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 3d5s_1_A DATA FIRST_RESID 2 DATA SEQUENCE GSRSTDAERL KHLIVTPSGA GEQNMIGMTP TVIAVHYLDE TEQWEKFGLE DATA SEQUENCE KRQGALELIK KGYTQQLAFR QPSSAFAAFV KRAPSTWLTA YVVKVFSLAV DATA SEQUENCE NLIAIDSQVL cGAVKWLILE KQKPDGVFQE DAPVIHQEMI GGLRNNNEKD DATA SEQUENCE MALTAFVLIS LQEAKDIcEE QVNSLPGSIT KAGDFLEANY MNLQRSYTVA DATA SEQUENCE IAGYALAQMG RLKGPLLNKF LTTAKDKNRW EDPGKQLYNV EATSYALLAL DATA SEQUENCE LQLKDFDFVP PVVRWLNEQR YYGGGYGSTQ ATFMVFQALA QYQKDAP 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.985 3.960 0.042 0.000 0.244 2 G C 0.000 175.009 174.900 0.182 0.000 0.946 2 G CA 0.000 45.140 45.100 0.067 0.000 0.502 3 S N -0.695 115.196 115.700 0.318 0.000 2.704 3 S HA 0.707 5.202 4.470 0.042 0.000 0.305 3 S C 0.292 174.995 174.600 0.173 0.000 1.107 3 S CA -0.823 57.504 58.200 0.212 0.000 0.993 3 S CB 1.583 64.891 63.200 0.180 0.000 1.110 3 S HN 0.664 nan 8.310 nan 0.000 0.534 4 R N 1.190 121.758 120.500 0.114 0.000 2.640 4 R HA 0.171 4.536 4.340 0.042 0.000 0.270 4 R C 0.515 176.892 176.300 0.128 0.000 1.024 4 R CA 0.240 56.396 56.100 0.092 0.000 1.085 4 R CB 0.315 30.654 30.300 0.065 0.000 0.963 4 R HN 0.567 nan 8.270 nan 0.000 0.426 5 S N 0.964 116.730 115.700 0.109 0.000 2.584 5 S HA 0.054 4.549 4.470 0.042 0.000 0.270 5 S C -0.276 174.435 174.600 0.186 0.000 1.346 5 S CA -0.448 57.845 58.200 0.155 0.000 1.018 5 S CB 0.582 63.799 63.200 0.028 0.000 0.899 5 S HN 0.551 nan 8.310 nan 0.000 0.542 6 T N 3.702 118.458 114.554 0.338 0.000 2.799 6 T HA 0.088 4.463 4.350 0.042 0.000 0.296 6 T C -0.153 174.634 174.700 0.145 0.000 0.947 6 T CA -0.129 62.123 62.100 0.254 0.000 1.141 6 T CB 0.235 69.279 68.868 0.293 0.000 0.891 6 T HN 0.688 nan 8.240 nan 0.000 0.533 7 D N 2.593 123.003 120.400 0.016 0.000 2.531 7 D HA 0.095 4.760 4.640 0.042 0.000 0.239 7 D C 1.250 177.428 176.300 -0.203 0.000 1.144 7 D CA 0.062 54.010 54.000 -0.087 0.000 0.869 7 D CB 0.545 41.291 40.800 -0.091 0.000 1.160 7 D HN 0.527 nan 8.370 nan 0.000 0.484 8 A N 4.109 126.755 122.820 -0.290 0.000 2.032 8 A HA -0.240 4.105 4.320 0.042 0.000 0.221 8 A C 1.940 179.164 177.584 -0.600 0.000 1.165 8 A CA 1.693 53.380 52.037 -0.583 0.000 0.645 8 A CB -0.494 18.006 19.000 -0.834 0.000 0.807 8 A HN 0.670 nan 8.150 nan 0.000 0.453 9 E N -0.282 119.725 120.200 -0.321 0.000 2.204 9 E HA -0.097 4.278 4.350 0.042 0.000 0.194 9 E C 2.023 178.497 176.600 -0.210 0.000 0.989 9 E CA 0.709 57.006 56.400 -0.172 0.000 0.824 9 E CB -0.064 29.595 29.700 -0.068 0.000 0.756 9 E HN 0.407 nan 8.360 nan 0.000 0.477 10 R N -0.297 119.998 120.500 -0.343 0.000 2.280 10 R HA 0.038 4.403 4.340 0.042 0.000 0.207 10 R C 1.542 177.653 176.300 -0.315 0.000 1.043 10 R CA 0.508 56.305 56.100 -0.505 0.000 1.006 10 R CB -0.171 29.432 30.300 -1.162 0.000 0.885 10 R HN 0.303 nan 8.270 nan 0.000 0.467 11 L N 0.961 121.973 121.223 -0.350 0.000 2.616 11 L HA 0.100 4.465 4.340 0.042 0.000 0.229 11 L C 1.944 178.578 176.870 -0.393 0.000 1.110 11 L CA 0.070 54.651 54.840 -0.432 0.000 0.884 11 L CB -0.155 41.567 42.059 -0.562 0.000 1.115 11 L HN 0.130 nan 8.230 nan 0.000 0.481 12 K N 0.536 120.831 120.400 -0.175 0.000 2.218 12 K HA -0.229 4.116 4.320 0.042 0.000 0.205 12 K C 1.796 178.393 176.600 -0.006 0.000 1.046 12 K CA 1.736 58.030 56.287 0.011 0.000 0.933 12 K CB -0.609 31.992 32.500 0.169 0.000 0.728 12 K HN 0.515 nan 8.250 nan 0.000 0.454 13 H N 0.966 120.032 119.070 -0.006 0.000 2.559 13 H HA 0.075 4.656 4.556 0.042 0.000 0.273 13 H C 1.563 176.903 175.328 0.019 0.000 1.000 13 H CA 0.392 56.449 56.048 0.016 0.000 1.195 13 H CB -0.243 29.526 29.762 0.011 0.000 1.368 13 H HN 0.229 nan 8.280 nan 0.000 0.592 14 L N 0.889 121.797 121.223 -0.525 0.000 2.554 14 L HA 0.165 4.530 4.340 0.042 0.000 0.226 14 L C 0.721 177.539 176.870 -0.086 0.000 1.137 14 L CA 0.144 54.794 54.840 -0.317 0.000 0.863 14 L CB 0.054 41.868 42.059 -0.408 0.000 0.985 14 L HN 0.111 nan 8.230 nan 0.000 0.451 15 I N 0.913 121.466 120.570 -0.028 0.000 2.278 15 I HA 0.115 4.310 4.170 0.042 0.000 0.296 15 I C -0.406 175.749 176.117 0.063 0.000 1.121 15 I CA -0.002 61.330 61.300 0.054 0.000 1.267 15 I CB 0.533 38.596 38.000 0.105 0.000 1.447 15 I HN -0.189 nan 8.210 nan 0.000 0.509 16 V N 4.548 124.503 119.914 0.069 0.000 2.864 16 V HA 0.356 4.501 4.120 0.042 0.000 0.314 16 V C 0.302 176.443 176.094 0.079 0.000 1.073 16 V CA -0.611 61.735 62.300 0.076 0.000 0.956 16 V CB 2.416 34.289 31.823 0.083 0.000 1.023 16 V HN 0.558 nan 8.190 nan 0.000 0.435 17 T N 6.059 120.658 114.554 0.075 0.000 2.794 17 T HA 0.323 4.698 4.350 0.042 0.000 0.296 17 T C -2.407 172.339 174.700 0.078 0.000 0.949 17 T CA -0.544 61.600 62.100 0.073 0.000 1.101 17 T CB 0.979 69.886 68.868 0.065 0.000 0.905 17 T HN 0.523 nan 8.240 nan 0.000 0.516 18 P HA 0.367 nan 4.420 nan 0.000 0.285 18 P C -0.906 176.444 177.300 0.084 0.000 1.259 18 P CA -0.471 62.681 63.100 0.087 0.000 0.794 18 P CB 1.090 32.851 31.700 0.102 0.000 0.940 19 S N 0.983 116.727 115.700 0.073 0.000 2.705 19 S HA 0.873 5.368 4.470 0.042 0.000 0.280 19 S C 0.046 174.681 174.600 0.059 0.000 1.174 19 S CA -0.110 58.136 58.200 0.078 0.000 0.823 19 S CB 1.349 64.593 63.200 0.074 0.000 1.162 19 S HN 0.882 nan 8.310 nan 0.000 0.487 20 G N 0.165 109.011 108.800 0.076 0.000 2.627 20 G HA2 0.441 4.426 3.960 0.042 0.000 0.214 20 G HA3 0.441 4.426 3.960 0.042 0.000 0.214 20 G C 0.082 174.993 174.900 0.019 0.000 1.331 20 G CA -0.055 45.074 45.100 0.048 0.000 0.891 20 G HN 1.807 nan 8.290 nan 0.000 0.539 21 A N -1.335 121.398 122.820 -0.145 0.000 2.829 21 A HA 0.830 5.175 4.320 0.042 0.000 0.248 21 A C 2.284 179.204 177.584 -1.107 0.000 1.654 21 A CA 1.034 52.730 52.037 -0.568 0.000 0.860 21 A CB -0.428 18.226 19.000 -0.576 0.000 1.696 21 A HN 2.473 nan 8.150 nan 0.000 0.576 22 G N -1.183 106.526 108.800 -1.819 0.000 2.485 22 G HA2 -0.172 3.813 3.960 0.042 0.000 0.221 22 G HA3 -0.172 3.813 3.960 0.042 0.000 0.221 22 G C 1.141 175.776 174.900 -0.441 0.000 1.115 22 G CA 1.511 45.940 45.100 -1.118 0.000 0.751 22 G HN 0.766 nan 8.290 nan 0.000 0.567 23 E N -0.972 119.007 120.200 -0.369 0.000 2.110 23 E HA 0.016 4.391 4.350 0.042 0.000 0.193 23 E C 2.417 178.890 176.600 -0.211 0.000 0.950 23 E CA 0.406 56.704 56.400 -0.171 0.000 0.840 23 E CB -0.116 29.556 29.700 -0.047 0.000 0.809 23 E HN 0.303 nan 8.360 nan 0.000 0.465 24 Q N 1.576 121.199 119.800 -0.295 0.000 2.135 24 Q HA -0.226 4.139 4.340 0.042 0.000 0.204 24 Q C 1.747 177.672 176.000 -0.126 0.000 0.981 24 Q CA 1.886 57.522 55.803 -0.279 0.000 0.856 24 Q CB -0.220 28.401 28.738 -0.196 0.000 0.902 24 Q HN 0.094 nan 8.270 nan 0.000 0.425 25 N N -1.381 117.255 118.700 -0.108 0.000 2.120 25 N HA -0.144 4.621 4.740 0.042 0.000 0.188 25 N C 1.302 176.834 175.510 0.037 0.000 1.024 25 N CA 1.727 54.774 53.050 -0.006 0.000 0.852 25 N CB -0.026 38.478 38.487 0.028 0.000 1.003 25 N HN 0.235 nan 8.380 nan 0.000 0.424 26 M N 0.007 119.619 119.600 0.021 0.000 2.296 26 M HA 0.008 4.513 4.480 0.042 0.000 0.265 26 M C 1.877 178.269 176.300 0.153 0.000 1.064 26 M CA 0.773 56.136 55.300 0.104 0.000 1.109 26 M CB -0.769 31.911 32.600 0.134 0.000 1.396 26 M HN 0.273 nan 8.290 nan 0.000 0.430 27 I N -0.384 120.222 120.570 0.060 0.000 2.286 27 I HA -0.188 4.007 4.170 0.042 0.000 0.248 27 I C 2.434 178.604 176.117 0.088 0.000 1.115 27 I CA 1.353 62.681 61.300 0.048 0.000 1.392 27 I CB -0.762 37.190 38.000 -0.080 0.000 1.065 27 I HN 0.312 nan 8.210 nan 0.000 0.418 28 G N -0.038 108.805 108.800 0.073 0.000 2.430 28 G HA2 -0.177 3.808 3.960 0.042 0.000 0.216 28 G HA3 -0.177 3.808 3.960 0.042 0.000 0.216 28 G C 1.723 176.695 174.900 0.121 0.000 1.146 28 G CA 0.094 45.248 45.100 0.091 0.000 0.793 28 G HN 0.192 nan 8.290 nan 0.000 0.537 29 M N 0.550 120.232 119.600 0.138 0.000 2.132 29 M HA -0.050 4.455 4.480 0.042 0.000 0.263 29 M C 2.693 179.110 176.300 0.196 0.000 1.065 29 M CA 1.396 56.793 55.300 0.162 0.000 1.122 29 M CB -0.271 32.437 32.600 0.179 0.000 1.365 29 M HN 0.210 nan 8.290 nan 0.000 0.411 30 T N 1.602 116.300 114.554 0.239 0.000 2.565 30 T HA -0.158 4.217 4.350 0.042 0.000 0.265 30 T C -0.846 174.034 174.700 0.300 0.000 1.082 30 T CA 2.166 64.471 62.100 0.341 0.000 1.173 30 T CB -1.759 67.356 68.868 0.412 0.000 0.864 30 T HN 0.390 nan 8.240 nan 0.000 0.425 31 P HA -0.098 nan 4.420 nan 0.000 0.215 31 P C 1.449 178.793 177.300 0.073 0.000 1.153 31 P CA 1.560 64.740 63.100 0.133 0.000 0.853 31 P CB -0.368 31.391 31.700 0.099 0.000 0.788 32 T N 0.119 114.732 114.554 0.097 0.000 2.777 32 T HA -0.060 4.315 4.350 0.042 0.000 0.266 32 T C 2.067 176.836 174.700 0.115 0.000 1.040 32 T CA 1.126 63.281 62.100 0.092 0.000 1.141 32 T CB -0.997 67.933 68.868 0.103 0.000 0.868 32 T HN -0.115 nan 8.240 nan 0.000 0.444 33 V N 1.618 121.619 119.914 0.145 0.000 2.295 33 V HA -0.118 4.027 4.120 0.042 0.000 0.246 33 V C 2.447 178.621 176.094 0.133 0.000 1.049 33 V CA 1.208 63.601 62.300 0.155 0.000 1.024 33 V CB -0.489 31.454 31.823 0.200 0.000 0.648 33 V HN 0.385 nan 8.190 nan 0.000 0.447 34 I N 0.243 120.870 120.570 0.096 0.000 2.252 34 I HA -0.158 4.037 4.170 0.042 0.000 0.245 34 I C 2.548 178.681 176.117 0.026 0.000 1.102 34 I CA 1.902 63.206 61.300 0.007 0.000 1.385 34 I CB -1.190 36.772 38.000 -0.064 0.000 1.064 34 I HN 0.285 nan 8.210 nan 0.000 0.414 35 A N 0.237 123.018 122.820 -0.065 0.000 1.865 35 A HA -0.198 4.147 4.320 0.042 0.000 0.217 35 A C 2.449 180.020 177.584 -0.021 0.000 1.191 35 A CA 2.312 54.239 52.037 -0.182 0.000 0.623 35 A CB -1.159 17.721 19.000 -0.199 0.000 0.826 35 A HN 0.269 nan 8.150 nan 0.000 0.444 36 V N -0.308 119.687 119.914 0.135 0.000 2.332 36 V HA -0.324 3.821 4.120 0.042 0.000 0.248 36 V C 2.481 178.726 176.094 0.251 0.000 1.055 36 V CA 2.676 65.167 62.300 0.318 0.000 1.038 36 V CB -1.107 30.913 31.823 0.327 0.000 0.651 36 V HN 0.870 nan 8.190 nan 0.000 0.450 37 H N -0.916 118.218 119.070 0.107 0.000 2.289 37 H HA -0.284 4.297 4.556 0.042 0.000 0.296 37 H C 2.146 177.520 175.328 0.076 0.000 1.091 37 H CA 2.652 58.749 56.048 0.081 0.000 1.274 37 H CB -0.385 29.399 29.762 0.037 0.000 1.364 37 H HN 0.484 nan 8.280 nan 0.000 0.490 38 Y N 0.492 120.765 120.300 -0.045 0.000 2.163 38 Y HA -0.141 4.433 4.550 0.041 0.000 0.288 38 Y C 2.296 178.070 175.900 -0.211 0.000 1.136 38 Y CA 1.705 59.735 58.100 -0.118 0.000 1.147 38 Y CB -0.402 37.999 38.460 -0.099 0.000 0.987 38 Y HN 0.237 nan 8.280 nan 0.000 0.509 39 L N -0.286 120.754 121.223 -0.305 0.000 2.191 39 L HA -0.203 4.162 4.340 0.042 0.000 0.212 39 L C 1.872 178.494 176.870 -0.412 0.000 1.103 39 L CA 1.332 55.805 54.840 -0.611 0.000 0.769 39 L CB -0.528 40.864 42.059 -1.112 0.000 0.908 39 L HN 0.198 nan 8.230 nan 0.000 0.438 40 D N -0.327 120.046 120.400 -0.044 0.000 2.084 40 D HA -0.170 4.494 4.640 0.042 0.000 0.196 40 D C 2.212 178.458 176.300 -0.089 0.000 0.985 40 D CA 0.855 54.930 54.000 0.125 0.000 0.826 40 D CB 0.017 40.893 40.800 0.128 0.000 0.978 40 D HN 0.110 nan 8.370 nan 0.000 0.456 41 E N 0.079 120.135 120.200 -0.240 0.000 2.077 41 E HA -0.108 4.266 4.350 0.042 0.000 0.193 41 E C 1.763 178.200 176.600 -0.271 0.000 0.989 41 E CA 1.386 57.631 56.400 -0.259 0.000 0.800 41 E CB -0.197 29.311 29.700 -0.320 0.000 0.746 41 E HN 0.394 nan 8.360 nan 0.000 0.452 42 T N -1.809 112.489 114.554 -0.427 0.000 3.169 42 T HA 0.098 4.473 4.350 0.042 0.000 0.250 42 T C 0.220 174.762 174.700 -0.263 0.000 1.111 42 T CA 0.266 62.132 62.100 -0.392 0.000 1.010 42 T CB -0.234 68.257 68.868 -0.630 0.000 0.984 42 T HN 0.134 nan 8.240 nan 0.000 0.537 43 E N 0.984 121.064 120.200 -0.199 0.000 2.210 43 E HA -0.209 4.166 4.350 0.042 0.000 0.201 43 E C 0.216 176.756 176.600 -0.101 0.000 1.339 43 E CA 0.259 56.607 56.400 -0.087 0.000 0.699 43 E CB -1.167 28.505 29.700 -0.046 0.000 1.126 43 E HN 0.723 nan 8.360 nan 0.000 0.355 44 Q N -1.323 118.342 119.800 -0.224 0.000 2.188 44 Q HA 0.048 4.413 4.340 0.042 0.000 0.212 44 Q C 0.842 176.786 176.000 -0.093 0.000 0.846 44 Q CA -0.220 55.459 55.803 -0.207 0.000 0.989 44 Q CB 0.283 28.807 28.738 -0.356 0.000 1.114 44 Q HN 0.526 nan 8.270 nan 0.000 0.488 45 W N 1.539 122.877 121.300 0.063 0.000 2.409 45 W HA -0.078 4.606 4.660 0.041 0.000 0.299 45 W C 1.834 178.413 176.519 0.099 0.000 1.203 45 W CA 0.603 58.029 57.345 0.136 0.000 1.298 45 W CB 0.308 29.809 29.460 0.067 0.000 1.127 45 W HN 0.237 nan 8.180 nan 0.000 0.528 46 E N 0.770 121.137 120.200 0.279 0.000 2.013 46 E HA -0.209 4.166 4.350 0.042 0.000 0.202 46 E C 0.978 177.659 176.600 0.135 0.000 1.018 46 E CA 1.204 57.698 56.400 0.156 0.000 0.834 46 E CB -0.463 29.296 29.700 0.097 0.000 0.770 46 E HN 0.152 nan 8.360 nan 0.000 0.459 47 K N 0.026 120.497 120.400 0.118 0.000 3.233 47 K HA 0.026 4.371 4.320 0.042 0.000 0.283 47 K C -0.217 176.501 176.600 0.197 0.000 1.209 47 K CA 0.052 56.402 56.287 0.105 0.000 1.197 47 K CB 0.088 32.624 32.500 0.059 0.000 1.431 47 K HN 0.170 nan 8.250 nan 0.000 0.326 48 F N -1.098 118.867 119.950 0.024 0.000 2.796 48 F HA 0.131 4.683 4.527 0.041 0.000 0.427 48 F C -0.134 175.719 175.800 0.089 0.000 0.906 48 F CA 0.486 58.494 58.000 0.013 0.000 0.870 48 F CB 0.999 39.951 39.000 -0.079 0.000 1.345 48 F HN 0.086 nan 8.300 nan 0.000 0.553 49 G N 2.636 111.382 108.800 -0.089 0.000 2.445 49 G HA2 -0.059 3.926 3.960 0.042 0.000 0.233 49 G HA3 -0.059 3.926 3.960 0.042 0.000 0.233 49 G C 0.485 175.427 174.900 0.070 0.000 1.308 49 G CA -0.097 44.903 45.100 -0.167 0.000 1.179 49 G HN 0.459 nan 8.290 nan 0.000 0.637 50 L N -0.073 121.213 121.223 0.106 0.000 2.137 50 L HA -0.201 4.164 4.340 0.042 0.000 0.213 50 L C 2.757 179.537 176.870 -0.149 0.000 1.085 50 L CA 2.698 57.548 54.840 0.017 0.000 0.760 50 L CB 0.135 42.191 42.059 -0.005 0.000 0.893 50 L HN 0.685 nan 8.230 nan 0.000 0.434 51 E N -0.611 119.527 120.200 -0.104 0.000 2.208 51 E HA -0.180 4.195 4.350 0.042 0.000 0.193 51 E C 1.828 178.352 176.600 -0.126 0.000 0.988 51 E CA 0.773 57.100 56.400 -0.122 0.000 0.828 51 E CB -0.299 29.350 29.700 -0.085 0.000 0.763 51 E HN 0.375 nan 8.360 nan 0.000 0.478 52 K N 0.673 121.019 120.400 -0.089 0.000 2.209 52 K HA -0.063 4.282 4.320 0.042 0.000 0.204 52 K C 2.200 178.776 176.600 -0.039 0.000 1.048 52 K CA 1.046 57.325 56.287 -0.015 0.000 0.940 52 K CB -0.123 32.396 32.500 0.032 0.000 0.729 52 K HN 0.068 nan 8.250 nan 0.000 0.451 53 R N 1.257 121.532 120.500 -0.375 0.000 2.096 53 R HA -0.207 4.158 4.340 0.042 0.000 0.235 53 R C 2.292 178.370 176.300 -0.369 0.000 1.127 53 R CA 1.565 57.182 56.100 -0.805 0.000 0.968 53 R CB -0.005 29.250 30.300 -1.741 0.000 0.861 53 R HN 0.031 nan 8.270 nan 0.000 0.440 54 Q N -0.160 119.475 119.800 -0.274 0.000 2.119 54 Q HA -0.032 4.333 4.340 0.042 0.000 0.201 54 Q C 1.813 177.756 176.000 -0.095 0.000 0.972 54 Q CA 2.012 57.714 55.803 -0.169 0.000 0.847 54 Q CB -0.571 28.084 28.738 -0.138 0.000 0.903 54 Q HN 0.470 nan 8.270 nan 0.000 0.433 55 G N -0.144 108.616 108.800 -0.068 0.000 2.418 55 G HA2 -0.196 3.789 3.960 0.042 0.000 0.217 55 G HA3 -0.196 3.789 3.960 0.042 0.000 0.217 55 G C 1.472 176.377 174.900 0.007 0.000 1.158 55 G CA 0.944 46.032 45.100 -0.020 0.000 0.771 55 G HN 0.510 nan 8.290 nan 0.000 0.545 56 A N 0.483 123.319 122.820 0.026 0.000 1.902 56 A HA 0.046 4.391 4.320 0.042 0.000 0.217 56 A C 2.334 179.941 177.584 0.038 0.000 1.181 56 A CA 1.428 53.508 52.037 0.072 0.000 0.623 56 A CB -0.455 18.644 19.000 0.165 0.000 0.818 56 A HN 0.288 nan 8.150 nan 0.000 0.443 57 L N -0.295 120.921 121.223 -0.012 0.000 2.079 57 L HA -0.147 4.218 4.340 0.042 0.000 0.210 57 L C 2.326 179.188 176.870 -0.013 0.000 1.081 57 L CA 2.209 57.033 54.840 -0.025 0.000 0.752 57 L CB -1.099 40.917 42.059 -0.072 0.000 0.896 57 L HN 0.482 nan 8.230 nan 0.000 0.433 58 E N -0.674 119.520 120.200 -0.011 0.000 2.106 58 E HA -0.157 4.218 4.350 0.042 0.000 0.192 58 E C 2.270 178.885 176.600 0.026 0.000 0.984 58 E CA 0.987 57.388 56.400 0.001 0.000 0.806 58 E CB -0.144 29.555 29.700 -0.002 0.000 0.750 58 E HN 0.425 nan 8.360 nan 0.000 0.458 59 L N -0.051 121.195 121.223 0.038 0.000 2.156 59 L HA -0.110 4.255 4.340 0.042 0.000 0.208 59 L C 1.989 178.901 176.870 0.070 0.000 1.095 59 L CA 0.254 55.129 54.840 0.058 0.000 0.770 59 L CB -0.313 41.786 42.059 0.066 0.000 0.914 59 L HN 0.207 nan 8.230 nan 0.000 0.439 60 I N 0.308 120.915 120.570 0.062 0.000 2.179 60 I HA -0.274 3.921 4.170 0.042 0.000 0.242 60 I C 2.468 178.623 176.117 0.064 0.000 1.088 60 I CA 1.522 62.862 61.300 0.066 0.000 1.357 60 I CB -1.001 37.023 38.000 0.040 0.000 1.051 60 I HN 0.236 nan 8.210 nan 0.000 0.409 61 K N 0.738 121.158 120.400 0.033 0.000 2.074 61 K HA -0.256 4.089 4.320 0.042 0.000 0.209 61 K C 2.185 178.849 176.600 0.106 0.000 1.048 61 K CA 1.847 58.161 56.287 0.044 0.000 0.926 61 K CB -0.143 32.367 32.500 0.016 0.000 0.713 61 K HN 0.196 nan 8.250 nan 0.000 0.444 62 K N -0.160 120.291 120.400 0.085 0.000 2.057 62 K HA -0.114 4.231 4.320 0.042 0.000 0.206 62 K C 2.087 178.754 176.600 0.111 0.000 1.050 62 K CA 1.519 57.859 56.287 0.088 0.000 0.935 62 K CB -0.172 32.370 32.500 0.071 0.000 0.715 62 K HN 0.246 nan 8.250 nan 0.000 0.439 63 G N 0.165 109.041 108.800 0.127 0.000 2.404 63 G HA2 -0.309 3.676 3.960 0.042 0.000 0.215 63 G HA3 -0.309 3.676 3.960 0.042 0.000 0.215 63 G C 1.377 176.385 174.900 0.179 0.000 1.174 63 G CA 0.915 46.107 45.100 0.153 0.000 0.780 63 G HN 0.438 nan 8.290 nan 0.000 0.537 64 Y N 2.136 122.450 120.300 0.024 0.000 2.081 64 Y HA -0.232 4.341 4.550 0.038 0.000 0.280 64 Y C 3.084 179.001 175.900 0.028 0.000 1.163 64 Y CA 2.538 60.591 58.100 -0.078 0.000 1.135 64 Y CB -0.688 37.596 38.460 -0.293 0.000 0.970 64 Y HN 0.208 nan 8.280 nan 0.000 0.498 65 T N 0.582 115.143 114.554 0.012 0.000 2.684 65 T HA -0.270 4.105 4.350 0.042 0.000 0.267 65 T C 1.723 176.400 174.700 -0.039 0.000 1.036 65 T CA 2.007 64.078 62.100 -0.049 0.000 1.148 65 T CB -0.351 68.552 68.868 0.058 0.000 0.863 65 T HN 0.500 nan 8.240 nan 0.000 0.436 66 Q N 0.214 120.043 119.800 0.048 0.000 2.167 66 Q HA -0.107 4.258 4.340 0.042 0.000 0.202 66 Q C 2.467 178.584 176.000 0.196 0.000 0.970 66 Q CA 0.991 56.857 55.803 0.105 0.000 0.855 66 Q CB -0.154 28.679 28.738 0.159 0.000 0.911 66 Q HN 0.354 nan 8.270 nan 0.000 0.438 67 Q N 0.870 120.793 119.800 0.205 0.000 2.167 67 Q HA -0.067 4.298 4.340 0.042 0.000 0.202 67 Q C 1.709 177.921 176.000 0.354 0.000 0.970 67 Q CA 1.102 57.110 55.803 0.341 0.000 0.855 67 Q CB -0.069 28.842 28.738 0.288 0.000 0.911 67 Q HN 0.387 nan 8.270 nan 0.000 0.438 68 L N -0.447 120.836 121.223 0.099 0.000 2.191 68 L HA -0.103 4.262 4.340 0.042 0.000 0.212 68 L C 2.053 178.897 176.870 -0.043 0.000 1.103 68 L CA 0.865 55.727 54.840 0.037 0.000 0.769 68 L CB -0.647 41.331 42.059 -0.135 0.000 0.908 68 L HN 0.247 nan 8.230 nan 0.000 0.438 69 A N -0.770 121.962 122.820 -0.146 0.000 2.172 69 A HA -0.090 4.255 4.320 0.042 0.000 0.216 69 A C 1.476 178.700 177.584 -0.600 0.000 1.154 69 A CA 0.984 52.786 52.037 -0.391 0.000 0.701 69 A CB -0.437 18.247 19.000 -0.527 0.000 0.789 69 A HN 0.387 nan 8.150 nan 0.000 0.465 70 F N -0.690 119.285 119.950 0.042 0.000 2.653 70 F HA 0.290 4.841 4.527 0.039 0.000 0.304 70 F C 0.961 176.650 175.800 -0.186 0.000 1.092 70 F CA -0.410 57.600 58.000 0.017 0.000 1.279 70 F CB 0.184 39.253 39.000 0.114 0.000 1.044 70 F HN 0.028 nan 8.300 nan 0.000 0.564 71 R N 2.133 122.490 120.500 -0.239 0.000 2.316 71 R HA 0.176 4.541 4.340 0.042 0.000 0.314 71 R C -0.049 175.975 176.300 -0.461 0.000 1.069 71 R CA -0.025 55.628 56.100 -0.745 0.000 0.959 71 R CB 0.435 30.456 30.300 -0.464 0.000 0.987 71 R HN 0.303 nan 8.270 nan 0.000 0.446 72 Q N 4.626 124.117 119.800 -0.515 0.000 2.256 72 Q HA 0.158 4.523 4.340 0.042 0.000 0.232 72 Q C -1.696 174.142 176.000 -0.270 0.000 0.965 72 Q CA -1.933 53.684 55.803 -0.311 0.000 0.908 72 Q CB 0.892 29.460 28.738 -0.284 0.000 1.209 72 Q HN 0.479 nan 8.270 nan 0.000 0.489 73 P HA -0.228 nan 4.420 nan 0.000 0.217 73 P C 1.037 178.265 177.300 -0.120 0.000 1.148 73 P CA 1.644 64.674 63.100 -0.117 0.000 0.834 73 P CB 0.132 31.790 31.700 -0.070 0.000 0.783 74 S N -3.184 112.412 115.700 -0.173 0.000 2.561 74 S HA 0.047 4.542 4.470 0.042 0.000 0.225 74 S C 1.203 175.652 174.600 -0.253 0.000 0.977 74 S CA 0.735 58.837 58.200 -0.165 0.000 0.926 74 S CB -0.724 62.344 63.200 -0.221 0.000 0.769 74 S HN 0.030 nan 8.310 nan 0.000 0.533 75 S N -0.677 114.827 115.700 -0.327 0.000 2.659 75 S HA -0.118 4.377 4.470 0.042 0.000 0.264 75 S C 0.487 174.784 174.600 -0.506 0.000 1.310 75 S CA 0.523 58.542 58.200 -0.302 0.000 1.262 75 S CB -2.053 61.110 63.200 -0.062 0.000 1.548 75 S HN 1.263 nan 8.310 nan 0.000 0.657 76 A N 0.098 122.407 122.820 -0.852 0.000 2.257 76 A HA 0.785 5.130 4.320 0.042 0.000 0.289 76 A C -0.277 176.836 177.584 -0.786 0.000 1.095 76 A CA 0.072 51.511 52.037 -0.997 0.000 0.836 76 A CB 0.301 18.064 19.000 -2.063 0.000 1.111 76 A HN 0.307 nan 8.150 nan 0.000 0.497 77 F N -1.311 118.431 119.950 -0.347 0.000 2.577 77 F HA 0.737 5.288 4.527 0.040 0.000 0.318 77 F C 0.486 176.225 175.800 -0.102 0.000 1.065 77 F CA 0.208 58.113 58.000 -0.159 0.000 0.929 77 F CB 2.390 41.320 39.000 -0.117 0.000 1.237 77 F HN 0.837 nan 8.300 nan 0.000 0.468 78 A N 0.347 123.242 122.820 0.124 0.000 2.599 78 A HA 0.711 5.056 4.320 0.042 0.000 0.290 78 A C 0.245 177.792 177.584 -0.063 0.000 1.101 78 A CA -0.182 51.889 52.037 0.056 0.000 0.674 78 A CB 0.585 19.623 19.000 0.064 0.000 1.277 78 A HN 1.048 nan 8.150 nan 0.000 0.419 79 A N -0.245 122.445 122.820 -0.216 0.000 1.948 79 A HA 0.272 4.617 4.320 0.042 0.000 0.220 79 A C 0.372 177.369 177.584 -0.979 0.000 1.177 79 A CA 1.839 53.460 52.037 -0.694 0.000 0.636 79 A CB -0.596 17.920 19.000 -0.807 0.000 0.815 79 A HN 0.943 nan 8.150 nan 0.000 0.449 80 F N -2.964 117.043 119.950 0.097 0.000 2.576 80 F HA 0.421 4.973 4.527 0.041 0.000 0.313 80 F C 1.103 177.029 175.800 0.210 0.000 1.078 80 F CA -0.537 57.605 58.000 0.237 0.000 0.921 80 F CB 1.626 40.715 39.000 0.148 0.000 1.232 80 F HN -0.085 nan 8.300 nan 0.000 0.459 81 V N -0.904 119.235 119.914 0.376 0.000 2.688 81 V HA -0.134 4.011 4.120 0.042 0.000 0.256 81 V C 1.217 177.379 176.094 0.112 0.000 1.084 81 V CA 1.507 63.907 62.300 0.166 0.000 1.103 81 V CB -0.643 31.219 31.823 0.065 0.000 0.688 81 V HN 0.714 nan 8.190 nan 0.000 0.480 82 K N 0.591 121.082 120.400 0.152 0.000 2.372 82 K HA 0.291 4.636 4.320 0.042 0.000 0.200 82 K C 0.771 177.439 176.600 0.112 0.000 1.022 82 K CA -0.139 56.206 56.287 0.097 0.000 1.125 82 K CB 0.366 32.906 32.500 0.067 0.000 0.855 82 K HN 0.575 nan 8.250 nan 0.000 0.524 83 R N 0.981 121.582 120.500 0.169 0.000 2.404 83 R HA 0.364 4.729 4.340 0.042 0.000 0.291 83 R C -0.546 175.823 176.300 0.115 0.000 1.025 83 R CA -0.213 55.987 56.100 0.167 0.000 0.991 83 R CB 0.923 31.383 30.300 0.267 0.000 1.053 83 R HN -0.013 nan 8.270 nan 0.000 0.479 84 A N 6.133 129.016 122.820 0.105 0.000 2.565 84 A HA 0.164 4.509 4.320 0.042 0.000 0.237 84 A C -1.981 175.668 177.584 0.108 0.000 1.053 84 A CA -0.919 51.180 52.037 0.103 0.000 0.755 84 A CB -0.306 18.759 19.000 0.109 0.000 0.980 84 A HN 0.608 nan 8.150 nan 0.000 0.506 85 P HA 0.070 nan 4.420 nan 0.000 0.268 85 P C -0.205 177.215 177.300 0.201 0.000 1.205 85 P CA 0.108 63.241 63.100 0.055 0.000 0.771 85 P CB 0.958 32.559 31.700 -0.165 0.000 0.858 86 S N 1.825 117.639 115.700 0.190 0.000 2.457 86 S HA 0.216 4.711 4.470 0.042 0.000 0.289 86 S C 1.331 176.152 174.600 0.368 0.000 1.163 86 S CA -0.347 58.012 58.200 0.264 0.000 1.078 86 S CB 0.072 63.411 63.200 0.232 0.000 0.987 86 S HN 0.395 nan 8.310 nan 0.000 0.482 87 T N 4.442 119.238 114.554 0.403 0.000 2.708 87 T HA -0.110 4.265 4.350 0.042 0.000 0.266 87 T C 1.182 176.075 174.700 0.321 0.000 1.037 87 T CA 1.624 63.963 62.100 0.399 0.000 1.146 87 T CB -0.461 68.569 68.868 0.270 0.000 0.865 87 T HN 0.879 nan 8.240 nan 0.000 0.435 88 W N 1.427 122.812 121.300 0.142 0.000 2.355 88 W HA -0.065 4.622 4.660 0.045 0.000 0.309 88 W C 1.978 178.595 176.519 0.164 0.000 1.206 88 W CA 0.622 58.027 57.345 0.100 0.000 1.284 88 W CB -0.606 28.797 29.460 -0.096 0.000 1.145 88 W HN 0.130 nan 8.180 nan 0.000 0.502 89 L N 0.605 122.057 121.223 0.380 0.000 2.046 89 L HA -0.184 4.181 4.340 0.042 0.000 0.208 89 L C 2.300 179.150 176.870 -0.034 0.000 1.077 89 L CA 2.737 57.685 54.840 0.181 0.000 0.747 89 L CB -1.283 40.929 42.059 0.255 0.000 0.896 89 L HN -0.055 nan 8.230 nan 0.000 0.432 90 T N -0.351 114.251 114.554 0.081 0.000 2.777 90 T HA -0.118 4.257 4.350 0.042 0.000 0.266 90 T C 1.889 176.540 174.700 -0.081 0.000 1.040 90 T CA 1.246 63.390 62.100 0.073 0.000 1.141 90 T CB -0.473 68.551 68.868 0.261 0.000 0.868 90 T HN 0.514 nan 8.240 nan 0.000 0.444 91 A N 0.379 123.155 122.820 -0.074 0.000 1.930 91 A HA -0.064 4.281 4.320 0.042 0.000 0.217 91 A C 2.093 179.464 177.584 -0.354 0.000 1.175 91 A CA 1.245 53.163 52.037 -0.199 0.000 0.627 91 A CB -0.911 18.006 19.000 -0.138 0.000 0.815 91 A HN 0.547 nan 8.150 nan 0.000 0.443 92 Y N 0.425 120.389 120.300 -0.560 0.000 2.242 92 Y HA -0.124 4.451 4.550 0.042 0.000 0.291 92 Y C 2.350 177.898 175.900 -0.587 0.000 1.137 92 Y CA 1.464 59.166 58.100 -0.664 0.000 1.181 92 Y CB -0.303 37.504 38.460 -1.089 0.000 0.989 92 Y HN 0.070 nan 8.280 nan 0.000 0.527 93 V N -1.157 118.343 119.914 -0.691 0.000 2.343 93 V HA -0.295 3.850 4.120 0.042 0.000 0.247 93 V C 2.355 177.895 176.094 -0.924 0.000 1.051 93 V CA 1.696 63.384 62.300 -1.019 0.000 1.036 93 V CB -0.803 30.237 31.823 -1.305 0.000 0.654 93 V HN 0.290 nan 8.190 nan 0.000 0.451 94 V N -0.131 119.436 119.914 -0.578 0.000 2.295 94 V HA -0.318 3.827 4.120 0.042 0.000 0.246 94 V C 2.434 178.341 176.094 -0.312 0.000 1.049 94 V CA 2.439 64.535 62.300 -0.340 0.000 1.024 94 V CB -0.668 31.020 31.823 -0.225 0.000 0.648 94 V HN 0.555 nan 8.190 nan 0.000 0.447 95 K N -0.094 120.043 120.400 -0.439 0.000 2.020 95 K HA -0.204 4.140 4.320 0.042 0.000 0.212 95 K C 2.069 178.478 176.600 -0.319 0.000 1.050 95 K CA 2.177 58.222 56.287 -0.404 0.000 0.929 95 K CB -0.291 31.855 32.500 -0.590 0.000 0.714 95 K HN 0.336 nan 8.250 nan 0.000 0.443 96 V N 0.967 120.546 119.914 -0.559 0.000 2.295 96 V HA -0.226 3.919 4.120 0.042 0.000 0.246 96 V C 2.299 178.470 176.094 0.128 0.000 1.049 96 V CA 1.643 63.792 62.300 -0.251 0.000 1.024 96 V CB -0.624 30.936 31.823 -0.438 0.000 0.648 96 V HN 0.241 nan 8.190 nan 0.000 0.447 97 F N 0.914 120.774 119.950 -0.150 0.000 2.216 97 F HA -0.116 4.434 4.527 0.038 0.000 0.300 97 F C 2.702 178.477 175.800 -0.042 0.000 1.085 97 F CA 1.234 59.201 58.000 -0.055 0.000 1.326 97 F CB -1.395 37.594 39.000 -0.017 0.000 1.027 97 F HN 0.103 nan 8.300 nan 0.000 0.497 98 S N 0.036 115.813 115.700 0.130 0.000 2.382 98 S HA -0.146 4.349 4.470 0.042 0.000 0.228 98 S C 2.047 176.688 174.600 0.068 0.000 1.027 98 S CA 0.713 58.956 58.200 0.070 0.000 0.991 98 S CB -0.461 62.751 63.200 0.021 0.000 0.823 98 S HN 0.207 nan 8.310 nan 0.000 0.469 99 L N 0.992 122.266 121.223 0.085 0.000 2.313 99 L HA 0.227 4.592 4.340 0.042 0.000 0.214 99 L C 2.026 178.937 176.870 0.067 0.000 1.119 99 L CA 0.883 55.752 54.840 0.048 0.000 0.809 99 L CB -0.563 41.501 42.059 0.009 0.000 0.933 99 L HN 0.270 nan 8.230 nan 0.000 0.449 100 A N -1.390 121.478 122.820 0.080 0.000 2.251 100 A HA 0.086 4.431 4.320 0.042 0.000 0.209 100 A C 1.978 179.549 177.584 -0.021 0.000 1.187 100 A CA 0.724 52.785 52.037 0.040 0.000 0.823 100 A CB -0.736 18.276 19.000 0.020 0.000 0.846 100 A HN 0.290 nan 8.150 nan 0.000 0.486 101 V N -2.283 117.630 119.914 -0.003 0.000 2.913 101 V HA -0.172 3.973 4.120 0.042 0.000 0.260 101 V C 1.243 177.323 176.094 -0.023 0.000 1.098 101 V CA 2.267 64.548 62.300 -0.032 0.000 1.121 101 V CB -1.155 30.666 31.823 -0.003 0.000 0.714 101 V HN 0.477 nan 8.190 nan 0.000 0.487 102 N N 0.063 118.770 118.700 0.012 0.000 2.353 102 N HA 0.304 5.069 4.740 0.042 0.000 0.185 102 N C 1.351 176.861 175.510 0.000 0.000 1.098 102 N CA 0.669 53.730 53.050 0.018 0.000 0.872 102 N CB 0.177 38.702 38.487 0.063 0.000 0.970 102 N HN 0.492 nan 8.380 nan 0.000 0.467 103 L N -0.286 120.929 121.223 -0.015 0.000 2.445 103 L HA 0.364 4.729 4.340 0.042 0.000 0.207 103 L C 0.453 177.276 176.870 -0.078 0.000 1.053 103 L CA 0.203 55.026 54.840 -0.029 0.000 0.841 103 L CB -0.010 42.053 42.059 0.006 0.000 1.074 103 L HN 0.115 nan 8.230 nan 0.000 0.479 104 I N -2.419 118.074 120.570 -0.129 0.000 3.264 104 I HA 0.647 4.842 4.170 0.042 0.000 0.315 104 I C -0.413 175.556 176.117 -0.246 0.000 1.154 104 I CA -1.210 59.981 61.300 -0.182 0.000 0.962 104 I CB 1.338 39.206 38.000 -0.222 0.000 1.265 104 I HN -0.120 nan 8.210 nan 0.000 0.463 105 A N 2.998 125.663 122.820 -0.258 0.000 2.488 105 A HA 0.599 4.944 4.320 0.042 0.000 0.249 105 A C -0.246 177.038 177.584 -0.499 0.000 1.083 105 A CA 0.070 51.949 52.037 -0.264 0.000 0.768 105 A CB -0.311 18.584 19.000 -0.175 0.000 1.017 105 A HN 0.601 nan 8.150 nan 0.000 0.496 106 I N 2.085 122.422 120.570 -0.387 0.000 2.499 106 I HA 0.168 4.363 4.170 0.042 0.000 0.288 106 I C -0.727 175.321 176.117 -0.114 0.000 1.048 106 I CA -0.693 60.330 61.300 -0.461 0.000 1.062 106 I CB 2.054 39.827 38.000 -0.379 0.000 1.238 106 I HN 0.628 nan 8.210 nan 0.000 0.426 107 D N 4.299 124.740 120.400 0.069 0.000 2.338 107 D HA 0.101 4.766 4.640 0.042 0.000 0.255 107 D C 0.990 177.370 176.300 0.133 0.000 1.237 107 D CA 0.407 54.483 54.000 0.127 0.000 0.883 107 D CB 1.309 42.226 40.800 0.196 0.000 1.087 107 D HN 0.457 nan 8.370 nan 0.000 0.485 108 S N 3.266 119.015 115.700 0.082 0.000 2.387 108 S HA -0.237 4.258 4.470 0.042 0.000 0.230 108 S C 1.729 176.388 174.600 0.098 0.000 1.035 108 S CA 1.221 59.469 58.200 0.081 0.000 1.014 108 S CB 0.014 63.245 63.200 0.052 0.000 0.836 108 S HN 0.631 nan 8.310 nan 0.000 0.466 109 Q N 0.034 119.891 119.800 0.094 0.000 2.230 109 Q HA -0.007 4.358 4.340 0.042 0.000 0.202 109 Q C 2.172 178.244 176.000 0.119 0.000 0.963 109 Q CA 0.855 56.712 55.803 0.091 0.000 0.866 109 Q CB -0.156 28.624 28.738 0.069 0.000 0.931 109 Q HN 0.375 nan 8.270 nan 0.000 0.452 110 V N 0.541 120.554 119.914 0.164 0.000 2.283 110 V HA -0.227 3.918 4.120 0.042 0.000 0.243 110 V C 2.050 178.294 176.094 0.250 0.000 1.039 110 V CA 1.255 63.689 62.300 0.223 0.000 1.016 110 V CB -0.412 31.602 31.823 0.318 0.000 0.650 110 V HN 0.291 nan 8.190 nan 0.000 0.449 111 L N 0.156 121.530 121.223 0.252 0.000 1.989 111 L HA -0.186 4.178 4.340 0.042 0.000 0.211 111 L C 2.346 179.298 176.870 0.136 0.000 1.071 111 L CA 2.357 57.321 54.840 0.206 0.000 0.749 111 L CB -0.784 41.389 42.059 0.192 0.000 0.890 111 L HN 0.415 nan 8.230 nan 0.000 0.431 112 c N -0.448 118.221 118.600 0.116 0.000 2.448 112 c HA 0.112 4.707 4.570 0.042 0.000 0.280 112 c C 2.681 176.836 174.090 0.109 0.000 1.398 112 c CA 0.153 56.538 56.329 0.094 0.000 1.774 112 c CB -1.907 40.648 42.510 0.074 0.000 1.888 112 c HN 0.733 nan 8.230 nan 0.000 0.519 113 G N 0.792 109.665 108.800 0.121 0.000 2.408 113 G HA2 0.034 4.019 3.960 0.042 0.000 0.217 113 G HA3 0.034 4.019 3.960 0.042 0.000 0.217 113 G C 1.837 176.837 174.900 0.168 0.000 1.150 113 G CA 0.935 46.108 45.100 0.122 0.000 0.776 113 G HN 0.581 nan 8.290 nan 0.000 0.542 114 A N 0.045 122.974 122.820 0.180 0.000 1.929 114 A HA 0.196 4.541 4.320 0.042 0.000 0.216 114 A C 2.564 180.297 177.584 0.249 0.000 1.176 114 A CA 1.483 53.660 52.037 0.233 0.000 0.628 114 A CB -0.480 18.659 19.000 0.231 0.000 0.816 114 A HN 0.209 nan 8.150 nan 0.000 0.444 115 V N 0.111 120.116 119.914 0.151 0.000 2.261 115 V HA -0.271 3.874 4.120 0.042 0.000 0.246 115 V C 2.540 178.714 176.094 0.134 0.000 1.047 115 V CA 2.472 64.834 62.300 0.102 0.000 1.015 115 V CB -0.597 31.260 31.823 0.057 0.000 0.642 115 V HN 0.662 nan 8.190 nan 0.000 0.446 116 K N -1.130 119.356 120.400 0.144 0.000 2.044 116 K HA -0.289 4.056 4.320 0.042 0.000 0.210 116 K C 1.935 178.637 176.600 0.169 0.000 1.049 116 K CA 2.352 58.719 56.287 0.133 0.000 0.927 116 K CB -0.406 32.167 32.500 0.122 0.000 0.713 116 K HN 0.584 nan 8.250 nan 0.000 0.443 117 W N 1.064 122.393 121.300 0.049 0.000 2.358 117 W HA -0.171 4.498 4.660 0.015 0.000 0.303 117 W C 1.335 177.901 176.519 0.078 0.000 1.208 117 W CA 1.405 58.781 57.345 0.053 0.000 1.274 117 W CB -0.252 29.234 29.460 0.044 0.000 1.138 117 W HN 0.040 nan 8.180 nan 0.000 0.515 118 L N 0.003 121.286 121.223 0.100 0.000 2.012 118 L HA -0.271 4.094 4.340 0.042 0.000 0.210 118 L C 2.344 179.223 176.870 0.015 0.000 1.073 118 L CA 1.300 56.081 54.840 -0.099 0.000 0.748 118 L CB -0.971 41.097 42.059 0.016 0.000 0.891 118 L HN -0.006 nan 8.230 nan 0.000 0.431 119 I N -0.645 119.982 120.570 0.096 0.000 2.113 119 I HA -0.284 3.911 4.170 0.042 0.000 0.238 119 I C 2.261 178.356 176.117 -0.037 0.000 1.070 119 I CA 1.490 62.855 61.300 0.107 0.000 1.332 119 I CB -0.738 37.313 38.000 0.084 0.000 1.044 119 I HN 0.055 nan 8.210 nan 0.000 0.402 120 L N -0.173 121.009 121.223 -0.068 0.000 2.131 120 L HA -0.162 4.203 4.340 0.042 0.000 0.210 120 L C 2.247 179.010 176.870 -0.179 0.000 1.092 120 L CA 1.742 56.525 54.840 -0.095 0.000 0.759 120 L CB -0.730 41.305 42.059 -0.041 0.000 0.903 120 L HN 0.313 nan 8.230 nan 0.000 0.435 121 E N -1.360 118.627 120.200 -0.355 0.000 2.372 121 E HA 0.087 4.462 4.350 0.042 0.000 0.201 121 E C 1.390 177.765 176.600 -0.375 0.000 0.938 121 E CA 0.229 56.381 56.400 -0.414 0.000 0.944 121 E CB 0.306 29.602 29.700 -0.674 0.000 0.937 121 E HN 0.288 nan 8.360 nan 0.000 0.495 122 K N 0.794 120.964 120.400 -0.383 0.000 2.374 122 K HA 0.171 4.516 4.320 0.042 0.000 0.202 122 K C 0.437 176.977 176.600 -0.101 0.000 1.040 122 K CA -0.027 56.142 56.287 -0.196 0.000 1.085 122 K CB 1.180 33.568 32.500 -0.187 0.000 0.873 122 K HN 0.078 nan 8.250 nan 0.000 0.539 123 Q N 1.680 121.338 119.800 -0.236 0.000 2.290 123 Q HA 0.167 4.532 4.340 0.042 0.000 0.259 123 Q C -0.553 175.218 176.000 -0.381 0.000 0.941 123 Q CA -0.432 55.029 55.803 -0.571 0.000 0.912 123 Q CB 1.049 29.305 28.738 -0.803 0.000 1.244 123 Q HN -0.135 nan 8.270 nan 0.000 0.441 124 K N 3.833 124.002 120.400 -0.385 0.000 2.138 124 K HA 0.132 4.477 4.320 0.042 0.000 0.251 124 K C -1.889 174.566 176.600 -0.242 0.000 1.015 124 K CA -1.567 54.561 56.287 -0.266 0.000 0.917 124 K CB 0.490 32.836 32.500 -0.257 0.000 1.021 124 K HN 0.486 nan 8.250 nan 0.000 0.485 125 P HA -0.151 nan 4.420 nan 0.000 0.222 125 P C 0.354 177.584 177.300 -0.117 0.000 1.147 125 P CA 1.230 64.255 63.100 -0.125 0.000 0.790 125 P CB 0.121 31.770 31.700 -0.086 0.000 0.780 126 D N -2.008 118.312 120.400 -0.133 0.000 2.328 126 D HA 0.079 4.744 4.640 0.042 0.000 0.226 126 D C 1.421 177.649 176.300 -0.120 0.000 1.066 126 D CA 0.559 54.510 54.000 -0.081 0.000 0.861 126 D CB -0.682 40.097 40.800 -0.036 0.000 0.912 126 D HN 0.217 nan 8.370 nan 0.000 0.521 127 G N -0.369 108.287 108.800 -0.240 0.000 2.234 127 G HA2 -0.272 3.713 3.960 0.042 0.000 0.235 127 G HA3 -0.272 3.713 3.960 0.042 0.000 0.235 127 G C 0.256 174.852 174.900 -0.507 0.000 0.997 127 G CA 0.095 45.020 45.100 -0.290 0.000 0.623 127 G HN 0.370 nan 8.290 nan 0.000 0.514 128 V N 1.445 120.961 119.914 -0.662 0.000 2.740 128 V HA 0.505 4.650 4.120 0.042 0.000 0.303 128 V C 0.430 176.200 176.094 -0.541 0.000 1.054 128 V CA 0.261 62.143 62.300 -0.697 0.000 1.106 128 V CB 0.837 32.176 31.823 -0.807 0.000 0.957 128 V HN 0.206 nan 8.190 nan 0.000 0.486 129 F N 2.873 122.723 119.950 -0.167 0.000 2.436 129 F HA 0.520 5.066 4.527 0.032 0.000 0.340 129 F C 0.481 176.245 175.800 -0.061 0.000 1.113 129 F CA -0.321 57.625 58.000 -0.089 0.000 1.022 129 F CB 1.490 40.476 39.000 -0.022 0.000 1.128 129 F HN 0.443 nan 8.300 nan 0.000 0.466 130 Q N 1.305 121.178 119.800 0.122 0.000 2.348 130 Q HA 0.424 4.789 4.340 0.042 0.000 0.271 130 Q C -1.166 174.900 176.000 0.111 0.000 1.067 130 Q CA -1.213 54.634 55.803 0.074 0.000 0.839 130 Q CB 2.646 31.386 28.738 0.004 0.000 1.354 130 Q HN 0.434 nan 8.270 nan 0.000 0.447 131 E N 1.256 121.518 120.200 0.104 0.000 2.092 131 E HA 0.118 4.493 4.350 0.042 0.000 0.271 131 E C -0.747 175.909 176.600 0.094 0.000 0.919 131 E CA -0.094 56.381 56.400 0.125 0.000 0.760 131 E CB 0.693 30.465 29.700 0.121 0.000 1.106 131 E HN 0.451 nan 8.360 nan 0.000 0.408 132 D N 3.224 123.691 120.400 0.111 0.000 2.367 132 D HA 0.163 4.827 4.640 0.042 0.000 0.207 132 D C -0.322 176.036 176.300 0.096 0.000 1.034 132 D CA 0.289 54.343 54.000 0.090 0.000 0.861 132 D CB 0.741 41.597 40.800 0.092 0.000 0.943 132 D HN 0.358 nan 8.370 nan 0.000 0.515 133 A N 1.843 124.734 122.820 0.119 0.000 2.984 133 A HA 0.467 4.812 4.320 0.042 0.000 0.320 133 A C -2.733 174.910 177.584 0.098 0.000 1.142 133 A CA -1.116 50.985 52.037 0.106 0.000 0.772 133 A CB 0.804 19.880 19.000 0.127 0.000 1.195 133 A HN -0.214 nan 8.150 nan 0.000 0.459 134 P HA 0.147 nan 4.420 nan 0.000 0.265 134 P C 0.613 177.922 177.300 0.015 0.000 1.187 134 P CA 0.185 63.296 63.100 0.019 0.000 0.766 134 P CB 0.594 32.281 31.700 -0.021 0.000 0.820 135 V N 1.313 121.219 119.914 -0.014 0.000 2.843 135 V HA 0.029 4.174 4.120 0.042 0.000 0.305 135 V C 1.427 177.492 176.094 -0.048 0.000 1.065 135 V CA 0.053 62.347 62.300 -0.009 0.000 1.116 135 V CB -0.203 31.608 31.823 -0.020 0.000 0.968 135 V HN 0.355 nan 8.190 nan 0.000 0.487 136 I N 1.529 122.081 120.570 -0.030 0.000 2.226 136 I HA -0.119 4.076 4.170 0.042 0.000 0.245 136 I C 1.773 177.776 176.117 -0.191 0.000 1.100 136 I CA 1.391 62.632 61.300 -0.099 0.000 1.374 136 I CB -0.762 37.170 38.000 -0.114 0.000 1.057 136 I HN 0.699 nan 8.210 nan 0.000 0.413 137 H N 2.939 121.954 119.070 -0.092 0.000 2.998 137 H HA 0.106 4.686 4.556 0.041 0.000 0.241 137 H C 0.939 176.134 175.328 -0.222 0.000 1.852 137 H CA -0.043 55.931 56.048 -0.124 0.000 1.419 137 H CB 0.218 29.908 29.762 -0.120 0.000 1.793 137 H HN 0.391 nan 8.280 nan 0.000 0.553 138 Q N 1.082 120.795 119.800 -0.144 0.000 2.368 138 Q HA -0.148 4.217 4.340 0.042 0.000 0.210 138 Q C 1.853 177.709 176.000 -0.239 0.000 0.982 138 Q CA 0.865 56.536 55.803 -0.219 0.000 0.884 138 Q CB 0.204 28.848 28.738 -0.157 0.000 0.933 138 Q HN 0.735 nan 8.270 nan 0.000 0.460 139 E N 0.208 120.290 120.200 -0.197 0.000 2.427 139 E HA -0.141 4.234 4.350 0.042 0.000 0.196 139 E C 1.659 178.085 176.600 -0.290 0.000 1.028 139 E CA 0.522 56.762 56.400 -0.265 0.000 0.864 139 E CB -0.327 29.054 29.700 -0.532 0.000 0.813 139 E HN 0.535 nan 8.360 nan 0.000 0.514 140 M N 0.312 119.727 119.600 -0.309 0.000 2.556 140 M HA 0.127 4.632 4.480 0.042 0.000 0.245 140 M C 1.361 177.367 176.300 -0.490 0.000 1.128 140 M CA 0.445 55.555 55.300 -0.317 0.000 1.069 140 M CB -0.007 32.443 32.600 -0.250 0.000 1.469 140 M HN 0.024 nan 8.290 nan 0.000 0.494 141 I N -0.938 119.197 120.570 -0.726 0.000 3.861 141 I HA 0.461 4.656 4.170 0.042 0.000 0.329 141 I C 0.915 176.749 176.117 -0.472 0.000 1.321 141 I CA 0.262 60.965 61.300 -0.995 0.000 1.126 141 I CB -1.875 35.083 38.000 -1.736 0.000 1.018 141 I HN 0.471 nan 8.210 nan 0.000 0.407 142 G N 2.125 110.754 108.800 -0.285 0.000 2.614 142 G HA2 -0.368 3.617 3.960 0.042 0.000 0.303 142 G HA3 -0.368 3.617 3.960 0.042 0.000 0.303 142 G C 0.983 175.453 174.900 -0.717 0.000 1.270 142 G CA 0.623 45.606 45.100 -0.195 0.000 0.988 142 G HN 0.788 nan 8.290 nan 0.000 0.551 143 G N -0.840 107.396 108.800 -0.941 0.000 2.527 143 G HA2 0.113 4.098 3.960 0.042 0.000 0.219 143 G HA3 0.113 4.098 3.960 0.042 0.000 0.219 143 G C 1.677 175.763 174.900 -1.356 0.000 1.117 143 G CA 1.402 45.399 45.100 -1.839 0.000 0.759 143 G HN 0.720 nan 8.290 nan 0.000 0.556 144 L N -0.130 120.671 121.223 -0.703 0.000 2.551 144 L HA 0.209 4.574 4.340 0.042 0.000 0.228 144 L C 2.605 179.218 176.870 -0.429 0.000 1.153 144 L CA 0.622 55.213 54.840 -0.415 0.000 0.851 144 L CB -0.202 41.684 42.059 -0.288 0.000 0.959 144 L HN 0.190 nan 8.230 nan 0.000 0.451 145 R N -0.222 119.966 120.500 -0.520 0.000 2.148 145 R HA -0.095 4.270 4.340 0.042 0.000 0.227 145 R C 1.058 177.210 176.300 -0.246 0.000 1.103 145 R CA 0.207 56.098 56.100 -0.349 0.000 0.983 145 R CB -0.074 30.062 30.300 -0.274 0.000 0.874 145 R HN 0.357 nan 8.270 nan 0.000 0.451 146 N N 0.800 119.322 118.700 -0.297 0.000 2.407 146 N HA -0.098 4.667 4.740 0.042 0.000 0.250 146 N C -0.335 175.103 175.510 -0.120 0.000 1.236 146 N CA 0.534 53.481 53.050 -0.172 0.000 0.879 146 N CB 0.719 39.087 38.487 -0.199 0.000 1.088 146 N HN 0.223 nan 8.380 nan 0.000 0.450 147 N N 1.505 120.165 118.700 -0.068 0.000 2.416 147 N HA 0.009 4.774 4.740 0.042 0.000 0.177 147 N C -0.407 175.091 175.510 -0.020 0.000 1.036 147 N CA 0.288 53.312 53.050 -0.043 0.000 0.901 147 N CB 0.147 38.616 38.487 -0.029 0.000 0.976 147 N HN 0.537 nan 8.380 nan 0.000 0.444 148 N N 1.710 120.401 118.700 -0.015 0.000 2.529 148 N HA 0.034 4.799 4.740 0.042 0.000 0.278 148 N C -0.355 175.169 175.510 0.023 0.000 1.146 148 N CA 0.270 53.323 53.050 0.006 0.000 0.980 148 N CB 0.836 39.327 38.487 0.008 0.000 1.124 148 N HN 0.147 nan 8.380 nan 0.000 0.458 149 E N -0.616 119.609 120.200 0.041 0.000 2.476 149 E HA -0.283 4.092 4.350 0.042 0.000 0.251 149 E C 0.569 177.222 176.600 0.088 0.000 1.130 149 E CA 0.482 56.923 56.400 0.067 0.000 0.736 149 E CB -0.759 28.978 29.700 0.062 0.000 1.298 149 E HN 0.597 nan 8.360 nan 0.000 0.400 150 K N 0.592 121.034 120.400 0.069 0.000 2.057 150 K HA -0.177 4.168 4.320 0.042 0.000 0.206 150 K C 1.433 178.099 176.600 0.109 0.000 1.050 150 K CA 1.706 58.033 56.287 0.066 0.000 0.935 150 K CB 0.164 32.682 32.500 0.031 0.000 0.715 150 K HN 0.089 nan 8.250 nan 0.000 0.439 151 D N 0.251 120.726 120.400 0.125 0.000 2.149 151 D HA -0.175 4.490 4.640 0.042 0.000 0.198 151 D C 1.902 178.364 176.300 0.270 0.000 0.990 151 D CA 1.093 55.180 54.000 0.146 0.000 0.839 151 D CB 0.047 40.932 40.800 0.142 0.000 0.948 151 D HN 0.231 nan 8.370 nan 0.000 0.460 152 M N 0.267 120.053 119.600 0.309 0.000 2.098 152 M HA 0.006 4.511 4.480 0.042 0.000 0.262 152 M C 2.353 178.790 176.300 0.228 0.000 1.072 152 M CA 0.752 56.240 55.300 0.312 0.000 1.133 152 M CB -1.052 31.656 32.600 0.181 0.000 1.344 152 M HN -0.048 nan 8.290 nan 0.000 0.414 153 A N 0.237 123.170 122.820 0.189 0.000 1.883 153 A HA -0.182 4.163 4.320 0.042 0.000 0.217 153 A C 2.195 179.914 177.584 0.225 0.000 1.186 153 A CA 1.572 53.726 52.037 0.196 0.000 0.624 153 A CB -0.968 18.168 19.000 0.225 0.000 0.822 153 A HN 0.426 nan 8.150 nan 0.000 0.444 154 L N -0.589 120.764 121.223 0.217 0.000 2.109 154 L HA -0.040 4.325 4.340 0.042 0.000 0.207 154 L C 2.388 179.437 176.870 0.299 0.000 1.086 154 L CA 2.635 57.632 54.840 0.261 0.000 0.760 154 L CB -0.891 41.291 42.059 0.205 0.000 0.910 154 L HN 0.342 nan 8.230 nan 0.000 0.437 155 T N -0.181 114.544 114.554 0.284 0.000 2.777 155 T HA -0.095 4.280 4.350 0.042 0.000 0.266 155 T C 1.917 176.773 174.700 0.261 0.000 1.040 155 T CA 1.205 63.513 62.100 0.347 0.000 1.141 155 T CB -0.417 68.643 68.868 0.320 0.000 0.868 155 T HN 0.506 nan 8.240 nan 0.000 0.444 156 A N 1.084 124.026 122.820 0.203 0.000 1.877 156 A HA -0.037 4.308 4.320 0.042 0.000 0.216 156 A C 2.005 179.619 177.584 0.050 0.000 1.186 156 A CA 1.376 53.468 52.037 0.092 0.000 0.620 156 A CB -1.010 18.015 19.000 0.043 0.000 0.822 156 A HN 0.483 nan 8.150 nan 0.000 0.443 157 F N 0.856 120.800 119.950 -0.010 0.000 2.069 157 F HA -0.190 4.362 4.527 0.041 0.000 0.298 157 F C 2.247 177.998 175.800 -0.081 0.000 1.113 157 F CA 2.238 60.235 58.000 -0.005 0.000 1.214 157 F CB -0.318 38.748 39.000 0.109 0.000 0.978 157 F HN 0.033 nan 8.300 nan 0.000 0.474 158 V N 0.381 120.269 119.914 -0.044 0.000 2.427 158 V HA -0.257 3.888 4.120 0.042 0.000 0.248 158 V C 2.296 178.146 176.094 -0.408 0.000 1.051 158 V CA 1.588 63.659 62.300 -0.381 0.000 1.048 158 V CB -0.862 30.515 31.823 -0.744 0.000 0.666 158 V HN 0.441 nan 8.190 nan 0.000 0.456 159 L N 0.052 121.153 121.223 -0.202 0.000 2.083 159 L HA -0.118 4.247 4.340 0.042 0.000 0.209 159 L C 2.146 178.904 176.870 -0.187 0.000 1.083 159 L CA 1.781 56.556 54.840 -0.108 0.000 0.752 159 L CB -0.553 41.517 42.059 0.017 0.000 0.899 159 L HN 0.219 nan 8.230 nan 0.000 0.433 160 I N -1.157 119.271 120.570 -0.236 0.000 2.226 160 I HA -0.320 3.874 4.170 0.042 0.000 0.245 160 I C 2.354 178.323 176.117 -0.247 0.000 1.100 160 I CA 1.457 62.604 61.300 -0.255 0.000 1.374 160 I CB -0.395 37.499 38.000 -0.175 0.000 1.057 160 I HN 0.223 nan 8.210 nan 0.000 0.413 161 S N 0.835 116.321 115.700 -0.356 0.000 2.368 161 S HA -0.102 4.393 4.470 0.042 0.000 0.225 161 S C 1.976 176.447 174.600 -0.215 0.000 1.030 161 S CA 1.180 59.182 58.200 -0.329 0.000 0.999 161 S CB -0.335 62.597 63.200 -0.447 0.000 0.844 161 S HN 0.343 nan 8.310 nan 0.000 0.459 162 L N 1.115 122.214 121.223 -0.205 0.000 2.093 162 L HA -0.153 4.212 4.340 0.042 0.000 0.208 162 L C 2.677 179.493 176.870 -0.090 0.000 1.085 162 L CA 1.220 55.986 54.840 -0.124 0.000 0.755 162 L CB -0.625 41.378 42.059 -0.094 0.000 0.904 162 L HN 0.360 nan 8.230 nan 0.000 0.435 163 Q N 0.002 119.736 119.800 -0.111 0.000 2.119 163 Q HA -0.180 4.185 4.340 0.042 0.000 0.201 163 Q C 1.911 177.870 176.000 -0.068 0.000 0.972 163 Q CA 1.275 57.020 55.803 -0.096 0.000 0.847 163 Q CB 0.039 28.689 28.738 -0.148 0.000 0.903 163 Q HN 0.534 nan 8.270 nan 0.000 0.433 164 E N -0.191 119.968 120.200 -0.069 0.000 2.427 164 E HA -0.028 4.347 4.350 0.042 0.000 0.196 164 E C 1.306 177.895 176.600 -0.018 0.000 1.028 164 E CA 0.562 56.948 56.400 -0.024 0.000 0.864 164 E CB 0.198 29.896 29.700 -0.004 0.000 0.813 164 E HN 0.276 nan 8.360 nan 0.000 0.514 165 A N 1.047 123.846 122.820 -0.036 0.000 2.220 165 A HA 0.021 4.366 4.320 0.042 0.000 0.211 165 A C 1.877 179.459 177.584 -0.004 0.000 1.176 165 A CA 0.106 52.133 52.037 -0.015 0.000 0.834 165 A CB 0.011 18.995 19.000 -0.026 0.000 0.868 165 A HN -0.004 nan 8.150 nan 0.000 0.488 166 K N 0.536 120.928 120.400 -0.012 0.000 2.034 166 K HA -0.268 4.077 4.320 0.042 0.000 0.214 166 K C 1.275 177.877 176.600 0.004 0.000 1.051 166 K CA 2.190 58.473 56.287 -0.005 0.000 0.931 166 K CB -0.195 32.297 32.500 -0.013 0.000 0.715 166 K HN 0.345 nan 8.250 nan 0.000 0.446 167 D N 0.288 120.692 120.400 0.006 0.000 2.133 167 D HA -0.178 4.487 4.640 0.042 0.000 0.195 167 D C 1.793 178.102 176.300 0.014 0.000 0.997 167 D CA 1.172 55.178 54.000 0.011 0.000 0.840 167 D CB -0.095 40.714 40.800 0.015 0.000 0.947 167 D HN 0.243 nan 8.370 nan 0.000 0.452 168 I N -0.070 120.510 120.570 0.018 0.000 2.439 168 I HA -0.142 4.053 4.170 0.042 0.000 0.251 168 I C 1.861 177.994 176.117 0.026 0.000 1.139 168 I CA 0.690 62.004 61.300 0.023 0.000 1.438 168 I CB -0.877 37.142 38.000 0.030 0.000 1.085 168 I HN 0.087 nan 8.210 nan 0.000 0.427 169 c N 0.094 118.709 118.600 0.024 0.000 3.038 169 c HA 0.160 4.755 4.570 0.042 0.000 0.279 169 c C 2.339 176.443 174.090 0.023 0.000 1.276 169 c CA -0.546 55.800 56.329 0.028 0.000 1.697 169 c CB -0.097 42.432 42.510 0.032 0.000 2.032 169 c HN 0.391 nan 8.230 nan 0.000 0.636 170 E N 2.017 122.227 120.200 0.017 0.000 2.055 170 E HA -0.212 4.163 4.350 0.042 0.000 0.209 170 E C 1.892 178.501 176.600 0.015 0.000 1.036 170 E CA 1.674 58.082 56.400 0.013 0.000 0.849 170 E CB -0.233 29.473 29.700 0.010 0.000 0.767 170 E HN 0.597 nan 8.360 nan 0.000 0.461 171 E N 0.211 120.421 120.200 0.015 0.000 2.204 171 E HA -0.184 4.191 4.350 0.042 0.000 0.195 171 E C 1.914 178.526 176.600 0.019 0.000 0.990 171 E CA 1.035 57.444 56.400 0.015 0.000 0.821 171 E CB -0.257 29.452 29.700 0.014 0.000 0.750 171 E HN 0.609 nan 8.360 nan 0.000 0.477 172 Q N -0.283 119.531 119.800 0.024 0.000 2.247 172 Q HA 0.208 4.573 4.340 0.042 0.000 0.211 172 Q C 0.139 176.158 176.000 0.032 0.000 0.861 172 Q CA 0.069 55.889 55.803 0.028 0.000 0.949 172 Q CB 0.847 29.605 28.738 0.033 0.000 1.115 172 Q HN -0.089 nan 8.270 nan 0.000 0.507 173 V N 2.319 122.251 119.914 0.031 0.000 2.320 173 V HA 0.144 4.289 4.120 0.042 0.000 0.268 173 V C 0.437 176.547 176.094 0.026 0.000 1.021 173 V CA -0.587 61.733 62.300 0.034 0.000 0.813 173 V CB 0.652 32.499 31.823 0.040 0.000 1.054 173 V HN 0.342 nan 8.190 nan 0.000 0.444 174 N N 2.077 120.790 118.700 0.023 0.000 2.137 174 N HA -0.188 4.577 4.740 0.042 0.000 0.190 174 N C 1.909 177.428 175.510 0.015 0.000 1.017 174 N CA 1.650 54.710 53.050 0.017 0.000 0.859 174 N CB 0.178 38.673 38.487 0.014 0.000 1.002 174 N HN 0.736 nan 8.380 nan 0.000 0.428 175 S N 0.648 116.359 115.700 0.018 0.000 2.522 175 S HA -0.014 4.481 4.470 0.042 0.000 0.227 175 S C 1.853 176.465 174.600 0.021 0.000 0.986 175 S CA 0.055 58.264 58.200 0.016 0.000 0.929 175 S CB -0.190 63.019 63.200 0.015 0.000 0.769 175 S HN 0.153 nan 8.310 nan 0.000 0.529 176 L N 3.168 124.406 121.223 0.026 0.000 1.997 176 L HA -0.002 4.363 4.340 0.042 0.000 0.216 176 L C -1.011 175.871 176.870 0.020 0.000 1.074 176 L CA 2.048 56.904 54.840 0.028 0.000 0.763 176 L CB -1.538 40.534 42.059 0.023 0.000 0.890 176 L HN 0.154 nan 8.230 nan 0.000 0.434 177 P HA -0.110 nan 4.420 nan 0.000 0.215 177 P C 1.605 178.908 177.300 0.004 0.000 1.157 177 P CA 1.858 64.961 63.100 0.004 0.000 0.868 177 P CB -0.406 31.295 31.700 0.001 0.000 0.788 178 G N -0.896 107.906 108.800 0.004 0.000 2.408 178 G HA2 -0.248 3.737 3.960 0.042 0.000 0.217 178 G HA3 -0.248 3.737 3.960 0.042 0.000 0.217 178 G C 1.849 176.749 174.900 -0.000 0.000 1.150 178 G CA 1.031 46.130 45.100 -0.002 0.000 0.776 178 G HN 0.312 nan 8.290 nan 0.000 0.542 179 S N 0.085 115.794 115.700 0.015 0.000 2.368 179 S HA -0.013 4.482 4.470 0.042 0.000 0.224 179 S C 2.403 177.039 174.600 0.061 0.000 1.029 179 S CA 0.828 59.048 58.200 0.034 0.000 0.988 179 S CB -0.261 62.992 63.200 0.089 0.000 0.838 179 S HN 0.362 nan 8.310 nan 0.000 0.462 180 I N 1.162 121.764 120.570 0.052 0.000 2.226 180 I HA -0.167 4.028 4.170 0.042 0.000 0.245 180 I C 2.550 178.681 176.117 0.023 0.000 1.100 180 I CA 1.492 62.817 61.300 0.042 0.000 1.374 180 I CB -0.749 37.255 38.000 0.007 0.000 1.057 180 I HN 0.337 nan 8.210 nan 0.000 0.413 181 T N 0.463 115.022 114.554 0.008 0.000 2.708 181 T HA -0.148 4.227 4.350 0.042 0.000 0.266 181 T C 2.016 176.719 174.700 0.006 0.000 1.037 181 T CA 1.004 63.103 62.100 -0.002 0.000 1.146 181 T CB -0.102 68.761 68.868 -0.008 0.000 0.865 181 T HN 0.132 nan 8.240 nan 0.000 0.435 182 K N 1.355 121.754 120.400 -0.001 0.000 2.063 182 K HA 0.050 4.395 4.320 0.042 0.000 0.208 182 K C 2.562 179.173 176.600 0.019 0.000 1.048 182 K CA 1.403 57.683 56.287 -0.010 0.000 0.928 182 K CB -0.757 31.709 32.500 -0.058 0.000 0.713 182 K HN 0.361 nan 8.250 nan 0.000 0.442 183 A N 0.600 123.438 122.820 0.029 0.000 1.930 183 A HA -0.054 4.291 4.320 0.042 0.000 0.217 183 A C 2.428 180.093 177.584 0.135 0.000 1.175 183 A CA 1.977 54.074 52.037 0.100 0.000 0.627 183 A CB -0.897 18.228 19.000 0.208 0.000 0.815 183 A HN 0.391 nan 8.150 nan 0.000 0.443 184 G N 0.112 108.953 108.800 0.068 0.000 2.421 184 G HA2 -0.249 3.736 3.960 0.042 0.000 0.216 184 G HA3 -0.249 3.736 3.960 0.042 0.000 0.216 184 G C 1.122 176.040 174.900 0.029 0.000 1.171 184 G CA 1.166 46.282 45.100 0.026 0.000 0.775 184 G HN 0.453 nan 8.290 nan 0.000 0.543 185 D N 0.204 120.626 120.400 0.037 0.000 2.133 185 D HA -0.156 4.509 4.640 0.042 0.000 0.195 185 D C 1.980 178.310 176.300 0.051 0.000 0.997 185 D CA 0.845 54.863 54.000 0.031 0.000 0.840 185 D CB -0.429 40.393 40.800 0.035 0.000 0.947 185 D HN 0.314 nan 8.370 nan 0.000 0.452 186 F N 1.319 121.259 119.950 -0.017 0.000 2.102 186 F HA -0.107 4.446 4.527 0.044 0.000 0.298 186 F C 2.220 178.034 175.800 0.024 0.000 1.105 186 F CA 1.039 59.036 58.000 -0.004 0.000 1.239 186 F CB -0.318 38.672 39.000 -0.016 0.000 0.991 186 F HN -0.119 nan 8.300 nan 0.000 0.474 187 L N -0.001 121.217 121.223 -0.008 0.000 2.017 187 L HA -0.226 4.139 4.340 0.042 0.000 0.208 187 L C 2.511 179.336 176.870 -0.075 0.000 1.073 187 L CA 2.024 56.835 54.840 -0.049 0.000 0.745 187 L CB -0.951 41.146 42.059 0.063 0.000 0.894 187 L HN 0.233 nan 8.230 nan 0.000 0.432 188 E N 0.473 120.627 120.200 -0.077 0.000 2.058 188 E HA -0.245 4.130 4.350 0.042 0.000 0.194 188 E C 2.136 178.698 176.600 -0.063 0.000 0.997 188 E CA 1.305 57.660 56.400 -0.075 0.000 0.801 188 E CB -0.027 29.625 29.700 -0.080 0.000 0.746 188 E HN 0.448 nan 8.360 nan 0.000 0.450 189 A N 0.412 123.162 122.820 -0.115 0.000 2.121 189 A HA -0.089 4.256 4.320 0.042 0.000 0.218 189 A C 1.548 179.046 177.584 -0.144 0.000 1.154 189 A CA 1.125 53.093 52.037 -0.115 0.000 0.679 189 A CB -0.103 18.829 19.000 -0.114 0.000 0.795 189 A HN 0.281 nan 8.150 nan 0.000 0.458 190 N N -2.724 115.850 118.700 -0.209 0.000 2.159 190 N HA 0.047 4.812 4.740 0.042 0.000 0.217 190 N C 0.948 176.410 175.510 -0.079 0.000 1.223 190 N CA -0.019 52.916 53.050 -0.193 0.000 0.896 190 N CB 0.080 38.334 38.487 -0.388 0.000 1.064 190 N HN 0.515 nan 8.380 nan 0.000 0.518 191 Y N 2.397 122.614 120.300 -0.137 0.000 2.114 191 Y HA -0.152 4.423 4.550 0.041 0.000 0.282 191 Y C 2.320 178.200 175.900 -0.033 0.000 1.165 191 Y CA 1.732 59.789 58.100 -0.071 0.000 1.148 191 Y CB 0.047 38.472 38.460 -0.058 0.000 0.972 191 Y HN -0.074 nan 8.280 nan 0.000 0.504 192 M N -0.168 119.487 119.600 0.091 0.000 2.358 192 M HA -0.224 4.281 4.480 0.042 0.000 0.264 192 M C 1.245 177.518 176.300 -0.045 0.000 1.064 192 M CA 1.536 56.853 55.300 0.029 0.000 1.093 192 M CB -1.427 31.204 32.600 0.053 0.000 1.401 192 M HN 0.441 nan 8.290 nan 0.000 0.440 193 N N -0.058 118.606 118.700 -0.061 0.000 2.412 193 N HA 0.139 4.904 4.740 0.042 0.000 0.184 193 N C 0.095 175.557 175.510 -0.080 0.000 1.101 193 N CA -0.285 52.729 53.050 -0.059 0.000 0.881 193 N CB 0.230 38.689 38.487 -0.047 0.000 0.969 193 N HN 0.268 nan 8.380 nan 0.000 0.459 194 L N 1.243 122.383 121.223 -0.139 0.000 2.506 194 L HA -0.051 4.314 4.340 0.042 0.000 0.281 194 L C 1.242 178.055 176.870 -0.095 0.000 1.228 194 L CA 0.209 54.965 54.840 -0.141 0.000 0.850 194 L CB 0.614 42.513 42.059 -0.266 0.000 1.110 194 L HN 0.220 nan 8.230 nan 0.000 0.496 195 Q N 1.745 121.515 119.800 -0.051 0.000 2.431 195 Q HA 0.201 4.566 4.340 0.042 0.000 0.244 195 Q C 0.122 176.120 176.000 -0.003 0.000 0.880 195 Q CA 0.490 56.277 55.803 -0.026 0.000 0.954 195 Q CB 0.596 29.327 28.738 -0.013 0.000 1.105 195 Q HN 0.545 nan 8.270 nan 0.000 0.558 196 R N 0.714 121.226 120.500 0.019 0.000 2.297 196 R HA 0.333 4.698 4.340 0.042 0.000 0.308 196 R C 1.035 177.397 176.300 0.103 0.000 1.029 196 R CA -0.085 56.056 56.100 0.069 0.000 0.929 196 R CB 1.025 31.386 30.300 0.101 0.000 1.046 196 R HN -0.021 nan 8.270 nan 0.000 0.461 197 S N 1.777 117.557 115.700 0.133 0.000 2.383 197 S HA -0.220 4.275 4.470 0.042 0.000 0.229 197 S C 1.559 176.314 174.600 0.258 0.000 1.030 197 S CA 1.271 59.595 58.200 0.206 0.000 1.002 197 S CB -0.310 63.001 63.200 0.184 0.000 0.829 197 S HN 0.665 nan 8.310 nan 0.000 0.467 198 Y N 2.783 123.161 120.300 0.130 0.000 2.097 198 Y HA -0.252 4.323 4.550 0.041 0.000 0.282 198 Y C 2.561 178.503 175.900 0.070 0.000 1.152 198 Y CA 2.098 60.265 58.100 0.111 0.000 1.136 198 Y CB -0.979 37.525 38.460 0.073 0.000 0.975 198 Y HN 0.229 nan 8.280 nan 0.000 0.498 199 T N -0.488 114.158 114.554 0.153 0.000 2.777 199 T HA -0.173 4.202 4.350 0.042 0.000 0.266 199 T C 2.075 176.764 174.700 -0.020 0.000 1.040 199 T CA 1.474 63.599 62.100 0.042 0.000 1.141 199 T CB -0.913 68.010 68.868 0.091 0.000 0.868 199 T HN 0.221 nan 8.240 nan 0.000 0.444 200 V N 1.895 121.812 119.914 0.005 0.000 2.282 200 V HA -0.240 3.905 4.120 0.042 0.000 0.249 200 V C 2.947 179.179 176.094 0.230 0.000 1.057 200 V CA 1.922 64.247 62.300 0.042 0.000 1.032 200 V CB -1.253 30.645 31.823 0.126 0.000 0.645 200 V HN 0.581 nan 8.190 nan 0.000 0.447 201 A N -0.692 122.170 122.820 0.069 0.000 1.873 201 A HA -0.167 4.178 4.320 0.042 0.000 0.215 201 A C 2.252 179.787 177.584 -0.083 0.000 1.186 201 A CA 2.031 54.030 52.037 -0.064 0.000 0.616 201 A CB -0.483 18.343 19.000 -0.291 0.000 0.823 201 A HN 0.506 nan 8.150 nan 0.000 0.442 202 I N -0.825 119.564 120.570 -0.303 0.000 2.286 202 I HA -0.125 4.070 4.170 0.042 0.000 0.245 202 I C 2.566 178.562 176.117 -0.201 0.000 1.104 202 I CA 1.142 62.132 61.300 -0.517 0.000 1.397 202 I CB -0.091 37.383 38.000 -0.876 0.000 1.072 202 I HN 0.312 nan 8.210 nan 0.000 0.417 203 A N 0.370 123.166 122.820 -0.040 0.000 2.014 203 A HA -0.023 4.322 4.320 0.042 0.000 0.218 203 A C 2.260 179.884 177.584 0.067 0.000 1.163 203 A CA 1.302 53.389 52.037 0.083 0.000 0.652 203 A CB -1.231 17.918 19.000 0.248 0.000 0.808 203 A HN 0.513 nan 8.150 nan 0.000 0.449 204 G N -1.162 107.708 108.800 0.116 0.000 2.421 204 G HA2 -0.273 3.712 3.960 0.042 0.000 0.216 204 G HA3 -0.273 3.712 3.960 0.042 0.000 0.216 204 G C 1.545 176.285 174.900 -0.267 0.000 1.171 204 G CA 1.265 46.274 45.100 -0.151 0.000 0.775 204 G HN 0.545 nan 8.290 nan 0.000 0.543 205 Y N 2.269 122.414 120.300 -0.258 0.000 2.181 205 Y HA 0.027 4.603 4.550 0.043 0.000 0.288 205 Y C 2.841 178.649 175.900 -0.153 0.000 1.146 205 Y CA 1.003 58.991 58.100 -0.187 0.000 1.164 205 Y CB -0.710 37.739 38.460 -0.018 0.000 0.982 205 Y HN 0.249 nan 8.280 nan 0.000 0.515 206 A N 0.337 122.986 122.820 -0.285 0.000 1.902 206 A HA -0.151 4.194 4.320 0.042 0.000 0.217 206 A C 2.387 179.807 177.584 -0.274 0.000 1.181 206 A CA 1.877 53.709 52.037 -0.342 0.000 0.623 206 A CB -1.113 17.775 19.000 -0.186 0.000 0.818 206 A HN 0.542 nan 8.150 nan 0.000 0.443 207 L N -1.093 119.982 121.223 -0.246 0.000 2.156 207 L HA -0.102 4.263 4.340 0.042 0.000 0.208 207 L C 3.039 179.757 176.870 -0.253 0.000 1.095 207 L CA 0.793 55.482 54.840 -0.252 0.000 0.770 207 L CB -0.465 41.391 42.059 -0.338 0.000 0.914 207 L HN 0.435 nan 8.230 nan 0.000 0.439 208 A N -0.537 122.118 122.820 -0.276 0.000 1.972 208 A HA -0.229 4.116 4.320 0.042 0.000 0.219 208 A C 2.185 179.667 177.584 -0.170 0.000 1.169 208 A CA 1.295 53.196 52.037 -0.227 0.000 0.635 208 A CB -0.377 18.492 19.000 -0.218 0.000 0.810 208 A HN 0.450 nan 8.150 nan 0.000 0.446 209 Q N -0.869 118.801 119.800 -0.217 0.000 2.291 209 Q HA -0.085 4.280 4.340 0.042 0.000 0.205 209 Q C 1.405 177.323 176.000 -0.137 0.000 0.970 209 Q CA 1.412 57.103 55.803 -0.187 0.000 0.876 209 Q CB -0.226 28.328 28.738 -0.307 0.000 0.935 209 Q HN 0.947 nan 8.270 nan 0.000 0.455 210 M N -2.955 116.560 119.600 -0.142 0.000 2.673 210 M HA 0.422 4.927 4.480 0.042 0.000 0.334 210 M C 0.619 176.860 176.300 -0.098 0.000 1.211 210 M CA 0.137 55.374 55.300 -0.105 0.000 0.962 210 M CB 0.433 32.975 32.600 -0.096 0.000 1.343 210 M HN 0.037 nan 8.290 nan 0.000 0.511 211 G N 2.162 110.898 108.800 -0.107 0.000 2.321 211 G HA2 -0.292 3.693 3.960 0.042 0.000 0.287 211 G HA3 -0.292 3.693 3.960 0.042 0.000 0.287 211 G C 0.666 175.499 174.900 -0.111 0.000 1.018 211 G CA 0.614 45.653 45.100 -0.101 0.000 0.855 211 G HN 0.706 nan 8.290 nan 0.000 0.507 212 R N -1.449 118.966 120.500 -0.142 0.000 2.472 212 R HA 0.296 4.661 4.340 0.042 0.000 0.279 212 R C 0.592 176.768 176.300 -0.205 0.000 0.953 212 R CA -0.445 55.566 56.100 -0.149 0.000 1.088 212 R CB 0.547 30.766 30.300 -0.135 0.000 1.197 212 R HN 0.301 nan 8.270 nan 0.000 0.536 213 L N 2.336 123.417 121.223 -0.236 0.000 2.352 213 L HA 0.255 4.620 4.340 0.042 0.000 0.272 213 L C -0.756 175.994 176.870 -0.200 0.000 1.109 213 L CA -0.038 54.622 54.840 -0.300 0.000 0.952 213 L CB -0.184 41.637 42.059 -0.396 0.000 1.314 213 L HN -0.027 nan 8.230 nan 0.000 0.427 214 K N 2.165 122.475 120.400 -0.150 0.000 2.428 214 K HA 0.960 5.305 4.320 0.042 0.000 0.279 214 K C 0.374 176.942 176.600 -0.054 0.000 1.041 214 K CA -0.480 55.755 56.287 -0.087 0.000 0.887 214 K CB -0.340 32.116 32.500 -0.073 0.000 1.535 214 K HN 0.405 nan 8.250 nan 0.000 0.417 215 G N 0.371 109.154 108.800 -0.027 0.000 2.614 215 G HA2 -0.273 3.712 3.960 0.042 0.000 0.303 215 G HA3 -0.273 3.712 3.960 0.042 0.000 0.303 215 G C -1.314 173.591 174.900 0.010 0.000 1.270 215 G CA 0.353 45.447 45.100 -0.009 0.000 0.988 215 G HN 0.627 nan 8.290 nan 0.000 0.551 216 P HA 0.006 nan 4.420 nan 0.000 0.220 216 P C 2.173 179.522 177.300 0.082 0.000 1.148 216 P CA 1.535 64.662 63.100 0.044 0.000 0.803 216 P CB -0.032 31.691 31.700 0.038 0.000 0.782 217 L N -0.704 120.551 121.223 0.053 0.000 2.027 217 L HA -0.117 4.248 4.340 0.042 0.000 0.206 217 L C 2.674 179.609 176.870 0.109 0.000 1.074 217 L CA 1.389 56.274 54.840 0.075 0.000 0.745 217 L CB -1.945 40.003 42.059 -0.186 0.000 0.898 217 L HN -0.049 nan 8.230 nan 0.000 0.433 218 L N -0.126 121.114 121.223 0.027 0.000 2.046 218 L HA -0.200 4.165 4.340 0.042 0.000 0.208 218 L C 2.246 179.220 176.870 0.173 0.000 1.077 218 L CA 1.769 56.657 54.840 0.079 0.000 0.747 218 L CB -0.896 41.166 42.059 0.004 0.000 0.896 218 L HN 0.389 nan 8.230 nan 0.000 0.432 219 N N -0.143 118.626 118.700 0.115 0.000 2.120 219 N HA -0.282 4.483 4.740 0.042 0.000 0.188 219 N C 1.973 177.559 175.510 0.128 0.000 1.024 219 N CA 1.874 54.983 53.050 0.098 0.000 0.852 219 N CB -0.224 38.302 38.487 0.065 0.000 1.003 219 N HN 0.464 nan 8.380 nan 0.000 0.424 220 K N -0.928 119.583 120.400 0.186 0.000 2.026 220 K HA -0.174 4.171 4.320 0.042 0.000 0.208 220 K C 1.970 178.726 176.600 0.261 0.000 1.048 220 K CA 1.260 57.665 56.287 0.196 0.000 0.929 220 K CB -0.437 32.209 32.500 0.245 0.000 0.713 220 K HN 0.241 nan 8.250 nan 0.000 0.439 221 F N 1.792 121.896 119.950 0.256 0.000 2.069 221 F HA -0.209 4.344 4.527 0.043 0.000 0.298 221 F C 1.643 177.621 175.800 0.297 0.000 1.113 221 F CA 1.595 59.784 58.000 0.316 0.000 1.214 221 F CB -0.285 38.851 39.000 0.227 0.000 0.978 221 F HN -0.018 nan 8.300 nan 0.000 0.474 222 L N -0.138 121.119 121.223 0.057 0.000 2.056 222 L HA -0.180 4.185 4.340 0.042 0.000 0.207 222 L C 2.507 179.248 176.870 -0.215 0.000 1.078 222 L CA 1.790 56.488 54.840 -0.237 0.000 0.749 222 L CB -1.390 40.554 42.059 -0.190 0.000 0.901 222 L HN 0.339 nan 8.230 nan 0.000 0.433 223 T N -5.215 109.284 114.554 -0.092 0.000 3.072 223 T HA -0.081 4.294 4.350 0.042 0.000 0.266 223 T C 1.655 176.245 174.700 -0.183 0.000 1.127 223 T CA 1.135 63.175 62.100 -0.100 0.000 1.107 223 T CB -0.378 68.469 68.868 -0.036 0.000 0.910 223 T HN 0.164 nan 8.240 nan 0.000 0.513 224 T N 2.190 116.610 114.554 -0.222 0.000 2.904 224 T HA 0.327 4.702 4.350 0.042 0.000 0.267 224 T C 1.225 175.554 174.700 -0.619 0.000 1.059 224 T CA 0.607 62.540 62.100 -0.279 0.000 1.137 224 T CB -0.570 68.241 68.868 -0.096 0.000 0.879 224 T HN 0.737 nan 8.240 nan 0.000 0.467 225 A N 2.167 124.359 122.820 -1.048 0.000 2.540 225 A HA 0.223 4.568 4.320 0.042 0.000 0.239 225 A C 0.558 177.749 177.584 -0.654 0.000 1.061 225 A CA 0.078 51.305 52.037 -1.351 0.000 0.758 225 A CB 0.168 18.231 19.000 -1.561 0.000 0.991 225 A HN 0.034 nan 8.150 nan 0.000 0.502 226 K N 1.794 121.850 120.400 -0.574 0.000 2.276 226 K HA 0.143 4.488 4.320 0.042 0.000 0.285 226 K C -0.373 176.037 176.600 -0.318 0.000 1.062 226 K CA 0.018 56.092 56.287 -0.356 0.000 0.918 226 K CB 0.606 32.924 32.500 -0.302 0.000 1.055 226 K HN 0.769 nan 8.250 nan 0.000 0.477 227 D N 3.248 123.513 120.400 -0.224 0.000 2.882 227 D HA -0.218 4.447 4.640 0.042 0.000 0.229 227 D C -0.332 175.835 176.300 -0.222 0.000 1.167 227 D CA 0.999 54.889 54.000 -0.182 0.000 0.759 227 D CB -0.558 40.156 40.800 -0.143 0.000 1.088 227 D HN 0.772 nan 8.370 nan 0.000 0.425 228 K N -1.783 118.465 120.400 -0.254 0.000 3.130 228 K HA -0.300 4.045 4.320 0.042 0.000 0.282 228 K C 0.700 177.106 176.600 -0.324 0.000 1.145 228 K CA 1.517 57.628 56.287 -0.293 0.000 0.831 228 K CB -2.273 29.945 32.500 -0.470 0.000 1.226 228 K HN 0.796 nan 8.250 nan 0.000 0.478 229 N N -0.534 118.003 118.700 -0.272 0.000 2.082 229 N HA 0.015 4.780 4.740 0.042 0.000 0.228 229 N C -0.227 175.126 175.510 -0.262 0.000 1.341 229 N CA -0.677 52.280 53.050 -0.155 0.000 0.873 229 N CB 0.714 39.149 38.487 -0.087 0.000 1.137 229 N HN 0.302 nan 8.380 nan 0.000 0.505 230 R N -0.889 119.326 120.500 -0.475 0.000 2.664 230 R HA 0.260 4.625 4.340 0.042 0.000 0.266 230 R C -2.103 173.922 176.300 -0.459 0.000 1.046 230 R CA -0.876 54.876 56.100 -0.581 0.000 0.885 230 R CB 0.755 30.164 30.300 -1.486 0.000 1.254 230 R HN 0.007 nan 8.270 nan 0.000 0.465 231 W N 2.575 123.658 121.300 -0.361 0.000 2.318 231 W HA 0.306 4.992 4.660 0.043 0.000 0.315 231 W C -0.483 175.945 176.519 -0.152 0.000 1.033 231 W CA -0.225 56.997 57.345 -0.204 0.000 1.275 231 W CB 1.969 31.354 29.460 -0.125 0.000 1.250 231 W HN 0.766 nan 8.180 nan 0.000 0.421 232 E N 1.931 122.129 120.200 -0.005 0.000 2.367 232 E HA 0.529 4.904 4.350 0.042 0.000 0.273 232 E C -1.360 175.270 176.600 0.050 0.000 0.903 232 E CA -0.796 55.624 56.400 0.034 0.000 0.764 232 E CB 2.824 32.502 29.700 -0.036 0.000 1.252 232 E HN 0.054 nan 8.360 nan 0.000 0.446 233 D N 1.445 121.899 120.400 0.089 0.000 2.547 233 D HA 0.336 5.001 4.640 0.042 0.000 0.231 233 D C -2.456 173.878 176.300 0.057 0.000 1.099 233 D CA -1.472 52.573 54.000 0.075 0.000 0.901 233 D CB 2.033 42.902 40.800 0.115 0.000 1.478 233 D HN 0.341 nan 8.370 nan 0.000 0.471 234 P HA 0.339 nan 4.420 nan 0.000 0.271 234 P C -0.105 177.208 177.300 0.022 0.000 1.233 234 P CA 0.103 63.215 63.100 0.020 0.000 0.764 234 P CB 0.911 32.617 31.700 0.010 0.000 0.825 235 G N 2.722 111.520 108.800 -0.003 0.000 2.344 235 G HA2 0.142 4.127 3.960 0.042 0.000 0.282 235 G HA3 0.142 4.127 3.960 0.042 0.000 0.282 235 G C -1.327 173.493 174.900 -0.135 0.000 1.281 235 G CA -0.880 44.193 45.100 -0.045 0.000 0.877 235 G HN 0.459 nan 8.290 nan 0.000 0.494 236 K N 0.709 120.907 120.400 -0.336 0.000 2.436 236 K HA 0.165 4.510 4.320 0.042 0.000 0.275 236 K C 0.646 177.080 176.600 -0.278 0.000 0.999 236 K CA -0.386 55.662 56.287 -0.398 0.000 0.980 236 K CB 1.433 33.509 32.500 -0.707 0.000 0.919 236 K HN 0.421 nan 8.250 nan 0.000 0.484 237 Q N 1.525 121.233 119.800 -0.152 0.000 2.226 237 Q HA -0.027 4.338 4.340 0.042 0.000 0.204 237 Q C 1.887 177.847 176.000 -0.066 0.000 0.975 237 Q CA 1.031 56.802 55.803 -0.053 0.000 0.866 237 Q CB -0.097 28.621 28.738 -0.033 0.000 0.915 237 Q HN 0.625 nan 8.270 nan 0.000 0.440 238 L N -0.460 120.666 121.223 -0.162 0.000 2.083 238 L HA -0.227 4.138 4.340 0.042 0.000 0.209 238 L C 1.984 178.911 176.870 0.096 0.000 1.083 238 L CA 1.148 55.909 54.840 -0.131 0.000 0.752 238 L CB -0.434 41.556 42.059 -0.115 0.000 0.899 238 L HN 0.247 nan 8.230 nan 0.000 0.433 239 Y N -0.182 120.127 120.300 0.016 0.000 2.293 239 Y HA -0.155 4.421 4.550 0.043 0.000 0.291 239 Y C 2.514 178.536 175.900 0.203 0.000 1.137 239 Y CA 0.416 58.572 58.100 0.095 0.000 1.202 239 Y CB -1.084 37.374 38.460 -0.005 0.000 0.990 239 Y HN 0.313 nan 8.280 nan 0.000 0.537 240 N N -0.200 118.679 118.700 0.298 0.000 2.188 240 N HA -0.111 4.654 4.740 0.042 0.000 0.184 240 N C 2.047 177.739 175.510 0.303 0.000 1.018 240 N CA 1.069 54.284 53.050 0.275 0.000 0.858 240 N CB -0.630 37.995 38.487 0.230 0.000 0.989 240 N HN 0.182 nan 8.380 nan 0.000 0.426 241 V N 1.531 121.592 119.914 0.245 0.000 2.427 241 V HA -0.151 3.994 4.120 0.042 0.000 0.248 241 V C 2.402 178.575 176.094 0.132 0.000 1.051 241 V CA 1.390 63.800 62.300 0.184 0.000 1.048 241 V CB -0.363 31.364 31.823 -0.159 0.000 0.666 241 V HN 0.361 nan 8.190 nan 0.000 0.456 242 E N 0.262 120.559 120.200 0.163 0.000 2.046 242 E HA -0.187 4.188 4.350 0.042 0.000 0.190 242 E C 2.286 179.023 176.600 0.229 0.000 0.982 242 E CA 1.265 57.777 56.400 0.187 0.000 0.800 242 E CB -0.162 29.737 29.700 0.332 0.000 0.756 242 E HN 0.534 nan 8.360 nan 0.000 0.449 243 A N 0.501 123.514 122.820 0.320 0.000 1.883 243 A HA -0.184 4.161 4.320 0.042 0.000 0.217 243 A C 2.405 180.055 177.584 0.110 0.000 1.186 243 A CA 2.229 54.402 52.037 0.225 0.000 0.624 243 A CB -1.125 18.049 19.000 0.288 0.000 0.822 243 A HN 0.352 nan 8.150 nan 0.000 0.444 244 T N 0.117 114.765 114.554 0.156 0.000 2.833 244 T HA -0.097 4.278 4.350 0.042 0.000 0.269 244 T C 2.168 176.891 174.700 0.038 0.000 1.054 244 T CA 1.601 63.781 62.100 0.133 0.000 1.135 244 T CB -0.269 68.723 68.868 0.206 0.000 0.869 244 T HN 0.480 nan 8.240 nan 0.000 0.466 245 S N 0.242 115.953 115.700 0.019 0.000 2.371 245 S HA -0.022 4.473 4.470 0.042 0.000 0.224 245 S C 1.709 176.200 174.600 -0.182 0.000 1.029 245 S CA 0.689 58.835 58.200 -0.090 0.000 0.978 245 S CB -0.397 62.715 63.200 -0.147 0.000 0.833 245 S HN 0.481 nan 8.310 nan 0.000 0.466 246 Y N 1.951 122.166 120.300 -0.142 0.000 2.181 246 Y HA -0.083 4.492 4.550 0.041 0.000 0.288 246 Y C 2.650 178.384 175.900 -0.275 0.000 1.146 246 Y CA 0.527 58.494 58.100 -0.222 0.000 1.164 246 Y CB -0.902 37.481 38.460 -0.129 0.000 0.982 246 Y HN 0.262 nan 8.280 nan 0.000 0.515 247 A N -0.403 122.310 122.820 -0.178 0.000 1.902 247 A HA -0.187 4.157 4.320 0.042 0.000 0.217 247 A C 2.196 179.679 177.584 -0.168 0.000 1.181 247 A CA 1.677 53.479 52.037 -0.390 0.000 0.623 247 A CB -1.081 16.980 19.000 -1.564 0.000 0.818 247 A HN 0.427 nan 8.150 nan 0.000 0.443 248 L N -0.327 120.822 121.223 -0.123 0.000 2.083 248 L HA -0.073 4.292 4.340 0.042 0.000 0.209 248 L C 2.166 179.018 176.870 -0.030 0.000 1.083 248 L CA 1.630 56.468 54.840 -0.003 0.000 0.752 248 L CB -0.521 41.552 42.059 0.023 0.000 0.899 248 L HN 0.380 nan 8.230 nan 0.000 0.433 249 L N -0.701 120.410 121.223 -0.186 0.000 2.141 249 L HA -0.135 4.230 4.340 0.042 0.000 0.209 249 L C 2.625 179.410 176.870 -0.143 0.000 1.094 249 L CA 0.981 55.631 54.840 -0.316 0.000 0.763 249 L CB -0.824 40.667 42.059 -0.947 0.000 0.908 249 L HN 0.389 nan 8.230 nan 0.000 0.437 250 A N 0.230 122.998 122.820 -0.086 0.000 1.855 250 A HA -0.151 4.194 4.320 0.042 0.000 0.215 250 A C 2.222 179.761 177.584 -0.076 0.000 1.191 250 A CA 1.264 53.275 52.037 -0.043 0.000 0.613 250 A CB -0.726 18.065 19.000 -0.348 0.000 0.829 250 A HN 0.317 nan 8.150 nan 0.000 0.442 251 L N -0.510 120.714 121.223 0.003 0.000 2.081 251 L HA -0.222 4.143 4.340 0.042 0.000 0.212 251 L C 2.515 179.362 176.870 -0.038 0.000 1.080 251 L CA 1.185 56.049 54.840 0.040 0.000 0.754 251 L CB -0.557 41.602 42.059 0.168 0.000 0.893 251 L HN 0.386 nan 8.230 nan 0.000 0.433 252 L N -0.995 120.241 121.223 0.023 0.000 2.141 252 L HA -0.194 4.171 4.340 0.042 0.000 0.209 252 L C 2.578 179.449 176.870 0.001 0.000 1.094 252 L CA 0.687 55.555 54.840 0.047 0.000 0.763 252 L CB -0.336 41.819 42.059 0.160 0.000 0.908 252 L HN 0.269 nan 8.230 nan 0.000 0.437 253 Q N 0.472 120.282 119.800 0.017 0.000 2.172 253 Q HA -0.108 4.257 4.340 0.042 0.000 0.200 253 Q C 2.025 177.990 176.000 -0.059 0.000 0.964 253 Q CA 1.433 57.248 55.803 0.019 0.000 0.855 253 Q CB -0.051 28.726 28.738 0.065 0.000 0.918 253 Q HN 0.466 nan 8.270 nan 0.000 0.444 254 L N -0.033 121.122 121.223 -0.112 0.000 2.492 254 L HA 0.075 4.440 4.340 0.042 0.000 0.223 254 L C 0.353 177.096 176.870 -0.211 0.000 1.132 254 L CA 0.334 55.090 54.840 -0.141 0.000 0.850 254 L CB -0.010 41.967 42.059 -0.137 0.000 0.966 254 L HN 0.126 nan 8.230 nan 0.000 0.454 255 K N -0.412 119.767 120.400 -0.368 0.000 3.160 255 K HA -0.227 4.118 4.320 0.042 0.000 0.280 255 K C -0.061 175.988 176.600 -0.919 0.000 1.154 255 K CA 0.724 56.508 56.287 -0.838 0.000 0.822 255 K CB -1.563 30.735 32.500 -0.337 0.000 1.239 255 K HN 0.237 nan 8.250 nan 0.000 0.489 256 D N 0.568 120.652 120.400 -0.527 0.000 2.608 256 D HA 0.088 4.753 4.640 0.042 0.000 0.224 256 D C 0.458 176.676 176.300 -0.136 0.000 1.123 256 D CA -0.352 53.522 54.000 -0.210 0.000 1.030 256 D CB -0.344 40.441 40.800 -0.024 0.000 1.093 256 D HN 0.079 nan 8.370 nan 0.000 0.497 257 F N 0.538 120.583 119.950 0.157 0.000 2.771 257 F HA 0.049 4.601 4.527 0.041 0.000 0.299 257 F C 1.824 177.725 175.800 0.168 0.000 1.177 257 F CA 0.036 58.136 58.000 0.166 0.000 1.450 257 F CB 0.000 39.072 39.000 0.120 0.000 1.114 257 F HN 0.179 nan 8.300 nan 0.000 0.587 258 D N -0.859 119.710 120.400 0.281 0.000 2.183 258 D HA -0.093 4.572 4.640 0.042 0.000 0.205 258 D C 1.842 178.274 176.300 0.220 0.000 0.962 258 D CA 0.964 55.097 54.000 0.222 0.000 0.849 258 D CB -0.205 40.706 40.800 0.184 0.000 0.978 258 D HN 0.201 nan 8.370 nan 0.000 0.488 259 F N 0.066 120.093 119.950 0.129 0.000 2.569 259 F HA 0.033 4.585 4.527 0.042 0.000 0.295 259 F C 1.892 177.788 175.800 0.160 0.000 1.115 259 F CA 0.260 58.338 58.000 0.130 0.000 1.450 259 F CB 0.201 39.286 39.000 0.141 0.000 1.107 259 F HN -0.220 nan 8.300 nan 0.000 0.563 260 V N 1.684 121.829 119.914 0.386 0.000 2.255 260 V HA -0.246 3.899 4.120 0.042 0.000 0.247 260 V C -0.277 175.952 176.094 0.225 0.000 1.051 260 V CA 2.232 64.740 62.300 0.347 0.000 1.018 260 V CB -1.736 30.357 31.823 0.450 0.000 0.641 260 V HN 0.180 nan 8.190 nan 0.000 0.445 261 P HA -0.158 nan 4.420 nan 0.000 0.217 261 P C -1.350 175.982 177.300 0.053 0.000 1.162 261 P CA 2.226 65.394 63.100 0.113 0.000 0.901 261 P CB -1.220 30.546 31.700 0.109 0.000 0.793 262 P HA -0.105 nan 4.420 nan 0.000 0.217 262 P C 1.541 178.890 177.300 0.081 0.000 1.150 262 P CA 1.098 64.199 63.100 0.001 0.000 0.832 262 P CB -0.441 31.185 31.700 -0.124 0.000 0.787 263 V N -0.538 119.450 119.914 0.123 0.000 2.307 263 V HA -0.181 3.964 4.120 0.042 0.000 0.245 263 V C 2.440 178.636 176.094 0.169 0.000 1.045 263 V CA 1.682 64.110 62.300 0.214 0.000 1.024 263 V CB -1.251 30.757 31.823 0.308 0.000 0.651 263 V HN -0.039 nan 8.190 nan 0.000 0.449 264 V N -0.317 119.614 119.914 0.028 0.000 2.407 264 V HA -0.246 3.899 4.120 0.042 0.000 0.248 264 V C 2.592 178.660 176.094 -0.043 0.000 1.055 264 V CA 1.997 64.221 62.300 -0.127 0.000 1.049 264 V CB -0.773 30.758 31.823 -0.487 0.000 0.662 264 V HN 0.436 nan 8.190 nan 0.000 0.455 265 R N -1.600 118.910 120.500 0.017 0.000 2.081 265 R HA -0.222 4.143 4.340 0.042 0.000 0.235 265 R C 2.136 178.475 176.300 0.066 0.000 1.131 265 R CA 2.161 58.280 56.100 0.032 0.000 0.960 265 R CB -0.353 29.974 30.300 0.045 0.000 0.856 265 R HN 0.670 nan 8.270 nan 0.000 0.436 266 W N 1.221 122.501 121.300 -0.034 0.000 2.355 266 W HA -0.177 4.507 4.660 0.041 0.000 0.309 266 W C 1.636 178.133 176.519 -0.037 0.000 1.206 266 W CA 1.369 58.698 57.345 -0.025 0.000 1.284 266 W CB -0.423 29.035 29.460 -0.004 0.000 1.145 266 W HN -0.005 nan 8.180 nan 0.000 0.502 267 L N 0.767 122.078 121.223 0.147 0.000 2.012 267 L HA -0.327 4.038 4.340 0.042 0.000 0.210 267 L C 2.370 179.111 176.870 -0.215 0.000 1.073 267 L CA 1.697 56.498 54.840 -0.065 0.000 0.748 267 L CB -1.069 41.010 42.059 0.034 0.000 0.891 267 L HN 0.075 nan 8.230 nan 0.000 0.431 268 N N 0.070 118.688 118.700 -0.136 0.000 2.166 268 N HA -0.184 4.580 4.740 0.042 0.000 0.186 268 N C 1.609 177.020 175.510 -0.166 0.000 1.019 268 N CA 1.208 54.189 53.050 -0.116 0.000 0.856 268 N CB -0.155 38.303 38.487 -0.049 0.000 0.993 268 N HN 0.446 nan 8.380 nan 0.000 0.426 269 E N 0.397 120.468 120.200 -0.214 0.000 2.472 269 E HA -0.081 4.294 4.350 0.042 0.000 0.200 269 E C 1.249 177.638 176.600 -0.353 0.000 1.046 269 E CA 0.340 56.596 56.400 -0.240 0.000 0.871 269 E CB 0.128 29.699 29.700 -0.216 0.000 0.806 269 E HN 0.301 nan 8.360 nan 0.000 0.533 270 Q N 0.160 119.670 119.800 -0.483 0.000 2.389 270 Q HA 0.018 4.382 4.340 0.042 0.000 0.204 270 Q C 0.205 175.989 176.000 -0.359 0.000 0.944 270 Q CA 0.277 55.784 55.803 -0.493 0.000 0.908 270 Q CB 0.114 28.475 28.738 -0.628 0.000 1.002 270 Q HN 0.238 nan 8.270 nan 0.000 0.493 271 R N -0.004 120.262 120.500 -0.390 0.000 3.405 271 R HA -0.237 4.128 4.340 0.042 0.000 0.258 271 R C -0.730 175.005 176.300 -0.942 0.000 1.030 271 R CA 0.344 56.059 56.100 -0.641 0.000 0.691 271 R CB -2.760 27.321 30.300 -0.366 0.000 1.093 271 R HN 0.192 nan 8.270 nan 0.000 0.448 272 Y N 0.490 120.336 120.300 -0.756 0.000 2.383 272 Y HA 0.199 4.773 4.550 0.041 0.000 0.344 272 Y C 0.241 175.886 175.900 -0.425 0.000 0.986 272 Y CA -0.858 56.931 58.100 -0.517 0.000 1.175 272 Y CB 0.423 38.691 38.460 -0.319 0.000 1.152 272 Y HN 0.097 nan 8.280 nan 0.000 0.511 273 Y N 4.083 124.099 120.300 -0.473 0.000 2.636 273 Y HA 0.419 4.994 4.550 0.041 0.000 0.260 273 Y C 1.202 177.060 175.900 -0.069 0.000 1.177 273 Y CA -0.528 57.523 58.100 -0.081 0.000 1.209 273 Y CB 0.048 38.558 38.460 0.084 0.000 1.166 273 Y HN 0.869 nan 8.280 nan 0.000 0.531 274 G N 0.357 108.751 108.800 -0.677 0.000 2.806 274 G HA2 0.252 4.237 3.960 0.042 0.000 0.236 274 G HA3 0.252 4.237 3.960 0.042 0.000 0.236 274 G C 0.179 175.166 174.900 0.145 0.000 1.387 274 G CA 0.080 45.067 45.100 -0.187 0.000 0.884 274 G HN 1.300 nan 8.290 nan 0.000 0.560 275 G N -2.006 106.931 108.800 0.229 0.000 2.692 275 G HA2 0.536 4.521 3.960 0.042 0.000 0.686 275 G HA3 0.536 4.521 3.960 0.042 0.000 0.686 275 G C 1.145 176.158 174.900 0.188 0.000 1.243 275 G CA 0.725 45.974 45.100 0.249 0.000 0.782 275 G HN 3.275 nan 8.290 nan 0.000 0.625 276 G N -0.408 108.498 108.800 0.177 0.000 2.663 276 G HA2 0.344 4.329 3.960 0.042 0.000 0.686 276 G HA3 0.344 4.329 3.960 0.042 0.000 0.686 276 G C -0.102 174.915 174.900 0.196 0.000 1.288 276 G CA 0.132 45.337 45.100 0.174 0.000 0.836 276 G HN 2.287 nan 8.290 nan 0.000 0.584 277 Y N 1.283 121.634 120.300 0.084 0.000 2.717 277 Y HA 0.321 4.897 4.550 0.042 0.000 0.330 277 Y C 1.643 177.594 175.900 0.085 0.000 1.217 277 Y CA 1.873 60.019 58.100 0.076 0.000 1.506 277 Y CB 0.470 38.968 38.460 0.062 0.000 1.268 277 Y HN 2.510 nan 8.280 nan 0.000 0.561 278 G N 3.377 111.871 108.800 -0.510 0.000 2.179 278 G HA2 -0.346 3.639 3.960 0.042 0.000 0.257 278 G HA3 -0.346 3.639 3.960 0.042 0.000 0.257 278 G C 0.734 175.603 174.900 -0.052 0.000 1.010 278 G CA 0.810 45.688 45.100 -0.369 0.000 0.736 278 G HN 1.328 nan 8.290 nan 0.000 0.513 279 S N -1.788 113.942 115.700 0.050 0.000 2.540 279 S HA 0.188 4.683 4.470 0.042 0.000 0.218 279 S C 1.943 176.667 174.600 0.208 0.000 0.977 279 S CA 1.242 59.557 58.200 0.192 0.000 0.918 279 S CB 0.116 63.491 63.200 0.291 0.000 0.806 279 S HN 0.393 nan 8.310 nan 0.000 0.496 280 T N 3.090 117.718 114.554 0.125 0.000 2.597 280 T HA -0.180 4.195 4.350 0.042 0.000 0.267 280 T C 1.869 176.715 174.700 0.243 0.000 1.053 280 T CA 1.955 64.153 62.100 0.162 0.000 1.165 280 T CB -0.425 68.467 68.868 0.039 0.000 0.863 280 T HN 0.346 nan 8.240 nan 0.000 0.427 281 Q N 0.678 120.588 119.800 0.182 0.000 2.079 281 Q HA 0.108 4.473 4.340 0.042 0.000 0.200 281 Q C 2.718 178.884 176.000 0.278 0.000 0.974 281 Q CA 1.543 57.507 55.803 0.269 0.000 0.840 281 Q CB -0.937 27.952 28.738 0.251 0.000 0.898 281 Q HN 0.602 nan 8.270 nan 0.000 0.430 282 A N 0.434 123.386 122.820 0.220 0.000 1.902 282 A HA -0.157 4.188 4.320 0.042 0.000 0.217 282 A C 2.341 180.095 177.584 0.283 0.000 1.181 282 A CA 2.029 54.157 52.037 0.152 0.000 0.623 282 A CB -0.812 18.167 19.000 -0.035 0.000 0.818 282 A HN 0.402 nan 8.150 nan 0.000 0.443 283 T N -0.999 113.805 114.554 0.417 0.000 2.737 283 T HA -0.104 4.271 4.350 0.042 0.000 0.265 283 T C 1.656 176.609 174.700 0.422 0.000 1.038 283 T CA 1.518 63.897 62.100 0.465 0.000 1.144 283 T CB -0.397 68.720 68.868 0.416 0.000 0.866 283 T HN 0.449 nan 8.240 nan 0.000 0.434 284 F N 1.452 121.560 119.950 0.263 0.000 2.102 284 F HA -0.083 4.469 4.527 0.042 0.000 0.298 284 F C 2.167 178.044 175.800 0.128 0.000 1.105 284 F CA 1.166 59.301 58.000 0.226 0.000 1.239 284 F CB -0.234 38.931 39.000 0.274 0.000 0.991 284 F HN -0.022 nan 8.300 nan 0.000 0.474 285 M N -0.537 119.227 119.600 0.274 0.000 2.099 285 M HA -0.120 4.385 4.480 0.042 0.000 0.262 285 M C 2.460 178.685 176.300 -0.125 0.000 1.067 285 M CA 1.170 56.468 55.300 -0.002 0.000 1.124 285 M CB -1.627 30.878 32.600 -0.158 0.000 1.353 285 M HN 0.186 nan 8.290 nan 0.000 0.410 286 V N 0.149 119.986 119.914 -0.128 0.000 2.287 286 V HA -0.270 3.875 4.120 0.042 0.000 0.248 286 V C 2.161 178.012 176.094 -0.405 0.000 1.053 286 V CA 1.899 64.026 62.300 -0.289 0.000 1.027 286 V CB -0.443 31.152 31.823 -0.380 0.000 0.646 286 V HN 0.253 nan 8.190 nan 0.000 0.447 287 F N 0.061 119.948 119.950 -0.105 0.000 2.325 287 F HA -0.039 4.513 4.527 0.041 0.000 0.299 287 F C 2.476 178.238 175.800 -0.063 0.000 1.090 287 F CA 1.662 59.557 58.000 -0.175 0.000 1.392 287 F CB -0.639 38.235 39.000 -0.209 0.000 1.053 287 F HN 0.238 nan 8.300 nan 0.000 0.521 288 Q N 0.475 120.248 119.800 -0.046 0.000 2.079 288 Q HA -0.156 4.209 4.340 0.042 0.000 0.200 288 Q C 2.359 178.376 176.000 0.029 0.000 0.974 288 Q CA 1.523 57.273 55.803 -0.089 0.000 0.840 288 Q CB -0.193 28.370 28.738 -0.292 0.000 0.898 288 Q HN 0.339 nan 8.270 nan 0.000 0.430 289 A N 0.970 123.764 122.820 -0.043 0.000 1.877 289 A HA -0.152 4.193 4.320 0.042 0.000 0.216 289 A C 2.070 179.719 177.584 0.109 0.000 1.186 289 A CA 1.257 53.282 52.037 -0.020 0.000 0.620 289 A CB -0.764 18.179 19.000 -0.095 0.000 0.822 289 A HN 0.454 nan 8.150 nan 0.000 0.443 290 L N -0.883 120.403 121.223 0.104 0.000 2.093 290 L HA -0.173 4.192 4.340 0.042 0.000 0.208 290 L C 3.087 180.232 176.870 0.458 0.000 1.085 290 L CA 0.932 55.921 54.840 0.247 0.000 0.755 290 L CB -0.554 41.568 42.059 0.106 0.000 0.904 290 L HN 0.462 nan 8.230 nan 0.000 0.435 291 A N -0.376 122.724 122.820 0.466 0.000 1.877 291 A HA -0.275 4.070 4.320 0.042 0.000 0.216 291 A C 2.207 179.929 177.584 0.229 0.000 1.186 291 A CA 1.755 54.019 52.037 0.379 0.000 0.620 291 A CB -0.512 18.727 19.000 0.398 0.000 0.822 291 A HN 0.358 nan 8.150 nan 0.000 0.443 292 Q N -1.369 118.572 119.800 0.236 0.000 2.096 292 Q HA -0.211 4.154 4.340 0.042 0.000 0.204 292 Q C 1.819 177.926 176.000 0.179 0.000 0.982 292 Q CA 2.310 58.221 55.803 0.180 0.000 0.850 292 Q CB -0.644 28.184 28.738 0.150 0.000 0.901 292 Q HN 0.753 nan 8.270 nan 0.000 0.422 293 Y N 0.358 120.732 120.300 0.123 0.000 2.070 293 Y HA -0.263 4.312 4.550 0.041 0.000 0.280 293 Y C 2.021 177.978 175.900 0.096 0.000 1.148 293 Y CA 2.144 60.322 58.100 0.129 0.000 1.125 293 Y CB -0.328 38.212 38.460 0.133 0.000 0.975 293 Y HN 0.140 nan 8.280 nan 0.000 0.492 294 Q N 0.704 120.521 119.800 0.027 0.000 2.197 294 Q HA -0.243 4.122 4.340 0.042 0.000 0.207 294 Q C 2.194 178.098 176.000 -0.160 0.000 0.984 294 Q CA 2.069 57.807 55.803 -0.108 0.000 0.869 294 Q CB -0.356 28.396 28.738 0.024 0.000 0.906 294 Q HN 0.603 nan 8.270 nan 0.000 0.426 295 K N -0.152 120.197 120.400 -0.084 0.000 2.211 295 K HA -0.087 4.258 4.320 0.042 0.000 0.201 295 K C 0.803 177.355 176.600 -0.079 0.000 1.052 295 K CA 1.021 57.266 56.287 -0.069 0.000 0.973 295 K CB 0.399 32.891 32.500 -0.013 0.000 0.766 295 K HN -0.018 nan 8.250 nan 0.000 0.466 296 D N 0.829 121.184 120.400 -0.074 0.000 2.527 296 D HA 0.090 4.755 4.640 0.042 0.000 0.249 296 D C 0.154 176.315 176.300 -0.231 0.000 1.029 296 D CA 0.685 54.659 54.000 -0.043 0.000 0.951 296 D CB -0.628 40.261 40.800 0.148 0.000 1.093 296 D HN 0.240 nan 8.370 nan 0.000 0.464 297 A N 2.383 125.000 122.820 -0.337 0.000 2.616 297 A HA 0.112 4.457 4.320 0.042 0.000 0.234 297 A C -1.802 175.451 177.584 -0.551 0.000 1.024 297 A CA -0.357 51.327 52.037 -0.588 0.000 0.758 297 A CB -0.707 17.896 19.000 -0.661 0.000 0.939 297 A HN 0.050 nan 8.150 nan 0.000 0.510 298 P HA 0.000 nan 4.420 nan 0.000 0.216 298 P CA 0.000 62.875 63.100 -0.375 0.000 0.800 298 P CB 0.000 31.485 31.700 -0.358 0.000 0.726