0.891 566 D CB 2.057 42.931 40.800 0.124 0.000 1.647 566 D HN 0.439 nan 8.370 nan 0.000 0.530 567 A N 2.855 125.703 122.820 0.046 0.000 2.132 567 A HA -0.022 4.180 4.320 -0.197 0.000 0.213 567 A C 1.697 179.289 177.584 0.013 0.000 1.154 567 A CA 0.734 52.771 52.037 0.001 0.000 0.753 567 A CB -0.191 18.788 19.000 -0.034 0.000 0.826 567 A HN 0.503 nan 8.150 nan 0.000 0.469 568 Q N 0.760 120.587 119.800 0.045 0.000 2.096 568 Q HA -0.103 4.119 4.340 -0.197 0.000 0.204 568 Q C -0.856 175.187 176.000 0.072 0.000 0.982 568 Q CA 2.437 58.273 55.803 0.055 0.000 0.850 568 Q CB -1.190 27.589 28.738 0.068 0.000 0.901 568 Q HN 0.468 nan 8.270 nan 0.000 0.422 569 P HA -0.124 nan 4.420 nan 0.000 0.217 569 P C 1.321 178.692 177.300 0.118 0.000 1.150 569 P CA 0.912 64.099 63.100 0.145 0.000 0.832 569 P CB -0.140 31.671 31.700 0.185 0.000 0.787 570 L N -1.059 120.154 121.223 -0.016 0.000 2.046 570 L HA -0.160 4.062 4.340 -0.197 0.000 0.208 570 L C 2.160 178.990 176.870 -0.067 0.000 1.077 570 L CA 1.580 56.208 54.840 -0.353 0.000 0.747 570 L CB -0.695 41.116 42.059 -0.413 0.000 0.896 570 L HN -0.104 nan 8.230 nan 0.000 0.432 571 L N -0.089 121.137 121.223 0.005 0.000 2.046 571 L HA -0.260 3.962 4.340 -0.197 0.000 0.208 571 L C 2.698 179.631 176.870 0.105 0.000 1.077 571 L CA 1.651 56.526 54.840 0.059 0.000 0.747 571 L CB -0.603 41.472 42.059 0.027 0.000 0.896 571 L HN 0.322 nan 8.230 nan 0.000 0.432 572 K N -0.295 120.167 120.400 0.103 0.000 2.026 572 K HA -0.265 3.937 4.320 -0.197 0.000 0.208 572 K C 2.308 178.990 176.600 0.136 0.000 1.048 572 K CA 1.614 57.971 56.287 0.116 0.000 0.929 572 K CB -0.343 32.230 32.500 0.121 0.000 0.713 572 K HN 0.132 nan 8.250 nan 0.000 0.439 573 Y N 0.025 120.327 120.300 0.003 0.000 2.114 573 Y HA -0.255 4.177 4.550 -0.196 0.000 0.282 573 Y C 1.437 177.197 175.900 -0.232 0.000 1.165 573 Y CA 2.081 60.129 58.100 -0.088 0.000 1.148 573 Y CB -0.138 38.183 38.460 -0.233 0.000 0.972 573 Y HN 0.057 nan 8.280 nan 0.000 0.504 574 F N -0.280 119.751 119.950 0.134 0.000 2.765 574 F HA 0.046 4.457 4.527 -0.194 0.000 0.302 574 F C 2.297 178.080 175.800 -0.029 0.000 1.111 574 F CA 0.313 58.331 58.000 0.030 0.000 1.359 574 F CB -0.231 38.771 39.000 0.004 0.000 1.097 574 F HN 0.100 nan 8.300 nan 0.000 0.577 575 Q N 0.819 120.693 119.800 0.122 0.000 2.133 575 Q HA -0.244 3.978 4.340 -0.197 0.000 0.208 575 Q C 2.120 178.161 176.000 0.068 0.000 0.991 575 Q CA 1.864 57.720 55.803 0.087 0.000 0.867 575 Q CB -0.216 28.563 28.738 0.069 0.000 0.911 575 Q HN 0.495 nan 8.270 nan 0.000 0.417 576 L N -0.757 120.479 121.223 0.021 0.000 2.046 576 L HA -0.170 4.052 4.340 -0.197 0.000 0.208 576 L C 2.413 179.328 176.870 0.074 0.000 1.077 576 L CA 0.821 55.675 54.840 0.023 0.000 0.747 576 L CB -0.372 41.655 42.059 -0.054 0.000 0.896 576 L HN 0.167 nan 8.230 nan 0.000 0.432 577 V N -0.939 119.012 119.914 0.061 0.000 2.591 577 V HA -0.193 3.810 4.120 -0.197 0.000 0.249 577 V C 2.420 178.608 176.094 0.157 0.000 1.053 577 V CA 1.963 64.332 62.300 0.115 0.000 1.068 577 V CB 0.072 31.940 31.823 0.074 0.000 0.689 577 V HN 0.489 nan 8.190 nan 0.000 0.462 578 T N -0.071 114.556 114.554 0.122 0.000 2.652 578 T HA -0.286 3.947 4.350 -0.197 0.000 0.267 578 T C 1.807 176.553 174.700 0.076 0.000 1.039 578 T CA 2.230 64.376 62.100 0.077 0.000 1.153 578 T CB -0.249 68.658 68.868 0.064 0.000 0.863 578 T HN 0.504 nan 8.240 nan 0.000 0.428 579 Q N -0.237 119.620 119.800 0.096 0.000 2.084 579 Q HA -0.094 4.128 4.340 -0.197 0.000 0.202 579 Q C 1.883 177.949 176.000 0.110 0.000 0.978 579 Q CA 1.671 57.525 55.803 0.085 0.000 0.844 579 Q CB -0.621 28.170 28.738 0.088 0.000 0.898 579 Q HN 0.732 nan 8.270 nan 0.000 0.426 580 W N -0.107 121.176 121.300 -0.028 0.000 2.381 580 W HA -0.082 4.459 4.660 -0.198 0.000 0.301 580 W C 1.444 177.906 176.519 -0.095 0.000 1.205 580 W CA 1.356 58.677 57.345 -0.039 0.000 1.285 580 W CB -0.108 29.337 29.460 -0.025 0.000 1.133 580 W HN 0.199 nan 8.180 nan 0.000 0.521 581 L N 0.133 121.415 121.223 0.098 0.000 2.056 581 L HA -0.249 3.973 4.340 -0.197 0.000 0.207 581 L C 2.699 179.479 176.870 -0.149 0.000 1.078 581 L CA 1.530 56.293 54.840 -0.128 0.000 0.749 581 L CB -1.017 41.014 42.059 -0.047 0.000 0.901 581 L HN 0.057 nan 8.230 nan 0.000 0.433 582 Q N -0.060 119.696 119.800 -0.074 0.000 2.045 582 Q HA -0.274 3.948 4.340 -0.197 0.000 0.206 582 Q C 2.145 178.080 176.000 -0.109 0.000 0.991 582 Q CA 2.046 57.810 55.803 -0.065 0.000 0.851 582 Q CB -0.042 28.676 28.738 -0.032 0.000 0.911 582 Q HN 0.516 nan 8.270 nan 0.000 0.418 583 E N -0.248 119.861 120.200 -0.152 0.000 2.058 583 E HA -0.219 4.013 4.350 -0.197 0.000 0.194 583 E C 2.210 178.658 176.600 -0.253 0.000 0.997 583 E CA 0.985 57.274 56.400 -0.184 0.000 0.801 583 E CB 0.039 29.622 29.700 -0.194 0.000 0.746 583 E HN 0.284 nan 8.360 nan 0.000 0.450 584 Q N 0.563 120.105 119.800 -0.429 0.000 2.050 584 Q HA -0.130 4.092 4.340 -0.197 0.000 0.202 584 Q C 1.910 177.818 176.000 -0.154 0.000 0.980 584 Q CA 1.038 56.599 55.803 -0.403 0.000 0.840 584 Q CB -0.413 27.895 28.738 -0.718 0.000 0.898 584 Q HN 0.282 nan 8.270 nan 0.000 0.424 585 N N 0.961 119.604 118.700 -0.094 0.000 2.120 585 N HA -0.145 4.477 4.740 -0.197 0.000 0.188 585 N C 1.851 177.336 175.510 -0.042 0.000 1.024 585 N CA 1.012 54.052 53.050 -0.017 0.000 0.852 585 N CB -0.193 38.302 38.487 0.015 0.000 1.003 585 N HN 0.382 nan 8.380 nan 0.000 0.424 586 Q N 0.756 120.518 119.800 -0.062 0.000 2.061 586 Q HA -0.136 4.086 4.340 -0.197 0.000 0.204 586 Q C 2.049 178.015 176.000 -0.057 0.000 0.984 586 Q CA 1.326 57.096 55.803 -0.056 0.000 0.846 586 Q CB -0.130 28.573 28.738 -0.058 0.000 0.902 586 Q HN 0.499 nan 8.270 nan 0.000 0.421 587 Q N 0.057 119.813 119.800 -0.074 0.000 2.119 587 Q HA -0.107 4.115 4.340 -0.197 0.000 0.201 587 Q C 1.500 177.467 176.000 -0.055 0.000 0.972 587 Q CA 0.876 56.640 55.803 -0.066 0.000 0.847 587 Q CB 0.039 28.727 28.738 -0.084 0.000 0.903 587 Q HN 0.359 nan 8.270 nan 0.000 0.433 588 N N -0.342 118.324 118.700 -0.055 0.000 2.515 588 N HA -0.005 4.617 4.740 -0.197 0.000 0.185 588 N C 0.567 176.046 175.510 -0.051 0.000 1.109 588 N CA 1.014 54.034 53.050 -0.050 0.000 0.903 588 N CB 0.462 38.923 38.487 -0.044 0.000 0.969 588 N HN 0.360 nan 8.380 nan 0.000 0.450 589 G N 1.234 110.006 108.800 -0.047 0.000 2.272 589 G HA2 -0.247 3.595 3.960 -0.197 0.000 0.280 589 G HA3 -0.247 3.595 3.960 -0.197 0.000 0.280 589 G C -0.257 174.614 174.900 -0.049 0.000 1.067 589 G CA -0.079 44.994 45.100 -0.046 0.000 0.902 589 G HN 0.196 nan 8.290 nan 0.000 0.500 590 E N -0.939 119.237 120.200 -0.040 0.000 2.373 590 E HA 0.399 4.631 4.350 -0.197 0.000 0.263 590 E C 0.462 177.046 176.600 -0.027 0.000 1.073 590 E CA -0.620 55.760 56.400 -0.034 0.000 0.894 590 E CB 2.205 31.902 29.700 -0.006 0.000 1.008 590 E HN 0.382 nan 8.360 nan 0.000 0.420 591 V N 3.799 123.698 119.914 -0.025 0.000 2.407 591 V HA 0.213 4.215 4.120 -0.197 0.000 0.278 591 V C -0.239 175.858 176.094 0.006 0.000 1.037 591 V CA -0.528 61.760 62.300 -0.020 0.000 0.900 591 V CB 0.447 32.252 31.823 -0.030 0.000 0.983 591 V HN 0.431 nan 8.190 nan 0.000 0.459 592 L N 7.935 129.150 121.223 -0.013 0.000 2.331 592 L HA 0.724 4.946 4.340 -0.197 0.000 0.278 592 L C 0.920 177.735 176.870 -0.092 0.000 1.106 592 L CA 0.782 55.616 54.840 -0.011 0.000 0.824 592 L CB 0.624 42.665 42.059 -0.030 0.000 1.142 592 L HN 1.032 nan 8.230 nan 0.000 0.443 593 G N 2.911 111.646 108.800 -0.108 0.000 2.610 593 G HA2 -0.198 3.644 3.960 -0.197 0.000 0.304 593 G HA3 -0.198 3.644 3.960 -0.197 0.000 0.304 593 G C -1.312 173.555 174.900 -0.056 0.000 1.309 593 G CA -0.166 44.656 45.100 -0.465 0.000 0.906 593 G HN 0.889 nan 8.290 nan 0.000 0.521 594 W N -1.726 119.567 121.300 -0.012 0.000 1.890 594 W HA 0.620 5.154 4.660 -0.211 0.000 0.293 594 W C -1.560 175.001 176.519 0.070 0.000 0.895 594 W CA -1.540 55.824 57.345 0.032 0.000 1.968 594 W CB 0.791 30.285 29.460 0.057 0.000 2.198 594 W HN 0.499 nan 8.180 nan 0.000 0.401 595 P HA -0.191 nan 4.420 nan 0.000 0.219 595 P C 0.219 177.627 177.300 0.180 0.000 1.146 595 P CA 1.504 64.662 63.100 0.096 0.000 0.808 595 P CB 0.399 32.115 31.700 0.028 0.000 0.779 596 E N -0.026 120.249 120.200 0.125 0.000 2.261 596 E HA -0.005 4.228 4.350 -0.197 0.000 0.308 596 E C 0.702 177.369 176.600 0.110 0.000 1.400 596 E CA -0.400 56.029 56.400 0.047 0.000 1.542 596 E CB -0.550 29.154 29.700 0.007 0.000 1.369 596 E HN 0.461 nan 8.360 nan 0.000 0.493 597 Y N -0.503 119.922 120.300 0.209 0.000 2.483 597 Y HA -0.172 4.270 4.550 -0.180 0.000 0.291 597 Y C 1.847 177.861 175.900 0.191 0.000 1.143 597 Y CA 0.775 59.021 58.100 0.244 0.000 1.289 597 Y CB -0.162 38.428 38.460 0.218 0.000 0.983 597 Y HN 0.181 nan 8.280 nan 0.000 0.556 598 Q N -0.701 118.947 119.800 -0.254 0.000 2.392 598 Q HA 0.021 4.244 4.340 -0.197 0.000 0.203 598 Q C -0.180 175.881 176.000 0.101 0.000 0.917 598 Q CA -0.399 55.367 55.803 -0.061 0.000 0.939 598 Q CB 0.061 28.653 28.738 -0.243 0.000 1.063 598 Q HN 0.591 nan 8.270 nan 0.000 0.516 599 W N 1.255 122.497 121.300 -0.098 0.000 2.210 599 W HA 0.043 4.583 4.660 -0.201 0.000 0.330 599 W C -0.752 175.657 176.519 -0.183 0.000 1.334 599 W CA 0.682 57.986 57.345 -0.068 0.000 1.227 599 W CB 0.361 29.782 29.460 -0.066 0.000 1.178 599 W HN 0.107 nan 8.180 nan 0.000 0.560 600 H N 5.741 124.214 119.070 -0.996 0.000 2.768 600 H HA 0.422 4.858 4.556 -0.200 0.000 0.371 600 H C -1.996 172.312 175.328 -1.701 0.000 1.151 600 H CA -1.810 53.570 56.048 -1.114 0.000 1.165 600 H CB 1.630 31.042 29.762 -0.582 0.000 1.722 600 H HN 0.194 nan 8.280 nan 0.000 0.543 601 P HA 0.121 nan 4.420 nan 0.000 0.274 601 P C -2.524 174.590 177.300 -0.311 0.000 1.231 601 P CA -1.345 61.357 63.100 -0.663 0.000 0.790 601 P CB 0.444 32.086 31.700 -0.096 0.000 0.951 602 P HA 0.239 nan 4.420 nan 0.000 0.274 602 P C -0.089 177.187 177.300 -0.039 0.000 1.256 602 P CA -0.326 62.701 63.100 -0.122 0.000 0.795 602 P CB 0.710 32.343 31.700 -0.112 0.000 1.038 603 L N 1.216 122.383 121.223 -0.093 0.000 2.436 603 L HA 0.271 4.493 4.340 -0.197 0.000 0.265 603 L C -1.803 175.117 176.870 0.084 0.000 1.168 603 L CA -1.828 52.957 54.840 -0.093 0.000 0.815 603 L CB -0.360 41.522 42.059 -0.296 0.000 1.109 603 L HN 0.276 nan 8.230 nan 0.000 0.462 604 P HA 0.026 nan 4.420 nan 0.000 0.269 604 P C -0.179 177.234 177.300 0.189 0.000 1.209 604 P CA -0.255 62.998 63.100 0.254 0.000 0.776 604 P CB 0.540 32.422 31.700 0.302 0.000 0.876 605 D N 0.594 121.078 120.400 0.140 0.000 2.133 605 D HA -0.153 4.369 4.640 -0.197 0.000 0.195 605 D C 0.720 177.091 176.300 0.119 0.000 0.997 605 D CA 1.515 55.574 54.000 0.098 0.000 0.840 605 D CB -0.284 40.555 40.800 0.064 0.000 0.947 605 D HN 0.408 nan 8.370 nan 0.000 0.452 606 N N -0.219 118.561 118.700 0.134 0.000 2.279 606 N HA -0.047 4.575 4.740 -0.197 0.000 0.226 606 N C -0.185 175.409 175.510 0.140 0.000 1.126 606 N CA -0.237 52.880 53.050 0.112 0.000 0.846 606 N CB 0.357 38.889 38.487 0.073 0.000 1.050 606 N HN 0.256 nan 8.380 nan 0.000 0.502 607 Y N 3.791 124.135 120.300 0.073 0.000 2.717 607 Y HA 0.045 4.478 4.550 -0.196 0.000 0.330 607 Y C -1.378 174.566 175.900 0.074 0.000 1.217 607 Y CA -0.661 57.491 58.100 0.086 0.000 1.506 607 Y CB 0.842 39.355 38.460 0.088 0.000 1.268 607 Y HN 0.088 nan 8.280 nan 0.000 0.561 608 P HA 0.062 nan 4.420 nan 0.000 0.272 608 P C -0.979 176.230 177.300 -0.152 0.000 1.408 608 P CA -0.038 62.722 63.100 -0.567 0.000 0.996 608 P CB 0.100 31.305 31.700 -0.826 0.000 1.481 609 E N 0.440 120.579 120.200 -0.101 0.000 2.318 609 E HA 0.539 4.771 4.350 -0.197 0.000 0.265 609 E C -0.082 176.485 176.600 -0.056 0.000 1.069 609 E CA -0.608 55.740 56.400 -0.086 0.000 0.893 609 E CB 1.295 30.957 29.700 -0.063 0.000 1.076 609 E HN 0.057 nan 8.360 nan 0.000 0.414 610 G N 0.000 108.748 108.800 -0.087 0.000 5.446 610 G HA2 0.000 3.842 3.960 -0.197 0.000 0.244 610 G HA3 0.000 3.842 3.960 -0.197 0.000 0.244 610 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 610 G HN 0.000 nan 8.290 nan 0.000 0.925