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 3ae9_1_A DATA FIRST_RESID 10 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEEDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPASVV DATA SEQUENCE ELENYGMPFS RTEDGKIYQR AFGGQSLKFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GSIHRIRARN DATA SEQUENCE TVVATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTLEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPEQLAVRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV LRHVNGQDQV VPGLYACGEA ACASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALSI AESCRPGDKV PSIKPNAGEE SVMNLDKLRF DATA SEQUENCE ANGTIRTSEL RLSMQKSMQS HAAVFRVGSV LQEGCEKILR LYGDLQHLKT DATA SEQUENCE FDRGMVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDFKERV DATA SEQUENCE DEYDYSKPIQ GQQKKPFQEH WRKHTLSYVD VKTGKVSLEY RPVIDKTLNE DATA SEQUENCE ADCATVPPAI RSY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.646 174.600 0.077 0.000 1.055 10 S CA 0.000 58.271 58.200 0.118 0.000 1.107 10 S CB 0.000 63.259 63.200 0.098 0.000 0.593 11 T N 0.325 114.913 114.554 0.057 0.000 9.639 11 T HA -0.370 1.643 4.350 -3.896 0.000 0.362 11 T C 1.368 176.061 174.700 -0.012 0.000 1.812 11 T CA 2.251 64.363 62.100 0.020 0.000 2.782 11 T CB -0.890 67.982 68.868 0.006 0.000 2.606 11 T HN 0.605 nan 8.240 nan 0.000 1.105 12 Q N 0.355 120.133 119.800 -0.037 0.000 2.134 12 Q HA 0.193 2.195 4.340 -3.896 0.000 0.195 12 Q C 0.179 176.014 176.000 -0.275 0.000 0.958 12 Q CA 0.950 56.628 55.803 -0.207 0.000 0.840 12 Q CB 0.189 28.711 28.738 -0.360 0.000 0.918 12 Q HN 0.731 nan 8.270 nan 0.000 0.467 13 Y N 1.225 121.532 120.300 0.013 0.000 2.323 13 Y HA 0.435 2.648 4.550 -3.895 0.000 0.331 13 Y C -1.922 173.967 175.900 -0.019 0.000 1.092 13 Y CA -2.846 55.251 58.100 -0.005 0.000 1.150 13 Y CB 0.772 39.226 38.460 -0.011 0.000 1.200 13 Y HN 0.140 nan 8.280 nan 0.000 0.472 14 P HA 0.180 nan 4.420 nan 0.000 0.287 14 P C -1.123 176.177 177.300 0.001 0.000 1.294 14 P CA -0.519 62.606 63.100 0.042 0.000 0.776 14 P CB 0.712 32.427 31.700 0.025 0.000 0.889 15 V N 2.134 122.049 119.914 0.001 0.000 2.385 15 V HA 0.403 2.186 4.120 -3.896 0.000 0.269 15 V C -0.056 176.016 176.094 -0.038 0.000 1.043 15 V CA -0.691 61.592 62.300 -0.029 0.000 0.906 15 V CB 1.201 33.021 31.823 -0.004 0.000 0.995 15 V HN 0.195 nan 8.190 nan 0.000 0.467 16 V N 4.766 124.640 119.914 -0.068 0.000 2.313 16 V HA 0.380 2.163 4.120 -3.896 0.000 0.278 16 V C -0.142 175.843 176.094 -0.182 0.000 1.017 16 V CA -0.367 61.898 62.300 -0.058 0.000 0.823 16 V CB 1.014 32.899 31.823 0.104 0.000 1.010 16 V HN 0.879 nan 8.190 nan 0.000 0.443 17 D N 3.951 124.248 120.400 -0.172 0.000 2.277 17 D HA 0.313 2.615 4.640 -3.896 0.000 0.249 17 D C -0.285 175.880 176.300 -0.224 0.000 1.134 17 D CA -0.046 53.870 54.000 -0.141 0.000 0.863 17 D CB 0.912 41.687 40.800 -0.042 0.000 1.143 17 D HN 0.515 nan 8.370 nan 0.000 0.458 18 H N 1.077 120.250 119.070 0.172 0.000 2.529 18 H HA 0.359 2.578 4.556 -3.896 0.000 0.348 18 H C -0.371 175.026 175.328 0.116 0.000 1.152 18 H CA -0.446 55.714 56.048 0.187 0.000 1.202 18 H CB 2.133 32.145 29.762 0.416 0.000 1.562 18 H HN 0.408 nan 8.280 nan 0.000 0.515 19 E N 2.196 122.421 120.200 0.041 0.000 2.224 19 E HA 0.430 2.442 4.350 -3.896 0.000 0.265 19 E C -1.440 174.956 176.600 -0.341 0.000 0.878 19 E CA -0.348 56.020 56.400 -0.052 0.000 0.759 19 E CB 1.179 30.835 29.700 -0.072 0.000 1.164 19 E HN 0.306 nan 8.360 nan 0.000 0.414 20 F N 1.233 121.214 119.950 0.052 0.000 2.726 20 F HA 0.272 2.462 4.527 -3.895 0.000 0.324 20 F C 0.878 176.705 175.800 0.046 0.000 1.140 20 F CA -0.715 57.310 58.000 0.041 0.000 0.964 20 F CB 1.525 40.534 39.000 0.016 0.000 1.399 20 F HN 0.381 nan 8.300 nan 0.000 0.491 21 D N 0.229 120.814 120.400 0.308 0.000 2.262 21 D HA 0.327 2.630 4.640 -3.896 0.000 0.212 21 D C -0.200 176.199 176.300 0.164 0.000 0.964 21 D CA 0.922 55.074 54.000 0.254 0.000 0.875 21 D CB 0.599 41.627 40.800 0.380 0.000 0.996 21 D HN 0.413 nan 8.370 nan 0.000 0.497 22 A N 0.218 123.099 122.820 0.102 0.000 2.488 22 A HA 0.545 2.527 4.320 -3.896 0.000 0.295 22 A C -1.251 176.264 177.584 -0.115 0.000 1.045 22 A CA -0.521 51.481 52.037 -0.059 0.000 0.703 22 A CB 1.682 20.554 19.000 -0.213 0.000 1.271 22 A HN -0.118 nan 8.150 nan 0.000 0.400 23 V N 2.457 122.289 119.914 -0.136 0.000 2.417 23 V HA 0.478 2.260 4.120 -3.896 0.000 0.291 23 V C -0.409 175.578 176.094 -0.179 0.000 1.024 23 V CA -0.515 61.660 62.300 -0.208 0.000 0.861 23 V CB 1.675 33.377 31.823 -0.201 0.000 0.985 23 V HN 0.684 nan 8.190 nan 0.000 0.436 24 V N 5.933 125.726 119.914 -0.202 0.000 2.293 24 V HA 0.291 2.074 4.120 -3.896 0.000 0.275 24 V C 0.030 176.043 176.094 -0.135 0.000 1.021 24 V CA -0.600 61.613 62.300 -0.145 0.000 0.815 24 V CB 1.517 33.263 31.823 -0.129 0.000 1.025 24 V HN 0.611 nan 8.190 nan 0.000 0.448 25 V N 4.723 124.570 119.914 -0.113 0.000 2.387 25 V HA 0.743 2.525 4.120 -3.896 0.000 0.260 25 V C 0.839 176.893 176.094 -0.067 0.000 1.054 25 V CA 0.623 62.860 62.300 -0.106 0.000 0.967 25 V CB 0.281 32.035 31.823 -0.114 0.000 1.036 25 V HN 1.203 nan 8.190 nan 0.000 0.481 26 G N 4.129 112.901 108.800 -0.046 0.000 3.187 26 G HA2 0.354 1.977 3.960 -3.896 0.000 0.682 26 G HA3 0.354 1.977 3.960 -3.896 0.000 0.682 26 G C -0.372 174.538 174.900 0.017 0.000 1.266 26 G CA -0.335 44.758 45.100 -0.011 0.000 0.902 26 G HN 1.347 nan 8.290 nan 0.000 0.589 27 A N 1.571 124.412 122.820 0.036 0.000 2.985 27 A HA 0.809 2.792 4.320 -3.896 0.000 0.303 27 A C 1.285 178.893 177.584 0.040 0.000 1.048 27 A CA 1.057 53.128 52.037 0.056 0.000 1.016 27 A CB -0.146 18.896 19.000 0.069 0.000 1.118 27 A HN 2.044 nan 8.150 nan 0.000 0.529 28 G N -0.063 108.769 108.800 0.054 0.000 2.735 28 G HA2 0.399 2.021 3.960 -3.896 0.000 0.192 28 G HA3 0.399 2.021 3.960 -3.896 0.000 0.192 28 G C 1.136 176.082 174.900 0.076 0.000 1.547 28 G CA 0.373 45.510 45.100 0.062 0.000 1.080 28 G HN 0.560 nan 8.290 nan 0.000 0.569 29 G N -0.224 108.630 108.800 0.090 0.000 2.395 29 G HA2 0.160 1.782 3.960 -3.896 0.000 0.214 29 G HA3 0.160 1.782 3.960 -3.896 0.000 0.214 29 G C 1.967 176.945 174.900 0.130 0.000 1.177 29 G CA 1.714 46.879 45.100 0.108 0.000 0.794 29 G HN 0.834 nan 8.290 nan 0.000 0.532 30 A N 0.887 123.781 122.820 0.124 0.000 1.898 30 A HA 0.206 2.189 4.320 -3.896 0.000 0.216 30 A C 2.679 180.324 177.584 0.102 0.000 1.181 30 A CA 1.999 54.111 52.037 0.126 0.000 0.620 30 A CB -1.033 18.041 19.000 0.124 0.000 0.819 30 A HN 0.494 nan 8.150 nan 0.000 0.442 31 G N -0.327 108.524 108.800 0.085 0.000 2.418 31 G HA2 -0.111 1.511 3.960 -3.896 0.000 0.217 31 G HA3 -0.111 1.511 3.960 -3.896 0.000 0.217 31 G C 1.407 176.363 174.900 0.094 0.000 1.158 31 G CA 1.202 46.340 45.100 0.064 0.000 0.771 31 G HN 0.343 nan 8.290 nan 0.000 0.545 32 L N 0.197 121.507 121.223 0.145 0.000 2.027 32 L HA 0.121 2.124 4.340 -3.896 0.000 0.206 32 L C 2.772 179.852 176.870 0.349 0.000 1.074 32 L CA 1.419 56.397 54.840 0.230 0.000 0.745 32 L CB -0.654 41.526 42.059 0.202 0.000 0.898 32 L HN 0.149 nan 8.230 nan 0.000 0.433 33 R N -0.149 120.530 120.500 0.299 0.000 2.096 33 R HA -0.103 1.900 4.340 -3.896 0.000 0.235 33 R C 2.117 178.403 176.300 -0.024 0.000 1.127 33 R CA 1.606 57.874 56.100 0.280 0.000 0.968 33 R CB -0.584 29.851 30.300 0.224 0.000 0.861 33 R HN 0.350 nan 8.270 nan 0.000 0.440 34 A N -0.082 122.735 122.820 -0.006 0.000 1.897 34 A HA 0.078 2.060 4.320 -3.896 0.000 0.215 34 A C 2.331 179.832 177.584 -0.138 0.000 1.181 34 A CA 1.429 53.403 52.037 -0.105 0.000 0.620 34 A CB -0.949 18.007 19.000 -0.073 0.000 0.821 34 A HN 0.452 nan 8.150 nan 0.000 0.443 35 A N -0.044 122.752 122.820 -0.039 0.000 1.845 35 A HA -0.020 1.963 4.320 -3.896 0.000 0.215 35 A C 2.067 179.642 177.584 -0.015 0.000 1.195 35 A CA 1.733 53.745 52.037 -0.043 0.000 0.616 35 A CB -0.927 18.078 19.000 0.008 0.000 0.832 35 A HN 1.088 nan 8.150 nan 0.000 0.443 36 F N 0.266 120.199 119.950 -0.027 0.000 2.367 36 F HA 0.242 2.432 4.527 -3.896 0.000 0.298 36 F C 1.952 177.658 175.800 -0.156 0.000 1.094 36 F CA 0.890 58.877 58.000 -0.021 0.000 1.409 36 F CB -0.819 38.237 39.000 0.093 0.000 1.064 36 F HN 0.111 nan 8.300 nan 0.000 0.528 37 G N 1.596 109.797 108.800 -0.998 0.000 2.422 37 G HA2 -0.149 1.473 3.960 -3.896 0.000 0.218 37 G HA3 -0.149 1.473 3.960 -3.896 0.000 0.218 37 G C 1.692 176.330 174.900 -0.438 0.000 1.140 37 G CA 1.028 45.626 45.100 -0.837 0.000 0.775 37 G HN 0.466 nan 8.290 nan 0.000 0.545 38 L N 0.569 121.600 121.223 -0.319 0.000 2.056 38 L HA -0.027 1.976 4.340 -3.896 0.000 0.207 38 L C 3.050 179.889 176.870 -0.052 0.000 1.078 38 L CA 1.123 55.848 54.840 -0.192 0.000 0.749 38 L CB -0.136 41.784 42.059 -0.233 0.000 0.901 38 L HN 0.144 nan 8.230 nan 0.000 0.433 39 S N -1.063 114.558 115.700 -0.131 0.000 2.453 39 S HA -0.160 1.972 4.470 -3.896 0.000 0.231 39 S C 1.782 176.178 174.600 -0.340 0.000 1.005 39 S CA 0.655 58.785 58.200 -0.116 0.000 0.949 39 S CB -0.053 63.131 63.200 -0.027 0.000 0.774 39 S HN 0.383 nan 8.310 nan 0.000 0.510 40 E N 1.267 121.122 120.200 -0.575 0.000 2.107 40 E HA -0.065 1.948 4.350 -3.896 0.000 0.191 40 E C 2.023 178.462 176.600 -0.268 0.000 0.982 40 E CA 0.855 56.854 56.400 -0.668 0.000 0.809 40 E CB -0.118 29.206 29.700 -0.627 0.000 0.756 40 E HN 0.502 nan 8.360 nan 0.000 0.459 41 A N 0.051 122.781 122.820 -0.151 0.000 1.970 41 A HA 0.134 2.116 4.320 -3.896 0.000 0.216 41 A C 1.653 179.213 177.584 -0.039 0.000 1.170 41 A CA 1.266 53.287 52.037 -0.026 0.000 0.645 41 A CB -0.106 18.956 19.000 0.104 0.000 0.816 41 A HN 0.439 nan 8.150 nan 0.000 0.447 42 G N -2.406 106.370 108.800 -0.040 0.000 2.189 42 G HA2 -0.063 1.560 3.960 -3.896 0.000 0.113 42 G HA3 -0.063 1.560 3.960 -3.896 0.000 0.113 42 G C -0.297 174.483 174.900 -0.200 0.000 1.038 42 G CA -0.429 44.600 45.100 -0.117 0.000 0.704 42 G HN 0.204 nan 8.290 nan 0.000 0.490 43 F N 0.873 120.780 119.950 -0.072 0.000 2.422 43 F HA 0.436 2.626 4.527 -3.895 0.000 0.333 43 F C 0.965 176.762 175.800 -0.006 0.000 1.095 43 F CA -0.833 57.140 58.000 -0.044 0.000 1.038 43 F CB 1.345 40.303 39.000 -0.069 0.000 1.156 43 F HN 0.081 nan 8.300 nan 0.000 0.483 44 N N 2.246 121.075 118.700 0.214 0.000 2.498 44 N HA 0.035 2.438 4.740 -3.896 0.000 0.277 44 N C -1.071 174.626 175.510 0.311 0.000 1.208 44 N CA -0.047 53.146 53.050 0.239 0.000 1.029 44 N CB 0.184 38.791 38.487 0.200 0.000 1.403 44 N HN 0.549 nan 8.380 nan 0.000 0.500 45 T N 1.730 116.378 114.554 0.158 0.000 2.767 45 T HA 0.467 2.480 4.350 -3.896 0.000 0.284 45 T C -0.142 174.401 174.700 -0.262 0.000 0.973 45 T CA -0.644 61.435 62.100 -0.034 0.000 0.996 45 T CB 1.634 70.454 68.868 -0.080 0.000 0.927 45 T HN 0.440 nan 8.240 nan 0.000 0.456 46 A N 1.898 124.387 122.820 -0.553 0.000 2.287 46 A HA 0.585 2.567 4.320 -3.896 0.000 0.317 46 A C 0.037 177.300 177.584 -0.536 0.000 1.220 46 A CA -0.723 50.828 52.037 -0.809 0.000 0.835 46 A CB 0.459 18.451 19.000 -1.679 0.000 1.180 46 A HN 0.969 nan 8.150 nan 0.000 0.500 47 C N 4.009 123.041 119.300 -0.447 0.000 2.273 47 C HA 0.664 2.786 4.460 -3.896 0.000 0.328 47 C C -0.116 174.771 174.990 -0.171 0.000 1.275 47 C CA -0.190 58.633 59.018 -0.326 0.000 1.704 47 C CB -0.586 26.896 27.740 -0.430 0.000 2.326 47 C HN 0.668 nan 8.230 nan 0.000 0.517 48 V N 5.896 125.698 119.914 -0.187 0.000 2.435 48 V HA 0.763 2.545 4.120 -3.896 0.000 0.290 48 V C 0.324 176.408 176.094 -0.016 0.000 1.030 48 V CA -0.072 62.149 62.300 -0.132 0.000 0.881 48 V CB 1.707 33.384 31.823 -0.243 0.000 0.983 48 V HN 0.951 nan 8.190 nan 0.000 0.445 49 T N 3.185 117.785 114.554 0.077 0.000 3.097 49 T HA 0.316 2.329 4.350 -3.896 0.000 0.332 49 T C 0.460 175.251 174.700 0.150 0.000 1.269 49 T CA -0.474 61.679 62.100 0.089 0.000 1.076 49 T CB 1.580 70.499 68.868 0.085 0.000 1.209 49 T HN 0.863 nan 8.240 nan 0.000 0.474 50 K N 3.779 124.254 120.400 0.125 0.000 2.305 50 K HA 0.303 2.286 4.320 -3.896 0.000 0.199 50 K C 0.508 177.210 176.600 0.170 0.000 1.047 50 K CA 0.214 56.601 56.287 0.167 0.000 0.976 50 K CB 0.190 32.821 32.500 0.218 0.000 0.765 50 K HN 0.424 nan 8.250 nan 0.000 0.474 51 L N 0.606 121.924 121.223 0.159 0.000 2.335 51 L HA 0.383 2.385 4.340 -3.896 0.000 0.268 51 L C -0.287 176.696 176.870 0.188 0.000 1.016 51 L CA -1.527 53.423 54.840 0.184 0.000 0.805 51 L CB 0.856 43.008 42.059 0.154 0.000 1.311 51 L HN -0.059 nan 8.230 nan 0.000 0.456 52 F N 2.188 122.170 119.950 0.053 0.000 2.456 52 F HA 0.240 2.430 4.527 -3.896 0.000 0.358 52 F C -1.519 174.219 175.800 -0.104 0.000 1.095 52 F CA -1.617 56.365 58.000 -0.029 0.000 1.216 52 F CB 0.910 39.875 39.000 -0.057 0.000 1.125 52 F HN 0.266 nan 8.300 nan 0.000 0.549 53 P HA -0.230 nan 4.420 nan 0.000 0.219 53 P C 1.447 178.458 177.300 -0.481 0.000 1.153 53 P CA 2.297 65.013 63.100 -0.640 0.000 0.865 53 P CB -0.022 31.115 31.700 -0.938 0.000 0.788 54 T N -0.918 113.314 114.554 -0.537 0.000 2.857 54 T HA -0.068 1.945 4.350 -3.896 0.000 0.266 54 T C 1.573 176.299 174.700 0.044 0.000 1.048 54 T CA 0.922 62.902 62.100 -0.200 0.000 1.139 54 T CB -0.327 68.491 68.868 -0.084 0.000 0.874 54 T HN 0.087 nan 8.240 nan 0.000 0.455 55 R N 1.873 122.448 120.500 0.124 0.000 2.280 55 R HA 0.196 2.199 4.340 -3.896 0.000 0.207 55 R C 1.097 177.472 176.300 0.125 0.000 1.043 55 R CA 0.032 56.221 56.100 0.148 0.000 1.006 55 R CB -0.866 29.543 30.300 0.182 0.000 0.885 55 R HN 0.267 nan 8.270 nan 0.000 0.467 56 S N 1.222 116.971 115.700 0.082 0.000 2.559 56 S HA -0.094 2.039 4.470 -3.896 0.000 0.282 56 S C 1.086 175.765 174.600 0.133 0.000 1.336 56 S CA -0.111 58.147 58.200 0.096 0.000 1.037 56 S CB 0.471 63.702 63.200 0.051 0.000 0.853 56 S HN 0.414 nan 8.310 nan 0.000 0.523 57 H N 1.880 120.982 119.070 0.054 0.000 2.561 57 H HA -0.044 2.174 4.556 -3.896 0.000 0.278 57 H C 1.799 177.160 175.328 0.055 0.000 1.014 57 H CA 1.672 57.751 56.048 0.050 0.000 1.211 57 H CB -0.455 29.324 29.762 0.027 0.000 1.365 57 H HN 0.701 nan 8.280 nan 0.000 0.594 58 T N -1.882 112.688 114.554 0.027 0.000 3.007 58 T HA -0.141 1.871 4.350 -3.896 0.000 0.270 58 T C 2.133 176.821 174.700 -0.021 0.000 1.107 58 T CA 0.993 63.089 62.100 -0.007 0.000 1.118 58 T CB -0.814 68.083 68.868 0.049 0.000 0.889 58 T HN 0.323 nan 8.240 nan 0.000 0.506 59 V N 0.146 120.065 119.914 0.009 0.000 2.626 59 V HA 0.119 1.901 4.120 -3.896 0.000 0.252 59 V C 2.832 178.931 176.094 0.008 0.000 1.067 59 V CA 0.999 63.350 62.300 0.084 0.000 1.081 59 V CB -1.642 30.286 31.823 0.176 0.000 0.686 59 V HN 0.492 nan 8.190 nan 0.000 0.468 60 A N 0.856 123.588 122.820 -0.146 0.000 2.121 60 A HA 0.417 2.400 4.320 -3.896 0.000 0.218 60 A C 1.616 179.131 177.584 -0.116 0.000 1.154 60 A CA 0.831 52.758 52.037 -0.184 0.000 0.679 60 A CB -0.847 17.900 19.000 -0.422 0.000 0.795 60 A HN 1.027 nan 8.150 nan 0.000 0.458 61 A N -0.547 122.220 122.820 -0.090 0.000 2.524 61 A HA 0.373 2.355 4.320 -3.896 0.000 0.250 61 A C 0.696 178.284 177.584 0.008 0.000 1.078 61 A CA 0.361 52.383 52.037 -0.024 0.000 0.761 61 A CB 0.132 19.129 19.000 -0.004 0.000 1.012 61 A HN 0.581 nan 8.150 nan 0.000 0.500 62 Q N 1.980 121.794 119.800 0.023 0.000 2.384 62 Q HA 0.125 2.127 4.340 -3.896 0.000 0.264 62 Q C 1.937 177.983 176.000 0.077 0.000 0.825 62 Q CA 0.549 56.376 55.803 0.040 0.000 0.984 62 Q CB 0.483 29.240 28.738 0.031 0.000 1.183 62 Q HN 0.878 nan 8.270 nan 0.000 0.537 63 G N 0.653 109.518 108.800 0.108 0.000 2.616 63 G HA2 0.286 1.909 3.960 -3.896 0.000 0.215 63 G HA3 0.286 1.909 3.960 -3.896 0.000 0.215 63 G C 0.559 175.456 174.900 -0.006 0.000 1.284 63 G CA 0.849 46.060 45.100 0.185 0.000 0.823 63 G HN 0.454 nan 8.290 nan 0.000 0.569 64 G N -1.713 107.000 108.800 -0.146 0.000 2.325 64 G HA2 0.384 2.006 3.960 -3.896 0.000 0.295 64 G HA3 0.384 2.006 3.960 -3.896 0.000 0.295 64 G C -1.994 172.822 174.900 -0.141 0.000 1.274 64 G CA -0.268 44.748 45.100 -0.140 0.000 0.857 64 G HN 0.577 nan 8.290 nan 0.000 0.499 65 I N 1.591 122.114 120.570 -0.078 0.000 2.500 65 I HA 0.362 2.194 4.170 -3.896 0.000 0.286 65 I C -1.135 174.929 176.117 -0.088 0.000 1.063 65 I CA -0.858 60.421 61.300 -0.035 0.000 1.062 65 I CB 1.425 39.473 38.000 0.080 0.000 1.223 65 I HN 0.400 nan 8.210 nan 0.000 0.435 66 N N 6.395 125.023 118.700 -0.120 0.000 2.475 66 N HA 0.513 2.915 4.740 -3.896 0.000 0.267 66 N C -0.388 175.003 175.510 -0.199 0.000 1.169 66 N CA 0.066 52.990 53.050 -0.210 0.000 0.947 66 N CB 1.521 39.848 38.487 -0.267 0.000 1.061 66 N HN 0.643 nan 8.380 nan 0.000 0.466 67 A N 0.861 123.543 122.820 -0.229 0.000 2.488 67 A HA 0.687 2.670 4.320 -3.896 0.000 0.298 67 A C -0.368 177.123 177.584 -0.155 0.000 1.044 67 A CA -0.782 51.154 52.037 -0.168 0.000 0.693 67 A CB 1.144 20.056 19.000 -0.147 0.000 1.272 67 A HN 0.542 nan 8.150 nan 0.000 0.402 68 A N 2.246 125.020 122.820 -0.076 0.000 3.197 68 A HA 0.475 2.457 4.320 -3.896 0.000 0.263 68 A C 0.866 178.434 177.584 -0.026 0.000 1.524 68 A CA -0.180 51.846 52.037 -0.018 0.000 1.176 68 A CB -1.059 18.000 19.000 0.098 0.000 1.096 68 A HN 0.828 nan 8.150 nan 0.000 0.655 69 L N 0.139 121.321 121.223 -0.069 0.000 2.141 69 L HA 0.056 2.058 4.340 -3.896 0.000 0.209 69 L C 1.634 178.472 176.870 -0.054 0.000 1.094 69 L CA 0.959 55.754 54.840 -0.075 0.000 0.763 69 L CB -0.337 41.652 42.059 -0.115 0.000 0.908 69 L HN 0.720 nan 8.230 nan 0.000 0.437 70 G N 0.641 109.416 108.800 -0.042 0.000 2.473 70 G HA2 -0.239 1.384 3.960 -3.896 0.000 0.289 70 G HA3 -0.239 1.384 3.960 -3.896 0.000 0.289 70 G C 0.163 175.041 174.900 -0.036 0.000 1.084 70 G CA 0.306 45.393 45.100 -0.022 0.000 1.215 70 G HN 0.294 nan 8.290 nan 0.000 0.527 71 N N -0.093 118.574 118.700 -0.054 0.000 2.482 71 N HA 0.152 2.554 4.740 -3.896 0.000 0.179 71 N C 2.437 177.906 175.510 -0.068 0.000 1.039 71 N CA 0.979 53.992 53.050 -0.062 0.000 0.884 71 N CB -0.130 38.308 38.487 -0.081 0.000 1.113 71 N HN 0.440 nan 8.380 nan 0.000 0.440 72 M N 0.706 120.252 119.600 -0.089 0.000 2.102 72 M HA 0.075 2.218 4.480 -3.896 0.000 0.259 72 M C 0.583 176.829 176.300 -0.090 0.000 1.083 72 M CA 1.246 56.472 55.300 -0.124 0.000 1.141 72 M CB -0.847 31.638 32.600 -0.191 0.000 1.318 72 M HN 0.116 nan 8.290 nan 0.000 0.421 73 E N 1.642 121.811 120.200 -0.050 0.000 2.299 73 E HA 0.349 2.361 4.350 -3.896 0.000 0.265 73 E C -1.103 175.516 176.600 0.032 0.000 0.911 73 E CA -0.642 55.753 56.400 -0.009 0.000 0.789 73 E CB 1.142 30.845 29.700 0.004 0.000 1.246 73 E HN 0.279 nan 8.360 nan 0.000 0.427 74 E N 1.365 121.592 120.200 0.045 0.000 2.417 74 E HA 0.244 2.256 4.350 -3.896 0.000 0.261 74 E C -0.824 175.844 176.600 0.113 0.000 1.000 74 E CA -0.020 56.412 56.400 0.052 0.000 0.919 74 E CB 0.501 30.225 29.700 0.040 0.000 0.955 74 E HN 0.385 nan 8.360 nan 0.000 0.455 75 D N 1.806 122.237 120.400 0.052 0.000 2.527 75 D HA 0.340 2.643 4.640 -3.896 0.000 0.233 75 D C -1.537 174.642 176.300 -0.203 0.000 1.063 75 D CA -0.891 53.142 54.000 0.056 0.000 0.880 75 D CB 1.400 42.250 40.800 0.084 0.000 1.457 75 D HN 0.520 nan 8.370 nan 0.000 0.475 76 N N 1.487 119.846 118.700 -0.569 0.000 2.284 76 N HA 0.235 2.638 4.740 -3.896 0.000 0.300 76 N C 0.958 176.168 175.510 -0.500 0.000 1.047 76 N CA -0.897 51.694 53.050 -0.766 0.000 0.821 76 N CB 0.855 38.446 38.487 -1.494 0.000 1.337 76 N HN 0.559 nan 8.380 nan 0.000 0.482 77 W N 3.313 124.438 121.300 -0.291 0.000 2.465 77 W HA 0.017 2.339 4.660 -3.897 0.000 0.268 77 W C 0.441 176.932 176.519 -0.047 0.000 1.242 77 W CA 0.182 57.465 57.345 -0.102 0.000 1.248 77 W CB -0.365 29.046 29.460 -0.081 0.000 1.118 77 W HN 0.508 nan 8.180 nan 0.000 0.587 78 R N -0.442 119.519 120.500 -0.899 0.000 2.189 78 R HA -0.101 1.902 4.340 -3.896 0.000 0.218 78 R C 2.021 178.265 176.300 -0.092 0.000 1.074 78 R CA 1.622 57.306 56.100 -0.692 0.000 0.991 78 R CB -0.531 29.229 30.300 -0.900 0.000 0.883 78 R HN 0.104 nan 8.270 nan 0.000 0.457 79 W N 0.012 121.146 121.300 -0.278 0.000 2.418 79 W HA -0.063 2.259 4.660 -3.897 0.000 0.292 79 W C 2.016 178.594 176.519 0.099 0.000 1.213 79 W CA 0.581 57.770 57.345 -0.259 0.000 1.283 79 W CB -1.126 28.125 29.460 -0.348 0.000 1.119 79 W HN 0.309 nan 8.180 nan 0.000 0.542 80 H N -1.021 118.203 119.070 0.257 0.000 2.457 80 H HA -0.181 2.038 4.556 -3.895 0.000 0.294 80 H C 2.105 177.577 175.328 0.240 0.000 1.064 80 H CA 1.381 57.562 56.048 0.223 0.000 1.330 80 H CB -0.334 29.543 29.762 0.192 0.000 1.395 80 H HN 0.057 nan 8.280 nan 0.000 0.541 81 F N 0.801 120.793 119.950 0.070 0.000 2.084 81 F HA -0.247 1.944 4.527 -3.894 0.000 0.296 81 F C 2.374 178.220 175.800 0.077 0.000 1.111 81 F CA 1.692 59.708 58.000 0.027 0.000 1.224 81 F CB -0.949 38.091 39.000 0.066 0.000 0.991 81 F HN 0.133 nan 8.300 nan 0.000 0.471 82 Y N 1.437 121.801 120.300 0.107 0.000 2.181 82 Y HA -0.236 1.978 4.550 -3.893 0.000 0.288 82 Y C 2.189 178.047 175.900 -0.069 0.000 1.146 82 Y CA 2.153 60.281 58.100 0.045 0.000 1.164 82 Y CB -0.750 37.953 38.460 0.405 0.000 0.982 82 Y HN 0.120 nan 8.280 nan 0.000 0.515 83 D N -0.821 119.614 120.400 0.058 0.000 2.144 83 D HA -0.147 2.155 4.640 -3.896 0.000 0.199 83 D C 2.075 178.291 176.300 -0.139 0.000 0.984 83 D CA 1.961 55.971 54.000 0.016 0.000 0.834 83 D CB -0.418 40.500 40.800 0.196 0.000 0.955 83 D HN 0.404 nan 8.370 nan 0.000 0.465 84 T N 0.523 114.950 114.554 -0.211 0.000 2.737 84 T HA -0.090 1.923 4.350 -3.896 0.000 0.265 84 T C 2.110 176.580 174.700 -0.383 0.000 1.038 84 T CA 0.595 62.546 62.100 -0.248 0.000 1.144 84 T CB -0.391 68.309 68.868 -0.281 0.000 0.866 84 T HN -0.017 nan 8.240 nan 0.000 0.434 85 V N 1.268 120.825 119.914 -0.594 0.000 2.548 85 V HA -0.048 1.734 4.120 -3.896 0.000 0.249 85 V C 2.449 177.894 176.094 -1.082 0.000 1.055 85 V CA 1.672 63.514 62.300 -0.764 0.000 1.065 85 V CB -0.402 30.909 31.823 -0.855 0.000 0.681 85 V HN 0.379 nan 8.190 nan 0.000 0.462 86 K N -0.294 119.487 120.400 -1.032 0.000 2.097 86 K HA -0.077 1.906 4.320 -3.896 0.000 0.205 86 K C 2.014 178.265 176.600 -0.582 0.000 1.050 86 K CA 1.463 57.084 56.287 -1.109 0.000 0.938 86 K CB -0.562 31.450 32.500 -0.814 0.000 0.718 86 K HN 0.562 nan 8.250 nan 0.000 0.442 87 G N 0.319 108.938 108.800 -0.302 0.000 2.443 87 G HA2 -0.216 1.406 3.960 -3.896 0.000 0.219 87 G HA3 -0.216 1.406 3.960 -3.896 0.000 0.219 87 G C 1.366 176.191 174.900 -0.125 0.000 1.131 87 G CA 0.935 45.981 45.100 -0.091 0.000 0.775 87 G HN 0.471 nan 8.290 nan 0.000 0.547 88 S N -0.002 115.546 115.700 -0.252 0.000 2.603 88 S HA -0.003 2.130 4.470 -3.896 0.000 0.229 88 S C 1.090 175.602 174.600 -0.147 0.000 0.972 88 S CA 0.965 59.052 58.200 -0.188 0.000 0.935 88 S CB -0.079 62.982 63.200 -0.232 0.000 0.769 88 S HN 0.287 nan 8.310 nan 0.000 0.536 89 D N 0.656 120.963 120.400 -0.155 0.000 2.837 89 D HA -0.202 2.101 4.640 -3.896 0.000 0.230 89 D C -0.527 175.943 176.300 0.283 0.000 1.152 89 D CA 1.033 55.105 54.000 0.120 0.000 0.736 89 D CB -2.001 38.903 40.800 0.174 0.000 1.084 89 D HN 0.731 nan 8.370 nan 0.000 0.429 90 W N -2.142 119.115 121.300 -0.072 0.000 5.121 90 W HA -0.309 2.009 4.660 -3.903 0.000 0.372 90 W C 1.122 177.606 176.519 -0.059 0.000 1.394 90 W CA 0.556 57.852 57.345 -0.082 0.000 0.885 90 W CB -1.965 27.424 29.460 -0.118 0.000 2.520 90 W HN 0.299 nan 8.180 nan 0.000 1.455 91 L N -0.190 121.056 121.223 0.037 0.000 2.701 91 L HA 0.411 2.413 4.340 -3.896 0.000 0.238 91 L C 1.665 178.548 176.870 0.022 0.000 1.106 91 L CA 1.278 56.107 54.840 -0.020 0.000 0.898 91 L CB 0.121 42.121 42.059 -0.097 0.000 1.188 91 L HN -0.032 nan 8.230 nan 0.000 0.508 92 G N 0.243 109.030 108.800 -0.022 0.000 2.378 92 G HA2 0.127 1.750 3.960 -3.896 0.000 0.255 92 G HA3 0.127 1.750 3.960 -3.896 0.000 0.255 92 G C -0.770 174.162 174.900 0.054 0.000 1.270 92 G CA -0.396 44.702 45.100 -0.003 0.000 0.876 92 G HN 0.117 nan 8.290 nan 0.000 0.521 93 D N 2.293 122.767 120.400 0.124 0.000 2.338 93 D HA 0.057 2.360 4.640 -3.896 0.000 0.255 93 D C 1.377 177.768 176.300 0.151 0.000 1.237 93 D CA 0.235 54.332 54.000 0.162 0.000 0.883 93 D CB 1.517 42.428 40.800 0.186 0.000 1.087 93 D HN 0.502 nan 8.370 nan 0.000 0.485 94 Q N 1.197 121.099 119.800 0.171 0.000 2.437 94 Q HA -0.119 1.884 4.340 -3.896 0.000 0.210 94 Q C 1.251 177.455 176.000 0.339 0.000 0.972 94 Q CA 0.669 56.632 55.803 0.266 0.000 0.903 94 Q CB 0.308 29.238 28.738 0.321 0.000 0.967 94 Q HN 0.511 nan 8.270 nan 0.000 0.486 95 D N 0.143 120.666 120.400 0.205 0.000 2.183 95 D HA -0.119 2.183 4.640 -3.896 0.000 0.203 95 D C 1.614 178.022 176.300 0.180 0.000 0.969 95 D CA 1.219 55.270 54.000 0.085 0.000 0.842 95 D CB -0.122 40.640 40.800 -0.063 0.000 0.957 95 D HN 0.154 nan 8.370 nan 0.000 0.484 96 A N 0.939 123.939 122.820 0.300 0.000 1.898 96 A HA 0.069 2.051 4.320 -3.896 0.000 0.214 96 A C 2.498 180.371 177.584 0.482 0.000 1.183 96 A CA 0.794 53.118 52.037 0.479 0.000 0.622 96 A CB -0.688 18.560 19.000 0.412 0.000 0.824 96 A HN 0.228 nan 8.150 nan 0.000 0.444 97 I N -1.089 119.694 120.570 0.356 0.000 2.286 97 I HA -0.268 1.565 4.170 -3.896 0.000 0.248 97 I C 2.410 178.829 176.117 0.504 0.000 1.115 97 I CA 1.750 63.234 61.300 0.306 0.000 1.392 97 I CB -0.589 37.464 38.000 0.089 0.000 1.065 97 I HN 0.566 nan 8.210 nan 0.000 0.418 98 H N 0.165 119.529 119.070 0.490 0.000 2.290 98 H HA -0.302 1.916 4.556 -3.897 0.000 0.298 98 H C 2.354 177.809 175.328 0.211 0.000 1.087 98 H CA 2.161 58.418 56.048 0.348 0.000 1.291 98 H CB -0.185 29.674 29.762 0.163 0.000 1.369 98 H HN 0.353 nan 8.280 nan 0.000 0.492 99 Y N 0.092 120.568 120.300 0.293 0.000 2.224 99 Y HA -0.265 1.948 4.550 -3.896 0.000 0.289 99 Y C 2.736 178.608 175.900 -0.046 0.000 1.146 99 Y CA 1.770 59.928 58.100 0.096 0.000 1.182 99 Y CB -0.107 38.409 38.460 0.092 0.000 0.983 99 Y HN 0.296 nan 8.280 nan 0.000 0.524 100 M N -0.379 119.215 119.600 -0.010 0.000 2.123 100 M HA -0.167 1.975 4.480 -3.896 0.000 0.263 100 M C 2.098 178.352 176.300 -0.077 0.000 1.069 100 M CA 2.300 57.523 55.300 -0.129 0.000 1.133 100 M CB -0.310 32.349 32.600 0.098 0.000 1.356 100 M HN 0.439 nan 8.290 nan 0.000 0.415 101 T N -2.682 111.900 114.554 0.047 0.000 2.995 101 T HA -0.106 1.906 4.350 -3.896 0.000 0.269 101 T C 1.546 176.244 174.700 -0.004 0.000 1.091 101 T CA 1.356 63.551 62.100 0.158 0.000 1.128 101 T CB -0.331 68.713 68.868 0.294 0.000 0.891 101 T HN 0.558 nan 8.240 nan 0.000 0.492 102 E N 0.585 120.549 120.200 -0.394 0.000 2.122 102 E HA -0.048 1.965 4.350 -3.896 0.000 0.190 102 E C 2.114 178.314 176.600 -0.666 0.000 0.977 102 E CA 0.418 56.194 56.400 -1.040 0.000 0.820 102 E CB 0.027 29.045 29.700 -1.136 0.000 0.770 102 E HN 0.404 nan 8.360 nan 0.000 0.462 103 Q N -0.382 119.103 119.800 -0.525 0.000 2.403 103 Q HA 0.169 2.171 4.340 -3.896 0.000 0.203 103 Q C 1.201 177.029 176.000 -0.287 0.000 0.932 103 Q CA 0.599 56.129 55.803 -0.456 0.000 0.945 103 Q CB 0.280 28.629 28.738 -0.648 0.000 1.045 103 Q HN 0.324 nan 8.270 nan 0.000 0.511 104 A N 1.032 123.729 122.820 -0.204 0.000 1.877 104 A HA -0.054 1.929 4.320 -3.896 0.000 0.216 104 A C -0.568 176.950 177.584 -0.110 0.000 1.186 104 A CA 1.111 53.097 52.037 -0.085 0.000 0.620 104 A CB -1.318 17.718 19.000 0.059 0.000 0.822 104 A HN 0.365 nan 8.150 nan 0.000 0.443 105 P HA 0.077 nan 4.420 nan 0.000 0.225 105 P C 1.407 178.618 177.300 -0.148 0.000 1.156 105 P CA 1.378 64.397 63.100 -0.134 0.000 0.787 105 P CB 0.027 31.655 31.700 -0.121 0.000 0.802 106 A N -0.689 122.027 122.820 -0.172 0.000 1.930 106 A HA -0.066 1.916 4.320 -3.896 0.000 0.215 106 A C 2.314 179.815 177.584 -0.139 0.000 1.176 106 A CA 1.686 53.626 52.037 -0.161 0.000 0.632 106 A CB -1.269 17.617 19.000 -0.191 0.000 0.819 106 A HN 0.087 nan 8.150 nan 0.000 0.445 107 S N -0.585 115.038 115.700 -0.128 0.000 2.395 107 S HA -0.055 2.078 4.470 -3.896 0.000 0.225 107 S C 1.863 176.426 174.600 -0.061 0.000 1.027 107 S CA 1.182 59.333 58.200 -0.082 0.000 0.965 107 S CB -0.182 62.983 63.200 -0.058 0.000 0.812 107 S HN 0.312 nan 8.310 nan 0.000 0.482 108 V N 1.247 121.115 119.914 -0.076 0.000 2.358 108 V HA -0.089 1.693 4.120 -3.896 0.000 0.246 108 V C 2.274 178.294 176.094 -0.124 0.000 1.047 108 V CA 1.191 63.443 62.300 -0.080 0.000 1.035 108 V CB -0.608 31.119 31.823 -0.160 0.000 0.658 108 V HN 0.305 nan 8.190 nan 0.000 0.452 109 V N -0.022 119.802 119.914 -0.150 0.000 2.392 109 V HA -0.301 1.482 4.120 -3.896 0.000 0.249 109 V C 2.516 178.512 176.094 -0.163 0.000 1.059 109 V CA 2.380 64.594 62.300 -0.145 0.000 1.051 109 V CB -0.449 31.295 31.823 -0.131 0.000 0.658 109 V HN 0.663 nan 8.190 nan 0.000 0.455 110 E N -0.293 119.785 120.200 -0.204 0.000 2.110 110 E HA -0.205 1.808 4.350 -3.896 0.000 0.193 110 E C 2.201 178.433 176.600 -0.614 0.000 0.988 110 E CA 1.275 57.438 56.400 -0.396 0.000 0.804 110 E CB -0.055 29.471 29.700 -0.289 0.000 0.745 110 E HN 0.580 nan 8.360 nan 0.000 0.458 111 L N 0.757 121.854 121.223 -0.210 0.000 2.109 111 L HA -0.106 1.896 4.340 -3.896 0.000 0.207 111 L C 2.755 179.704 176.870 0.131 0.000 1.086 111 L CA 0.802 55.655 54.840 0.023 0.000 0.760 111 L CB -0.345 41.840 42.059 0.209 0.000 0.910 111 L HN 0.136 nan 8.230 nan 0.000 0.437 112 E N 0.700 121.007 120.200 0.178 0.000 2.106 112 E HA -0.202 1.810 4.350 -3.896 0.000 0.192 112 E C 1.661 178.321 176.600 0.099 0.000 0.984 112 E CA 1.088 57.636 56.400 0.246 0.000 0.806 112 E CB 0.023 29.810 29.700 0.146 0.000 0.750 112 E HN 0.431 nan 8.360 nan 0.000 0.458 113 N N -0.273 118.413 118.700 -0.023 0.000 2.396 113 N HA -0.101 2.302 4.740 -3.896 0.000 0.180 113 N C 1.508 177.075 175.510 0.095 0.000 1.028 113 N CA 0.678 53.718 53.050 -0.017 0.000 0.893 113 N CB -0.363 38.068 38.487 -0.093 0.000 0.967 113 N HN 0.404 nan 8.380 nan 0.000 0.440 114 Y N -1.014 119.321 120.300 0.059 0.000 2.395 114 Y HA 0.090 2.302 4.550 -3.896 0.000 0.293 114 Y C 1.626 177.523 175.900 -0.004 0.000 1.123 114 Y CA 0.321 58.434 58.100 0.021 0.000 1.227 114 Y CB 0.437 38.902 38.460 0.008 0.000 1.012 114 Y HN 0.173 nan 8.280 nan 0.000 0.552 115 G N -0.141 108.759 108.800 0.167 0.000 2.456 115 G HA2 -0.173 1.450 3.960 -3.896 0.000 0.208 115 G HA3 -0.173 1.450 3.960 -3.896 0.000 0.208 115 G C -0.123 174.800 174.900 0.038 0.000 1.004 115 G CA -0.603 44.546 45.100 0.082 0.000 0.791 115 G HN 0.116 nan 8.290 nan 0.000 0.537 116 M N 3.013 122.636 119.600 0.038 0.000 2.251 116 M HA 0.354 2.497 4.480 -3.896 0.000 0.346 116 M C -1.767 174.443 176.300 -0.150 0.000 1.499 116 M CA -1.488 53.735 55.300 -0.128 0.000 1.128 116 M CB 0.711 33.161 32.600 -0.250 0.000 1.809 116 M HN -0.052 nan 8.290 nan 0.000 0.464 117 P HA 0.080 nan 4.420 nan 0.000 0.230 117 P C -1.027 176.221 177.300 -0.087 0.000 1.791 117 P CA 0.045 63.100 63.100 -0.076 0.000 1.020 117 P CB -0.804 30.858 31.700 -0.063 0.000 1.977 118 F N 0.640 120.602 119.950 0.021 0.000 2.563 118 F HA 0.010 2.199 4.527 -3.896 0.000 0.363 118 F C 1.598 177.418 175.800 0.032 0.000 1.123 118 F CA 0.716 58.734 58.000 0.030 0.000 1.307 118 F CB 0.171 39.190 39.000 0.032 0.000 1.115 118 F HN 0.084 nan 8.300 nan 0.000 0.592 119 S N 3.896 119.748 115.700 0.252 0.000 2.573 119 S HA 0.374 2.506 4.470 -3.896 0.000 0.277 119 S C 0.080 174.788 174.600 0.181 0.000 1.346 119 S CA -0.709 57.572 58.200 0.135 0.000 1.034 119 S CB 0.500 63.730 63.200 0.050 0.000 0.879 119 S HN 0.350 nan 8.310 nan 0.000 0.528 120 R N 0.954 121.511 120.500 0.096 0.000 2.807 120 R HA 0.571 2.574 4.340 -3.896 0.000 0.276 120 R C -0.079 176.295 176.300 0.124 0.000 0.979 120 R CA -0.680 55.492 56.100 0.119 0.000 0.928 120 R CB 1.193 31.538 30.300 0.075 0.000 1.191 120 R HN 0.768 nan 8.270 nan 0.000 0.471 121 T N -1.981 112.664 114.554 0.151 0.000 2.893 121 T HA 0.172 2.185 4.350 -3.896 0.000 0.279 121 T C 1.091 175.835 174.700 0.072 0.000 0.991 121 T CA -0.706 61.480 62.100 0.143 0.000 0.950 121 T CB 1.072 70.031 68.868 0.151 0.000 1.223 121 T HN 0.477 nan 8.240 nan 0.000 0.585 122 E N 0.287 120.522 120.200 0.058 0.000 2.204 122 E HA -0.140 1.873 4.350 -3.896 0.000 0.195 122 E C 1.391 178.008 176.600 0.027 0.000 0.990 122 E CA 1.251 57.671 56.400 0.035 0.000 0.821 122 E CB -0.495 29.222 29.700 0.028 0.000 0.750 122 E HN 0.570 nan 8.360 nan 0.000 0.477 123 D N -1.205 119.212 120.400 0.029 0.000 2.277 123 D HA 0.002 2.305 4.640 -3.896 0.000 0.208 123 D C 1.224 177.535 176.300 0.018 0.000 0.962 123 D CA 1.166 55.177 54.000 0.018 0.000 0.865 123 D CB 0.221 41.028 40.800 0.011 0.000 0.939 123 D HN 0.373 nan 8.370 nan 0.000 0.510 124 G N 1.030 109.848 108.800 0.029 0.000 2.157 124 G HA2 -0.274 1.348 3.960 -3.896 0.000 0.239 124 G HA3 -0.274 1.348 3.960 -3.896 0.000 0.239 124 G C 0.397 175.314 174.900 0.029 0.000 0.982 124 G CA 0.129 45.246 45.100 0.029 0.000 0.650 124 G HN 0.297 nan 8.290 nan 0.000 0.527 125 K N -0.398 120.016 120.400 0.024 0.000 2.148 125 K HA 0.656 2.639 4.320 -3.896 0.000 0.239 125 K C 0.892 177.505 176.600 0.022 0.000 1.018 125 K CA -0.964 55.325 56.287 0.004 0.000 0.923 125 K CB 1.059 33.548 32.500 -0.019 0.000 1.117 125 K HN 0.176 nan 8.250 nan 0.000 0.477 126 I N 1.912 122.460 120.570 -0.036 0.000 2.683 126 I HA -0.126 1.706 4.170 -3.896 0.000 0.286 126 I C -0.012 176.120 176.117 0.026 0.000 1.175 126 I CA 0.161 61.432 61.300 -0.049 0.000 1.429 126 I CB -0.052 37.753 38.000 -0.326 0.000 1.371 126 I HN 0.423 nan 8.210 nan 0.000 0.569 127 Y N 7.407 127.709 120.300 0.004 0.000 2.480 127 Y HA 0.138 2.351 4.550 -3.896 0.000 0.341 127 Y C 0.207 176.119 175.900 0.020 0.000 1.031 127 Y CA -0.047 58.067 58.100 0.024 0.000 1.295 127 Y CB 0.220 38.714 38.460 0.056 0.000 1.162 127 Y HN 0.519 nan 8.280 nan 0.000 0.523 128 Q N 4.712 124.293 119.800 -0.365 0.000 2.205 128 Q HA 0.562 2.565 4.340 -3.896 0.000 0.249 128 Q C -0.867 174.893 176.000 -0.400 0.000 0.948 128 Q CA -1.166 54.474 55.803 -0.273 0.000 0.895 128 Q CB 2.007 30.641 28.738 -0.173 0.000 1.249 128 Q HN 0.586 nan 8.270 nan 0.000 0.458 129 R N -0.224 120.200 120.500 -0.127 0.000 2.771 129 R HA 0.595 2.598 4.340 -3.896 0.000 0.274 129 R C -1.653 174.690 176.300 0.072 0.000 0.987 129 R CA -0.401 55.709 56.100 0.018 0.000 0.908 129 R CB 1.662 32.059 30.300 0.162 0.000 1.213 129 R HN 0.750 nan 8.270 nan 0.000 0.468 130 A N 2.648 125.489 122.820 0.035 0.000 2.498 130 A HA 0.448 2.431 4.320 -3.896 0.000 0.239 130 A C -0.936 176.720 177.584 0.121 0.000 1.068 130 A CA 0.579 52.501 52.037 -0.193 0.000 0.766 130 A CB -0.179 18.605 19.000 -0.361 0.000 1.003 130 A HN 0.544 nan 8.150 nan 0.000 0.497 131 F N -0.167 119.686 119.950 -0.163 0.000 2.645 131 F HA 0.542 2.731 4.527 -3.897 0.000 0.310 131 F C 0.805 176.533 175.800 -0.120 0.000 1.102 131 F CA -0.279 57.660 58.000 -0.102 0.000 0.952 131 F CB 1.824 40.782 39.000 -0.071 0.000 1.326 131 F HN 0.792 nan 8.300 nan 0.000 0.456 132 G N 0.834 109.499 108.800 -0.226 0.000 2.343 132 G HA2 0.420 2.043 3.960 -3.896 0.000 0.254 132 G HA3 0.420 2.043 3.960 -3.896 0.000 0.254 132 G C 0.719 175.528 174.900 -0.152 0.000 1.277 132 G CA 0.539 45.512 45.100 -0.211 0.000 0.909 132 G HN 1.528 nan 8.290 nan 0.000 0.502 133 G N 1.416 110.028 108.800 -0.314 0.000 2.232 133 G HA2 -0.224 1.399 3.960 -3.896 0.000 0.226 133 G HA3 -0.224 1.399 3.960 -3.896 0.000 0.226 133 G C 0.404 175.164 174.900 -0.234 0.000 0.996 133 G CA 0.261 45.095 45.100 -0.443 0.000 0.626 133 G HN 0.819 nan 8.290 nan 0.000 0.509 134 Q N 0.682 120.436 119.800 -0.077 0.000 2.222 134 Q HA 0.652 2.655 4.340 -3.896 0.000 0.252 134 Q C -0.032 175.998 176.000 0.048 0.000 0.926 134 Q CA 0.247 56.077 55.803 0.046 0.000 0.899 134 Q CB 1.733 30.510 28.738 0.065 0.000 1.250 134 Q HN 0.691 nan 8.270 nan 0.000 0.441 135 S N 0.914 116.677 115.700 0.105 0.000 2.550 135 S HA 0.591 2.724 4.470 -3.896 0.000 0.270 135 S C -0.988 173.580 174.600 -0.054 0.000 1.145 135 S CA -0.942 57.291 58.200 0.054 0.000 0.852 135 S CB 0.773 64.059 63.200 0.145 0.000 1.119 135 S HN 0.457 nan 8.310 nan 0.000 0.465 136 L N 1.735 122.831 121.223 -0.211 0.000 2.399 136 L HA 0.564 2.567 4.340 -3.896 0.000 0.265 136 L C 0.387 176.688 176.870 -0.949 0.000 1.089 136 L CA -0.950 53.532 54.840 -0.598 0.000 0.802 136 L CB 0.492 42.262 42.059 -0.480 0.000 1.180 136 L HN 0.959 nan 8.230 nan 0.000 0.454 137 K N 2.271 121.438 120.400 -2.056 0.000 3.077 137 K HA -0.243 1.740 4.320 -3.896 0.000 0.264 137 K C -0.661 175.538 176.600 -0.668 0.000 1.008 137 K CA 0.448 55.871 56.287 -1.440 0.000 0.740 137 K CB -1.532 30.578 32.500 -0.649 0.000 1.273 137 K HN 0.534 nan 8.250 nan 0.000 0.477 138 F N -1.308 118.239 119.950 -0.672 0.000 3.039 138 F HA -0.252 1.937 4.527 -3.897 0.000 0.287 138 F C 1.183 176.686 175.800 -0.494 0.000 0.956 138 F CA 1.222 58.865 58.000 -0.595 0.000 0.971 138 F CB -2.066 36.554 39.000 -0.633 0.000 0.943 138 F HN 0.522 nan 8.300 nan 0.000 0.766 139 G N -0.568 108.201 108.800 -0.053 0.000 2.160 139 G HA2 -0.321 1.302 3.960 -3.896 0.000 0.244 139 G HA3 -0.321 1.302 3.960 -3.896 0.000 0.244 139 G C 0.985 175.890 174.900 0.009 0.000 1.022 139 G CA 0.462 45.627 45.100 0.108 0.000 0.741 139 G HN 0.465 nan 8.290 nan 0.000 0.508 140 K N -0.849 119.498 120.400 -0.089 0.000 2.462 140 K HA 0.171 2.154 4.320 -3.896 0.000 0.201 140 K C 1.888 178.426 176.600 -0.102 0.000 1.268 140 K CA 0.696 56.937 56.287 -0.077 0.000 0.933 140 K CB 0.617 33.072 32.500 -0.075 0.000 1.162 140 K HN 0.408 nan 8.250 nan 0.000 0.527 141 G N 1.313 109.999 108.800 -0.189 0.000 3.782 141 G HA2 0.407 2.030 3.960 -3.896 0.000 0.288 141 G HA3 0.407 2.030 3.960 -3.896 0.000 0.288 141 G C 0.625 175.449 174.900 -0.127 0.000 1.300 141 G CA 0.378 45.366 45.100 -0.186 0.000 1.261 141 G HN 0.360 nan 8.290 nan 0.000 0.591 142 G N 0.189 108.950 108.800 -0.066 0.000 2.512 142 G HA2 -0.206 1.417 3.960 -3.896 0.000 0.254 142 G HA3 -0.206 1.417 3.960 -3.896 0.000 0.254 142 G C 0.002 174.893 174.900 -0.016 0.000 1.199 142 G CA 0.168 45.255 45.100 -0.022 0.000 0.941 142 G HN 0.864 nan 8.290 nan 0.000 0.569 143 Q N 0.758 120.560 119.800 0.003 0.000 2.243 143 Q HA 0.698 2.701 4.340 -3.896 0.000 0.252 143 Q C 0.219 176.204 176.000 -0.026 0.000 0.909 143 Q CA 0.590 56.375 55.803 -0.030 0.000 0.922 143 Q CB 1.230 29.938 28.738 -0.050 0.000 1.215 143 Q HN 1.653 nan 8.270 nan 0.000 0.427 144 A N 3.859 126.630 122.820 -0.083 0.000 2.305 144 A HA 0.553 2.535 4.320 -3.896 0.000 0.322 144 A C -1.345 176.140 177.584 -0.165 0.000 1.187 144 A CA -0.544 51.480 52.037 -0.022 0.000 0.825 144 A CB 0.402 19.419 19.000 0.028 0.000 1.164 144 A HN 0.907 nan 8.150 nan 0.000 0.498 145 H N 1.262 120.330 119.070 -0.004 0.000 2.725 145 H HA 0.487 2.706 4.556 -3.895 0.000 0.283 145 H C 0.526 175.814 175.328 -0.067 0.000 1.110 145 H CA -0.311 55.715 56.048 -0.037 0.000 1.289 145 H CB 0.634 30.355 29.762 -0.068 0.000 1.400 145 H HN 0.690 nan 8.280 nan 0.000 0.493 146 R N 0.648 121.138 120.500 -0.018 0.000 2.534 146 R HA 0.258 2.260 4.340 -3.896 0.000 0.438 146 R C -0.833 175.374 176.300 -0.154 0.000 0.913 146 R CA -0.298 55.749 56.100 -0.087 0.000 1.130 146 R CB -0.502 29.738 30.300 -0.101 0.000 1.611 146 R HN 0.362 nan 8.270 nan 0.000 0.571 147 C N 2.844 122.056 119.300 -0.146 0.000 2.168 147 C HA 0.509 2.632 4.460 -3.896 0.000 0.333 147 C C 0.641 175.556 174.990 -0.125 0.000 1.106 147 C CA -0.556 58.331 59.018 -0.218 0.000 1.574 147 C CB -1.221 26.296 27.740 -0.371 0.000 2.055 147 C HN 0.721 nan 8.230 nan 0.000 0.473 148 C N 5.272 124.513 119.300 -0.099 0.000 2.632 148 C HA 0.530 2.653 4.460 -3.896 0.000 0.415 148 C C 0.806 175.916 174.990 0.199 0.000 1.332 148 C CA -0.525 58.492 59.018 -0.002 0.000 1.874 148 C CB -2.150 25.492 27.740 -0.165 0.000 2.596 148 C HN 0.984 nan 8.230 nan 0.000 0.590 149 C N 1.405 120.910 119.300 0.341 0.000 2.880 149 C HA 0.679 2.802 4.460 -3.896 0.000 0.320 149 C C -0.527 174.629 174.990 0.276 0.000 1.176 149 C CA -0.704 58.483 59.018 0.282 0.000 1.390 149 C CB 0.190 28.040 27.740 0.183 0.000 1.846 149 C HN 0.615 nan 8.230 nan 0.000 0.478 150 V N 3.923 123.873 119.914 0.059 0.000 2.096 150 V HA 0.565 2.348 4.120 -3.896 0.000 0.259 150 V C 1.302 177.399 176.094 0.005 0.000 1.420 150 V CA 1.538 63.818 62.300 -0.034 0.000 1.336 150 V CB -1.036 30.668 31.823 -0.199 0.000 1.394 150 V HN 2.080 nan 8.190 nan 0.000 0.494 151 A N 3.736 126.576 122.820 0.034 0.000 5.479 151 A HA -0.307 1.675 4.320 -3.896 0.000 0.301 151 A C 1.126 178.733 177.584 0.039 0.000 1.961 151 A CA 1.537 53.583 52.037 0.014 0.000 0.716 151 A CB -1.487 17.505 19.000 -0.013 0.000 1.266 151 A HN 0.599 nan 8.150 nan 0.000 0.372 152 D N 0.059 120.473 120.400 0.023 0.000 2.369 152 D HA 0.283 2.586 4.640 -3.896 0.000 0.211 152 D C 1.066 177.378 176.300 0.020 0.000 1.077 152 D CA 0.319 54.338 54.000 0.032 0.000 0.842 152 D CB 0.071 40.886 40.800 0.025 0.000 0.947 152 D HN 0.419 nan 8.370 nan 0.000 0.509 153 R N -0.165 120.344 120.500 0.015 0.000 3.311 153 R HA 0.152 2.155 4.340 -3.896 0.000 0.332 153 R C 1.319 177.654 176.300 0.058 0.000 1.317 153 R CA 0.013 56.136 56.100 0.039 0.000 1.192 153 R CB 0.397 30.709 30.300 0.021 0.000 1.454 153 R HN -0.092 nan 8.270 nan 0.000 0.605 154 T N -1.191 113.375 114.554 0.021 0.000 2.812 154 T HA -0.069 1.943 4.350 -3.896 0.000 0.264 154 T C 1.908 176.596 174.700 -0.021 0.000 1.042 154 T CA 1.906 63.992 62.100 -0.023 0.000 1.140 154 T CB 0.098 68.971 68.868 0.007 0.000 0.870 154 T HN 0.523 nan 8.240 nan 0.000 0.445 155 G N 0.159 108.971 108.800 0.020 0.000 2.403 155 G HA2 -0.174 1.449 3.960 -3.896 0.000 0.216 155 G HA3 -0.174 1.449 3.960 -3.896 0.000 0.216 155 G C 1.548 176.475 174.900 0.046 0.000 1.154 155 G CA 0.896 46.011 45.100 0.025 0.000 0.784 155 G HN 0.713 nan 8.290 nan 0.000 0.538 156 H N 0.586 119.643 119.070 -0.022 0.000 2.353 156 H HA -0.042 2.176 4.556 -3.896 0.000 0.300 156 H C 2.402 177.732 175.328 0.002 0.000 1.090 156 H CA 1.710 57.755 56.048 -0.003 0.000 1.327 156 H CB -0.252 29.477 29.762 -0.055 0.000 1.383 156 H HN 0.313 nan 8.280 nan 0.000 0.508 157 S N 0.112 115.667 115.700 -0.241 0.000 2.428 157 S HA -0.061 2.072 4.470 -3.896 0.000 0.230 157 S C 2.172 176.674 174.600 -0.163 0.000 1.014 157 S CA 0.655 58.681 58.200 -0.291 0.000 0.957 157 S CB -0.280 62.806 63.200 -0.191 0.000 0.784 157 S HN 0.397 nan 8.310 nan 0.000 0.499 158 L N 1.315 122.475 121.223 -0.105 0.000 2.017 158 L HA 0.069 2.071 4.340 -3.896 0.000 0.208 158 L C 1.984 178.858 176.870 0.008 0.000 1.073 158 L CA 1.657 56.474 54.840 -0.038 0.000 0.745 158 L CB -0.733 41.328 42.059 0.004 0.000 0.894 158 L HN 0.358 nan 8.230 nan 0.000 0.432 159 L N -1.141 120.090 121.223 0.013 0.000 2.141 159 L HA -0.167 1.836 4.340 -3.896 0.000 0.209 159 L C 2.484 179.360 176.870 0.010 0.000 1.094 159 L CA 1.678 56.533 54.840 0.025 0.000 0.763 159 L CB -0.835 41.244 42.059 0.033 0.000 0.908 159 L HN 0.432 nan 8.230 nan 0.000 0.437 160 H N -1.424 117.567 119.070 -0.132 0.000 2.403 160 H HA -0.041 2.178 4.556 -3.896 0.000 0.298 160 H C 1.795 177.097 175.328 -0.043 0.000 1.059 160 H CA 1.815 57.807 56.048 -0.092 0.000 1.363 160 H CB 0.128 29.755 29.762 -0.224 0.000 1.410 160 H HN 0.483 nan 8.280 nan 0.000 0.528 161 T N -1.255 113.322 114.554 0.038 0.000 3.088 161 T HA 0.042 2.055 4.350 -3.896 0.000 0.259 161 T C 2.085 176.748 174.700 -0.061 0.000 1.122 161 T CA 0.151 62.246 62.100 -0.008 0.000 1.095 161 T CB -0.216 68.652 68.868 0.001 0.000 0.930 161 T HN 0.131 nan 8.240 nan 0.000 0.508 162 L N -1.022 120.174 121.223 -0.045 0.000 2.162 162 L HA 0.178 2.181 4.340 -3.896 0.000 0.205 162 L C 2.476 179.237 176.870 -0.182 0.000 1.086 162 L CA 0.870 55.635 54.840 -0.125 0.000 0.778 162 L CB -0.406 41.664 42.059 0.018 0.000 0.928 162 L HN 0.207 nan 8.230 nan 0.000 0.446 163 Y N 0.698 120.871 120.300 -0.212 0.000 2.133 163 Y HA -0.125 2.088 4.550 -3.896 0.000 0.287 163 Y C 2.294 178.047 175.900 -0.246 0.000 1.134 163 Y CA 1.526 59.478 58.100 -0.247 0.000 1.133 163 Y CB -0.784 37.491 38.460 -0.308 0.000 0.987 163 Y HN 0.064 nan 8.280 nan 0.000 0.502 164 G N 0.581 109.205 108.800 -0.293 0.000 2.469 164 G HA2 -0.298 1.325 3.960 -3.896 0.000 0.219 164 G HA3 -0.298 1.325 3.960 -3.896 0.000 0.219 164 G C 1.882 176.551 174.900 -0.385 0.000 1.150 164 G CA 0.875 45.774 45.100 -0.334 0.000 0.763 164 G HN 0.274 nan 8.290 nan 0.000 0.561 165 R N 0.797 121.049 120.500 -0.414 0.000 2.189 165 R HA -0.027 1.975 4.340 -3.896 0.000 0.218 165 R C 2.831 178.793 176.300 -0.563 0.000 1.074 165 R CA 1.352 57.130 56.100 -0.537 0.000 0.991 165 R CB -0.333 29.507 30.300 -0.766 0.000 0.883 165 R HN 0.528 nan 8.270 nan 0.000 0.457 166 S N -0.333 115.072 115.700 -0.492 0.000 2.522 166 S HA -0.006 2.126 4.470 -3.896 0.000 0.227 166 S C 1.643 176.169 174.600 -0.123 0.000 0.986 166 S CA 0.224 58.306 58.200 -0.198 0.000 0.929 166 S CB 0.019 63.200 63.200 -0.031 0.000 0.769 166 S HN 0.100 nan 8.310 nan 0.000 0.529 167 L N 1.322 122.350 121.223 -0.325 0.000 2.552 167 L HA 0.328 2.331 4.340 -3.896 0.000 0.227 167 L C 2.422 179.155 176.870 -0.229 0.000 1.146 167 L CA 0.863 55.546 54.840 -0.261 0.000 0.858 167 L CB -1.360 40.490 42.059 -0.348 0.000 0.969 167 L HN 0.408 nan 8.230 nan 0.000 0.451 168 R N -1.282 119.002 120.500 -0.360 0.000 2.276 168 R HA -0.025 1.978 4.340 -3.896 0.000 0.203 168 R C -0.267 175.668 176.300 -0.608 0.000 1.017 168 R CA 0.423 56.201 56.100 -0.538 0.000 1.010 168 R CB 0.293 30.125 30.300 -0.780 0.000 0.900 168 R HN 0.172 nan 8.270 nan 0.000 0.469 169 Y N -0.641 119.662 120.300 0.006 0.000 2.562 169 Y HA 0.132 2.345 4.550 -3.896 0.000 0.343 169 Y C 0.092 176.021 175.900 0.048 0.000 1.025 169 Y CA -1.570 56.555 58.100 0.042 0.000 1.082 169 Y CB 1.113 39.623 38.460 0.084 0.000 1.264 169 Y HN 0.055 nan 8.280 nan 0.000 0.478 170 D N -0.414 120.115 120.400 0.215 0.000 2.977 170 D HA 0.014 2.317 4.640 -3.896 0.000 0.241 170 D C -0.422 175.950 176.300 0.120 0.000 1.206 170 D CA -0.175 53.907 54.000 0.135 0.000 0.902 170 D CB -1.034 39.829 40.800 0.106 0.000 1.131 170 D HN 0.291 nan 8.370 nan 0.000 0.447 171 T N 0.356 114.982 114.554 0.120 0.000 2.814 171 T HA 0.223 2.235 4.350 -3.896 0.000 0.297 171 T C 0.351 175.002 174.700 -0.082 0.000 0.956 171 T CA -0.414 61.669 62.100 -0.027 0.000 1.123 171 T CB 0.934 69.732 68.868 -0.117 0.000 0.902 171 T HN 0.069 nan 8.240 nan 0.000 0.528 172 S N 2.538 118.156 115.700 -0.137 0.000 2.523 172 S HA 0.369 2.501 4.470 -3.896 0.000 0.275 172 S C -0.749 173.674 174.600 -0.295 0.000 1.281 172 S CA -0.531 57.602 58.200 -0.110 0.000 1.050 172 S CB 0.113 63.321 63.200 0.014 0.000 0.937 172 S HN 0.544 nan 8.310 nan 0.000 0.492 173 Y N 1.264 121.500 120.300 -0.107 0.000 2.364 173 Y HA 0.430 2.642 4.550 -3.896 0.000 0.340 173 Y C -0.470 175.293 175.900 -0.228 0.000 0.975 173 Y CA -0.866 57.192 58.100 -0.069 0.000 1.089 173 Y CB 0.979 39.423 38.460 -0.027 0.000 1.192 173 Y HN 0.575 nan 8.280 nan 0.000 0.454 174 F N 3.081 122.913 119.950 -0.198 0.000 2.387 174 F HA 0.320 2.510 4.527 -3.895 0.000 0.332 174 F C -0.214 175.544 175.800 -0.070 0.000 1.174 174 F CA -0.999 56.703 58.000 -0.496 0.000 1.257 174 F CB 0.042 38.484 39.000 -0.930 0.000 1.569 174 F HN 0.106 nan 8.300 nan 0.000 0.554 175 V N 1.802 121.852 119.914 0.227 0.000 2.529 175 V HA 0.027 1.810 4.120 -3.896 0.000 0.292 175 V C 0.573 176.922 176.094 0.425 0.000 1.028 175 V CA -0.596 61.890 62.300 0.310 0.000 1.074 175 V CB 0.146 32.147 31.823 0.296 0.000 0.958 175 V HN 0.733 nan 8.190 nan 0.000 0.481 176 E N 2.569 122.970 120.200 0.335 0.000 2.287 176 E HA -0.224 1.789 4.350 -3.896 0.000 0.229 176 E C -1.248 175.460 176.600 0.180 0.000 1.194 176 E CA 0.380 56.911 56.400 0.218 0.000 0.704 176 E CB -1.079 28.719 29.700 0.163 0.000 1.216 176 E HN 0.687 nan 8.360 nan 0.000 0.381 177 Y N 0.144 120.499 120.300 0.093 0.000 2.338 177 Y HA 0.352 2.565 4.550 -3.896 0.000 0.328 177 Y C -0.064 175.896 175.900 0.099 0.000 0.965 177 Y CA -1.165 57.000 58.100 0.108 0.000 1.208 177 Y CB 0.850 39.399 38.460 0.148 0.000 1.132 177 Y HN 0.218 nan 8.280 nan 0.000 0.469 178 F N 3.967 123.940 119.950 0.040 0.000 2.438 178 F HA 0.589 2.779 4.527 -3.896 0.000 0.360 178 F C 0.426 176.247 175.800 0.034 0.000 1.118 178 F CA -0.817 57.190 58.000 0.011 0.000 1.164 178 F CB 0.227 39.195 39.000 -0.053 0.000 1.131 178 F HN 0.580 nan 8.300 nan 0.000 0.527 179 A N 7.693 130.253 122.820 -0.433 0.000 2.404 179 A HA 0.344 2.326 4.320 -3.896 0.000 0.273 179 A C 0.503 177.822 177.584 -0.443 0.000 1.144 179 A CA -0.364 51.480 52.037 -0.322 0.000 0.806 179 A CB 0.085 18.924 19.000 -0.269 0.000 1.080 179 A HN 1.042 nan 8.150 nan 0.000 0.509 180 L N 1.624 122.769 121.223 -0.130 0.000 2.056 180 L HA 0.177 2.180 4.340 -3.896 0.000 0.202 180 L C 0.488 177.330 176.870 -0.046 0.000 1.086 180 L CA 0.815 55.649 54.840 -0.010 0.000 0.758 180 L CB -0.075 42.028 42.059 0.073 0.000 0.912 180 L HN 0.587 nan 8.230 nan 0.000 0.446 181 D N -1.416 118.960 120.400 -0.040 0.000 2.570 181 D HA 0.394 2.697 4.640 -3.896 0.000 0.244 181 D C -1.287 174.989 176.300 -0.040 0.000 1.178 181 D CA -0.528 53.450 54.000 -0.035 0.000 0.881 181 D CB 2.824 43.615 40.800 -0.014 0.000 1.453 181 D HN -0.256 nan 8.370 nan 0.000 0.447 182 L N 0.879 122.081 121.223 -0.036 0.000 2.349 182 L HA 0.261 2.264 4.340 -3.896 0.000 0.275 182 L C 0.059 176.916 176.870 -0.022 0.000 1.115 182 L CA -0.037 54.783 54.840 -0.034 0.000 0.820 182 L CB 0.445 42.484 42.059 -0.033 0.000 1.135 182 L HN 0.222 nan 8.230 nan 0.000 0.445 183 L N 4.909 126.121 121.223 -0.019 0.000 2.407 183 L HA 0.265 2.268 4.340 -3.896 0.000 0.282 183 L C -0.116 176.748 176.870 -0.010 0.000 1.110 183 L CA 0.230 55.064 54.840 -0.010 0.000 0.863 183 L CB 0.265 42.322 42.059 -0.003 0.000 1.207 183 L HN 0.588 nan 8.230 nan 0.000 0.454 184 M N 4.009 123.604 119.600 -0.009 0.000 2.395 184 M HA 0.403 2.546 4.480 -3.896 0.000 0.307 184 M C -0.966 175.330 176.300 -0.007 0.000 1.091 184 M CA -0.133 55.161 55.300 -0.010 0.000 0.919 184 M CB 2.012 34.605 32.600 -0.011 0.000 1.662 184 M HN 0.387 nan 8.290 nan 0.000 0.440 185 E N 3.204 123.399 120.200 -0.007 0.000 2.281 185 E HA 0.341 2.354 4.350 -3.896 0.000 0.266 185 E C -0.911 175.684 176.600 -0.008 0.000 0.893 185 E CA -0.316 56.081 56.400 -0.006 0.000 0.798 185 E CB 0.747 30.445 29.700 -0.003 0.000 1.245 185 E HN 0.818 nan 8.360 nan 0.000 0.410 186 N N 3.057 121.751 118.700 -0.009 0.000 2.725 186 N HA -0.209 2.193 4.740 -3.896 0.000 0.251 186 N C 0.393 175.895 175.510 -0.014 0.000 1.031 186 N CA 1.457 54.500 53.050 -0.011 0.000 0.720 186 N CB -1.377 37.104 38.487 -0.010 0.000 0.930 186 N HN 0.982 nan 8.380 nan 0.000 0.543 187 G N -0.597 108.195 108.800 -0.014 0.000 2.221 187 G HA2 -0.304 1.319 3.960 -3.896 0.000 0.265 187 G HA3 -0.304 1.319 3.960 -3.896 0.000 0.265 187 G C -0.328 174.560 174.900 -0.021 0.000 1.041 187 G CA 0.744 45.834 45.100 -0.016 0.000 0.807 187 G HN 0.626 nan 8.290 nan 0.000 0.502 188 E N -1.122 119.067 120.200 -0.019 0.000 2.275 188 E HA 0.393 2.405 4.350 -3.896 0.000 0.270 188 E C -0.319 176.270 176.600 -0.019 0.000 0.882 188 E CA -0.818 55.569 56.400 -0.021 0.000 0.758 188 E CB 2.079 31.770 29.700 -0.015 0.000 1.195 188 E HN 0.249 nan 8.360 nan 0.000 0.419 189 C N 3.314 122.600 119.300 -0.024 0.000 2.585 189 C HA 0.284 2.407 4.460 -3.896 0.000 0.406 189 C C 1.186 176.172 174.990 -0.006 0.000 1.312 189 C CA -0.146 58.861 59.018 -0.019 0.000 1.924 189 C CB -0.541 27.182 27.740 -0.029 0.000 2.578 189 C HN 0.750 nan 8.230 nan 0.000 0.580 190 R N 3.269 123.767 120.500 -0.003 0.000 2.394 190 R HA 0.357 2.360 4.340 -3.896 0.000 0.220 190 R C 0.893 177.199 176.300 0.010 0.000 0.887 190 R CA 0.814 56.919 56.100 0.007 0.000 1.034 190 R CB 0.235 30.540 30.300 0.008 0.000 1.179 190 R HN 1.031 nan 8.270 nan 0.000 0.561 191 G N 0.231 109.029 108.800 -0.004 0.000 2.403 191 G HA2 0.123 1.745 3.960 -3.896 0.000 0.223 191 G HA3 0.123 1.745 3.960 -3.896 0.000 0.223 191 G C -1.595 173.286 174.900 -0.031 0.000 1.287 191 G CA -0.204 44.888 45.100 -0.014 0.000 0.982 191 G HN 0.119 nan 8.290 nan 0.000 0.471 192 V N -1.754 118.135 119.914 -0.041 0.000 2.971 192 V HA 0.837 2.620 4.120 -3.896 0.000 0.309 192 V C -0.396 175.685 176.094 -0.021 0.000 1.130 192 V CA -0.945 61.327 62.300 -0.048 0.000 0.964 192 V CB 1.819 33.589 31.823 -0.087 0.000 1.029 192 V HN 1.297 nan 8.190 nan 0.000 0.427 193 I N 2.974 123.537 120.570 -0.011 0.000 2.336 193 I HA 0.847 2.679 4.170 -3.896 0.000 0.292 193 I C 0.199 176.334 176.117 0.030 0.000 0.991 193 I CA -0.312 60.999 61.300 0.019 0.000 1.227 193 I CB 1.046 39.050 38.000 0.007 0.000 1.366 193 I HN 1.136 nan 8.210 nan 0.000 0.466 194 A N 7.392 130.270 122.820 0.096 0.000 2.414 194 A HA 0.642 2.625 4.320 -3.896 0.000 0.306 194 A C -1.515 176.203 177.584 0.224 0.000 1.054 194 A CA -0.617 51.507 52.037 0.146 0.000 0.724 194 A CB 1.541 20.637 19.000 0.160 0.000 1.267 194 A HN 0.705 nan 8.150 nan 0.000 0.418 195 L N 2.401 123.740 121.223 0.193 0.000 2.292 195 L HA 0.568 2.571 4.340 -3.896 0.000 0.284 195 L C -0.129 176.775 176.870 0.056 0.000 1.065 195 L CA -0.333 54.582 54.840 0.124 0.000 0.806 195 L CB 1.006 43.109 42.059 0.074 0.000 1.175 195 L HN 0.737 nan 8.230 nan 0.000 0.431 196 C N 6.742 126.018 119.300 -0.041 0.000 2.322 196 C HA 0.328 2.451 4.460 -3.896 0.000 0.343 196 C C 1.800 176.588 174.990 -0.336 0.000 1.190 196 C CA -0.655 58.092 59.018 -0.452 0.000 1.704 196 C CB -1.632 25.870 27.740 -0.397 0.000 2.293 196 C HN 0.951 nan 8.230 nan 0.000 0.523 197 I N 3.269 123.584 120.570 -0.426 0.000 2.454 197 I HA -0.114 1.719 4.170 -3.896 0.000 0.254 197 I C 2.543 178.313 176.117 -0.579 0.000 1.156 197 I CA 1.033 61.996 61.300 -0.563 0.000 1.433 197 I CB -0.444 37.021 38.000 -0.892 0.000 1.082 197 I HN 0.708 nan 8.210 nan 0.000 0.432 198 E N 1.213 121.179 120.200 -0.390 0.000 2.153 198 E HA -0.242 1.770 4.350 -3.896 0.000 0.194 198 E C 1.249 177.870 176.600 0.035 0.000 0.988 198 E CA 1.754 58.105 56.400 -0.081 0.000 0.811 198 E CB 0.099 29.805 29.700 0.011 0.000 0.746 198 E HN 0.737 nan 8.360 nan 0.000 0.466 199 D N -3.531 116.859 120.400 -0.017 0.000 2.335 199 D HA 0.061 2.364 4.640 -3.896 0.000 0.284 199 D C 1.275 177.592 176.300 0.029 0.000 1.096 199 D CA 0.987 55.013 54.000 0.044 0.000 0.844 199 D CB 0.604 41.450 40.800 0.077 0.000 1.454 199 D HN 0.188 nan 8.370 nan 0.000 0.526 200 G N 1.115 109.911 108.800 -0.006 0.000 2.184 200 G HA2 -0.214 1.408 3.960 -3.896 0.000 0.206 200 G HA3 -0.214 1.408 3.960 -3.896 0.000 0.206 200 G C 0.359 175.292 174.900 0.055 0.000 0.995 200 G CA 0.328 45.437 45.100 0.014 0.000 0.651 200 G HN 0.787 nan 8.290 nan 0.000 0.511 201 S N -0.333 115.391 115.700 0.040 0.000 2.614 201 S HA 0.746 2.878 4.470 -3.896 0.000 0.265 201 S C 0.132 174.646 174.600 -0.143 0.000 1.303 201 S CA -0.353 57.830 58.200 -0.027 0.000 1.000 201 S CB 1.849 65.014 63.200 -0.060 0.000 0.935 201 S HN 0.585 nan 8.310 nan 0.000 0.551 202 I N 1.874 122.287 120.570 -0.261 0.000 2.406 202 I HA 0.359 2.192 4.170 -3.896 0.000 0.290 202 I C -0.394 175.528 176.117 -0.324 0.000 0.999 202 I CA -0.521 60.658 61.300 -0.201 0.000 1.124 202 I CB 1.340 39.270 38.000 -0.117 0.000 1.289 202 I HN 0.656 nan 8.210 nan 0.000 0.441 203 H N 6.085 125.254 119.070 0.164 0.000 2.529 203 H HA 0.482 2.701 4.556 -3.896 0.000 0.348 203 H C -0.768 174.638 175.328 0.129 0.000 1.079 203 H CA -0.915 55.255 56.048 0.202 0.000 1.198 203 H CB 1.791 31.826 29.762 0.456 0.000 1.521 203 H HN 0.378 nan 8.280 nan 0.000 0.514 204 R N 2.922 123.525 120.500 0.171 0.000 2.215 204 R HA 0.360 2.363 4.340 -3.896 0.000 0.337 204 R C -0.206 176.175 176.300 0.135 0.000 1.010 204 R CA -0.401 55.762 56.100 0.105 0.000 0.871 204 R CB 0.627 30.956 30.300 0.048 0.000 1.134 204 R HN 0.473 nan 8.270 nan 0.000 0.477 205 I N 4.635 125.269 120.570 0.107 0.000 2.361 205 I HA 0.236 2.069 4.170 -3.896 0.000 0.282 205 I C 0.351 176.515 176.117 0.079 0.000 1.075 205 I CA -0.575 60.793 61.300 0.114 0.000 1.205 205 I CB 0.385 38.323 38.000 -0.104 0.000 1.406 205 I HN 0.385 nan 8.210 nan 0.000 0.481 206 R N 5.004 125.575 120.500 0.119 0.000 2.308 206 R HA 0.889 2.891 4.340 -3.896 0.000 0.305 206 R C -0.673 175.695 176.300 0.114 0.000 1.053 206 R CA -0.502 55.649 56.100 0.084 0.000 0.957 206 R CB 1.400 31.738 30.300 0.063 0.000 1.022 206 R HN 0.521 nan 8.270 nan 0.000 0.461 207 A N 2.435 125.302 122.820 0.078 0.000 2.606 207 A HA 0.343 2.325 4.320 -3.896 0.000 0.293 207 A C 0.254 177.874 177.584 0.059 0.000 1.082 207 A CA -0.968 51.123 52.037 0.090 0.000 0.685 207 A CB 1.803 20.857 19.000 0.090 0.000 1.284 207 A HN 0.903 nan 8.150 nan 0.000 0.408 208 R N 0.040 120.581 120.500 0.069 0.000 2.115 208 R HA -0.020 1.982 4.340 -3.896 0.000 0.230 208 R C -0.135 176.195 176.300 0.050 0.000 1.111 208 R CA 1.275 57.410 56.100 0.059 0.000 0.976 208 R CB 0.014 30.362 30.300 0.080 0.000 0.870 208 R HN 0.770 nan 8.270 nan 0.000 0.445 209 N N -0.652 118.067 118.700 0.031 0.000 2.262 209 N HA 0.232 2.634 4.740 -3.896 0.000 0.295 209 N C -1.465 174.054 175.510 0.016 0.000 1.161 209 N CA -0.401 52.676 53.050 0.045 0.000 0.767 209 N CB 2.516 40.990 38.487 -0.020 0.000 1.499 209 N HN -0.140 nan 8.380 nan 0.000 0.476 210 T N 0.293 114.886 114.554 0.065 0.000 2.928 210 T HA 0.309 2.322 4.350 -3.896 0.000 0.296 210 T C -0.434 174.297 174.700 0.052 0.000 1.000 210 T CA -0.492 61.615 62.100 0.012 0.000 0.989 210 T CB 1.734 70.595 68.868 -0.012 0.000 1.005 210 T HN 0.095 nan 8.240 nan 0.000 0.442 211 V N 3.503 123.411 119.914 -0.010 0.000 2.370 211 V HA 0.445 2.228 4.120 -3.896 0.000 0.283 211 V C -0.083 175.999 176.094 -0.019 0.000 1.023 211 V CA -0.742 61.562 62.300 0.007 0.000 0.857 211 V CB 1.645 33.440 31.823 -0.047 0.000 0.985 211 V HN 0.750 nan 8.190 nan 0.000 0.443 212 V N 4.487 124.399 119.914 -0.004 0.000 2.333 212 V HA 0.693 2.475 4.120 -3.896 0.000 0.274 212 V C 0.514 176.602 176.094 -0.011 0.000 1.028 212 V CA -0.131 62.154 62.300 -0.024 0.000 0.851 212 V CB 1.245 33.049 31.823 -0.032 0.000 1.000 212 V HN 0.981 nan 8.190 nan 0.000 0.456 213 A N 2.892 125.704 122.820 -0.014 0.000 3.317 213 A HA 0.474 2.456 4.320 -3.896 0.000 0.307 213 A C 0.899 178.484 177.584 0.002 0.000 1.003 213 A CA 0.219 52.260 52.037 0.005 0.000 0.882 213 A CB 0.394 19.408 19.000 0.023 0.000 1.136 213 A HN 0.810 nan 8.150 nan 0.000 0.488 214 T N -2.447 112.101 114.554 -0.010 0.000 3.107 214 T HA 0.469 2.481 4.350 -3.896 0.000 0.249 214 T C 1.170 175.870 174.700 0.000 0.000 1.096 214 T CA 0.875 62.967 62.100 -0.013 0.000 1.012 214 T CB -0.193 68.654 68.868 -0.035 0.000 0.977 214 T HN 2.173 nan 8.240 nan 0.000 0.527 215 G N 0.294 109.094 108.800 -0.000 0.000 2.782 215 G HA2 0.217 1.840 3.960 -3.896 0.000 0.228 215 G HA3 0.217 1.840 3.960 -3.896 0.000 0.228 215 G C 0.143 175.010 174.900 -0.055 0.000 1.372 215 G CA -0.584 44.503 45.100 -0.021 0.000 0.862 215 G HN 0.888 nan 8.290 nan 0.000 0.547 216 G N -1.526 107.188 108.800 -0.143 0.000 2.621 216 G HA2 0.628 2.250 3.960 -3.896 0.000 0.271 216 G HA3 0.628 2.250 3.960 -3.896 0.000 0.271 216 G C 0.247 175.080 174.900 -0.112 0.000 1.236 216 G CA 0.371 45.330 45.100 -0.236 0.000 0.958 216 G HN 1.842 nan 8.290 nan 0.000 0.512 217 Y N -1.946 118.285 120.300 -0.115 0.000 2.617 217 Y HA 0.515 2.726 4.550 -3.900 0.000 0.328 217 Y C 1.511 177.389 175.900 -0.037 0.000 0.946 217 Y CA -0.825 57.239 58.100 -0.060 0.000 1.241 217 Y CB 0.115 38.559 38.460 -0.027 0.000 1.226 217 Y HN 0.449 nan 8.280 nan 0.000 0.582 218 G N 1.172 109.874 108.800 -0.164 0.000 2.479 218 G HA2 -0.189 1.433 3.960 -3.896 0.000 0.220 218 G HA3 -0.189 1.433 3.960 -3.896 0.000 0.220 218 G C 1.705 176.609 174.900 0.006 0.000 1.115 218 G CA 0.244 45.263 45.100 -0.136 0.000 0.757 218 G HN 0.292 nan 8.290 nan 0.000 0.560 219 R N 0.638 121.148 120.500 0.017 0.000 2.316 219 R HA -0.034 1.968 4.340 -3.896 0.000 0.202 219 R C 2.678 179.037 176.300 0.098 0.000 1.029 219 R CA 1.288 57.406 56.100 0.030 0.000 1.018 219 R CB -0.902 29.408 30.300 0.017 0.000 0.888 219 R HN 0.584 nan 8.270 nan 0.000 0.471 220 T N -2.366 112.285 114.554 0.162 0.000 2.833 220 T HA -0.107 1.905 4.350 -3.896 0.000 0.269 220 T C 0.881 175.584 174.700 0.004 0.000 1.054 220 T CA 0.906 63.067 62.100 0.100 0.000 1.135 220 T CB -0.203 68.750 68.868 0.141 0.000 0.869 220 T HN 0.037 nan 8.240 nan 0.000 0.466 221 Y N -0.686 119.666 120.300 0.088 0.000 2.458 221 Y HA 0.496 2.706 4.550 -3.900 0.000 0.322 221 Y C 0.983 176.964 175.900 0.134 0.000 1.259 221 Y CA -1.941 56.229 58.100 0.118 0.000 1.302 221 Y CB 0.579 39.086 38.460 0.078 0.000 1.314 221 Y HN -0.055 nan 8.280 nan 0.000 0.509 222 F N -0.006 120.070 119.950 0.210 0.000 2.234 222 F HA 0.067 2.256 4.527 -3.897 0.000 0.296 222 F C 0.999 176.853 175.800 0.090 0.000 1.089 222 F CA 0.883 58.953 58.000 0.117 0.000 1.343 222 F CB 0.140 39.200 39.000 0.100 0.000 1.040 222 F HN 0.268 nan 8.300 nan 0.000 0.498 223 S N 0.967 116.732 115.700 0.108 0.000 2.566 223 S HA 0.598 2.730 4.470 -3.896 0.000 0.324 223 S C -0.776 173.811 174.600 -0.022 0.000 1.081 223 S CA -0.507 57.672 58.200 -0.036 0.000 1.105 223 S CB -0.167 63.090 63.200 0.096 0.000 0.981 223 S HN 0.456 nan 8.310 nan 0.000 0.464 224 C N 2.239 121.480 119.300 -0.097 0.000 3.288 224 C HA 0.749 2.872 4.460 -3.896 0.000 0.318 224 C C 1.353 176.288 174.990 -0.093 0.000 1.356 224 C CA -0.082 58.876 59.018 -0.099 0.000 1.359 224 C CB 0.731 28.403 27.740 -0.115 0.000 1.688 224 C HN 0.759 nan 8.230 nan 0.000 0.467 225 T N -1.254 113.277 114.554 -0.038 0.000 3.081 225 T HA 0.209 2.221 4.350 -3.896 0.000 0.250 225 T C 0.693 175.411 174.700 0.031 0.000 1.100 225 T CA 0.794 62.903 62.100 0.014 0.000 1.038 225 T CB -0.580 68.361 68.868 0.121 0.000 0.962 225 T HN 1.252 nan 8.240 nan 0.000 0.516 226 S N 1.395 117.041 115.700 -0.089 0.000 2.614 226 S HA 0.717 2.850 4.470 -3.896 0.000 0.265 226 S C 0.583 175.028 174.600 -0.257 0.000 1.303 226 S CA -0.689 57.331 58.200 -0.300 0.000 1.000 226 S CB 0.759 63.711 63.200 -0.413 0.000 0.935 226 S HN 0.647 nan 8.310 nan 0.000 0.551 227 A N 0.667 123.277 122.820 -0.350 0.000 2.327 227 A HA 0.274 2.257 4.320 -3.896 0.000 0.255 227 A C 1.178 178.695 177.584 -0.112 0.000 1.099 227 A CA -0.389 51.603 52.037 -0.076 0.000 0.801 227 A CB -0.408 18.657 19.000 0.108 0.000 1.062 227 A HN 1.021 nan 8.150 nan 0.000 0.496 228 H N -0.125 118.947 119.070 0.003 0.000 2.521 228 H HA -0.086 2.133 4.556 -3.895 0.000 0.286 228 H C 1.904 177.249 175.328 0.030 0.000 1.034 228 H CA 1.952 58.009 56.048 0.014 0.000 1.278 228 H CB -0.018 29.764 29.762 0.033 0.000 1.386 228 H HN 0.841 nan 8.280 nan 0.000 0.567 229 T N -2.640 111.993 114.554 0.132 0.000 3.057 229 T HA 0.041 2.054 4.350 -3.896 0.000 0.254 229 T C 1.302 176.037 174.700 0.057 0.000 1.094 229 T CA -0.150 62.019 62.100 0.114 0.000 1.088 229 T CB -0.044 68.903 68.868 0.132 0.000 0.934 229 T HN -0.071 nan 8.240 nan 0.000 0.497 230 S N 3.150 118.833 115.700 -0.029 0.000 4.051 230 S HA 0.175 2.308 4.470 -3.896 0.000 0.215 230 S C 1.373 175.959 174.600 -0.024 0.000 1.289 230 S CA 0.127 58.275 58.200 -0.086 0.000 0.907 230 S CB -0.531 62.502 63.200 -0.279 0.000 1.603 230 S HN 0.776 nan 8.310 nan 0.000 0.453 231 T N -1.554 113.028 114.554 0.047 0.000 3.023 231 T HA 0.356 2.369 4.350 -3.896 0.000 0.253 231 T C 1.104 175.879 174.700 0.126 0.000 1.038 231 T CA 0.173 62.328 62.100 0.092 0.000 0.962 231 T CB 0.059 68.993 68.868 0.110 0.000 1.018 231 T HN 0.699 nan 8.240 nan 0.000 0.521 232 G N 1.981 110.845 108.800 0.106 0.000 2.438 232 G HA2 -0.158 1.464 3.960 -3.896 0.000 0.272 232 G HA3 -0.158 1.464 3.960 -3.896 0.000 0.272 232 G C -0.053 174.879 174.900 0.054 0.000 0.991 232 G CA 0.114 45.284 45.100 0.117 0.000 1.348 232 G HN 0.423 nan 8.290 nan 0.000 0.483 233 D N 0.297 120.708 120.400 0.018 0.000 2.324 233 D HA 0.085 2.388 4.640 -3.896 0.000 0.212 233 D C 2.481 178.748 176.300 -0.054 0.000 0.984 233 D CA 1.174 55.165 54.000 -0.015 0.000 0.885 233 D CB -0.474 40.296 40.800 -0.050 0.000 0.996 233 D HN 0.564 nan 8.370 nan 0.000 0.505 234 G N 0.355 109.119 108.800 -0.061 0.000 2.432 234 G HA2 -0.234 1.388 3.960 -3.896 0.000 0.219 234 G HA3 -0.234 1.388 3.960 -3.896 0.000 0.219 234 G C 1.586 176.458 174.900 -0.047 0.000 1.135 234 G CA 1.439 46.502 45.100 -0.062 0.000 0.767 234 G HN 0.221 nan 8.290 nan 0.000 0.550 235 T N 1.556 116.090 114.554 -0.034 0.000 2.788 235 T HA 0.009 2.021 4.350 -3.896 0.000 0.268 235 T C 2.745 177.406 174.700 -0.066 0.000 1.044 235 T CA 1.458 63.529 62.100 -0.048 0.000 1.139 235 T CB -0.255 68.584 68.868 -0.047 0.000 0.867 235 T HN 0.371 nan 8.240 nan 0.000 0.454 236 A N 0.939 123.726 122.820 -0.055 0.000 1.970 236 A HA 0.150 2.133 4.320 -3.896 0.000 0.216 236 A C 2.290 179.857 177.584 -0.027 0.000 1.170 236 A CA 0.906 52.919 52.037 -0.039 0.000 0.645 236 A CB -0.588 18.404 19.000 -0.014 0.000 0.816 236 A HN 0.428 nan 8.150 nan 0.000 0.447 237 M N -0.779 118.799 119.600 -0.036 0.000 2.159 237 M HA -0.124 2.019 4.480 -3.896 0.000 0.263 237 M C 2.033 178.313 176.300 -0.033 0.000 1.063 237 M CA 1.272 56.550 55.300 -0.038 0.000 1.110 237 M CB -0.350 32.214 32.600 -0.060 0.000 1.374 237 M HN 0.236 nan 8.290 nan 0.000 0.411 238 V N -0.301 119.589 119.914 -0.039 0.000 2.358 238 V HA -0.240 1.542 4.120 -3.896 0.000 0.246 238 V C 2.307 178.384 176.094 -0.028 0.000 1.047 238 V CA 2.133 64.410 62.300 -0.037 0.000 1.035 238 V CB -0.826 30.968 31.823 -0.050 0.000 0.658 238 V HN 0.488 nan 8.190 nan 0.000 0.452 239 T N -0.394 114.139 114.554 -0.036 0.000 2.708 239 T HA -0.196 1.817 4.350 -3.896 0.000 0.266 239 T C 1.977 176.680 174.700 0.004 0.000 1.037 239 T CA 1.410 63.494 62.100 -0.027 0.000 1.146 239 T CB -0.246 68.593 68.868 -0.048 0.000 0.865 239 T HN 0.397 nan 8.240 nan 0.000 0.435 240 R N 0.683 121.185 120.500 0.003 0.000 2.285 240 R HA 0.159 2.162 4.340 -3.896 0.000 0.213 240 R C 2.125 178.432 176.300 0.013 0.000 1.068 240 R CA 0.675 56.784 56.100 0.014 0.000 1.004 240 R CB -0.084 30.224 30.300 0.014 0.000 0.873 240 R HN 0.271 nan 8.270 nan 0.000 0.467 241 A N -0.012 122.814 122.820 0.010 0.000 2.275 241 A HA 0.252 2.235 4.320 -3.896 0.000 0.212 241 A C 1.333 178.935 177.584 0.029 0.000 1.201 241 A CA 0.599 52.642 52.037 0.011 0.000 0.843 241 A CB 0.145 19.145 19.000 0.000 0.000 0.873 241 A HN 0.373 nan 8.150 nan 0.000 0.492 242 G N -1.069 107.764 108.800 0.054 0.000 2.143 242 G HA2 -0.212 1.410 3.960 -3.896 0.000 0.249 242 G HA3 -0.212 1.410 3.960 -3.896 0.000 0.249 242 G C 0.032 175.060 174.900 0.213 0.000 0.981 242 G CA 0.395 45.556 45.100 0.103 0.000 0.665 242 G HN 0.438 nan 8.290 nan 0.000 0.528 243 L N 1.453 122.760 121.223 0.141 0.000 2.357 243 L HA 0.539 2.542 4.340 -3.896 0.000 0.273 243 L C -1.449 175.406 176.870 -0.025 0.000 1.080 243 L CA -2.354 52.558 54.840 0.119 0.000 0.803 243 L CB 1.244 43.319 42.059 0.026 0.000 1.174 243 L HN -0.052 nan 8.230 nan 0.000 0.443 244 P HA 0.185 nan 4.420 nan 0.000 0.276 244 P C -1.207 175.901 177.300 -0.320 0.000 1.252 244 P CA -0.580 62.146 63.100 -0.624 0.000 0.802 244 P CB 1.066 32.337 31.700 -0.716 0.000 1.035 245 C N 0.766 119.875 119.300 -0.317 0.000 2.498 245 C HA 0.429 2.552 4.460 -3.896 0.000 0.316 245 C C 0.096 174.999 174.990 -0.144 0.000 1.209 245 C CA -0.176 58.733 59.018 -0.182 0.000 1.518 245 C CB 1.182 28.834 27.740 -0.146 0.000 2.147 245 C HN 0.563 nan 8.230 nan 0.000 0.483 246 Q N 1.542 121.290 119.800 -0.088 0.000 2.241 246 Q HA 0.213 2.215 4.340 -3.896 0.000 0.254 246 Q C -0.313 175.725 176.000 0.063 0.000 0.917 246 Q CA 0.029 55.807 55.803 -0.040 0.000 0.919 246 Q CB 0.664 29.337 28.738 -0.109 0.000 1.237 246 Q HN 0.779 nan 8.270 nan 0.000 0.434 247 D N 2.899 123.403 120.400 0.173 0.000 2.701 247 D HA -0.230 2.072 4.640 -3.896 0.000 0.235 247 D C 0.465 176.980 176.300 0.359 0.000 1.155 247 D CA 0.714 54.937 54.000 0.372 0.000 0.649 247 D CB -0.732 40.276 40.800 0.347 0.000 1.050 247 D HN 0.658 nan 8.370 nan 0.000 0.425 248 L N 0.200 121.552 121.223 0.216 0.000 2.465 248 L HA -0.122 1.880 4.340 -3.896 0.000 0.224 248 L C 2.580 179.593 176.870 0.237 0.000 1.145 248 L CA 0.866 55.840 54.840 0.224 0.000 0.834 248 L CB -0.181 41.932 42.059 0.090 0.000 0.944 248 L HN 0.200 nan 8.230 nan 0.000 0.451 249 E N 0.478 120.759 120.200 0.134 0.000 2.285 249 E HA -0.167 1.845 4.350 -3.896 0.000 0.194 249 E C 0.354 176.948 176.600 -0.010 0.000 0.997 249 E CA 0.372 56.773 56.400 0.003 0.000 0.845 249 E CB -0.278 29.272 29.700 -0.251 0.000 0.782 249 E HN 0.296 nan 8.360 nan 0.000 0.491 250 F N 2.197 122.237 119.950 0.150 0.000 2.494 250 F HA 0.162 2.351 4.527 -3.897 0.000 0.351 250 F C -0.091 175.777 175.800 0.114 0.000 1.205 250 F CA -0.305 57.789 58.000 0.157 0.000 1.125 250 F CB 0.765 39.852 39.000 0.146 0.000 1.268 250 F HN -0.276 nan 8.300 nan 0.000 0.593 251 V N 3.908 123.952 119.914 0.216 0.000 2.409 251 V HA 0.229 2.012 4.120 -3.896 0.000 0.291 251 V C -0.062 176.030 176.094 -0.004 0.000 1.020 251 V CA -0.997 61.313 62.300 0.016 0.000 0.848 251 V CB 1.506 33.269 31.823 -0.100 0.000 0.990 251 V HN 0.573 nan 8.190 nan 0.000 0.430 252 Q N 3.556 123.348 119.800 -0.015 0.000 2.295 252 Q HA 0.366 2.369 4.340 -3.896 0.000 0.259 252 Q C -1.375 174.593 176.000 -0.053 0.000 0.976 252 Q CA -0.317 55.537 55.803 0.086 0.000 0.923 252 Q CB 0.567 29.424 28.738 0.198 0.000 1.185 252 Q HN 0.641 nan 8.270 nan 0.000 0.410 253 F N 3.578 123.551 119.950 0.039 0.000 2.335 253 F HA 0.134 2.321 4.527 -3.901 0.000 0.365 253 F C 0.250 176.075 175.800 0.042 0.000 1.122 253 F CA -0.634 57.371 58.000 0.008 0.000 1.151 253 F CB 0.425 39.387 39.000 -0.062 0.000 1.282 253 F HN 0.605 nan 8.300 nan 0.000 0.513 254 H N 5.875 124.994 119.070 0.083 0.000 2.899 254 H HA 0.181 2.399 4.556 -3.897 0.000 0.303 254 H C -1.944 173.379 175.328 -0.007 0.000 1.042 254 H CA -2.030 53.990 56.048 -0.046 0.000 1.479 254 H CB 1.134 30.713 29.762 -0.305 0.000 1.493 254 H HN 0.284 nan 8.280 nan 0.000 0.534 255 P HA -0.109 nan 4.420 nan 0.000 0.215 255 P C 0.054 177.124 177.300 -0.384 0.000 1.153 255 P CA 1.647 64.545 63.100 -0.336 0.000 0.853 255 P CB 0.192 31.732 31.700 -0.267 0.000 0.788 256 T N -2.198 111.901 114.554 -0.757 0.000 3.281 256 T HA 0.637 2.649 4.350 -3.896 0.000 0.359 256 T C 0.238 174.880 174.700 -0.097 0.000 1.459 256 T CA -0.797 61.110 62.100 -0.323 0.000 1.114 256 T CB -0.125 68.632 68.868 -0.186 0.000 1.162 256 T HN 0.017 nan 8.240 nan 0.000 0.665 257 G N 2.787 111.568 108.800 -0.030 0.000 2.617 257 G HA2 0.594 2.217 3.960 -3.896 0.000 0.306 257 G HA3 0.594 2.217 3.960 -3.896 0.000 0.306 257 G C -0.415 174.491 174.900 0.010 0.000 1.360 257 G CA -1.082 44.040 45.100 0.037 0.000 0.983 257 G HN 0.665 nan 8.290 nan 0.000 0.496 258 I N 1.824 122.385 120.570 -0.016 0.000 2.752 258 I HA -0.066 1.767 4.170 -3.896 0.000 0.289 258 I C 1.491 177.609 176.117 0.002 0.000 1.197 258 I CA -0.048 61.238 61.300 -0.023 0.000 1.432 258 I CB 0.438 38.411 38.000 -0.044 0.000 1.359 258 I HN 0.668 nan 8.210 nan 0.000 0.571 259 Y N 6.152 126.379 120.300 -0.121 0.000 2.256 259 Y HA -0.133 2.079 4.550 -3.897 0.000 0.288 259 Y C 1.880 177.766 175.900 -0.023 0.000 1.155 259 Y CA 1.560 59.611 58.100 -0.082 0.000 1.203 259 Y CB -0.394 37.935 38.460 -0.219 0.000 0.980 259 Y HN 0.662 nan 8.280 nan 0.000 0.530 260 G N -0.003 108.702 108.800 -0.158 0.000 2.752 260 G HA2 -0.125 1.497 3.960 -3.896 0.000 0.209 260 G HA3 -0.125 1.497 3.960 -3.896 0.000 0.209 260 G C 1.645 176.443 174.900 -0.170 0.000 1.392 260 G CA 0.960 45.949 45.100 -0.184 0.000 0.873 260 G HN 0.530 nan 8.290 nan 0.000 0.586 261 A N -0.937 121.822 122.820 -0.101 0.000 2.169 261 A HA 0.439 2.421 4.320 -3.896 0.000 0.212 261 A C 1.952 179.416 177.584 -0.200 0.000 1.153 261 A CA 1.447 53.404 52.037 -0.133 0.000 0.756 261 A CB -0.485 18.433 19.000 -0.137 0.000 0.813 261 A HN 2.029 nan 8.150 nan 0.000 0.471 262 G N -1.803 106.886 108.800 -0.186 0.000 2.132 262 G HA2 -0.251 1.371 3.960 -3.896 0.000 0.234 262 G HA3 -0.251 1.371 3.960 -3.896 0.000 0.234 262 G C 0.277 175.084 174.900 -0.156 0.000 0.989 262 G CA -0.009 45.001 45.100 -0.149 0.000 0.676 262 G HN 0.583 nan 8.290 nan 0.000 0.522 263 C N -0.464 118.693 119.300 -0.239 0.000 2.639 263 C HA 0.648 2.771 4.460 -3.896 0.000 0.360 263 C C 1.077 176.000 174.990 -0.111 0.000 1.351 263 C CA -0.288 58.576 59.018 -0.256 0.000 2.408 263 C CB 0.779 28.210 27.740 -0.515 0.000 2.517 263 C HN 0.646 nan 8.230 nan 0.000 0.696 264 L N 2.668 123.851 121.223 -0.067 0.000 2.307 264 L HA 0.694 2.696 4.340 -3.896 0.000 0.284 264 L C -0.491 176.380 176.870 0.002 0.000 1.023 264 L CA -0.281 54.560 54.840 0.001 0.000 0.810 264 L CB 0.681 42.741 42.059 0.002 0.000 1.231 264 L HN 0.689 nan 8.230 nan 0.000 0.423 265 I N 1.117 121.712 120.570 0.043 0.000 2.404 265 I HA 0.425 2.257 4.170 -3.896 0.000 0.293 265 I C 0.342 176.507 176.117 0.080 0.000 0.992 265 I CA -0.498 60.827 61.300 0.043 0.000 1.149 265 I CB 1.679 39.697 38.000 0.028 0.000 1.315 265 I HN 0.508 nan 8.210 nan 0.000 0.446 266 T N 2.279 116.863 114.554 0.050 0.000 2.855 266 T HA -0.056 1.956 4.350 -3.896 0.000 0.322 266 T C 1.009 175.739 174.700 0.050 0.000 1.088 266 T CA 0.372 62.504 62.100 0.053 0.000 1.104 266 T CB 0.616 69.539 68.868 0.091 0.000 0.996 266 T HN 0.935 nan 8.240 nan 0.000 0.549 267 E N 1.591 121.792 120.200 0.002 0.000 2.418 267 E HA 0.001 2.014 4.350 -3.896 0.000 0.197 267 E C 2.011 178.404 176.600 -0.345 0.000 1.026 267 E CA 0.789 57.054 56.400 -0.224 0.000 0.862 267 E CB -0.693 28.715 29.700 -0.486 0.000 0.799 267 E HN 0.904 nan 8.360 nan 0.000 0.518 268 G N 0.317 109.096 108.800 -0.035 0.000 2.470 268 G HA2 -0.278 1.344 3.960 -3.896 0.000 0.220 268 G HA3 -0.278 1.344 3.960 -3.896 0.000 0.220 268 G C 1.528 176.452 174.900 0.040 0.000 1.121 268 G CA 0.824 45.999 45.100 0.125 0.000 0.766 268 G HN 0.380 nan 8.290 nan 0.000 0.553 269 C N -0.008 119.295 119.300 0.005 0.000 2.429 269 C HA 0.026 2.148 4.460 -3.896 0.000 0.277 269 C C 2.911 177.889 174.990 -0.020 0.000 1.262 269 C CA 0.705 59.722 59.018 -0.001 0.000 1.733 269 C CB -0.764 26.976 27.740 -0.000 0.000 2.010 269 C HN 0.469 nan 8.230 nan 0.000 0.483 270 R N 0.456 120.913 120.500 -0.072 0.000 2.148 270 R HA -0.002 2.001 4.340 -3.896 0.000 0.223 270 R C 2.439 178.683 176.300 -0.093 0.000 1.088 270 R CA 1.260 57.307 56.100 -0.088 0.000 0.985 270 R CB -0.534 29.678 30.300 -0.147 0.000 0.880 270 R HN 0.632 nan 8.270 nan 0.000 0.451 271 G N 0.985 109.712 108.800 -0.122 0.000 2.403 271 G HA2 -0.203 1.420 3.960 -3.896 0.000 0.216 271 G HA3 -0.203 1.420 3.960 -3.896 0.000 0.216 271 G C 1.218 176.141 174.900 0.039 0.000 1.154 271 G CA 0.285 45.347 45.100 -0.062 0.000 0.784 271 G HN 0.186 nan 8.290 nan 0.000 0.538 272 E N 0.059 120.297 120.200 0.063 0.000 2.216 272 E HA 0.084 2.097 4.350 -3.896 0.000 0.192 272 E C 1.710 178.360 176.600 0.085 0.000 0.988 272 E CA 0.921 57.377 56.400 0.093 0.000 0.834 272 E CB 0.220 29.970 29.700 0.084 0.000 0.772 272 E HN 0.468 nan 8.360 nan 0.000 0.479 273 G N 0.681 109.525 108.800 0.073 0.000 2.598 273 G HA2 -0.064 1.558 3.960 -3.896 0.000 0.221 273 G HA3 -0.064 1.558 3.960 -3.896 0.000 0.221 273 G C 0.315 175.331 174.900 0.193 0.000 1.019 273 G CA -0.308 44.866 45.100 0.124 0.000 0.912 273 G HN 0.345 nan 8.290 nan 0.000 0.574 274 G N 0.279 109.139 108.800 0.101 0.000 2.432 274 G HA2 0.571 2.194 3.960 -3.896 0.000 0.257 274 G HA3 0.571 2.194 3.960 -3.896 0.000 0.257 274 G C -0.026 174.944 174.900 0.116 0.000 1.238 274 G CA -0.231 44.938 45.100 0.115 0.000 0.838 274 G HN 0.360 nan 8.290 nan 0.000 0.547 275 I N 1.399 122.074 120.570 0.175 0.000 2.569 275 I HA 0.346 2.179 4.170 -3.896 0.000 0.296 275 I C -0.642 175.543 176.117 0.113 0.000 1.028 275 I CA -1.121 60.239 61.300 0.101 0.000 1.082 275 I CB 1.730 39.775 38.000 0.075 0.000 1.264 275 I HN 0.151 nan 8.210 nan 0.000 0.429 276 L N 5.940 127.208 121.223 0.076 0.000 2.264 276 L HA 0.451 2.454 4.340 -3.896 0.000 0.289 276 L C -0.333 176.743 176.870 0.344 0.000 1.044 276 L CA 0.038 54.996 54.840 0.196 0.000 0.807 276 L CB 0.936 43.090 42.059 0.158 0.000 1.192 276 L HN 0.339 nan 8.230 nan 0.000 0.425 277 I N 4.205 124.992 120.570 0.361 0.000 2.465 277 I HA 0.393 2.226 4.170 -3.896 0.000 0.291 277 I C -0.020 176.206 176.117 0.181 0.000 1.014 277 I CA -0.391 61.084 61.300 0.291 0.000 1.093 277 I CB 1.513 39.628 38.000 0.191 0.000 1.267 277 I HN 0.669 nan 8.210 nan 0.000 0.431 278 N N 3.234 121.974 118.700 0.067 0.000 2.538 278 N HA 0.197 2.600 4.740 -3.896 0.000 0.292 278 N C 0.945 176.368 175.510 -0.146 0.000 1.262 278 N CA -0.241 52.720 53.050 -0.149 0.000 0.976 278 N CB 0.350 38.643 38.487 -0.322 0.000 1.161 278 N HN 0.514 nan 8.380 nan 0.000 0.598 279 S N -1.348 114.236 115.700 -0.193 0.000 2.442 279 S HA -0.174 1.959 4.470 -3.896 0.000 0.236 279 S C 1.293 175.820 174.600 -0.122 0.000 1.007 279 S CA 0.725 58.813 58.200 -0.187 0.000 0.965 279 S CB -0.340 62.749 63.200 -0.185 0.000 0.773 279 S HN 0.544 nan 8.310 nan 0.000 0.504 280 Q N 0.774 120.522 119.800 -0.088 0.000 2.230 280 Q HA 0.151 2.153 4.340 -3.896 0.000 0.202 280 Q C 1.925 177.906 176.000 -0.032 0.000 0.963 280 Q CA 1.078 56.849 55.803 -0.052 0.000 0.866 280 Q CB -0.568 28.151 28.738 -0.033 0.000 0.931 280 Q HN 0.837 nan 8.270 nan 0.000 0.452 281 G N 0.933 109.720 108.800 -0.021 0.000 2.213 281 G HA2 -0.267 1.355 3.960 -3.896 0.000 0.236 281 G HA3 -0.267 1.355 3.960 -3.896 0.000 0.236 281 G C 0.108 175.030 174.900 0.036 0.000 0.991 281 G CA 0.276 45.377 45.100 0.002 0.000 0.629 281 G HN 0.358 nan 8.290 nan 0.000 0.517 282 E N 0.720 120.950 120.200 0.051 0.000 2.383 282 E HA 0.334 2.347 4.350 -3.896 0.000 0.264 282 E C 0.633 177.314 176.600 0.135 0.000 1.050 282 E CA -0.728 55.716 56.400 0.074 0.000 0.896 282 E CB 0.330 30.071 29.700 0.069 0.000 0.982 282 E HN 0.316 nan 8.360 nan 0.000 0.424 283 R N 4.736 125.292 120.500 0.094 0.000 2.459 283 R HA -0.008 1.995 4.340 -3.896 0.000 0.301 283 R C 0.735 177.093 176.300 0.097 0.000 1.286 283 R CA -0.026 56.123 56.100 0.081 0.000 1.046 283 R CB -0.405 29.902 30.300 0.011 0.000 1.071 283 R HN 0.552 nan 8.270 nan 0.000 0.512 284 F N 2.705 122.692 119.950 0.062 0.000 2.661 284 F HA 0.025 2.214 4.527 -3.897 0.000 0.298 284 F C 0.966 176.883 175.800 0.194 0.000 1.137 284 F CA 0.109 58.173 58.000 0.107 0.000 1.454 284 F CB 0.130 39.212 39.000 0.137 0.000 1.103 284 F HN 0.314 nan 8.300 nan 0.000 0.577 285 M N 0.810 120.101 119.600 -0.516 0.000 2.595 285 M HA 0.022 2.165 4.480 -3.896 0.000 0.248 285 M C 1.873 178.120 176.300 -0.089 0.000 1.119 285 M CA 0.682 55.760 55.300 -0.370 0.000 1.079 285 M CB -0.899 31.411 32.600 -0.483 0.000 1.472 285 M HN 0.454 nan 8.290 nan 0.000 0.501 286 E N 0.201 120.367 120.200 -0.057 0.000 2.318 286 E HA -0.099 1.914 4.350 -3.896 0.000 0.193 286 E C 2.093 178.687 176.600 -0.011 0.000 0.998 286 E CA 0.220 56.608 56.400 -0.020 0.000 0.859 286 E CB 0.320 30.007 29.700 -0.021 0.000 0.812 286 E HN 0.361 nan 8.360 nan 0.000 0.492 287 R N -0.628 119.856 120.500 -0.025 0.000 2.092 287 R HA -0.143 1.859 4.340 -3.896 0.000 0.231 287 R C 1.307 177.486 176.300 -0.203 0.000 1.119 287 R CA 1.411 57.429 56.100 -0.136 0.000 0.970 287 R CB 0.003 30.175 30.300 -0.213 0.000 0.864 287 R HN 0.219 nan 8.270 nan 0.000 0.440 288 Y N -0.410 119.903 120.300 0.022 0.000 2.222 288 Y HA 0.296 2.509 4.550 -3.895 0.000 0.290 288 Y C 0.925 176.840 175.900 0.025 0.000 1.123 288 Y CA 0.404 58.524 58.100 0.034 0.000 1.120 288 Y CB -0.040 38.447 38.460 0.045 0.000 1.060 288 Y HN 0.025 nan 8.280 nan 0.000 0.508 289 A N 1.269 124.197 122.820 0.180 0.000 2.252 289 A HA 0.380 2.363 4.320 -3.896 0.000 0.309 289 A C -2.128 175.495 177.584 0.066 0.000 1.285 289 A CA -1.394 50.709 52.037 0.111 0.000 0.900 289 A CB 0.272 19.325 19.000 0.089 0.000 1.157 289 A HN 0.115 nan 8.150 nan 0.000 0.536 290 P HA -0.021 nan 4.420 nan 0.000 0.215 290 P C 1.423 178.746 177.300 0.040 0.000 1.157 290 P CA 0.706 63.830 63.100 0.040 0.000 0.869 290 P CB 0.105 31.827 31.700 0.037 0.000 0.781 291 V N 0.210 120.159 119.914 0.059 0.000 2.346 291 V HA -0.057 1.725 4.120 -3.896 0.000 0.244 291 V C 2.503 178.634 176.094 0.061 0.000 1.037 291 V CA 2.257 64.594 62.300 0.061 0.000 1.029 291 V CB -1.764 30.105 31.823 0.078 0.000 0.663 291 V HN 0.059 nan 8.190 nan 0.000 0.454 292 A N -1.837 121.034 122.820 0.085 0.000 2.030 292 A HA 0.104 2.086 4.320 -3.896 0.000 0.215 292 A C 1.365 178.945 177.584 -0.007 0.000 1.164 292 A CA 0.907 52.971 52.037 0.045 0.000 0.697 292 A CB -0.004 19.034 19.000 0.063 0.000 0.827 292 A HN 0.543 nan 8.150 nan 0.000 0.457 293 K N -1.307 119.094 120.400 0.002 0.000 1.941 293 K HA -0.254 1.729 4.320 -3.896 0.000 0.187 293 K C 0.342 176.895 176.600 -0.079 0.000 1.490 293 K CA 1.565 57.832 56.287 -0.034 0.000 0.446 293 K CB -1.272 31.204 32.500 -0.040 0.000 0.688 293 K HN 0.557 nan 8.250 nan 0.000 0.803 294 D N 0.869 121.203 120.400 -0.111 0.000 2.363 294 D HA 0.042 2.345 4.640 -3.896 0.000 0.226 294 D C 0.737 176.953 176.300 -0.139 0.000 1.020 294 D CA 0.491 54.402 54.000 -0.147 0.000 0.892 294 D CB 0.072 40.781 40.800 -0.153 0.000 0.900 294 D HN 0.218 nan 8.370 nan 0.000 0.531 295 L N 0.106 121.252 121.223 -0.129 0.000 3.096 295 L HA 0.605 2.607 4.340 -3.896 0.000 0.247 295 L C 0.056 176.810 176.870 -0.194 0.000 1.321 295 L CA -0.584 54.158 54.840 -0.163 0.000 1.044 295 L CB -0.057 41.916 42.059 -0.142 0.000 1.434 295 L HN 0.114 nan 8.230 nan 0.000 0.533 296 A N -1.195 121.512 122.820 -0.188 0.000 3.068 296 A HA 0.780 2.763 4.320 -3.896 0.000 0.229 296 A C 0.365 177.793 177.584 -0.261 0.000 1.561 296 A CA -0.440 51.445 52.037 -0.253 0.000 0.876 296 A CB 0.228 19.171 19.000 -0.095 0.000 1.700 296 A HN 0.266 nan 8.150 nan 0.000 0.535 297 S N -0.254 115.312 115.700 -0.222 0.000 2.579 297 S HA 0.142 2.275 4.470 -3.896 0.000 0.275 297 S C 1.321 175.891 174.600 -0.050 0.000 1.345 297 S CA -0.388 57.747 58.200 -0.108 0.000 1.031 297 S CB 0.514 63.730 63.200 0.026 0.000 0.892 297 S HN 0.545 nan 8.310 nan 0.000 0.529 298 R N 1.146 121.637 120.500 -0.016 0.000 2.152 298 R HA -0.129 1.873 4.340 -3.896 0.000 0.232 298 R C 1.386 177.701 176.300 0.025 0.000 1.117 298 R CA 1.685 57.792 56.100 0.011 0.000 0.981 298 R CB -0.399 29.940 30.300 0.066 0.000 0.870 298 R HN 0.792 nan 8.270 nan 0.000 0.451 299 D N -0.438 119.989 120.400 0.045 0.000 2.277 299 D HA -0.072 2.230 4.640 -3.896 0.000 0.208 299 D C 1.668 177.967 176.300 -0.002 0.000 0.962 299 D CA 0.403 54.428 54.000 0.041 0.000 0.865 299 D CB -0.141 40.709 40.800 0.085 0.000 0.939 299 D HN -0.060 nan 8.370 nan 0.000 0.510 300 V N 0.446 120.363 119.914 0.005 0.000 2.346 300 V HA -0.161 1.622 4.120 -3.896 0.000 0.244 300 V C 2.631 178.683 176.094 -0.071 0.000 1.037 300 V CA 1.193 63.488 62.300 -0.008 0.000 1.029 300 V CB -0.240 31.607 31.823 0.040 0.000 0.663 300 V HN 0.171 nan 8.190 nan 0.000 0.454 301 V N 1.172 121.039 119.914 -0.078 0.000 2.358 301 V HA -0.204 1.579 4.120 -3.896 0.000 0.246 301 V C 2.696 178.738 176.094 -0.085 0.000 1.047 301 V CA 2.188 64.424 62.300 -0.106 0.000 1.035 301 V CB -0.981 30.771 31.823 -0.118 0.000 0.658 301 V HN 0.729 nan 8.190 nan 0.000 0.452 302 S N 0.651 116.303 115.700 -0.079 0.000 2.402 302 S HA -0.225 1.907 4.470 -3.896 0.000 0.229 302 S C 2.041 176.565 174.600 -0.127 0.000 1.021 302 S CA 1.312 59.465 58.200 -0.078 0.000 0.974 302 S CB -0.442 62.731 63.200 -0.044 0.000 0.800 302 S HN 0.437 nan 8.310 nan 0.000 0.484 303 R N 1.790 122.194 120.500 -0.160 0.000 2.096 303 R HA 0.103 2.106 4.340 -3.896 0.000 0.235 303 R C 2.369 178.582 176.300 -0.145 0.000 1.127 303 R CA 1.756 57.730 56.100 -0.210 0.000 0.968 303 R CB -0.987 29.212 30.300 -0.168 0.000 0.861 303 R HN 0.496 nan 8.270 nan 0.000 0.440 304 S N -0.143 115.416 115.700 -0.235 0.000 2.368 304 S HA -0.091 2.041 4.470 -3.896 0.000 0.224 304 S C 1.867 176.448 174.600 -0.032 0.000 1.029 304 S CA 1.460 59.417 58.200 -0.405 0.000 0.988 304 S CB -0.149 62.692 63.200 -0.600 0.000 0.838 304 S HN 0.285 nan 8.310 nan 0.000 0.462 305 M N 0.659 120.299 119.600 0.066 0.000 2.086 305 M HA -0.107 2.035 4.480 -3.896 0.000 0.261 305 M C 2.605 178.903 176.300 -0.003 0.000 1.067 305 M CA 1.493 56.833 55.300 0.066 0.000 1.116 305 M CB -0.773 31.879 32.600 0.088 0.000 1.348 305 M HN 0.279 nan 8.290 nan 0.000 0.407 306 T N 0.203 114.753 114.554 -0.007 0.000 2.962 306 T HA -0.075 1.937 4.350 -3.896 0.000 0.270 306 T C 1.477 176.247 174.700 0.117 0.000 1.088 306 T CA 0.818 62.930 62.100 0.020 0.000 1.127 306 T CB 0.014 68.841 68.868 -0.067 0.000 0.883 306 T HN 0.175 nan 8.240 nan 0.000 0.493 307 L N 0.577 121.888 121.223 0.147 0.000 2.249 307 L HA 0.285 2.287 4.340 -3.896 0.000 0.207 307 L C 2.353 179.252 176.870 0.048 0.000 1.090 307 L CA 1.360 56.284 54.840 0.140 0.000 0.802 307 L CB -0.289 41.881 42.059 0.185 0.000 0.947 307 L HN 0.093 nan 8.230 nan 0.000 0.453 308 E N -0.178 120.027 120.200 0.008 0.000 2.204 308 E HA -0.133 1.880 4.350 -3.896 0.000 0.194 308 E C 2.160 178.709 176.600 -0.084 0.000 0.989 308 E CA 1.232 57.594 56.400 -0.063 0.000 0.824 308 E CB -0.014 29.546 29.700 -0.234 0.000 0.756 308 E HN 0.575 nan 8.360 nan 0.000 0.477 309 I N 0.521 121.055 120.570 -0.060 0.000 2.406 309 I HA -0.159 1.673 4.170 -3.896 0.000 0.249 309 I C 2.244 178.336 176.117 -0.043 0.000 1.122 309 I CA 0.484 61.750 61.300 -0.057 0.000 1.431 309 I CB -0.112 37.870 38.000 -0.030 0.000 1.087 309 I HN -0.124 nan 8.210 nan 0.000 0.424 310 R N 1.085 121.569 120.500 -0.027 0.000 2.148 310 R HA -0.088 1.914 4.340 -3.896 0.000 0.227 310 R C 1.906 178.178 176.300 -0.047 0.000 1.103 310 R CA 0.918 56.995 56.100 -0.038 0.000 0.983 310 R CB -0.500 29.768 30.300 -0.053 0.000 0.874 310 R HN 0.452 nan 8.270 nan 0.000 0.451 311 E N -0.821 119.354 120.200 -0.043 0.000 2.072 311 E HA -0.030 1.983 4.350 -3.896 0.000 0.190 311 E C 1.329 177.899 176.600 -0.051 0.000 0.982 311 E CA 1.331 57.706 56.400 -0.043 0.000 0.803 311 E CB 0.068 29.748 29.700 -0.033 0.000 0.755 311 E HN 0.504 nan 8.360 nan 0.000 0.453 312 G N 0.832 109.596 108.800 -0.061 0.000 2.370 312 G HA2 -0.175 1.448 3.960 -3.896 0.000 0.174 312 G HA3 -0.175 1.448 3.960 -3.896 0.000 0.174 312 G C 0.292 175.138 174.900 -0.090 0.000 1.002 312 G CA -0.367 44.691 45.100 -0.069 0.000 0.730 312 G HN 0.073 nan 8.290 nan 0.000 0.497 313 R N 1.705 122.144 120.500 -0.102 0.000 4.164 313 R HA 0.497 2.500 4.340 -3.896 0.000 0.195 313 R C 1.202 177.400 176.300 -0.169 0.000 1.712 313 R CA 0.841 56.861 56.100 -0.134 0.000 1.457 313 R CB 0.135 30.351 30.300 -0.140 0.000 1.387 313 R HN 0.387 nan 8.270 nan 0.000 0.785 314 G N -1.091 107.607 108.800 -0.170 0.000 2.522 314 G HA2 0.289 1.912 3.960 -3.896 0.000 0.304 314 G HA3 0.289 1.912 3.960 -3.896 0.000 0.304 314 G C 0.030 174.765 174.900 -0.275 0.000 1.210 314 G CA -0.574 44.395 45.100 -0.218 0.000 0.960 314 G HN 0.540 nan 8.290 nan 0.000 0.497 315 C N -0.090 118.978 119.300 -0.388 0.000 3.657 315 C HA 0.518 2.641 4.460 -3.896 0.000 0.291 315 C C 1.337 176.053 174.990 -0.457 0.000 1.572 315 C CA -0.094 58.665 59.018 -0.433 0.000 1.818 315 C CB -0.218 27.224 27.740 -0.496 0.000 2.903 315 C HN 0.895 nan 8.230 nan 0.000 0.632 316 G N 1.535 109.956 108.800 -0.631 0.000 2.938 316 G HA2 0.507 2.129 3.960 -3.896 0.000 0.258 316 G HA3 0.507 2.129 3.960 -3.896 0.000 0.258 316 G C -1.331 173.445 174.900 -0.206 0.000 1.356 316 G CA -0.300 44.491 45.100 -0.516 0.000 1.052 316 G HN 0.043 nan 8.290 nan 0.000 0.550 317 P HA 0.051 nan 4.420 nan 0.000 0.229 317 P C 0.540 177.824 177.300 -0.026 0.000 1.160 317 P CA 1.091 64.181 63.100 -0.017 0.000 0.777 317 P CB 0.701 32.436 31.700 0.059 0.000 0.814 318 E N -0.312 119.856 120.200 -0.055 0.000 2.714 318 E HA 0.116 2.129 4.350 -3.896 0.000 0.219 318 E C -0.548 176.004 176.600 -0.079 0.000 0.979 318 E CA -0.281 56.099 56.400 -0.033 0.000 1.092 318 E CB 0.149 29.868 29.700 0.031 0.000 1.049 318 E HN -0.118 nan 8.360 nan 0.000 0.487 319 K N 1.682 121.988 120.400 -0.157 0.000 3.974 319 K HA -0.173 1.810 4.320 -3.896 0.000 0.280 319 K C -0.711 175.790 176.600 -0.165 0.000 0.949 319 K CA 0.940 57.113 56.287 -0.191 0.000 0.817 319 K CB -1.040 31.380 32.500 -0.134 0.000 1.535 319 K HN 0.334 nan 8.250 nan 0.000 0.444 320 D N -1.393 118.872 120.400 -0.226 0.000 2.486 320 D HA -0.008 2.294 4.640 -3.896 0.000 0.243 320 D C 0.518 176.787 176.300 -0.052 0.000 1.146 320 D CA 0.320 54.266 54.000 -0.091 0.000 0.821 320 D CB 0.093 40.918 40.800 0.042 0.000 1.201 320 D HN 0.649 nan 8.370 nan 0.000 0.525 321 H N -1.089 117.896 119.070 -0.142 0.000 2.834 321 H HA 0.746 2.964 4.556 -3.896 0.000 0.369 321 H C -1.060 174.256 175.328 -0.019 0.000 1.174 321 H CA -1.071 54.930 56.048 -0.078 0.000 1.165 321 H CB 1.731 31.400 29.762 -0.154 0.000 1.820 321 H HN -0.205 nan 8.280 nan 0.000 0.558 322 V N 0.778 120.853 119.914 0.268 0.000 3.096 322 V HA 0.224 2.007 4.120 -3.896 0.000 0.319 322 V C -0.951 175.423 176.094 0.466 0.000 1.103 322 V CA -0.825 61.613 62.300 0.230 0.000 1.016 322 V CB 1.529 33.400 31.823 0.080 0.000 1.090 322 V HN 0.597 nan 8.190 nan 0.000 0.449 323 Y N 1.179 121.548 120.300 0.115 0.000 2.360 323 Y HA 0.619 2.832 4.550 -3.896 0.000 0.337 323 Y C -0.124 175.845 175.900 0.115 0.000 1.039 323 Y CA -1.146 57.022 58.100 0.113 0.000 1.109 323 Y CB 1.671 40.187 38.460 0.093 0.000 1.201 323 Y HN 0.404 nan 8.280 nan 0.000 0.458 324 L N 4.087 125.389 121.223 0.133 0.000 2.305 324 L HA 0.476 2.479 4.340 -3.896 0.000 0.284 324 L C -0.736 176.190 176.870 0.093 0.000 1.013 324 L CA -0.555 54.348 54.840 0.105 0.000 0.819 324 L CB 1.211 43.295 42.059 0.040 0.000 1.227 324 L HN 0.633 nan 8.230 nan 0.000 0.417 325 Q N 4.203 124.092 119.800 0.149 0.000 2.271 325 Q HA 0.435 2.438 4.340 -3.896 0.000 0.258 325 Q C -0.573 175.506 176.000 0.132 0.000 0.936 325 Q CA -0.398 55.508 55.803 0.171 0.000 0.909 325 Q CB 1.484 30.367 28.738 0.242 0.000 1.253 325 Q HN 0.746 nan 8.270 nan 0.000 0.440 326 L N 3.211 124.474 121.223 0.067 0.000 3.289 326 L HA 0.178 2.180 4.340 -3.896 0.000 0.291 326 L C 0.729 177.558 176.870 -0.069 0.000 1.279 326 L CA -0.152 54.648 54.840 -0.067 0.000 1.025 326 L CB 0.116 42.145 42.059 -0.050 0.000 1.413 326 L HN 0.768 nan 8.230 nan 0.000 0.593 327 H N 0.340 119.387 119.070 -0.038 0.000 2.403 327 H HA -0.118 2.100 4.556 -3.896 0.000 0.298 327 H C 2.374 177.704 175.328 0.005 0.000 1.059 327 H CA 2.015 58.072 56.048 0.015 0.000 1.363 327 H CB 0.318 30.135 29.762 0.092 0.000 1.410 327 H HN 0.442 nan 8.280 nan 0.000 0.528 328 H N -0.679 118.410 119.070 0.031 0.000 2.470 328 H HA 0.017 2.235 4.556 -3.896 0.000 0.289 328 H C 0.391 175.695 175.328 -0.041 0.000 1.033 328 H CA -0.013 56.025 56.048 -0.017 0.000 1.331 328 H CB -0.376 29.422 29.762 0.060 0.000 1.414 328 H HN 0.175 nan 8.280 nan 0.000 0.545 329 L N 3.080 124.047 121.223 -0.426 0.000 2.456 329 L HA 0.183 2.186 4.340 -3.896 0.000 0.272 329 L C -1.907 174.887 176.870 -0.125 0.000 1.189 329 L CA -1.787 52.917 54.840 -0.227 0.000 0.846 329 L CB 0.001 41.908 42.059 -0.253 0.000 1.111 329 L HN 0.089 nan 8.230 nan 0.000 0.475 330 P HA 0.088 nan 4.420 nan 0.000 0.266 330 P C -1.883 175.383 177.300 -0.056 0.000 1.195 330 P CA -0.820 62.250 63.100 -0.050 0.000 0.768 330 P CB 0.055 31.741 31.700 -0.023 0.000 0.838 331 P HA -0.150 nan 4.420 nan 0.000 0.218 331 P C 1.227 178.506 177.300 -0.036 0.000 1.149 331 P CA 1.350 64.422 63.100 -0.047 0.000 0.817 331 P CB 0.066 31.742 31.700 -0.041 0.000 0.785 332 E N -0.548 119.633 120.200 -0.031 0.000 2.274 332 E HA -0.162 1.851 4.350 -3.896 0.000 0.194 332 E C 1.979 178.561 176.600 -0.030 0.000 0.996 332 E CA 0.657 57.041 56.400 -0.027 0.000 0.840 332 E CB -0.198 29.489 29.700 -0.022 0.000 0.772 332 E HN 0.413 nan 8.360 nan 0.000 0.491 333 Q N 0.278 120.062 119.800 -0.028 0.000 2.083 333 Q HA -0.079 1.924 4.340 -3.896 0.000 0.198 333 Q C 2.248 178.232 176.000 -0.027 0.000 0.969 333 Q CA 0.712 56.501 55.803 -0.024 0.000 0.838 333 Q CB 0.098 28.828 28.738 -0.013 0.000 0.900 333 Q HN 0.243 nan 8.270 nan 0.000 0.436 334 L N -0.044 121.160 121.223 -0.031 0.000 2.156 334 L HA -0.064 1.938 4.340 -3.896 0.000 0.208 334 L C 2.424 179.278 176.870 -0.026 0.000 1.095 334 L CA 0.838 55.661 54.840 -0.028 0.000 0.770 334 L CB -0.369 41.669 42.059 -0.035 0.000 0.914 334 L HN 0.215 nan 8.230 nan 0.000 0.439 335 A N -0.770 122.033 122.820 -0.029 0.000 2.014 335 A HA -0.040 1.943 4.320 -3.896 0.000 0.218 335 A C 2.198 179.761 177.584 -0.035 0.000 1.163 335 A CA 1.247 53.267 52.037 -0.029 0.000 0.652 335 A CB -0.280 18.703 19.000 -0.028 0.000 0.808 335 A HN 0.198 nan 8.150 nan 0.000 0.449 336 V N -0.886 119.002 119.914 -0.043 0.000 2.581 336 V HA -0.003 1.779 4.120 -3.896 0.000 0.240 336 V C 2.487 178.539 176.094 -0.071 0.000 1.054 336 V CA 1.115 63.379 62.300 -0.061 0.000 1.076 336 V CB -0.502 31.275 31.823 -0.077 0.000 0.748 336 V HN 0.365 nan 8.190 nan 0.000 0.474 337 R N 0.166 120.630 120.500 -0.061 0.000 2.112 337 R HA 0.285 2.288 4.340 -3.896 0.000 0.216 337 R C 0.727 177.027 176.300 -0.000 0.000 1.080 337 R CA 0.728 56.801 56.100 -0.046 0.000 0.996 337 R CB -0.141 30.146 30.300 -0.021 0.000 0.902 337 R HN 0.370 nan 8.270 nan 0.000 0.449 338 L N 1.900 123.123 121.223 0.000 0.000 2.732 338 L HA 0.308 2.311 4.340 -3.896 0.000 0.246 338 L C -1.956 174.913 176.870 -0.002 0.000 1.407 338 L CA -1.194 53.653 54.840 0.011 0.000 0.861 338 L CB 1.760 43.830 42.059 0.018 0.000 1.161 338 L HN -0.105 nan 8.230 nan 0.000 0.510 339 P HA 0.053 nan 4.420 nan 0.000 0.234 339 P C 1.606 178.898 177.300 -0.013 0.000 1.175 339 P CA 0.489 63.580 63.100 -0.015 0.000 0.801 339 P CB 0.477 32.163 31.700 -0.023 0.000 0.891 340 G N 1.359 110.153 108.800 -0.010 0.000 2.408 340 G HA2 -0.192 1.430 3.960 -3.896 0.000 0.217 340 G HA3 -0.192 1.430 3.960 -3.896 0.000 0.217 340 G C 1.311 176.214 174.900 0.005 0.000 1.150 340 G CA 0.894 45.986 45.100 -0.012 0.000 0.776 340 G HN 0.374 nan 8.290 nan 0.000 0.542 341 I N -1.802 118.775 120.570 0.012 0.000 3.226 341 I HA 0.238 2.071 4.170 -3.896 0.000 0.277 341 I C 2.275 178.404 176.117 0.019 0.000 1.243 341 I CA 0.928 62.240 61.300 0.020 0.000 1.459 341 I CB 0.052 38.064 38.000 0.021 0.000 1.093 341 I HN -0.104 nan 8.210 nan 0.000 0.453 342 S N 0.877 116.583 115.700 0.009 0.000 2.428 342 S HA -0.066 2.066 4.470 -3.896 0.000 0.230 342 S C 1.805 176.409 174.600 0.007 0.000 1.014 342 S CA 1.417 59.619 58.200 0.004 0.000 0.957 342 S CB -0.274 62.923 63.200 -0.006 0.000 0.784 342 S HN 0.622 nan 8.310 nan 0.000 0.499 343 E N 0.356 120.562 120.200 0.010 0.000 2.216 343 E HA -0.027 1.986 4.350 -3.896 0.000 0.192 343 E C 2.229 178.852 176.600 0.038 0.000 0.973 343 E CA 1.196 57.602 56.400 0.009 0.000 0.851 343 E CB -0.092 29.605 29.700 -0.005 0.000 0.804 343 E HN 0.611 nan 8.360 nan 0.000 0.477 344 T N -0.571 114.028 114.554 0.074 0.000 2.904 344 T HA 0.055 2.067 4.350 -3.896 0.000 0.267 344 T C 2.059 176.888 174.700 0.215 0.000 1.059 344 T CA 0.804 63.009 62.100 0.176 0.000 1.137 344 T CB -0.028 68.936 68.868 0.159 0.000 0.879 344 T HN 0.095 nan 8.240 nan 0.000 0.467 345 A N 0.727 123.613 122.820 0.110 0.000 2.119 345 A HA 0.334 2.316 4.320 -3.896 0.000 0.216 345 A C 2.198 179.819 177.584 0.062 0.000 1.152 345 A CA 1.026 53.114 52.037 0.085 0.000 0.708 345 A CB -0.634 18.386 19.000 0.034 0.000 0.805 345 A HN 0.443 nan 8.150 nan 0.000 0.460 346 M N -0.504 119.120 119.600 0.040 0.000 2.288 346 M HA 0.134 2.277 4.480 -3.896 0.000 0.266 346 M C 1.562 177.851 176.300 -0.019 0.000 1.072 346 M CA 1.434 56.739 55.300 0.007 0.000 1.132 346 M CB -0.354 32.242 32.600 -0.006 0.000 1.386 346 M HN 0.418 nan 8.290 nan 0.000 0.432 347 I N -1.936 118.609 120.570 -0.042 0.000 2.364 347 I HA -0.105 1.727 4.170 -3.896 0.000 0.241 347 I C 1.570 177.555 176.117 -0.219 0.000 1.082 347 I CA 0.818 62.003 61.300 -0.191 0.000 1.401 347 I CB -0.408 37.372 38.000 -0.368 0.000 1.126 347 I HN 0.073 nan 8.210 nan 0.000 0.429 348 F N 1.032 120.975 119.950 -0.011 0.000 2.163 348 F HA -0.029 2.162 4.527 -3.894 0.000 0.297 348 F C 2.559 178.353 175.800 -0.010 0.000 1.094 348 F CA 1.249 59.242 58.000 -0.011 0.000 1.290 348 F CB -0.535 38.456 39.000 -0.014 0.000 1.017 348 F HN -0.036 nan 8.300 nan 0.000 0.483 349 A N -0.284 122.637 122.820 0.168 0.000 2.021 349 A HA 0.338 2.320 4.320 -3.896 0.000 0.216 349 A C 1.931 179.544 177.584 0.048 0.000 1.163 349 A CA 0.838 52.925 52.037 0.084 0.000 0.676 349 A CB -1.165 17.858 19.000 0.039 0.000 0.818 349 A HN 0.586 nan 8.150 nan 0.000 0.453 350 G N -1.264 107.553 108.800 0.029 0.000 2.246 350 G HA2 -0.104 1.519 3.960 -3.896 0.000 0.273 350 G HA3 -0.104 1.519 3.960 -3.896 0.000 0.273 350 G C -0.126 174.780 174.900 0.010 0.000 1.055 350 G CA 0.381 45.486 45.100 0.009 0.000 0.851 350 G HN 1.031 nan 8.290 nan 0.000 0.500 351 V N 0.156 120.075 119.914 0.008 0.000 2.760 351 V HA 0.435 2.218 4.120 -3.896 0.000 0.309 351 V C 0.040 176.135 176.094 0.002 0.000 1.077 351 V CA -1.170 61.131 62.300 0.002 0.000 0.910 351 V CB 1.983 33.796 31.823 -0.018 0.000 1.008 351 V HN 0.370 nan 8.190 nan 0.000 0.424 352 D N 1.657 122.062 120.400 0.008 0.000 2.357 352 D HA 0.185 2.487 4.640 -3.896 0.000 0.242 352 D C 0.909 177.215 176.300 0.011 0.000 1.153 352 D CA 0.267 54.273 54.000 0.011 0.000 0.918 352 D CB 2.217 43.028 40.800 0.019 0.000 1.181 352 D HN 0.395 nan 8.370 nan 0.000 0.435 353 V N 0.038 119.957 119.914 0.008 0.000 2.922 353 V HA 0.009 1.792 4.120 -3.896 0.000 0.242 353 V C 2.101 178.201 176.094 0.009 0.000 1.094 353 V CA 0.986 63.289 62.300 0.004 0.000 1.106 353 V CB -0.541 31.280 31.823 -0.004 0.000 0.799 353 V HN 0.605 nan 8.190 nan 0.000 0.474 354 T N -0.911 113.646 114.554 0.005 0.000 3.055 354 T HA 0.017 2.029 4.350 -3.896 0.000 0.265 354 T C 1.668 176.380 174.700 0.019 0.000 1.111 354 T CA 1.407 63.499 62.100 -0.012 0.000 1.118 354 T CB -0.114 68.739 68.868 -0.024 0.000 0.909 354 T HN 0.430 nan 8.240 nan 0.000 0.501 355 K N -0.175 120.285 120.400 0.100 0.000 2.485 355 K HA 0.249 2.232 4.320 -3.896 0.000 0.200 355 K C 0.254 177.011 176.600 0.262 0.000 1.352 355 K CA 0.269 56.715 56.287 0.265 0.000 0.953 355 K CB 0.601 33.207 32.500 0.177 0.000 1.387 355 K HN 0.306 nan 8.250 nan 0.000 0.512 356 E N 2.442 122.715 120.200 0.122 0.000 2.242 356 E HA 0.334 2.347 4.350 -3.896 0.000 0.275 356 E C -2.471 174.157 176.600 0.046 0.000 1.002 356 E CA -2.418 54.026 56.400 0.073 0.000 0.841 356 E CB 0.928 30.653 29.700 0.040 0.000 1.109 356 E HN -0.033 nan 8.360 nan 0.000 0.394 357 P HA 0.275 nan 4.420 nan 0.000 0.279 357 P C -0.391 176.775 177.300 -0.225 0.000 1.252 357 P CA -0.522 62.556 63.100 -0.036 0.000 0.811 357 P CB 0.695 32.446 31.700 0.085 0.000 1.035 358 I N 2.303 122.749 120.570 -0.206 0.000 2.336 358 I HA 0.289 2.121 4.170 -3.896 0.000 0.292 358 I C -2.340 173.570 176.117 -0.345 0.000 0.991 358 I CA -3.361 57.802 61.300 -0.229 0.000 1.227 358 I CB 0.687 38.627 38.000 -0.100 0.000 1.366 358 I HN 0.085 nan 8.210 nan 0.000 0.466 359 P HA 0.135 nan 4.420 nan 0.000 0.271 359 P C -0.475 176.689 177.300 -0.227 0.000 1.233 359 P CA 0.023 62.840 63.100 -0.471 0.000 0.764 359 P CB 0.575 31.847 31.700 -0.713 0.000 0.825 360 V N 2.425 122.295 119.914 -0.073 0.000 2.864 360 V HA 0.809 2.592 4.120 -3.896 0.000 0.314 360 V C -0.791 175.351 176.094 0.081 0.000 1.073 360 V CA -1.168 61.135 62.300 0.005 0.000 0.956 360 V CB 2.100 33.928 31.823 0.008 0.000 1.023 360 V HN 0.303 nan 8.190 nan 0.000 0.435 361 L N 3.565 124.835 121.223 0.077 0.000 2.482 361 L HA 0.779 2.782 4.340 -3.896 0.000 0.263 361 L C -2.960 173.953 176.870 0.073 0.000 0.957 361 L CA -1.586 53.324 54.840 0.117 0.000 0.836 361 L CB 2.770 44.954 42.059 0.208 0.000 1.324 361 L HN 0.509 nan 8.230 nan 0.000 0.406 362 P HA 0.286 nan 4.420 nan 0.000 0.266 362 P C -1.249 176.181 177.300 0.216 0.000 1.215 362 P CA 0.051 63.205 63.100 0.091 0.000 0.763 362 P CB 0.497 32.220 31.700 0.037 0.000 0.806 363 T N -0.605 114.082 114.554 0.222 0.000 2.906 363 T HA 0.415 2.427 4.350 -3.896 0.000 0.295 363 T C -0.220 174.481 174.700 0.001 0.000 1.075 363 T CA -0.934 61.275 62.100 0.181 0.000 1.005 363 T CB 0.564 69.482 68.868 0.082 0.000 1.136 363 T HN -0.053 nan 8.240 nan 0.000 0.498 364 V N 2.636 122.374 119.914 -0.293 0.000 2.617 364 V HA 0.188 1.970 4.120 -3.896 0.000 0.304 364 V C 1.066 177.038 176.094 -0.203 0.000 1.040 364 V CA 0.883 62.831 62.300 -0.587 0.000 1.149 364 V CB 0.024 31.415 31.823 -0.719 0.000 0.914 364 V HN 1.200 nan 8.190 nan 0.000 0.487 365 H N 4.028 122.937 119.070 -0.269 0.000 2.006 365 H HA 0.274 2.492 4.556 -3.897 0.000 0.189 365 H C -0.443 174.856 175.328 -0.049 0.000 0.887 365 H CA 0.087 56.077 56.048 -0.098 0.000 0.958 365 H CB 0.434 30.201 29.762 0.008 0.000 1.163 365 H HN 0.515 nan 8.280 nan 0.000 0.364 366 Y N 1.128 121.189 120.300 -0.398 0.000 2.499 366 Y HA 0.456 2.668 4.550 -3.898 0.000 0.347 366 Y C -1.408 174.306 175.900 -0.310 0.000 0.987 366 Y CA -1.220 56.622 58.100 -0.430 0.000 1.044 366 Y CB 1.641 39.885 38.460 -0.360 0.000 1.245 366 Y HN 0.232 nan 8.280 nan 0.000 0.461 367 N N 6.355 124.473 118.700 -0.970 0.000 2.558 367 N HA 0.184 2.586 4.740 -3.896 0.000 0.242 367 N C 0.703 175.814 175.510 -0.665 0.000 0.979 367 N CA -0.497 52.138 53.050 -0.692 0.000 0.931 367 N CB 0.994 38.997 38.487 -0.806 0.000 1.122 367 N HN 0.605 nan 8.380 nan 0.000 0.508 368 M N -0.420 119.102 119.600 -0.130 0.000 2.319 368 M HA 0.140 2.283 4.480 -3.896 0.000 0.265 368 M C 0.954 177.303 176.300 0.081 0.000 1.068 368 M CA 0.594 55.978 55.300 0.139 0.000 1.118 368 M CB -1.038 31.722 32.600 0.267 0.000 1.395 368 M HN 0.306 nan 8.290 nan 0.000 0.435 369 G N 0.163 109.018 108.800 0.091 0.000 2.634 369 G HA2 0.485 2.107 3.960 -3.896 0.000 0.255 369 G HA3 0.485 2.107 3.960 -3.896 0.000 0.255 369 G C 0.171 175.119 174.900 0.080 0.000 1.205 369 G CA 0.222 45.395 45.100 0.122 0.000 0.884 369 G HN 0.700 nan 8.290 nan 0.000 0.549 370 G N -1.093 107.742 108.800 0.058 0.000 2.491 370 G HA2 0.223 1.846 3.960 -3.896 0.000 0.183 370 G HA3 0.223 1.846 3.960 -3.896 0.000 0.183 370 G C -0.869 174.013 174.900 -0.030 0.000 1.221 370 G CA -0.688 44.429 45.100 0.028 0.000 0.996 370 G HN 0.783 nan 8.290 nan 0.000 0.474 371 I N 2.954 123.498 120.570 -0.045 0.000 2.452 371 I HA 0.275 2.108 4.170 -3.896 0.000 0.287 371 I C -2.053 174.014 176.117 -0.085 0.000 1.079 371 I CA -1.465 59.795 61.300 -0.067 0.000 1.387 371 I CB 1.332 39.297 38.000 -0.057 0.000 1.404 371 I HN 0.060 nan 8.210 nan 0.000 0.522 372 P HA 0.018 nan 4.420 nan 0.000 0.261 372 P C -0.849 176.396 177.300 -0.091 0.000 1.183 372 P CA 0.406 63.442 63.100 -0.106 0.000 0.761 372 P CB 0.425 32.071 31.700 -0.090 0.000 0.785 373 T N 2.080 116.575 114.554 -0.097 0.000 2.993 373 T HA 0.335 2.347 4.350 -3.896 0.000 0.312 373 T C -0.130 174.543 174.700 -0.045 0.000 1.115 373 T CA -0.825 61.227 62.100 -0.080 0.000 1.027 373 T CB 1.072 69.878 68.868 -0.104 0.000 1.116 373 T HN 0.341 nan 8.240 nan 0.000 0.464 374 N N 1.057 119.750 118.700 -0.011 0.000 2.374 374 N HA 0.141 2.543 4.740 -3.896 0.000 0.284 374 N C 1.139 176.723 175.510 0.123 0.000 1.280 374 N CA -0.827 52.262 53.050 0.065 0.000 0.963 374 N CB 0.012 38.531 38.487 0.053 0.000 1.141 374 N HN 0.803 nan 8.380 nan 0.000 0.565 375 Y N -1.952 118.395 120.300 0.079 0.000 2.439 375 Y HA 0.212 2.424 4.550 -3.897 0.000 0.292 375 Y C 1.437 177.378 175.900 0.068 0.000 1.130 375 Y CA 0.831 59.027 58.100 0.161 0.000 1.254 375 Y CB -0.068 38.436 38.460 0.072 0.000 1.000 375 Y HN 0.355 nan 8.280 nan 0.000 0.554 376 K N 0.334 120.340 120.400 -0.657 0.000 2.366 376 K HA 0.167 2.150 4.320 -3.896 0.000 0.198 376 K C 1.325 177.863 176.600 -0.104 0.000 1.044 376 K CA 0.796 56.748 56.287 -0.559 0.000 0.973 376 K CB -0.078 32.081 32.500 -0.567 0.000 0.767 376 K HN 0.653 nan 8.250 nan 0.000 0.475 377 G N 1.480 110.300 108.800 0.033 0.000 2.168 377 G HA2 -0.217 1.405 3.960 -3.896 0.000 0.197 377 G HA3 -0.217 1.405 3.960 -3.896 0.000 0.197 377 G C -0.401 174.594 174.900 0.158 0.000 0.997 377 G CA -0.439 44.756 45.100 0.158 0.000 0.658 377 G HN 0.288 nan 8.290 nan 0.000 0.513 378 Q N 0.420 120.211 119.800 -0.016 0.000 2.288 378 Q HA 0.552 2.555 4.340 -3.896 0.000 0.254 378 Q C 0.252 176.127 176.000 -0.208 0.000 0.932 378 Q CA -0.610 55.023 55.803 -0.283 0.000 0.902 378 Q CB 2.514 31.079 28.738 -0.289 0.000 1.203 378 Q HN 0.133 nan 8.270 nan 0.000 0.415 379 V N 4.516 124.274 119.914 -0.261 0.000 2.508 379 V HA 0.096 1.878 4.120 -3.896 0.000 0.281 379 V C 0.096 176.116 176.094 -0.124 0.000 1.041 379 V CA 0.057 62.263 62.300 -0.157 0.000 1.016 379 V CB 0.128 31.865 31.823 -0.142 0.000 0.984 379 V HN 0.552 nan 8.190 nan 0.000 0.478 380 L N 6.698 127.875 121.223 -0.077 0.000 2.317 380 L HA 0.690 2.692 4.340 -3.896 0.000 0.281 380 L C 0.302 177.168 176.870 -0.005 0.000 1.024 380 L CA -0.606 54.212 54.840 -0.036 0.000 0.810 380 L CB 1.439 43.492 42.059 -0.010 0.000 1.240 380 L HN 0.734 nan 8.230 nan 0.000 0.427 381 R N -0.115 120.399 120.500 0.025 0.000 2.828 381 R HA 0.530 2.533 4.340 -3.896 0.000 0.264 381 R C -0.939 175.451 176.300 0.150 0.000 1.022 381 R CA -0.937 55.211 56.100 0.081 0.000 1.021 381 R CB 1.264 31.604 30.300 0.066 0.000 1.163 381 R HN 0.461 nan 8.270 nan 0.000 0.494 382 H N 0.849 119.978 119.070 0.098 0.000 2.661 382 H HA 0.411 2.633 4.556 -3.890 0.000 0.290 382 H C -1.409 173.973 175.328 0.089 0.000 1.082 382 H CA -0.403 55.709 56.048 0.106 0.000 1.234 382 H CB 0.997 30.850 29.762 0.153 0.000 1.387 382 H HN 0.356 nan 8.280 nan 0.000 0.476 383 V N 6.060 125.864 119.914 -0.183 0.000 2.487 383 V HA 0.164 1.947 4.120 -3.896 0.000 0.298 383 V C 0.589 176.541 176.094 -0.237 0.000 1.028 383 V CA -0.937 61.269 62.300 -0.157 0.000 0.860 383 V CB 1.401 33.177 31.823 -0.078 0.000 0.991 383 V HN 1.123 nan 8.190 nan 0.000 0.427 384 N N 3.816 122.401 118.700 -0.191 0.000 2.740 384 N HA -0.218 2.185 4.740 -3.896 0.000 0.248 384 N C 1.032 176.421 175.510 -0.202 0.000 1.062 384 N CA 0.814 53.773 53.050 -0.151 0.000 0.704 384 N CB -0.544 37.881 38.487 -0.102 0.000 0.968 384 N HN 1.546 nan 8.380 nan 0.000 0.547 385 G N -0.822 107.772 108.800 -0.343 0.000 2.166 385 G HA2 -0.330 1.292 3.960 -3.896 0.000 0.260 385 G HA3 -0.330 1.292 3.960 -3.896 0.000 0.260 385 G C -0.022 174.703 174.900 -0.291 0.000 0.986 385 G CA 1.208 46.138 45.100 -0.284 0.000 0.683 385 G HN 0.658 nan 8.290 nan 0.000 0.527 386 Q N -0.933 118.631 119.800 -0.393 0.000 2.814 386 Q HA 0.577 2.579 4.340 -3.896 0.000 0.283 386 Q C -1.423 174.518 176.000 -0.099 0.000 1.071 386 Q CA -0.918 54.789 55.803 -0.160 0.000 0.849 386 Q CB 1.128 29.802 28.738 -0.107 0.000 1.437 386 Q HN 0.223 nan 8.270 nan 0.000 0.492 387 D N 1.371 121.772 120.400 0.003 0.000 2.381 387 D HA 0.228 2.531 4.640 -3.896 0.000 0.235 387 D C -1.233 175.074 176.300 0.011 0.000 1.068 387 D CA -0.227 53.802 54.000 0.049 0.000 0.832 387 D CB 1.314 42.163 40.800 0.081 0.000 1.101 387 D HN 0.141 nan 8.370 nan 0.000 0.515 388 Q N 1.637 121.440 119.800 0.005 0.000 2.342 388 Q HA 0.558 2.561 4.340 -3.896 0.000 0.267 388 Q C -1.211 174.775 176.000 -0.023 0.000 1.038 388 Q CA -0.984 54.810 55.803 -0.014 0.000 0.832 388 Q CB 1.816 30.541 28.738 -0.022 0.000 1.323 388 Q HN 0.255 nan 8.270 nan 0.000 0.448 389 V N 3.588 123.477 119.914 -0.042 0.000 2.461 389 V HA 0.185 1.968 4.120 -3.896 0.000 0.275 389 V C -0.145 175.895 176.094 -0.089 0.000 1.047 389 V CA -0.601 61.652 62.300 -0.079 0.000 0.955 389 V CB 1.287 33.053 31.823 -0.095 0.000 0.988 389 V HN 0.581 nan 8.190 nan 0.000 0.471 390 V N 8.003 127.850 119.914 -0.112 0.000 2.439 390 V HA 0.177 1.959 4.120 -3.896 0.000 0.271 390 V C -2.072 173.933 176.094 -0.147 0.000 1.040 390 V CA -1.503 60.733 62.300 -0.107 0.000 1.002 390 V CB 0.729 32.494 31.823 -0.097 0.000 1.000 390 V HN 0.779 nan 8.190 nan 0.000 0.477 391 P HA 0.215 nan 4.420 nan 0.000 0.266 391 P C 0.947 178.195 177.300 -0.087 0.000 1.215 391 P CA 1.048 64.094 63.100 -0.090 0.000 0.763 391 P CB 0.583 32.255 31.700 -0.047 0.000 0.806 392 G N 2.107 110.851 108.800 -0.093 0.000 2.155 392 G HA2 -0.243 1.379 3.960 -3.896 0.000 0.257 392 G HA3 -0.243 1.379 3.960 -3.896 0.000 0.257 392 G C -0.353 174.533 174.900 -0.024 0.000 0.983 392 G CA -0.202 44.898 45.100 -0.001 0.000 0.676 392 G HN 0.557 nan 8.290 nan 0.000 0.528 393 L N 0.509 121.605 121.223 -0.213 0.000 2.325 393 L HA 0.850 2.853 4.340 -3.896 0.000 0.281 393 L C -0.740 175.911 176.870 -0.365 0.000 1.004 393 L CA -1.883 52.855 54.840 -0.170 0.000 0.823 393 L CB 0.958 42.939 42.059 -0.130 0.000 1.236 393 L HN 0.123 nan 8.230 nan 0.000 0.415 394 Y N 3.191 123.448 120.300 -0.071 0.000 2.570 394 Y HA 0.876 3.089 4.550 -3.895 0.000 0.345 394 Y C -0.003 175.859 175.900 -0.062 0.000 1.014 394 Y CA -0.666 57.391 58.100 -0.071 0.000 1.063 394 Y CB 2.347 40.756 38.460 -0.085 0.000 1.272 394 Y HN 0.689 nan 8.280 nan 0.000 0.477 395 A N 1.012 123.895 122.820 0.105 0.000 2.488 395 A HA 0.810 2.793 4.320 -3.896 0.000 0.298 395 A C -1.193 176.417 177.584 0.044 0.000 1.044 395 A CA -0.673 51.389 52.037 0.041 0.000 0.693 395 A CB 0.383 19.377 19.000 -0.010 0.000 1.272 395 A HN 1.063 nan 8.150 nan 0.000 0.402 396 C N 0.110 119.437 119.300 0.044 0.000 3.090 396 C HA 1.045 3.168 4.460 -3.896 0.000 0.305 396 C C 0.839 175.864 174.990 0.059 0.000 1.292 396 C CA 0.080 59.136 59.018 0.065 0.000 1.482 396 C CB 0.926 28.746 27.740 0.133 0.000 1.897 396 C HN 2.993 nan 8.230 nan 0.000 0.469 397 G N 0.904 109.754 108.800 0.084 0.000 2.527 397 G HA2 -0.180 1.442 3.960 -3.896 0.000 0.227 397 G HA3 -0.180 1.442 3.960 -3.896 0.000 0.227 397 G C 0.409 175.359 174.900 0.083 0.000 1.291 397 G CA 0.697 45.862 45.100 0.110 0.000 0.904 397 G HN 1.181 nan 8.290 nan 0.000 0.577 398 E N -0.040 120.194 120.200 0.056 0.000 2.152 398 E HA 0.147 2.159 4.350 -3.896 0.000 0.192 398 E C 2.838 179.380 176.600 -0.096 0.000 0.983 398 E CA 1.541 57.903 56.400 -0.064 0.000 0.818 398 E CB -0.310 29.302 29.700 -0.145 0.000 0.758 398 E HN 0.887 nan 8.360 nan 0.000 0.467 399 A N 1.015 123.813 122.820 -0.037 0.000 2.015 399 A HA 0.159 2.142 4.320 -3.896 0.000 0.219 399 A C 1.314 178.887 177.584 -0.018 0.000 1.163 399 A CA 0.917 52.945 52.037 -0.015 0.000 0.646 399 A CB -0.313 18.683 19.000 -0.006 0.000 0.806 399 A HN 0.324 nan 8.150 nan 0.000 0.448 400 A N -1.793 121.012 122.820 -0.025 0.000 2.272 400 A HA 0.456 2.438 4.320 -3.896 0.000 0.275 400 A C 0.135 177.683 177.584 -0.060 0.000 1.096 400 A CA 0.294 52.302 52.037 -0.049 0.000 0.822 400 A CB 0.261 19.223 19.000 -0.063 0.000 1.088 400 A HN 0.884 nan 8.150 nan 0.000 0.495 401 C N 0.899 120.142 119.300 -0.095 0.000 3.493 401 C HA 0.570 2.693 4.460 -3.896 0.000 0.228 401 C C 1.226 176.115 174.990 -0.168 0.000 1.227 401 C CA -0.104 58.851 59.018 -0.106 0.000 1.291 401 C CB -0.874 26.816 27.740 -0.083 0.000 1.820 401 C HN 1.051 nan 8.230 nan 0.000 0.547 402 A N 1.675 124.351 122.820 -0.241 0.000 2.239 402 A HA 0.213 2.195 4.320 -3.896 0.000 0.209 402 A C 1.474 178.954 177.584 -0.174 0.000 1.171 402 A CA 1.283 53.167 52.037 -0.254 0.000 0.768 402 A CB -0.350 18.329 19.000 -0.535 0.000 0.790 402 A HN 1.814 nan 8.150 nan 0.000 0.478 403 S N -1.949 113.654 115.700 -0.160 0.000 3.550 403 S HA -0.146 1.987 4.470 -3.896 0.000 0.372 403 S C 0.752 175.308 174.600 -0.073 0.000 0.966 403 S CA 0.584 58.732 58.200 -0.087 0.000 1.229 403 S CB -1.624 61.522 63.200 -0.090 0.000 0.917 403 S HN 1.033 nan 8.310 nan 0.000 0.496 404 V N 1.818 121.620 119.914 -0.188 0.000 3.406 404 V HA 0.074 1.857 4.120 -3.896 0.000 0.263 404 V C 1.695 177.585 176.094 -0.340 0.000 1.172 404 V CA 1.510 63.671 62.300 -0.232 0.000 1.140 404 V CB -0.155 31.526 31.823 -0.236 0.000 0.784 404 V HN 0.835 nan 8.190 nan 0.000 0.467 405 H N -0.760 118.308 119.070 -0.004 0.000 2.681 405 H HA 0.372 2.590 4.556 -3.898 0.000 0.268 405 H C 1.654 176.950 175.328 -0.053 0.000 0.967 405 H CA 0.743 56.781 56.048 -0.016 0.000 1.233 405 H CB 0.530 30.321 29.762 0.048 0.000 1.445 405 H HN 0.459 nan 8.280 nan 0.000 0.494 406 G N 1.315 110.134 108.800 0.033 0.000 2.565 406 G HA2 -0.412 1.211 3.960 -3.896 0.000 0.295 406 G HA3 -0.412 1.211 3.960 -3.896 0.000 0.295 406 G C 1.356 176.111 174.900 -0.242 0.000 1.165 406 G CA 1.497 46.553 45.100 -0.073 0.000 0.977 406 G HN 0.585 nan 8.290 nan 0.000 0.546 407 A N 0.123 122.783 122.820 -0.268 0.000 2.081 407 A HA 0.426 2.408 4.320 -3.896 0.000 0.214 407 A C 1.026 178.637 177.584 0.045 0.000 1.158 407 A CA 1.775 53.611 52.037 -0.335 0.000 0.724 407 A CB -0.106 18.845 19.000 -0.082 0.000 0.826 407 A HN 1.181 nan 8.150 nan 0.000 0.463 408 N N -0.279 118.451 118.700 0.049 0.000 2.537 408 N HA 0.128 2.530 4.740 -3.896 0.000 0.281 408 N C -1.186 174.368 175.510 0.073 0.000 1.097 408 N CA -0.500 52.609 53.050 0.100 0.000 0.964 408 N CB 1.279 39.830 38.487 0.106 0.000 1.588 408 N HN 0.316 nan 8.380 nan 0.000 0.511 409 R N 4.075 124.606 120.500 0.052 0.000 2.442 409 R HA 0.213 2.216 4.340 -3.896 0.000 0.291 409 R C -0.438 175.856 176.300 -0.010 0.000 1.069 409 R CA -0.230 55.847 56.100 -0.037 0.000 1.022 409 R CB 0.639 30.640 30.300 -0.497 0.000 0.976 409 R HN 0.547 nan 8.270 nan 0.000 0.443 410 L N 4.045 125.298 121.223 0.050 0.000 2.397 410 L HA 0.316 2.318 4.340 -3.896 0.000 0.271 410 L C 0.498 177.415 176.870 0.078 0.000 1.148 410 L CA 0.040 54.914 54.840 0.056 0.000 0.825 410 L CB 0.948 43.052 42.059 0.074 0.000 1.117 410 L HN 0.883 nan 8.230 nan 0.000 0.456 411 G N 3.401 112.288 108.800 0.145 0.000 2.353 411 G HA2 0.330 1.952 3.960 -3.896 0.000 0.239 411 G HA3 0.330 1.952 3.960 -3.896 0.000 0.239 411 G C 0.703 175.728 174.900 0.209 0.000 1.295 411 G CA 0.260 45.538 45.100 0.296 0.000 0.884 411 G HN 1.567 nan 8.290 nan 0.000 0.537 412 A N 1.827 124.678 122.820 0.050 0.000 2.905 412 A HA -0.174 1.808 4.320 -3.896 0.000 0.260 412 A C 1.505 179.065 177.584 -0.040 0.000 1.398 412 A CA 1.218 53.155 52.037 -0.166 0.000 0.840 412 A CB -1.772 16.844 19.000 -0.640 0.000 1.059 412 A HN 0.651 nan 8.150 nan 0.000 0.647 413 N N -0.952 117.777 118.700 0.049 0.000 2.294 413 N HA 0.130 2.532 4.740 -3.896 0.000 0.186 413 N C 1.624 177.260 175.510 0.211 0.000 1.107 413 N CA 1.035 54.185 53.050 0.166 0.000 0.884 413 N CB 0.254 38.892 38.487 0.251 0.000 1.030 413 N HN 0.575 nan 8.380 nan 0.000 0.482 414 S N 0.264 116.002 115.700 0.063 0.000 2.414 414 S HA 0.156 2.289 4.470 -3.896 0.000 0.227 414 S C 1.730 176.418 174.600 0.147 0.000 1.022 414 S CA 0.489 58.734 58.200 0.075 0.000 0.958 414 S CB -0.032 63.068 63.200 -0.166 0.000 0.797 414 S HN 0.198 nan 8.310 nan 0.000 0.493 415 L N 0.779 122.060 121.223 0.098 0.000 2.141 415 L HA -0.028 1.975 4.340 -3.896 0.000 0.209 415 L C 2.382 179.330 176.870 0.131 0.000 1.094 415 L CA 0.686 55.589 54.840 0.106 0.000 0.763 415 L CB -0.451 41.650 42.059 0.070 0.000 0.908 415 L HN 0.351 nan 8.230 nan 0.000 0.437 416 L N 0.451 121.754 121.223 0.133 0.000 2.056 416 L HA -0.215 1.788 4.340 -3.896 0.000 0.207 416 L C 2.063 179.055 176.870 0.203 0.000 1.078 416 L CA 1.922 56.847 54.840 0.143 0.000 0.749 416 L CB -0.516 41.629 42.059 0.145 0.000 0.901 416 L HN 0.227 nan 8.230 nan 0.000 0.433 417 D N -0.981 119.586 120.400 0.279 0.000 2.149 417 D HA -0.223 2.079 4.640 -3.896 0.000 0.198 417 D C 2.003 178.535 176.300 0.386 0.000 0.990 417 D CA 1.361 55.607 54.000 0.410 0.000 0.839 417 D CB 0.031 41.079 40.800 0.414 0.000 0.948 417 D HN 0.223 nan 8.370 nan 0.000 0.460 418 L N 0.026 121.408 121.223 0.265 0.000 1.988 418 L HA -0.084 1.918 4.340 -3.896 0.000 0.207 418 L C 2.686 179.676 176.870 0.201 0.000 1.071 418 L CA 1.032 56.002 54.840 0.218 0.000 0.744 418 L CB -1.122 41.041 42.059 0.173 0.000 0.893 418 L HN 0.075 nan 8.230 nan 0.000 0.433 419 V N -1.470 118.547 119.914 0.172 0.000 2.453 419 V HA -0.180 1.602 4.120 -3.896 0.000 0.247 419 V C 2.409 178.562 176.094 0.097 0.000 1.048 419 V CA 1.029 63.416 62.300 0.145 0.000 1.049 419 V CB -0.266 31.638 31.823 0.135 0.000 0.672 419 V HN 0.210 nan 8.190 nan 0.000 0.457 420 V N -0.824 119.127 119.914 0.063 0.000 2.283 420 V HA -0.156 1.626 4.120 -3.896 0.000 0.243 420 V C 2.124 178.185 176.094 -0.055 0.000 1.039 420 V CA 2.045 64.298 62.300 -0.079 0.000 1.016 420 V CB -0.652 31.030 31.823 -0.235 0.000 0.650 420 V HN 0.451 nan 8.190 nan 0.000 0.449 421 F N 1.088 121.119 119.950 0.134 0.000 2.456 421 F HA 0.107 2.298 4.527 -3.893 0.000 0.298 421 F C 2.311 178.152 175.800 0.069 0.000 1.104 421 F CA 1.056 59.133 58.000 0.128 0.000 1.435 421 F CB -0.760 38.310 39.000 0.117 0.000 1.078 421 F HN 0.200 nan 8.300 nan 0.000 0.546 422 G N -0.022 108.905 108.800 0.212 0.000 2.402 422 G HA2 -0.246 1.376 3.960 -3.896 0.000 0.216 422 G HA3 -0.246 1.376 3.960 -3.896 0.000 0.216 422 G C 1.742 176.655 174.900 0.022 0.000 1.162 422 G CA 0.552 45.716 45.100 0.107 0.000 0.777 422 G HN 0.249 nan 8.290 nan 0.000 0.539 423 R N 0.561 121.074 120.500 0.022 0.000 2.092 423 R HA 0.089 2.091 4.340 -3.896 0.000 0.231 423 R C 2.755 179.032 176.300 -0.038 0.000 1.119 423 R CA 1.381 57.459 56.100 -0.038 0.000 0.970 423 R CB -0.349 29.942 30.300 -0.016 0.000 0.864 423 R HN 0.265 nan 8.270 nan 0.000 0.440 424 A N 0.290 123.125 122.820 0.024 0.000 1.969 424 A HA -0.139 1.843 4.320 -3.896 0.000 0.218 424 A C 2.394 179.933 177.584 -0.075 0.000 1.169 424 A CA 1.364 53.407 52.037 0.009 0.000 0.635 424 A CB -0.802 18.230 19.000 0.053 0.000 0.810 424 A HN 0.567 nan 8.150 nan 0.000 0.445 425 C N -1.135 118.128 119.300 -0.061 0.000 2.425 425 C HA 0.064 2.187 4.460 -3.896 0.000 0.277 425 C C 3.293 178.056 174.990 -0.380 0.000 1.280 425 C CA 0.838 59.738 59.018 -0.196 0.000 1.744 425 C CB -1.191 26.480 27.740 -0.116 0.000 1.989 425 C HN 0.703 nan 8.230 nan 0.000 0.491 426 A N -0.003 122.649 122.820 -0.280 0.000 1.929 426 A HA -0.027 1.956 4.320 -3.896 0.000 0.216 426 A C 2.052 179.466 177.584 -0.284 0.000 1.176 426 A CA 1.240 53.084 52.037 -0.322 0.000 0.628 426 A CB -0.497 18.337 19.000 -0.276 0.000 0.816 426 A HN 0.599 nan 8.150 nan 0.000 0.444 427 L N -0.544 120.560 121.223 -0.198 0.000 2.156 427 L HA -0.091 1.912 4.340 -3.896 0.000 0.208 427 L C 2.673 179.451 176.870 -0.154 0.000 1.095 427 L CA 1.137 55.893 54.840 -0.139 0.000 0.770 427 L CB -0.257 41.754 42.059 -0.079 0.000 0.914 427 L HN 0.285 nan 8.230 nan 0.000 0.439 428 S N -0.021 115.553 115.700 -0.209 0.000 2.406 428 S HA -0.036 2.096 4.470 -3.896 0.000 0.228 428 S C 1.931 176.409 174.600 -0.204 0.000 1.020 428 S CA 0.994 59.089 58.200 -0.176 0.000 0.965 428 S CB -0.104 63.026 63.200 -0.117 0.000 0.798 428 S HN 0.297 nan 8.310 nan 0.000 0.488 429 I N 1.547 121.877 120.570 -0.401 0.000 2.286 429 I HA -0.093 1.740 4.170 -3.896 0.000 0.245 429 I C 2.621 178.602 176.117 -0.226 0.000 1.104 429 I CA 0.908 61.957 61.300 -0.418 0.000 1.397 429 I CB -0.429 37.135 38.000 -0.726 0.000 1.072 429 I HN 0.232 nan 8.210 nan 0.000 0.417 430 A N 0.428 123.151 122.820 -0.161 0.000 2.019 430 A HA -0.198 1.785 4.320 -3.896 0.000 0.219 430 A C 2.160 179.797 177.584 0.088 0.000 1.164 430 A CA 1.665 53.767 52.037 0.107 0.000 0.644 430 A CB -0.433 18.616 19.000 0.081 0.000 0.805 430 A HN 0.482 nan 8.150 nan 0.000 0.449 431 E N -0.392 119.815 120.200 0.013 0.000 2.127 431 E HA -0.071 1.942 4.350 -3.896 0.000 0.191 431 E C 2.325 178.941 176.600 0.027 0.000 0.964 431 E CA 0.906 57.315 56.400 0.015 0.000 0.832 431 E CB -0.037 29.657 29.700 -0.010 0.000 0.790 431 E HN 0.745 nan 8.360 nan 0.000 0.465 432 S N 0.251 115.966 115.700 0.024 0.000 2.406 432 S HA -0.051 2.082 4.470 -3.896 0.000 0.228 432 S C 1.150 175.785 174.600 0.058 0.000 1.020 432 S CA 0.410 58.633 58.200 0.038 0.000 0.965 432 S CB -0.556 62.676 63.200 0.053 0.000 0.798 432 S HN 0.403 nan 8.310 nan 0.000 0.488 433 C N 0.069 119.423 119.300 0.091 0.000 3.291 433 C HA 0.843 2.966 4.460 -3.896 0.000 0.316 433 C C -0.790 174.332 174.990 0.219 0.000 1.391 433 C CA -1.358 57.737 59.018 0.130 0.000 1.394 433 C CB 1.460 29.279 27.740 0.131 0.000 1.744 433 C HN 0.307 nan 8.230 nan 0.000 0.461 434 R N 0.546 121.131 120.500 0.141 0.000 2.668 434 R HA 0.601 2.604 4.340 -3.896 0.000 0.279 434 R C -2.971 173.259 176.300 -0.117 0.000 0.976 434 R CA -1.854 54.257 56.100 0.018 0.000 0.978 434 R CB 0.925 31.204 30.300 -0.035 0.000 1.133 434 R HN 0.518 nan 8.270 nan 0.000 0.484 435 P HA 0.130 nan 4.420 nan 0.000 0.270 435 P C 0.470 177.626 177.300 -0.241 0.000 1.242 435 P CA 0.545 63.272 63.100 -0.623 0.000 0.768 435 P CB 0.470 31.633 31.700 -0.894 0.000 0.820 436 G N 2.125 110.859 108.800 -0.109 0.000 2.192 436 G HA2 -0.151 1.471 3.960 -3.896 0.000 0.193 436 G HA3 -0.151 1.471 3.960 -3.896 0.000 0.193 436 G C -0.108 174.779 174.900 -0.022 0.000 0.999 436 G CA -0.558 44.507 45.100 -0.059 0.000 0.659 436 G HN 0.429 nan 8.290 nan 0.000 0.503 437 D N 0.572 120.974 120.400 0.004 0.000 2.360 437 D HA 0.338 2.640 4.640 -3.896 0.000 0.242 437 D C 0.787 177.105 176.300 0.029 0.000 1.184 437 D CA -0.103 53.911 54.000 0.023 0.000 0.930 437 D CB 0.613 41.442 40.800 0.049 0.000 1.161 437 D HN 0.273 nan 8.370 nan 0.000 0.447 438 K N 0.926 121.340 120.400 0.023 0.000 2.430 438 K HA 0.043 2.026 4.320 -3.896 0.000 0.280 438 K C -0.911 175.707 176.600 0.030 0.000 1.063 438 K CA -0.173 56.127 56.287 0.020 0.000 1.071 438 K CB 0.113 32.622 32.500 0.015 0.000 0.899 438 K HN 0.126 nan 8.250 nan 0.000 0.473 439 V N 8.447 128.379 119.914 0.030 0.000 2.439 439 V HA 0.108 1.891 4.120 -3.896 0.000 0.271 439 V C -1.696 174.415 176.094 0.028 0.000 1.040 439 V CA -1.467 60.856 62.300 0.037 0.000 1.002 439 V CB 0.572 32.418 31.823 0.039 0.000 1.000 439 V HN 0.833 nan 8.190 nan 0.000 0.477 440 P HA 0.099 nan 4.420 nan 0.000 0.267 440 P C -0.085 177.226 177.300 0.018 0.000 1.209 440 P CA 0.013 63.125 63.100 0.020 0.000 0.763 440 P CB 0.581 32.292 31.700 0.019 0.000 0.816 441 S N 3.472 119.180 115.700 0.013 0.000 2.528 441 S HA 0.321 2.454 4.470 -3.896 0.000 0.277 441 S C 0.182 174.788 174.600 0.010 0.000 1.297 441 S CA -0.719 57.488 58.200 0.012 0.000 1.052 441 S CB 0.339 63.543 63.200 0.008 0.000 0.917 441 S HN 0.409 nan 8.310 nan 0.000 0.492 442 I N 1.892 122.469 120.570 0.012 0.000 2.566 442 I HA 0.355 2.188 4.170 -3.896 0.000 0.303 442 I C 0.280 176.401 176.117 0.007 0.000 0.983 442 I CA -0.745 60.561 61.300 0.010 0.000 1.235 442 I CB 1.093 39.100 38.000 0.013 0.000 1.386 442 I HN 0.688 nan 8.210 nan 0.000 0.494 443 K N 6.768 127.171 120.400 0.005 0.000 2.414 443 K HA 0.111 2.093 4.320 -3.896 0.000 0.272 443 K C -1.732 174.871 176.600 0.005 0.000 0.993 443 K CA -0.899 55.391 56.287 0.004 0.000 0.964 443 K CB 0.192 32.693 32.500 0.003 0.000 0.925 443 K HN 0.418 nan 8.250 nan 0.000 0.487 444 P HA -0.091 nan 4.420 nan 0.000 0.217 444 P C -0.068 177.236 177.300 0.006 0.000 1.150 444 P CA 1.181 64.285 63.100 0.005 0.000 0.832 444 P CB 0.280 31.983 31.700 0.005 0.000 0.787 445 N N -0.453 118.250 118.700 0.005 0.000 2.451 445 N HA 0.263 2.665 4.740 -3.896 0.000 0.264 445 N C -0.163 175.350 175.510 0.004 0.000 1.167 445 N CA -0.065 52.989 53.050 0.006 0.000 0.898 445 N CB 0.044 38.535 38.487 0.006 0.000 1.176 445 N HN 0.049 nan 8.380 nan 0.000 0.507 446 A N -0.827 121.995 122.820 0.003 0.000 2.305 446 A HA 0.656 2.639 4.320 -3.896 0.000 0.322 446 A C 1.250 178.834 177.584 -0.000 0.000 1.187 446 A CA 0.000 52.038 52.037 0.002 0.000 0.825 446 A CB 0.470 19.471 19.000 0.002 0.000 1.164 446 A HN 0.325 nan 8.150 nan 0.000 0.498 447 G N 1.162 109.960 108.800 -0.003 0.000 2.148 447 G HA2 -0.265 1.357 3.960 -3.896 0.000 0.254 447 G HA3 -0.265 1.357 3.960 -3.896 0.000 0.254 447 G C 0.645 175.536 174.900 -0.014 0.000 0.981 447 G CA 0.820 45.916 45.100 -0.008 0.000 0.670 447 G HN 0.882 nan 8.290 nan 0.000 0.528 448 E N -0.111 120.084 120.200 -0.009 0.000 2.208 448 E HA -0.006 2.007 4.350 -3.896 0.000 0.193 448 E C 2.125 178.717 176.600 -0.013 0.000 0.988 448 E CA 0.984 57.379 56.400 -0.010 0.000 0.828 448 E CB -0.026 29.676 29.700 0.004 0.000 0.763 448 E HN 0.753 nan 8.360 nan 0.000 0.478 449 E N -0.276 119.919 120.200 -0.009 0.000 2.208 449 E HA -0.083 1.929 4.350 -3.896 0.000 0.193 449 E C 1.952 178.543 176.600 -0.015 0.000 0.988 449 E CA 0.816 57.212 56.400 -0.008 0.000 0.828 449 E CB 0.196 29.894 29.700 -0.002 0.000 0.763 449 E HN 0.091 nan 8.360 nan 0.000 0.478 450 S N 0.353 116.040 115.700 -0.021 0.000 2.406 450 S HA -0.078 2.054 4.470 -3.896 0.000 0.228 450 S C 2.132 176.696 174.600 -0.059 0.000 1.020 450 S CA 0.557 58.741 58.200 -0.026 0.000 0.965 450 S CB 0.105 63.294 63.200 -0.019 0.000 0.798 450 S HN 0.058 nan 8.310 nan 0.000 0.488 451 V N 1.908 121.770 119.914 -0.087 0.000 2.407 451 V HA -0.049 1.734 4.120 -3.896 0.000 0.245 451 V C 2.362 178.373 176.094 -0.138 0.000 1.041 451 V CA 1.161 63.353 62.300 -0.180 0.000 1.040 451 V CB -0.512 31.195 31.823 -0.193 0.000 0.671 451 V HN 0.442 nan 8.190 nan 0.000 0.455 452 M N 0.385 119.954 119.600 -0.052 0.000 2.159 452 M HA -0.196 1.946 4.480 -3.896 0.000 0.263 452 M C 2.223 178.520 176.300 -0.006 0.000 1.063 452 M CA 1.698 56.996 55.300 -0.005 0.000 1.110 452 M CB -1.372 31.233 32.600 0.009 0.000 1.374 452 M HN 0.556 nan 8.290 nan 0.000 0.411 453 N N 0.693 119.380 118.700 -0.021 0.000 2.166 453 N HA -0.181 2.222 4.740 -3.896 0.000 0.186 453 N C 1.810 177.302 175.510 -0.030 0.000 1.019 453 N CA 1.057 54.096 53.050 -0.018 0.000 0.856 453 N CB 0.052 38.532 38.487 -0.013 0.000 0.993 453 N HN 0.211 nan 8.380 nan 0.000 0.426 454 L N 1.520 122.705 121.223 -0.062 0.000 2.093 454 L HA -0.087 1.916 4.340 -3.896 0.000 0.208 454 L C 1.887 178.718 176.870 -0.065 0.000 1.085 454 L CA 1.802 56.586 54.840 -0.092 0.000 0.755 454 L CB -0.831 41.129 42.059 -0.166 0.000 0.904 454 L HN 0.086 nan 8.230 nan 0.000 0.435 455 D N -0.630 119.760 120.400 -0.017 0.000 2.178 455 D HA -0.226 2.077 4.640 -3.896 0.000 0.202 455 D C 2.207 178.607 176.300 0.167 0.000 0.974 455 D CA 1.111 55.199 54.000 0.146 0.000 0.841 455 D CB -0.016 40.937 40.800 0.254 0.000 0.953 455 D HN 0.327 nan 8.370 nan 0.000 0.478 456 K N -0.339 120.117 120.400 0.093 0.000 2.025 456 K HA -0.113 1.869 4.320 -3.896 0.000 0.207 456 K C 1.866 178.496 176.600 0.051 0.000 1.049 456 K CA 0.751 57.088 56.287 0.083 0.000 0.933 456 K CB -0.087 32.434 32.500 0.034 0.000 0.714 456 K HN 0.128 nan 8.250 nan 0.000 0.438 457 L N 1.249 122.471 121.223 -0.002 0.000 2.291 457 L HA -0.020 1.983 4.340 -3.896 0.000 0.214 457 L C 2.470 179.297 176.870 -0.072 0.000 1.120 457 L CA 1.048 55.868 54.840 -0.033 0.000 0.799 457 L CB -0.469 41.559 42.059 -0.051 0.000 0.925 457 L HN 0.143 nan 8.230 nan 0.000 0.446 458 R N -0.417 120.007 120.500 -0.125 0.000 2.090 458 R HA -0.057 1.945 4.340 -3.896 0.000 0.228 458 R C 0.854 176.892 176.300 -0.436 0.000 1.110 458 R CA 1.301 57.213 56.100 -0.313 0.000 0.973 458 R CB -0.110 29.937 30.300 -0.422 0.000 0.869 458 R HN 0.328 nan 8.270 nan 0.000 0.440 459 F N 0.554 120.507 119.950 0.005 0.000 2.850 459 F HA 0.402 2.591 4.527 -3.896 0.000 0.306 459 F C 0.430 176.209 175.800 -0.035 0.000 1.162 459 F CA -0.625 57.365 58.000 -0.016 0.000 1.327 459 F CB 0.538 39.532 39.000 -0.009 0.000 0.953 459 F HN -0.080 nan 8.300 nan 0.000 0.507 460 A N 1.390 124.251 122.820 0.069 0.000 2.492 460 A HA 0.180 2.162 4.320 -3.896 0.000 0.254 460 A C 0.203 177.786 177.584 -0.002 0.000 1.091 460 A CA -0.004 52.050 52.037 0.028 0.000 0.768 460 A CB 0.032 19.034 19.000 0.003 0.000 1.028 460 A HN 0.470 nan 8.150 nan 0.000 0.498 461 N N 2.277 120.973 118.700 -0.007 0.000 2.617 461 N HA 0.443 2.846 4.740 -3.896 0.000 0.263 461 N C -0.029 175.473 175.510 -0.014 0.000 1.074 461 N CA 0.212 53.242 53.050 -0.032 0.000 0.841 461 N CB 1.401 39.867 38.487 -0.034 0.000 1.221 461 N HN 0.806 nan 8.380 nan 0.000 0.529 462 G N -0.152 108.651 108.800 0.006 0.000 3.247 462 G HA2 0.207 1.829 3.960 -3.896 0.000 0.199 462 G HA3 0.207 1.829 3.960 -3.896 0.000 0.199 462 G C 0.199 175.144 174.900 0.074 0.000 1.172 462 G CA 0.105 45.236 45.100 0.052 0.000 0.844 462 G HN 0.258 nan 8.290 nan 0.000 0.619 463 T N -1.012 113.609 114.554 0.111 0.000 2.964 463 T HA 0.358 2.370 4.350 -3.896 0.000 0.249 463 T C 0.487 175.232 174.700 0.074 0.000 1.000 463 T CA -0.024 62.126 62.100 0.084 0.000 0.992 463 T CB -0.208 68.701 68.868 0.069 0.000 1.087 463 T HN 0.257 nan 8.240 nan 0.000 0.489 464 I N 2.057 122.675 120.570 0.081 0.000 2.460 464 I HA 0.519 2.351 4.170 -3.896 0.000 0.298 464 I C 0.329 176.495 176.117 0.083 0.000 0.989 464 I CA -1.124 60.218 61.300 0.070 0.000 1.173 464 I CB 1.734 39.767 38.000 0.056 0.000 1.338 464 I HN -0.041 nan 8.210 nan 0.000 0.456 465 R N 2.308 122.861 120.500 0.088 0.000 2.580 465 R HA 0.305 2.307 4.340 -3.896 0.000 0.267 465 R C 0.829 177.173 176.300 0.073 0.000 1.125 465 R CA -0.254 55.907 56.100 0.101 0.000 1.188 465 R CB 1.039 31.406 30.300 0.111 0.000 1.155 465 R HN 0.730 nan 8.270 nan 0.000 0.586 466 T N -0.040 114.556 114.554 0.070 0.000 2.708 466 T HA -0.193 1.820 4.350 -3.896 0.000 0.266 466 T C 1.817 176.547 174.700 0.050 0.000 1.037 466 T CA 1.990 64.120 62.100 0.049 0.000 1.146 466 T CB -0.285 68.608 68.868 0.041 0.000 0.865 466 T HN 0.759 nan 8.240 nan 0.000 0.435 467 S N 1.875 117.607 115.700 0.052 0.000 2.368 467 S HA -0.114 2.019 4.470 -3.896 0.000 0.225 467 S C 1.930 176.566 174.600 0.059 0.000 1.030 467 S CA 1.016 59.249 58.200 0.055 0.000 0.999 467 S CB -0.459 62.768 63.200 0.045 0.000 0.844 467 S HN 0.570 nan 8.310 nan 0.000 0.459 468 E N 0.667 120.899 120.200 0.054 0.000 2.072 468 E HA -0.021 1.992 4.350 -3.896 0.000 0.191 468 E C 1.981 178.611 176.600 0.049 0.000 0.985 468 E CA 1.027 57.457 56.400 0.050 0.000 0.801 468 E CB -0.249 29.478 29.700 0.045 0.000 0.750 468 E HN 0.374 nan 8.360 nan 0.000 0.452 469 L N 0.995 122.247 121.223 0.048 0.000 2.217 469 L HA -0.066 1.936 4.340 -3.896 0.000 0.211 469 L C 2.233 179.133 176.870 0.050 0.000 1.107 469 L CA 1.321 56.188 54.840 0.045 0.000 0.783 469 L CB -0.148 41.934 42.059 0.038 0.000 0.919 469 L HN -0.075 nan 8.230 nan 0.000 0.442 470 R N -1.088 119.447 120.500 0.058 0.000 2.073 470 R HA -0.136 1.867 4.340 -3.896 0.000 0.229 470 R C 2.205 178.558 176.300 0.089 0.000 1.120 470 R CA 1.524 57.666 56.100 0.070 0.000 0.967 470 R CB -0.343 30.002 30.300 0.074 0.000 0.862 470 R HN 0.336 nan 8.270 nan 0.000 0.436 471 L N 0.615 121.894 121.223 0.093 0.000 2.083 471 L HA -0.098 1.904 4.340 -3.896 0.000 0.209 471 L C 1.955 178.867 176.870 0.070 0.000 1.083 471 L CA 1.727 56.633 54.840 0.109 0.000 0.752 471 L CB -0.239 41.877 42.059 0.094 0.000 0.899 471 L HN 0.046 nan 8.230 nan 0.000 0.433 472 S N -0.969 114.763 115.700 0.052 0.000 2.423 472 S HA -0.157 1.975 4.470 -3.896 0.000 0.231 472 S C 1.854 176.483 174.600 0.048 0.000 1.014 472 S CA 1.549 59.772 58.200 0.039 0.000 0.965 472 S CB -0.278 62.945 63.200 0.038 0.000 0.785 472 S HN 0.537 nan 8.310 nan 0.000 0.495 473 M N 1.060 120.695 119.600 0.057 0.000 2.160 473 M HA -0.075 2.068 4.480 -3.896 0.000 0.264 473 M C 2.033 178.360 176.300 0.045 0.000 1.073 473 M CA 1.312 56.643 55.300 0.051 0.000 1.142 473 M CB -0.168 32.463 32.600 0.051 0.000 1.358 473 M HN 0.217 nan 8.290 nan 0.000 0.422 474 Q N 0.077 119.929 119.800 0.087 0.000 2.119 474 Q HA -0.143 1.859 4.340 -3.896 0.000 0.201 474 Q C 1.956 178.051 176.000 0.158 0.000 0.972 474 Q CA 1.235 57.125 55.803 0.146 0.000 0.847 474 Q CB 0.025 28.922 28.738 0.264 0.000 0.903 474 Q HN 0.357 nan 8.270 nan 0.000 0.433 475 K N 0.022 120.465 120.400 0.072 0.000 2.103 475 K HA 0.034 2.016 4.320 -3.896 0.000 0.204 475 K C 2.159 178.756 176.600 -0.005 0.000 1.052 475 K CA 0.774 57.035 56.287 -0.043 0.000 0.945 475 K CB -0.041 32.362 32.500 -0.160 0.000 0.722 475 K HN 0.034 nan 8.250 nan 0.000 0.443 476 S N 1.052 116.776 115.700 0.040 0.000 2.383 476 S HA -0.033 2.100 4.470 -3.896 0.000 0.227 476 S C 1.904 176.606 174.600 0.170 0.000 1.026 476 S CA 0.967 59.243 58.200 0.126 0.000 0.981 476 S CB -0.022 63.267 63.200 0.148 0.000 0.818 476 S HN 0.192 nan 8.310 nan 0.000 0.472 477 M N 0.880 120.507 119.600 0.045 0.000 2.254 477 M HA 0.024 2.167 4.480 -3.896 0.000 0.265 477 M C 2.245 178.622 176.300 0.128 0.000 1.066 477 M CA 1.184 56.442 55.300 -0.071 0.000 1.123 477 M CB -1.201 31.094 32.600 -0.508 0.000 1.388 477 M HN 0.247 nan 8.290 nan 0.000 0.425 478 Q N 0.804 120.730 119.800 0.211 0.000 2.079 478 Q HA -0.088 1.915 4.340 -3.896 0.000 0.200 478 Q C 2.108 178.230 176.000 0.202 0.000 0.974 478 Q CA 2.513 58.531 55.803 0.357 0.000 0.840 478 Q CB -0.195 28.737 28.738 0.324 0.000 0.898 478 Q HN 0.566 nan 8.270 nan 0.000 0.430 479 S N -1.714 114.008 115.700 0.036 0.000 2.395 479 S HA -0.079 2.054 4.470 -3.896 0.000 0.225 479 S C 1.569 176.095 174.600 -0.125 0.000 1.027 479 S CA 0.986 59.125 58.200 -0.103 0.000 0.965 479 S CB -0.483 62.557 63.200 -0.266 0.000 0.812 479 S HN 0.561 nan 8.310 nan 0.000 0.482 480 H N 1.889 121.006 119.070 0.079 0.000 2.320 480 H HA 0.489 2.708 4.556 -3.895 0.000 0.309 480 H C 1.606 176.996 175.328 0.103 0.000 1.057 480 H CA 0.798 56.883 56.048 0.063 0.000 1.374 480 H CB -0.161 29.619 29.762 0.030 0.000 1.421 480 H HN 0.521 nan 8.280 nan 0.000 0.532 481 A N 1.291 124.292 122.820 0.301 0.000 3.197 481 A HA 0.566 2.549 4.320 -3.896 0.000 0.263 481 A C 0.767 178.609 177.584 0.429 0.000 1.524 481 A CA 0.177 52.414 52.037 0.332 0.000 1.176 481 A CB -1.115 18.099 19.000 0.356 0.000 1.096 481 A HN 0.466 nan 8.150 nan 0.000 0.655 482 A N -0.251 122.706 122.820 0.229 0.000 2.495 482 A HA 0.465 2.447 4.320 -3.896 0.000 0.260 482 A C 1.554 178.965 177.584 -0.287 0.000 1.608 482 A CA 0.493 52.554 52.037 0.039 0.000 0.834 482 A CB -0.504 18.481 19.000 -0.025 0.000 1.526 482 A HN 0.607 nan 8.150 nan 0.000 0.578 483 V N -1.555 117.932 119.914 -0.712 0.000 2.379 483 V HA -0.041 1.742 4.120 -3.896 0.000 0.245 483 V C 0.483 176.227 176.094 -0.583 0.000 1.044 483 V CA 1.219 63.023 62.300 -0.826 0.000 1.036 483 V CB -0.982 30.283 31.823 -0.931 0.000 0.664 483 V HN 0.462 nan 8.190 nan 0.000 0.453 484 F N 1.571 121.399 119.950 -0.202 0.000 2.421 484 F HA 0.678 2.864 4.527 -3.902 0.000 0.337 484 F C 0.555 176.292 175.800 -0.105 0.000 1.105 484 F CA -1.006 56.910 58.000 -0.140 0.000 1.049 484 F CB 1.061 39.992 39.000 -0.115 0.000 1.139 484 F HN 0.109 nan 8.300 nan 0.000 0.479 485 R N 1.930 122.483 120.500 0.088 0.000 2.535 485 R HA 0.743 2.746 4.340 -3.896 0.000 0.274 485 R C -1.950 174.347 176.300 -0.006 0.000 1.090 485 R CA -0.975 55.145 56.100 0.034 0.000 0.930 485 R CB 1.050 31.363 30.300 0.022 0.000 1.223 485 R HN 0.437 nan 8.270 nan 0.000 0.441 486 V N -0.514 119.396 119.914 -0.006 0.000 2.975 486 V HA 0.644 2.426 4.120 -3.896 0.000 0.318 486 V C 1.379 177.456 176.094 -0.029 0.000 1.077 486 V CA -0.082 62.191 62.300 -0.045 0.000 1.000 486 V CB 1.513 33.296 31.823 -0.067 0.000 1.066 486 V HN 0.852 nan 8.190 nan 0.000 0.452 487 G N 1.377 110.149 108.800 -0.046 0.000 2.476 487 G HA2 -0.270 1.353 3.960 -3.896 0.000 0.218 487 G HA3 -0.270 1.353 3.960 -3.896 0.000 0.218 487 G C 1.591 176.476 174.900 -0.025 0.000 1.164 487 G CA 1.583 46.671 45.100 -0.020 0.000 0.768 487 G HN 1.205 nan 8.290 nan 0.000 0.560 488 S N -0.001 115.682 115.700 -0.029 0.000 2.383 488 S HA -0.053 2.080 4.470 -3.896 0.000 0.227 488 S C 2.262 176.856 174.600 -0.011 0.000 1.026 488 S CA 1.372 59.559 58.200 -0.022 0.000 0.981 488 S CB -0.376 62.812 63.200 -0.021 0.000 0.818 488 S HN 0.113 nan 8.310 nan 0.000 0.472 489 V N 1.876 121.798 119.914 0.013 0.000 2.379 489 V HA -0.002 1.781 4.120 -3.896 0.000 0.245 489 V C 2.515 178.628 176.094 0.033 0.000 1.044 489 V CA 1.463 63.812 62.300 0.082 0.000 1.036 489 V CB -0.738 31.153 31.823 0.114 0.000 0.664 489 V HN 0.433 nan 8.190 nan 0.000 0.453 490 L N -0.612 120.605 121.223 -0.011 0.000 2.083 490 L HA -0.209 1.794 4.340 -3.896 0.000 0.209 490 L C 2.645 179.409 176.870 -0.177 0.000 1.083 490 L CA 1.546 56.343 54.840 -0.071 0.000 0.752 490 L CB -0.512 41.530 42.059 -0.029 0.000 0.899 490 L HN 0.362 nan 8.230 nan 0.000 0.433 491 Q N -0.515 119.201 119.800 -0.141 0.000 2.123 491 Q HA -0.235 1.768 4.340 -3.896 0.000 0.199 491 Q C 2.103 177.992 176.000 -0.186 0.000 0.966 491 Q CA 1.270 56.975 55.803 -0.163 0.000 0.845 491 Q CB -0.004 28.679 28.738 -0.092 0.000 0.907 491 Q HN 0.498 nan 8.270 nan 0.000 0.439 492 E N -0.114 119.978 120.200 -0.180 0.000 2.106 492 E HA -0.147 1.866 4.350 -3.896 0.000 0.192 492 E C 1.913 178.286 176.600 -0.379 0.000 0.984 492 E CA 1.010 57.296 56.400 -0.190 0.000 0.806 492 E CB -0.063 29.587 29.700 -0.084 0.000 0.750 492 E HN 0.393 nan 8.360 nan 0.000 0.458 493 G N 0.402 108.769 108.800 -0.722 0.000 2.408 493 G HA2 -0.255 1.368 3.960 -3.896 0.000 0.217 493 G HA3 -0.255 1.368 3.960 -3.896 0.000 0.217 493 G C 1.717 176.399 174.900 -0.363 0.000 1.150 493 G CA 0.776 45.353 45.100 -0.872 0.000 0.776 493 G HN 0.352 nan 8.290 nan 0.000 0.542 494 C N 1.324 120.418 119.300 -0.344 0.000 2.413 494 C HA -0.048 2.075 4.460 -3.896 0.000 0.276 494 C C 2.895 177.782 174.990 -0.173 0.000 1.236 494 C CA 1.356 60.145 59.018 -0.382 0.000 1.735 494 C CB -0.704 26.614 27.740 -0.702 0.000 2.031 494 C HN 0.796 nan 8.230 nan 0.000 0.474 495 E N 0.757 120.877 120.200 -0.132 0.000 2.358 495 E HA -0.174 1.839 4.350 -3.896 0.000 0.195 495 E C 1.928 178.522 176.600 -0.011 0.000 1.010 495 E CA 0.760 57.143 56.400 -0.029 0.000 0.856 495 E CB -0.286 29.398 29.700 -0.027 0.000 0.795 495 E HN 0.601 nan 8.360 nan 0.000 0.504 496 K N 0.595 120.964 120.400 -0.052 0.000 2.116 496 K HA -0.017 1.965 4.320 -3.896 0.000 0.203 496 K C 1.978 178.594 176.600 0.026 0.000 1.052 496 K CA 0.586 56.866 56.287 -0.013 0.000 0.952 496 K CB 0.180 32.664 32.500 -0.028 0.000 0.729 496 K HN 0.095 nan 8.250 nan 0.000 0.446 497 I N 1.572 122.155 120.570 0.021 0.000 2.439 497 I HA -0.200 1.633 4.170 -3.896 0.000 0.251 497 I C 2.267 178.459 176.117 0.125 0.000 1.139 497 I CA 0.703 62.046 61.300 0.073 0.000 1.438 497 I CB -0.857 37.182 38.000 0.065 0.000 1.085 497 I HN 0.232 nan 8.210 nan 0.000 0.427 498 L N 1.154 122.452 121.223 0.126 0.000 2.083 498 L HA -0.148 1.855 4.340 -3.896 0.000 0.209 498 L C 2.690 179.641 176.870 0.137 0.000 1.083 498 L CA 1.747 56.670 54.840 0.139 0.000 0.752 498 L CB -0.684 41.461 42.059 0.145 0.000 0.899 498 L HN 0.083 nan 8.230 nan 0.000 0.433 499 R N -0.574 119.986 120.500 0.100 0.000 2.092 499 R HA -0.105 1.898 4.340 -3.896 0.000 0.231 499 R C 2.212 178.572 176.300 0.099 0.000 1.119 499 R CA 1.662 57.813 56.100 0.086 0.000 0.970 499 R CB -0.302 30.031 30.300 0.055 0.000 0.864 499 R HN 0.463 nan 8.270 nan 0.000 0.440 500 L N -0.714 120.572 121.223 0.106 0.000 2.141 500 L HA -0.163 1.839 4.340 -3.896 0.000 0.209 500 L C 2.176 179.115 176.870 0.115 0.000 1.094 500 L CA 0.934 55.831 54.840 0.096 0.000 0.763 500 L CB -0.473 41.638 42.059 0.086 0.000 0.908 500 L HN 0.215 nan 8.230 nan 0.000 0.437 501 Y N 0.815 121.140 120.300 0.040 0.000 2.293 501 Y HA -0.130 2.085 4.550 -3.892 0.000 0.291 501 Y C 2.354 178.279 175.900 0.042 0.000 1.137 501 Y CA 1.400 59.521 58.100 0.035 0.000 1.202 501 Y CB -0.230 38.246 38.460 0.027 0.000 0.990 501 Y HN 0.081 nan 8.280 nan 0.000 0.537 502 G N -0.809 108.107 108.800 0.193 0.000 2.443 502 G HA2 -0.211 1.412 3.960 -3.896 0.000 0.219 502 G HA3 -0.211 1.412 3.960 -3.896 0.000 0.219 502 G C 1.034 175.999 174.900 0.109 0.000 1.131 502 G CA 1.030 46.212 45.100 0.136 0.000 0.775 502 G HN 0.323 nan 8.290 nan 0.000 0.547 503 D N 0.166 120.619 120.400 0.090 0.000 2.363 503 D HA 0.042 2.345 4.640 -3.896 0.000 0.220 503 D C 2.189 178.529 176.300 0.066 0.000 0.994 503 D CA 0.063 54.125 54.000 0.104 0.000 0.890 503 D CB 0.054 40.889 40.800 0.058 0.000 0.906 503 D HN 0.274 nan 8.370 nan 0.000 0.530 504 L N 0.704 121.907 121.223 -0.033 0.000 2.622 504 L HA -0.072 1.931 4.340 -3.896 0.000 0.233 504 L C 2.175 178.998 176.870 -0.079 0.000 1.156 504 L CA 0.549 55.328 54.840 -0.102 0.000 0.866 504 L CB -0.160 41.729 42.059 -0.283 0.000 0.980 504 L HN 0.127 nan 8.230 nan 0.000 0.448 505 Q N -1.951 117.823 119.800 -0.043 0.000 2.384 505 Q HA -0.046 1.957 4.340 -3.896 0.000 0.207 505 Q C 1.066 176.968 176.000 -0.163 0.000 0.904 505 Q CA 0.530 56.273 55.803 -0.100 0.000 0.933 505 Q CB 0.135 28.802 28.738 -0.117 0.000 1.077 505 Q HN 0.510 nan 8.270 nan 0.000 0.522 506 H N 1.076 120.136 119.070 -0.016 0.000 2.505 506 H HA 0.199 2.417 4.556 -3.896 0.000 0.289 506 H C -0.135 175.193 175.328 -0.000 0.000 1.052 506 H CA -0.318 55.727 56.048 -0.004 0.000 1.156 506 H CB 0.499 30.263 29.762 0.003 0.000 1.507 506 H HN 0.221 nan 8.280 nan 0.000 0.548 507 L N 0.107 121.370 121.223 0.066 0.000 2.417 507 L HA 0.393 2.396 4.340 -3.896 0.000 0.268 507 L C 0.240 177.134 176.870 0.040 0.000 1.158 507 L CA -0.584 54.287 54.840 0.051 0.000 0.819 507 L CB 0.457 42.530 42.059 0.023 0.000 1.112 507 L HN -0.192 nan 8.230 nan 0.000 0.458 508 K N 0.697 121.132 120.400 0.057 0.000 2.244 508 K HA 0.666 2.648 4.320 -3.896 0.000 0.260 508 K C -0.579 176.067 176.600 0.076 0.000 0.951 508 K CA -0.271 56.042 56.287 0.044 0.000 0.826 508 K CB 1.751 34.290 32.500 0.064 0.000 1.108 508 K HN 0.857 nan 8.250 nan 0.000 0.433 509 T N 2.905 117.473 114.554 0.023 0.000 2.942 509 T HA 0.539 2.551 4.350 -3.896 0.000 0.289 509 T C -0.268 174.438 174.700 0.010 0.000 1.044 509 T CA -0.486 61.659 62.100 0.075 0.000 1.023 509 T CB 0.490 69.371 68.868 0.022 0.000 1.123 509 T HN 0.522 nan 8.240 nan 0.000 0.512 510 F N -0.025 119.926 119.950 0.002 0.000 2.549 510 F HA 0.355 2.544 4.527 -3.896 0.000 0.275 510 F C 0.837 176.638 175.800 0.002 0.000 0.990 510 F CA -0.419 57.587 58.000 0.009 0.000 1.274 510 F CB 0.401 39.407 39.000 0.011 0.000 1.064 510 F HN 0.441 nan 8.300 nan 0.000 0.715 511 D N 0.203 120.706 120.400 0.170 0.000 2.383 511 D HA 0.171 2.474 4.640 -3.896 0.000 0.252 511 D C 0.615 176.912 176.300 -0.005 0.000 1.166 511 D CA 0.367 54.416 54.000 0.080 0.000 0.879 511 D CB 0.906 41.744 40.800 0.062 0.000 1.164 511 D HN -0.110 nan 8.370 nan 0.000 0.462 512 R N 1.772 122.264 120.500 -0.013 0.000 2.437 512 R HA 0.330 2.332 4.340 -3.896 0.000 0.257 512 R C 0.722 176.974 176.300 -0.080 0.000 0.927 512 R CA -0.272 55.772 56.100 -0.093 0.000 1.078 512 R CB 0.907 31.214 30.300 0.011 0.000 1.161 512 R HN 0.423 nan 8.270 nan 0.000 0.529 513 G N -0.134 108.652 108.800 -0.024 0.000 2.527 513 G HA2 0.063 1.685 3.960 -3.896 0.000 0.248 513 G HA3 0.063 1.685 3.960 -3.896 0.000 0.248 513 G C 0.698 175.590 174.900 -0.013 0.000 1.231 513 G CA -0.419 44.682 45.100 0.002 0.000 0.838 513 G HN 0.018 nan 8.290 nan 0.000 0.570 514 M N 0.617 120.223 119.600 0.009 0.000 2.299 514 M HA 0.034 2.176 4.480 -3.896 0.000 0.264 514 M C 1.130 177.445 176.300 0.025 0.000 1.095 514 M CA 0.734 56.042 55.300 0.014 0.000 1.165 514 M CB -0.217 32.398 32.600 0.025 0.000 1.349 514 M HN 0.165 nan 8.290 nan 0.000 0.446 515 V N 0.967 120.919 119.914 0.063 0.000 2.446 515 V HA -0.078 1.704 4.120 -3.896 0.000 0.276 515 V C -0.664 175.557 176.094 0.212 0.000 1.030 515 V CA -0.243 62.130 62.300 0.122 0.000 1.033 515 V CB -0.885 31.028 31.823 0.151 0.000 0.993 515 V HN 0.698 nan 8.190 nan 0.000 0.477 516 W N 4.096 125.387 121.300 -0.015 0.000 5.898 516 W HA -0.207 2.116 4.660 -3.896 0.000 0.431 516 W C 0.729 177.229 176.519 -0.031 0.000 1.754 516 W CA 0.271 57.603 57.345 -0.021 0.000 0.968 516 W CB -0.718 28.735 29.460 -0.012 0.000 2.937 516 W HN 0.699 nan 8.180 nan 0.000 1.266 517 N N 1.129 119.858 118.700 0.048 0.000 2.767 517 N HA 0.124 2.527 4.740 -3.896 0.000 0.238 517 N C 1.302 176.803 175.510 -0.014 0.000 1.083 517 N CA 0.766 53.825 53.050 0.016 0.000 0.964 517 N CB 0.627 39.085 38.487 -0.048 0.000 1.252 517 N HN 0.303 nan 8.380 nan 0.000 0.512 518 T N -1.024 113.571 114.554 0.068 0.000 2.951 518 T HA -0.127 1.886 4.350 -3.896 0.000 0.268 518 T C 1.343 176.042 174.700 -0.001 0.000 1.073 518 T CA 0.781 62.910 62.100 0.048 0.000 1.134 518 T CB 0.006 68.951 68.868 0.128 0.000 0.884 518 T HN 0.238 nan 8.240 nan 0.000 0.479 519 D N 0.804 121.211 120.400 0.012 0.000 2.218 519 D HA -0.048 2.255 4.640 -3.896 0.000 0.204 519 D C 1.775 178.059 176.300 -0.026 0.000 0.976 519 D CA 0.451 54.458 54.000 0.011 0.000 0.853 519 D CB -0.309 40.519 40.800 0.047 0.000 0.939 519 D HN 0.378 nan 8.370 nan 0.000 0.481 520 L N -0.083 121.100 121.223 -0.067 0.000 2.168 520 L HA 0.053 2.056 4.340 -3.896 0.000 0.203 520 L C 2.286 179.045 176.870 -0.185 0.000 1.078 520 L CA 1.249 56.020 54.840 -0.115 0.000 0.780 520 L CB -0.601 41.379 42.059 -0.133 0.000 0.939 520 L HN 0.083 nan 8.230 nan 0.000 0.451 521 V N -3.120 116.645 119.914 -0.249 0.000 2.667 521 V HA -0.097 1.685 4.120 -3.896 0.000 0.252 521 V C 2.060 177.960 176.094 -0.324 0.000 1.065 521 V CA 1.618 63.646 62.300 -0.453 0.000 1.083 521 V CB -1.013 30.476 31.823 -0.556 0.000 0.692 521 V HN 0.522 nan 8.190 nan 0.000 0.468 522 E N 0.769 120.879 120.200 -0.151 0.000 2.274 522 E HA -0.080 1.932 4.350 -3.896 0.000 0.194 522 E C 2.177 178.752 176.600 -0.042 0.000 0.996 522 E CA 1.480 57.844 56.400 -0.060 0.000 0.840 522 E CB -0.124 29.571 29.700 -0.009 0.000 0.772 522 E HN 0.755 nan 8.360 nan 0.000 0.491 523 T N 0.912 115.426 114.554 -0.067 0.000 2.978 523 T HA 0.017 2.030 4.350 -3.896 0.000 0.262 523 T C 1.947 176.615 174.700 -0.054 0.000 1.063 523 T CA 0.309 62.381 62.100 -0.046 0.000 1.140 523 T CB 0.027 68.869 68.868 -0.044 0.000 0.886 523 T HN 0.072 nan 8.240 nan 0.000 0.470 524 L N 0.787 121.945 121.223 -0.108 0.000 2.093 524 L HA -0.057 1.945 4.340 -3.896 0.000 0.208 524 L C 2.692 179.597 176.870 0.058 0.000 1.085 524 L CA 1.352 56.154 54.840 -0.064 0.000 0.755 524 L CB -0.455 41.458 42.059 -0.243 0.000 0.904 524 L HN 0.291 nan 8.230 nan 0.000 0.435 525 E N -0.233 119.984 120.200 0.029 0.000 2.106 525 E HA -0.235 1.777 4.350 -3.896 0.000 0.192 525 E C 2.067 178.712 176.600 0.076 0.000 0.984 525 E CA 0.813 57.281 56.400 0.113 0.000 0.806 525 E CB -0.060 29.698 29.700 0.097 0.000 0.750 525 E HN 0.244 nan 8.360 nan 0.000 0.458 526 L N 1.340 122.586 121.223 0.039 0.000 2.046 526 L HA -0.219 1.783 4.340 -3.896 0.000 0.208 526 L C 2.047 178.931 176.870 0.022 0.000 1.077 526 L CA 1.772 56.630 54.840 0.030 0.000 0.747 526 L CB -0.235 41.833 42.059 0.014 0.000 0.896 526 L HN 0.061 nan 8.230 nan 0.000 0.432 527 Q N -0.715 119.091 119.800 0.010 0.000 2.124 527 Q HA -0.195 1.808 4.340 -3.896 0.000 0.202 527 Q C 1.806 177.838 176.000 0.053 0.000 0.977 527 Q CA 1.782 57.585 55.803 0.000 0.000 0.850 527 Q CB -0.176 28.559 28.738 -0.006 0.000 0.901 527 Q HN 0.571 nan 8.270 nan 0.000 0.429 528 N N 0.197 118.936 118.700 0.066 0.000 2.300 528 N HA -0.035 2.367 4.740 -3.896 0.000 0.179 528 N C 1.590 177.120 175.510 0.034 0.000 1.016 528 N CA 0.662 53.748 53.050 0.059 0.000 0.876 528 N CB -0.043 38.493 38.487 0.082 0.000 0.979 528 N HN 0.145 nan 8.380 nan 0.000 0.432 529 L N -0.115 121.137 121.223 0.050 0.000 2.056 529 L HA -0.045 1.957 4.340 -3.896 0.000 0.207 529 L C 2.144 179.030 176.870 0.027 0.000 1.078 529 L CA 0.822 55.686 54.840 0.041 0.000 0.749 529 L CB -0.267 41.830 42.059 0.063 0.000 0.901 529 L HN 0.160 nan 8.230 nan 0.000 0.433 530 M N -0.465 119.174 119.600 0.066 0.000 2.080 530 M HA -0.217 1.926 4.480 -3.896 0.000 0.260 530 M C 2.398 178.772 176.300 0.123 0.000 1.068 530 M CA 1.878 57.254 55.300 0.127 0.000 1.109 530 M CB -0.972 31.747 32.600 0.199 0.000 1.342 530 M HN 0.237 nan 8.290 nan 0.000 0.405 531 L N -1.015 120.280 121.223 0.120 0.000 2.131 531 L HA -0.249 1.753 4.340 -3.896 0.000 0.210 531 L C 2.464 179.275 176.870 -0.098 0.000 1.092 531 L CA 0.833 55.690 54.840 0.029 0.000 0.759 531 L CB -0.522 41.564 42.059 0.044 0.000 0.903 531 L HN 0.343 nan 8.230 nan 0.000 0.435 532 C N -0.954 118.250 119.300 -0.161 0.000 2.514 532 C HA 0.109 2.232 4.460 -3.896 0.000 0.271 532 C C 2.869 177.676 174.990 -0.305 0.000 1.399 532 C CA 0.430 59.210 59.018 -0.395 0.000 1.765 532 C CB -0.865 26.492 27.740 -0.638 0.000 1.893 532 C HN 0.577 nan 8.230 nan 0.000 0.531 533 A N 0.067 122.816 122.820 -0.117 0.000 1.935 533 A HA 0.091 2.073 4.320 -3.896 0.000 0.214 533 A C 1.883 179.469 177.584 0.003 0.000 1.178 533 A CA 0.928 52.938 52.037 -0.045 0.000 0.640 533 A CB -0.381 18.610 19.000 -0.014 0.000 0.825 533 A HN 0.405 nan 8.150 nan 0.000 0.447 534 L N 0.053 121.281 121.223 0.008 0.000 2.017 534 L HA -0.230 1.773 4.340 -3.896 0.000 0.208 534 L C 2.704 179.633 176.870 0.098 0.000 1.073 534 L CA 2.041 56.919 54.840 0.063 0.000 0.745 534 L CB -0.549 41.455 42.059 -0.092 0.000 0.894 534 L HN 0.453 nan 8.230 nan 0.000 0.432 535 Q N -1.703 118.085 119.800 -0.020 0.000 2.297 535 Q HA -0.125 1.877 4.340 -3.896 0.000 0.204 535 Q C 1.991 178.014 176.000 0.038 0.000 0.962 535 Q CA 1.598 57.390 55.803 -0.018 0.000 0.879 535 Q CB -0.194 28.487 28.738 -0.096 0.000 0.947 535 Q HN 0.512 nan 8.270 nan 0.000 0.462 536 T N 1.005 115.584 114.554 0.042 0.000 2.770 536 T HA -0.099 1.914 4.350 -3.896 0.000 0.263 536 T C 1.770 176.535 174.700 0.108 0.000 1.039 536 T CA 0.847 63.010 62.100 0.105 0.000 1.142 536 T CB -0.073 68.894 68.868 0.164 0.000 0.868 536 T HN 0.147 nan 8.240 nan 0.000 0.435 537 I N -0.220 120.408 120.570 0.098 0.000 2.406 537 I HA 0.025 1.857 4.170 -3.896 0.000 0.249 537 I C 1.756 177.870 176.117 -0.005 0.000 1.122 537 I CA 1.048 62.375 61.300 0.044 0.000 1.431 537 I CB -0.126 37.867 38.000 -0.012 0.000 1.087 537 I HN 0.182 nan 8.210 nan 0.000 0.424 538 Y N 0.251 120.546 120.300 -0.008 0.000 2.263 538 Y HA 0.016 2.224 4.550 -3.904 0.000 0.292 538 Y C 2.530 178.433 175.900 0.005 0.000 1.130 538 Y CA 1.492 59.589 58.100 -0.005 0.000 1.179 538 Y CB -0.926 37.521 38.460 -0.021 0.000 0.998 538 Y HN 0.180 nan 8.280 nan 0.000 0.532 539 G N -0.752 108.133 108.800 0.142 0.000 2.422 539 G HA2 -0.172 1.451 3.960 -3.896 0.000 0.218 539 G HA3 -0.172 1.451 3.960 -3.896 0.000 0.218 539 G C 1.819 176.694 174.900 -0.043 0.000 1.140 539 G CA 0.844 45.982 45.100 0.065 0.000 0.775 539 G HN 0.446 nan 8.290 nan 0.000 0.545 540 A N 1.473 124.274 122.820 -0.032 0.000 1.898 540 A HA 0.087 2.070 4.320 -3.896 0.000 0.214 540 A C 2.173 179.807 177.584 0.083 0.000 1.183 540 A CA 1.946 53.972 52.037 -0.019 0.000 0.622 540 A CB -0.298 18.792 19.000 0.151 0.000 0.824 540 A HN 0.488 nan 8.150 nan 0.000 0.444 541 E N 0.293 120.512 120.200 0.032 0.000 2.152 541 E HA 0.130 2.142 4.350 -3.896 0.000 0.192 541 E C 1.665 178.277 176.600 0.020 0.000 0.983 541 E CA 1.362 57.771 56.400 0.016 0.000 0.818 541 E CB -0.490 29.172 29.700 -0.064 0.000 0.758 541 E HN 0.376 nan 8.360 nan 0.000 0.467 542 A N 1.004 123.843 122.820 0.033 0.000 1.970 542 A HA -0.004 1.979 4.320 -3.896 0.000 0.216 542 A C 1.639 179.130 177.584 -0.155 0.000 1.170 542 A CA 0.557 52.642 52.037 0.081 0.000 0.645 542 A CB -0.430 18.713 19.000 0.239 0.000 0.816 542 A HN 0.176 nan 8.150 nan 0.000 0.447 543 R N 1.196 121.491 120.500 -0.342 0.000 2.345 543 R HA 0.134 2.137 4.340 -3.896 0.000 0.331 543 R C -0.701 175.211 176.300 -0.646 0.000 1.067 543 R CA 0.086 55.665 56.100 -0.869 0.000 0.962 543 R CB -0.006 29.883 30.300 -0.684 0.000 0.987 543 R HN 0.200 nan 8.270 nan 0.000 0.451 544 K N 4.823 124.577 120.400 -1.077 0.000 3.141 544 K HA 0.055 2.038 4.320 -3.896 0.000 0.248 544 K C -0.748 175.559 176.600 -0.488 0.000 1.282 544 K CA -0.107 55.875 56.287 -0.509 0.000 1.251 544 K CB 0.238 32.434 32.500 -0.507 0.000 1.533 544 K HN 0.678 nan 8.250 nan 0.000 0.409 545 E N -1.770 118.279 120.200 -0.252 0.000 2.445 545 E HA 0.337 2.350 4.350 -3.896 0.000 0.279 545 E C -1.230 175.439 176.600 0.115 0.000 1.018 545 E CA -1.032 55.339 56.400 -0.047 0.000 0.816 545 E CB 1.320 30.975 29.700 -0.075 0.000 1.356 545 E HN -0.184 nan 8.360 nan 0.000 0.462 546 S N 0.588 116.372 115.700 0.140 0.000 2.461 546 S HA 0.461 2.594 4.470 -3.896 0.000 0.322 546 S C -0.817 173.900 174.600 0.195 0.000 1.063 546 S CA -0.679 57.608 58.200 0.145 0.000 1.120 546 S CB 0.398 63.669 63.200 0.119 0.000 0.968 546 S HN 0.425 nan 8.310 nan 0.000 0.467 547 R N 2.456 123.116 120.500 0.267 0.000 2.510 547 R HA 0.524 2.527 4.340 -3.896 0.000 0.294 547 R C 0.703 177.242 176.300 0.398 0.000 1.056 547 R CA 0.342 56.637 56.100 0.324 0.000 0.918 547 R CB 0.678 31.206 30.300 0.379 0.000 1.187 547 R HN 0.854 nan 8.270 nan 0.000 0.437 548 G N 2.676 111.648 108.800 0.286 0.000 2.565 548 G HA2 -0.465 1.157 3.960 -3.896 0.000 0.295 548 G HA3 -0.465 1.157 3.960 -3.896 0.000 0.295 548 G C 0.735 175.783 174.900 0.246 0.000 1.165 548 G CA 0.551 45.810 45.100 0.265 0.000 0.977 548 G HN 0.791 nan 8.290 nan 0.000 0.546 549 A N -0.756 122.260 122.820 0.326 0.000 1.970 549 A HA 0.178 2.161 4.320 -3.896 0.000 0.216 549 A C 1.326 179.026 177.584 0.194 0.000 1.170 549 A CA 1.655 53.846 52.037 0.257 0.000 0.645 549 A CB -0.417 18.775 19.000 0.319 0.000 0.816 549 A HN 1.048 nan 8.150 nan 0.000 0.447 550 H N 0.688 119.825 119.070 0.111 0.000 3.015 550 H HA 0.478 2.690 4.556 -3.907 0.000 0.268 550 H C -0.756 174.571 175.328 -0.002 0.000 1.113 550 H CA 0.388 56.402 56.048 -0.057 0.000 1.479 550 H CB 0.112 29.654 29.762 -0.366 0.000 1.493 550 H HN 0.255 nan 8.280 nan 0.000 0.486 551 A N 7.528 130.157 122.820 -0.318 0.000 2.311 551 A HA 0.423 2.406 4.320 -3.896 0.000 0.306 551 A C -0.295 177.168 177.584 -0.201 0.000 1.189 551 A CA -0.924 51.001 52.037 -0.186 0.000 0.791 551 A CB 0.802 19.722 19.000 -0.133 0.000 1.172 551 A HN 0.666 nan 8.150 nan 0.000 0.481 552 R N 2.211 122.637 120.500 -0.124 0.000 2.265 552 R HA 0.247 2.250 4.340 -3.896 0.000 0.319 552 R C 0.213 176.524 176.300 0.019 0.000 1.006 552 R CA -0.462 55.602 56.100 -0.062 0.000 0.880 552 R CB 1.330 31.630 30.300 0.000 0.000 1.077 552 R HN 0.817 nan 8.270 nan 0.000 0.454 553 E N 1.721 121.924 120.200 0.005 0.000 2.106 553 E HA -0.171 1.842 4.350 -3.896 0.000 0.192 553 E C 0.965 177.493 176.600 -0.119 0.000 0.984 553 E CA 1.414 57.787 56.400 -0.045 0.000 0.806 553 E CB 0.323 29.958 29.700 -0.108 0.000 0.750 553 E HN 0.593 nan 8.360 nan 0.000 0.458 554 D N -0.016 120.251 120.400 -0.222 0.000 2.123 554 D HA -0.143 2.159 4.640 -3.896 0.000 0.200 554 D C 0.398 176.396 176.300 -0.504 0.000 0.976 554 D CA 0.625 54.360 54.000 -0.442 0.000 0.831 554 D CB -0.330 40.062 40.800 -0.681 0.000 0.974 554 D HN 0.058 nan 8.370 nan 0.000 0.469 555 F N 1.680 121.625 119.950 -0.009 0.000 2.359 555 F HA 0.300 2.523 4.527 -3.841 0.000 0.370 555 F C 1.288 177.095 175.800 0.012 0.000 1.077 555 F CA -1.200 56.799 58.000 -0.000 0.000 1.136 555 F CB 1.397 40.386 39.000 -0.018 0.000 1.387 555 F HN -0.181 nan 8.300 nan 0.000 0.468 556 K N 0.418 120.921 120.400 0.172 0.000 2.458 556 K HA 0.120 2.103 4.320 -3.896 0.000 0.194 556 K C -0.257 176.428 176.600 0.141 0.000 1.024 556 K CA 0.215 56.584 56.287 0.136 0.000 1.108 556 K CB 0.268 32.831 32.500 0.104 0.000 0.846 556 K HN 0.357 nan 8.250 nan 0.000 0.518 557 E N 2.106 122.403 120.200 0.162 0.000 2.354 557 E HA 0.104 2.117 4.350 -3.896 0.000 0.269 557 E C -0.354 176.325 176.600 0.131 0.000 1.036 557 E CA -0.353 56.127 56.400 0.135 0.000 0.876 557 E CB 1.180 30.956 29.700 0.128 0.000 1.009 557 E HN -0.002 nan 8.360 nan 0.000 0.416 558 R N 2.728 123.305 120.500 0.127 0.000 2.230 558 R HA 0.206 2.209 4.340 -3.896 0.000 0.337 558 R C -1.104 175.283 176.300 0.146 0.000 1.063 558 R CA -0.498 55.688 56.100 0.143 0.000 0.935 558 R CB 0.128 30.511 30.300 0.139 0.000 1.121 558 R HN 0.223 nan 8.270 nan 0.000 0.486 559 V N 5.800 125.817 119.914 0.171 0.000 2.353 559 V HA 0.157 1.939 4.120 -3.896 0.000 0.264 559 V C 0.364 176.580 176.094 0.205 0.000 1.049 559 V CA -0.300 62.112 62.300 0.187 0.000 0.896 559 V CB 0.990 32.962 31.823 0.250 0.000 1.025 559 V HN 0.605 nan 8.190 nan 0.000 0.475 560 D N 2.956 123.449 120.400 0.155 0.000 2.592 560 D HA 0.331 2.634 4.640 -3.896 0.000 0.259 560 D C 0.945 177.219 176.300 -0.043 0.000 1.144 560 D CA -0.605 53.467 54.000 0.120 0.000 1.080 560 D CB 1.301 42.267 40.800 0.275 0.000 1.225 560 D HN 0.490 nan 8.370 nan 0.000 0.619 561 E N -0.413 119.646 120.200 -0.236 0.000 2.028 561 E HA -0.096 1.916 4.350 -3.896 0.000 0.191 561 E C 0.106 176.459 176.600 -0.411 0.000 0.988 561 E CA 1.267 57.389 56.400 -0.464 0.000 0.799 561 E CB -0.265 29.129 29.700 -0.509 0.000 0.755 561 E HN 0.382 nan 8.360 nan 0.000 0.447 562 Y N 0.165 120.297 120.300 -0.281 0.000 2.488 562 Y HA 0.282 2.496 4.550 -3.892 0.000 0.325 562 Y C -0.133 175.507 175.900 -0.434 0.000 1.204 562 Y CA -1.213 56.592 58.100 -0.492 0.000 1.229 562 Y CB 1.002 38.910 38.460 -0.921 0.000 1.274 562 Y HN -0.180 nan 8.280 nan 0.000 0.493 563 D N 0.532 120.847 120.400 -0.142 0.000 2.453 563 D HA 0.094 2.396 4.640 -3.896 0.000 0.223 563 D C -0.312 175.912 176.300 -0.126 0.000 1.183 563 D CA 0.172 54.127 54.000 -0.076 0.000 0.933 563 D CB -0.188 40.595 40.800 -0.028 0.000 1.038 563 D HN 0.414 nan 8.370 nan 0.000 0.513 564 Y N 1.104 121.392 120.300 -0.019 0.000 2.632 564 Y HA -0.078 2.131 4.550 -3.902 0.000 0.301 564 Y C 2.502 178.353 175.900 -0.082 0.000 1.172 564 Y CA 0.486 58.537 58.100 -0.081 0.000 1.328 564 Y CB -0.007 38.354 38.460 -0.166 0.000 1.016 564 Y HN 0.401 nan 8.280 nan 0.000 0.529 565 S N 0.040 115.777 115.700 0.061 0.000 2.406 565 S HA -0.087 2.046 4.470 -3.896 0.000 0.228 565 S C 0.753 175.359 174.600 0.009 0.000 1.020 565 S CA 0.256 58.474 58.200 0.031 0.000 0.965 565 S CB -0.306 62.913 63.200 0.031 0.000 0.798 565 S HN 0.451 nan 8.310 nan 0.000 0.488 566 K N 0.637 121.032 120.400 -0.008 0.000 2.280 566 K HA 0.696 2.679 4.320 -3.896 0.000 0.234 566 K C -3.234 173.339 176.600 -0.044 0.000 1.028 566 K CA -2.619 53.656 56.287 -0.021 0.000 0.882 566 K CB -0.358 32.131 32.500 -0.019 0.000 1.194 566 K HN -0.185 nan 8.250 nan 0.000 0.458 567 P HA -0.102 nan 4.420 nan 0.000 0.266 567 P C -0.751 176.485 177.300 -0.107 0.000 1.180 567 P CA 0.051 63.114 63.100 -0.062 0.000 0.765 567 P CB 0.246 31.918 31.700 -0.046 0.000 0.806 568 I N 1.282 121.767 120.570 -0.141 0.000 2.676 568 I HA 0.127 1.960 4.170 -3.896 0.000 0.309 568 I C 1.102 177.089 176.117 -0.216 0.000 0.990 568 I CA 0.157 61.304 61.300 -0.255 0.000 1.168 568 I CB 0.791 38.616 38.000 -0.292 0.000 1.343 568 I HN 0.580 nan 8.210 nan 0.000 0.482 569 Q N 2.521 122.142 119.800 -0.298 0.000 2.306 569 Q HA -0.216 1.787 4.340 -3.896 0.000 0.149 569 Q C 0.940 176.910 176.000 -0.050 0.000 0.719 569 Q CA 1.260 56.967 55.803 -0.161 0.000 1.328 569 Q CB -1.876 26.780 28.738 -0.135 0.000 1.281 569 Q HN 0.943 nan 8.270 nan 0.000 0.978 570 G N 0.949 109.719 108.800 -0.050 0.000 3.574 570 G HA2 0.295 1.918 3.960 -3.896 0.000 0.262 570 G HA3 0.295 1.918 3.960 -3.896 0.000 0.262 570 G C -0.300 174.601 174.900 0.002 0.000 1.231 570 G CA 0.236 45.325 45.100 -0.018 0.000 1.608 570 G HN 0.141 nan 8.290 nan 0.000 0.628 571 Q N -0.741 119.084 119.800 0.041 0.000 2.472 571 Q HA 0.349 2.352 4.340 -3.896 0.000 0.281 571 Q C -1.345 174.730 176.000 0.125 0.000 0.997 571 Q CA -0.857 54.995 55.803 0.083 0.000 0.828 571 Q CB 1.928 30.739 28.738 0.122 0.000 1.443 571 Q HN 0.190 nan 8.270 nan 0.000 0.390 572 Q N 1.957 121.782 119.800 0.042 0.000 2.267 572 Q HA 0.279 2.282 4.340 -3.896 0.000 0.255 572 Q C -1.426 174.470 176.000 -0.174 0.000 0.923 572 Q CA 0.044 55.832 55.803 -0.024 0.000 0.925 572 Q CB 1.159 29.876 28.738 -0.036 0.000 1.195 572 Q HN 0.384 nan 8.270 nan 0.000 0.417 573 K N 3.262 123.504 120.400 -0.263 0.000 2.258 573 K HA 0.208 2.191 4.320 -3.896 0.000 0.284 573 K C -0.672 175.751 176.600 -0.295 0.000 1.051 573 K CA -0.330 55.623 56.287 -0.557 0.000 0.923 573 K CB 0.568 32.781 32.500 -0.478 0.000 1.046 573 K HN 0.523 nan 8.250 nan 0.000 0.474 574 K N 4.555 124.780 120.400 -0.292 0.000 2.295 574 K HA 0.165 2.148 4.320 -3.896 0.000 0.270 574 K C -2.232 174.373 176.600 0.009 0.000 1.011 574 K CA -1.613 54.611 56.287 -0.104 0.000 0.953 574 K CB 0.493 32.961 32.500 -0.055 0.000 0.956 574 K HN 0.449 nan 8.250 nan 0.000 0.477 575 P HA -0.051 nan 4.420 nan 0.000 0.271 575 P C 0.075 177.410 177.300 0.060 0.000 1.244 575 P CA -0.196 62.933 63.100 0.048 0.000 0.793 575 P CB 0.367 32.063 31.700 -0.008 0.000 0.984 576 F N 0.867 120.760 119.950 -0.094 0.000 2.146 576 F HA -0.174 2.042 4.527 -3.852 0.000 0.298 576 F C 1.764 177.251 175.800 -0.522 0.000 1.096 576 F CA 1.223 59.072 58.000 -0.253 0.000 1.275 576 F CB -0.020 38.919 39.000 -0.101 0.000 1.008 576 F HN 0.241 nan 8.300 nan 0.000 0.480 577 Q N 0.535 120.135 119.800 -0.334 0.000 2.247 577 Q HA -0.002 2.000 4.340 -3.896 0.000 0.234 577 Q C 0.561 176.257 176.000 -0.506 0.000 0.899 577 Q CA 0.436 55.956 55.803 -0.471 0.000 0.951 577 Q CB 0.294 28.927 28.738 -0.175 0.000 1.057 577 Q HN 0.672 nan 8.270 nan 0.000 0.444 578 E N 0.505 120.359 120.200 -0.577 0.000 2.475 578 E HA -0.005 2.007 4.350 -3.896 0.000 0.205 578 E C 0.503 176.810 176.600 -0.488 0.000 0.822 578 E CA -0.078 56.074 56.400 -0.413 0.000 1.240 578 E CB 0.320 29.904 29.700 -0.193 0.000 1.222 578 E HN 0.598 nan 8.360 nan 0.000 0.581 579 H N -2.331 116.460 119.070 -0.464 0.000 2.417 579 H HA 0.111 2.333 4.556 -3.889 0.000 0.325 579 H C -0.419 174.512 175.328 -0.661 0.000 1.549 579 H CA -0.397 55.425 56.048 -0.377 0.000 1.476 579 H CB 0.299 29.945 29.762 -0.194 0.000 1.732 579 H HN 0.160 nan 8.280 nan 0.000 0.695 580 W N -0.814 120.486 121.300 -0.000 0.000 1.948 580 W HA 0.313 4.905 4.660 -0.114 0.000 0.300 580 W C 0.818 177.357 176.519 0.033 0.000 0.890 580 W CA -0.551 56.730 57.345 -0.106 0.000 1.799 580 W CB 0.745 30.153 29.460 -0.087 0.000 1.073 580 W HN 0.401 nan 8.180 nan 0.000 0.499 581 R N 3.259 123.968 120.500 0.349 0.000 4.071 581 R HA 0.134 2.137 4.340 -3.896 0.000 0.220 581 R C -0.092 176.294 176.300 0.142 0.000 1.614 581 R CA 0.330 56.569 56.100 0.231 0.000 1.505 581 R CB -0.688 29.710 30.300 0.163 0.000 1.384 581 R HN 0.031 nan 8.270 nan 0.000 0.758 582 K N -0.182 120.258 120.400 0.066 0.000 2.556 582 K HA 0.281 2.264 4.320 -3.896 0.000 0.274 582 K C -1.207 175.449 176.600 0.094 0.000 0.966 582 K CA -1.061 55.231 56.287 0.008 0.000 0.865 582 K CB 1.149 33.585 32.500 -0.107 0.000 1.444 582 K HN 0.074 nan 8.250 nan 0.000 0.433 583 H N 0.916 120.145 119.070 0.265 0.000 2.652 583 H HA 0.149 2.368 4.556 -3.894 0.000 0.349 583 H C -0.340 175.185 175.328 0.327 0.000 1.099 583 H CA 0.017 56.214 56.048 0.247 0.000 1.417 583 H CB 1.302 31.149 29.762 0.142 0.000 1.457 583 H HN 0.495 nan 8.280 nan 0.000 0.568 584 T N 5.526 120.340 114.554 0.433 0.000 2.794 584 T HA 0.270 2.282 4.350 -3.896 0.000 0.304 584 T C 0.834 175.517 174.700 -0.029 0.000 0.973 584 T CA -0.560 61.671 62.100 0.218 0.000 0.972 584 T CB -0.319 68.730 68.868 0.302 0.000 0.952 584 T HN 0.211 nan 8.240 nan 0.000 0.509 585 L N 3.902 124.998 121.223 -0.213 0.000 2.265 585 L HA 0.478 2.480 4.340 -3.896 0.000 0.288 585 L C 0.559 177.208 176.870 -0.367 0.000 1.058 585 L CA -0.555 54.109 54.840 -0.292 0.000 0.809 585 L CB 0.829 42.684 42.059 -0.340 0.000 1.179 585 L HN 0.601 nan 8.230 nan 0.000 0.429 586 S N 2.048 117.525 115.700 -0.372 0.000 2.519 586 S HA 0.672 2.804 4.470 -3.896 0.000 0.309 586 S C -0.949 173.411 174.600 -0.400 0.000 1.100 586 S CA -0.822 57.198 58.200 -0.299 0.000 1.059 586 S CB 1.031 64.131 63.200 -0.167 0.000 1.008 586 S HN 0.323 nan 8.310 nan 0.000 0.478 587 Y N 1.031 121.267 120.300 -0.107 0.000 2.457 587 Y HA 0.736 2.948 4.550 -3.898 0.000 0.333 587 Y C 0.101 175.920 175.900 -0.135 0.000 1.119 587 Y CA -1.072 56.968 58.100 -0.100 0.000 1.143 587 Y CB 1.781 40.195 38.460 -0.077 0.000 1.230 587 Y HN 0.657 nan 8.280 nan 0.000 0.469 588 V N 2.834 122.761 119.914 0.023 0.000 2.612 588 V HA 0.239 2.022 4.120 -3.896 0.000 0.301 588 V C -1.086 174.963 176.094 -0.074 0.000 1.059 588 V CA -0.751 61.492 62.300 -0.094 0.000 0.886 588 V CB 1.486 33.194 31.823 -0.191 0.000 1.007 588 V HN 0.885 nan 8.190 nan 0.000 0.426 589 D N 5.016 125.362 120.400 -0.090 0.000 2.363 589 D HA 0.068 2.371 4.640 -3.896 0.000 0.263 589 D C 1.177 177.441 176.300 -0.060 0.000 1.258 589 D CA 0.254 54.217 54.000 -0.062 0.000 0.907 589 D CB 1.899 42.663 40.800 -0.061 0.000 1.107 589 D HN 0.475 nan 8.370 nan 0.000 0.495 590 V N 5.034 124.948 119.914 0.000 0.000 2.490 590 V HA -0.210 1.573 4.120 -3.896 0.000 0.250 590 V C 2.553 178.737 176.094 0.149 0.000 1.061 590 V CA 1.389 63.741 62.300 0.086 0.000 1.064 590 V CB -0.465 31.413 31.823 0.091 0.000 0.670 590 V HN 0.545 nan 8.190 nan 0.000 0.461 591 K N 0.544 120.990 120.400 0.077 0.000 2.057 591 K HA -0.169 1.813 4.320 -3.896 0.000 0.207 591 K C 2.144 178.803 176.600 0.099 0.000 1.049 591 K CA 2.025 58.358 56.287 0.076 0.000 0.931 591 K CB -0.095 32.427 32.500 0.035 0.000 0.714 591 K HN 0.702 nan 8.250 nan 0.000 0.440 592 T N -4.715 109.877 114.554 0.062 0.000 2.969 592 T HA 0.224 2.236 4.350 -3.896 0.000 0.250 592 T C 0.996 175.712 174.700 0.027 0.000 1.021 592 T CA 0.327 62.460 62.100 0.055 0.000 1.003 592 T CB 0.892 69.767 68.868 0.012 0.000 1.040 592 T HN 0.272 nan 8.240 nan 0.000 0.492 593 G N 1.821 110.551 108.800 -0.115 0.000 2.204 593 G HA2 -0.215 1.408 3.960 -3.896 0.000 0.244 593 G HA3 -0.215 1.408 3.960 -3.896 0.000 0.244 593 G C -0.261 174.414 174.900 -0.375 0.000 1.062 593 G CA 0.077 44.874 45.100 -0.504 0.000 0.798 593 G HN 0.808 nan 8.290 nan 0.000 0.496 594 K N 0.384 120.626 120.400 -0.264 0.000 2.185 594 K HA 0.615 2.598 4.320 -3.896 0.000 0.269 594 K C 0.138 176.552 176.600 -0.309 0.000 0.987 594 K CA -0.732 55.403 56.287 -0.254 0.000 0.865 594 K CB 1.381 33.796 32.500 -0.142 0.000 1.090 594 K HN 0.022 nan 8.250 nan 0.000 0.450 595 V N 3.799 123.430 119.914 -0.472 0.000 2.383 595 V HA 0.212 1.995 4.120 -3.896 0.000 0.275 595 V C -0.345 175.603 176.094 -0.244 0.000 1.036 595 V CA -0.528 61.510 62.300 -0.438 0.000 0.889 595 V CB 1.102 32.462 31.823 -0.771 0.000 0.985 595 V HN 0.892 nan 8.190 nan 0.000 0.459 596 S N 6.518 122.155 115.700 -0.104 0.000 2.552 596 S HA 0.844 2.976 4.470 -3.896 0.000 0.314 596 S C -0.876 173.754 174.600 0.050 0.000 1.099 596 S CA -0.781 57.408 58.200 -0.018 0.000 1.070 596 S CB 1.330 64.525 63.200 -0.009 0.000 0.998 596 S HN 0.732 nan 8.310 nan 0.000 0.474 597 L N 0.692 121.922 121.223 0.011 0.000 2.370 597 L HA 0.939 2.941 4.340 -3.896 0.000 0.266 597 L C -0.525 176.261 176.870 -0.141 0.000 1.002 597 L CA -0.918 53.879 54.840 -0.071 0.000 0.818 597 L CB 1.717 43.692 42.059 -0.142 0.000 1.325 597 L HN 0.844 nan 8.230 nan 0.000 0.418 598 E N 0.900 120.945 120.200 -0.258 0.000 2.446 598 E HA 0.588 2.601 4.350 -3.896 0.000 0.267 598 E C -1.728 174.526 176.600 -0.577 0.000 0.955 598 E CA -1.020 55.213 56.400 -0.277 0.000 0.842 598 E CB 1.692 31.431 29.700 0.065 0.000 1.504 598 E HN 0.592 nan 8.360 nan 0.000 0.438 599 Y N -0.598 119.732 120.300 0.049 0.000 2.545 599 Y HA 0.510 2.759 4.550 -3.835 0.000 0.348 599 Y C -0.247 175.742 175.900 0.149 0.000 1.002 599 Y CA -1.071 57.064 58.100 0.059 0.000 1.039 599 Y CB 2.327 40.778 38.460 -0.015 0.000 1.271 599 Y HN 0.595 nan 8.280 nan 0.000 0.467 600 R N 1.561 122.264 120.500 0.338 0.000 2.795 600 R HA 0.698 2.701 4.340 -3.896 0.000 0.275 600 R C -3.398 173.191 176.300 0.482 0.000 0.981 600 R CA -2.173 54.150 56.100 0.373 0.000 0.917 600 R CB 2.354 32.740 30.300 0.143 0.000 1.202 600 R HN 0.258 nan 8.270 nan 0.000 0.469 601 P HA 0.027 nan 4.420 nan 0.000 0.274 601 P C 0.042 177.496 177.300 0.256 0.000 1.237 601 P CA -0.501 62.842 63.100 0.406 0.000 0.793 601 P CB 0.980 32.856 31.700 0.293 0.000 0.977 602 V N -0.272 119.725 119.914 0.138 0.000 2.834 602 V HA 0.343 2.126 4.120 -3.896 0.000 0.301 602 V C 0.459 176.655 176.094 0.171 0.000 1.066 602 V CA -0.679 61.677 62.300 0.094 0.000 1.052 602 V CB -0.032 31.767 31.823 -0.040 0.000 1.021 602 V HN 0.261 nan 8.190 nan 0.000 0.480 603 I N 3.034 123.723 120.570 0.198 0.000 2.322 603 I HA 0.278 2.111 4.170 -3.896 0.000 0.292 603 I C 0.422 176.634 176.117 0.158 0.000 1.060 603 I CA 0.021 61.421 61.300 0.166 0.000 1.309 603 I CB 0.728 38.825 38.000 0.161 0.000 1.415 603 I HN 0.661 nan 8.210 nan 0.000 0.492 604 D N 4.238 124.728 120.400 0.149 0.000 2.262 604 D HA -0.020 2.282 4.640 -3.896 0.000 0.212 604 D C 0.703 177.102 176.300 0.165 0.000 0.964 604 D CA 0.671 54.768 54.000 0.162 0.000 0.875 604 D CB 0.247 41.139 40.800 0.153 0.000 0.996 604 D HN 0.516 nan 8.370 nan 0.000 0.497 605 K N 1.108 121.586 120.400 0.129 0.000 2.414 605 K HA 0.206 2.189 4.320 -3.896 0.000 0.272 605 K C 0.416 177.084 176.600 0.113 0.000 0.993 605 K CA -0.059 56.292 56.287 0.106 0.000 0.964 605 K CB 0.534 33.073 32.500 0.065 0.000 0.925 605 K HN -0.071 nan 8.250 nan 0.000 0.487 606 T N -0.101 114.521 114.554 0.112 0.000 2.852 606 T HA 0.227 2.240 4.350 -3.896 0.000 0.281 606 T C 1.240 175.894 174.700 -0.076 0.000 0.993 606 T CA -0.946 61.221 62.100 0.113 0.000 0.933 606 T CB 0.453 69.454 68.868 0.220 0.000 1.187 606 T HN 0.564 nan 8.240 nan 0.000 0.559 607 L N -0.137 120.888 121.223 -0.331 0.000 2.240 607 L HA 0.253 2.255 4.340 -3.896 0.000 0.211 607 L C 0.861 177.566 176.870 -0.275 0.000 1.106 607 L CA 0.660 55.212 54.840 -0.480 0.000 0.793 607 L CB -0.278 41.291 42.059 -0.816 0.000 0.927 607 L HN 0.613 nan 8.230 nan 0.000 0.446 608 N N -0.761 117.856 118.700 -0.138 0.000 2.572 608 N HA 0.046 2.449 4.740 -3.896 0.000 0.287 608 N C 0.178 175.739 175.510 0.085 0.000 1.136 608 N CA -0.168 52.893 53.050 0.018 0.000 0.900 608 N CB 1.582 40.106 38.487 0.062 0.000 1.484 608 N HN -0.138 nan 8.380 nan 0.000 0.526 609 E N 3.015 123.242 120.200 0.044 0.000 2.106 609 E HA 0.083 2.095 4.350 -3.896 0.000 0.192 609 E C 1.446 178.061 176.600 0.025 0.000 0.984 609 E CA 1.755 58.178 56.400 0.039 0.000 0.806 609 E CB 0.059 29.778 29.700 0.031 0.000 0.750 609 E HN 0.647 nan 8.360 nan 0.000 0.458 610 A N 0.183 123.019 122.820 0.027 0.000 1.969 610 A HA -0.145 1.837 4.320 -3.896 0.000 0.218 610 A C 1.976 179.571 177.584 0.018 0.000 1.169 610 A CA 1.833 53.881 52.037 0.018 0.000 0.635 610 A CB -0.489 18.523 19.000 0.020 0.000 0.810 610 A HN 0.326 nan 8.150 nan 0.000 0.445 611 D N -2.262 118.169 120.400 0.051 0.000 2.240 611 D HA 0.031 2.333 4.640 -3.896 0.000 0.206 611 D C -0.006 176.278 176.300 -0.026 0.000 0.963 611 D CA 0.762 54.803 54.000 0.067 0.000 0.863 611 D CB 0.269 41.177 40.800 0.181 0.000 0.973 611 D HN 0.261 nan 8.370 nan 0.000 0.501 612 C N 1.051 120.331 119.300 -0.034 0.000 2.727 612 C HA 0.791 2.913 4.460 -3.896 0.000 0.369 612 C C -0.425 174.480 174.990 -0.143 0.000 1.067 612 C CA -0.763 58.111 59.018 -0.240 0.000 1.273 612 C CB -0.235 27.162 27.740 -0.571 0.000 1.778 612 C HN 0.326 nan 8.230 nan 0.000 0.467 613 A N 4.689 127.452 122.820 -0.095 0.000 2.425 613 A HA 0.555 2.538 4.320 -3.896 0.000 0.249 613 A C 0.611 178.266 177.584 0.117 0.000 1.084 613 A CA 0.342 52.381 52.037 0.003 0.000 0.781 613 A CB 0.193 19.181 19.000 -0.020 0.000 1.019 613 A HN 0.905 nan 8.150 nan 0.000 0.490 614 T N 2.170 116.815 114.554 0.152 0.000 2.853 614 T HA 0.325 2.337 4.350 -3.896 0.000 0.298 614 T C 0.146 175.006 174.700 0.266 0.000 0.978 614 T CA 0.012 62.261 62.100 0.248 0.000 1.152 614 T CB 0.267 69.246 68.868 0.184 0.000 0.914 614 T HN 0.391 nan 8.240 nan 0.000 0.539 615 V N 7.985 128.121 119.914 0.370 0.000 2.368 615 V HA 0.257 2.039 4.120 -3.896 0.000 0.266 615 V C -1.928 174.397 176.094 0.386 0.000 1.045 615 V CA -1.869 60.661 62.300 0.384 0.000 0.899 615 V CB 0.628 32.735 31.823 0.472 0.000 1.006 615 V HN 0.717 nan 8.190 nan 0.000 0.470 616 P HA 0.309 nan 4.420 nan 0.000 0.274 616 P C -2.686 174.353 177.300 -0.436 0.000 1.237 616 P CA -1.676 61.402 63.100 -0.036 0.000 0.793 616 P CB -0.069 31.608 31.700 -0.039 0.000 0.977 617 P HA 0.289 nan 4.420 nan 0.000 0.268 617 P C -0.810 175.636 177.300 -1.423 0.000 1.205 617 P CA 0.505 62.328 63.100 -2.128 0.000 0.771 617 P CB 0.377 30.910 31.700 -1.944 0.000 0.858 618 A N 2.655 124.626 122.820 -1.414 0.000 2.567 618 A HA 0.596 2.579 4.320 -3.896 0.000 0.289 618 A C -0.814 176.543 177.584 -0.379 0.000 1.177 618 A CA -0.829 50.860 52.037 -0.580 0.000 0.694 618 A CB 0.495 19.316 19.000 -0.298 0.000 1.292 618 A HN 0.413 nan 8.150 nan 0.000 0.425 619 I N 1.230 121.721 120.570 -0.132 0.000 2.662 619 I HA 0.141 1.974 4.170 -3.896 0.000 0.285 619 I C 0.902 177.025 176.117 0.010 0.000 1.161 619 I CA 0.570 61.848 61.300 -0.035 0.000 1.415 619 I CB 0.187 38.187 38.000 0.000 0.000 1.385 619 I HN 0.564 nan 8.210 nan 0.000 0.552 620 R N 6.250 126.790 120.500 0.066 0.000 2.239 620 R HA 0.504 2.506 4.340 -3.896 0.000 0.332 620 R C -1.125 175.219 176.300 0.073 0.000 0.988 620 R CA -0.223 55.948 56.100 0.118 0.000 0.859 620 R CB 0.796 31.259 30.300 0.272 0.000 1.148 620 R HN 0.802 nan 8.270 nan 0.000 0.482 621 S N 3.144 118.845 115.700 0.002 0.000 2.584 621 S HA 0.231 2.364 4.470 -3.896 0.000 0.282 621 S C -1.081 173.512 174.600 -0.011 0.000 1.138 621 S CA -0.925 57.301 58.200 0.044 0.000 0.987 621 S CB 0.207 63.449 63.200 0.070 0.000 1.137 621 S HN 0.471 nan 8.310 nan 0.000 0.457 622 Y N 0.000 120.341 120.300 0.069 0.000 2.660 622 Y HA 0.000 2.212 4.550 -3.897 0.000 0.201 622 Y CA 0.000 58.133 58.100 0.055 0.000 1.940 622 Y CB 0.000 38.482 38.460 0.036 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758