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 1ba3_1_A DATA FIRST_RESID 3 DATA SEQUENCE DAKNIKKGPA PFYPLEDGTA GEQLHKAMKR YALVPGTIAF TDAHIEVNIT DATA SEQUENCE YAEYFEMSVR LAEAMKRYGL NTNHRIVVCS ENSLQFFMPV LGALFIGVAV DATA SEQUENCE APANDIYNER ELLNSMNISQ PTVVFVSKKG LQKILNVQKK LPIIQKIIIM DATA SEQUENCE DSKTDYQGFQ SMYTFVTSHL PPGFNEYDFV PESFDRDKTI ALIMNSXXST DATA SEQUENCE GLPKGVALPH RTACVRFSHA RDPIFGNQII PDTAILSVVP FHHGFGMFTT DATA SEQUENCE LGYLICGFRV VLMYRFEEEL FLRSLQDYKI QSALLVPTLF SFFAKSTLID DATA SEQUENCE KYDLSNLHEI ASGGAPLSKE VGEAVAKRFH LPGIRQGYGL TETTSAILIT DATA SEQUENCE PEGDDKPGAV GKVVPFFEAK VVDLDTGKTL GVNQRGELCV RGPMIMSGYV DATA SEQUENCE NNPEATNALI DKDGWLHSGD IAYWDEDEHF FIVDRLKSLI KYKGYQVAPA DATA SEQUENCE ELESILLQHP NIFDAGVAGL PDDDAGELPA AVVVLEHGKT MTEKEIVDYV DATA SEQUENCE ASQVTTAKKL RGGVVFVDEV PKGLTGKLDA RKIREILIKA KK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.333 176.300 0.055 0.000 2.045 3 D CA 0.000 54.032 54.000 0.053 0.000 0.868 3 D CB 0.000 40.840 40.800 0.067 0.000 0.688 4 A N -0.144 122.708 122.820 0.053 0.000 1.468 4 A HA -0.207 4.113 4.320 0.001 0.000 0.224 4 A C 2.428 180.033 177.584 0.035 0.000 0.358 4 A CA 4.655 56.720 52.037 0.047 0.000 1.097 4 A CB -2.352 16.671 19.000 0.039 0.000 1.465 4 A HN 2.003 nan 8.150 nan 0.000 0.719 5 K N -0.544 119.880 120.400 0.040 0.000 2.442 5 K HA -0.019 4.301 4.320 0.001 0.000 0.198 5 K C 1.223 177.834 176.600 0.019 0.000 1.044 5 K CA 1.888 58.193 56.287 0.030 0.000 0.948 5 K CB -0.868 31.668 32.500 0.060 0.000 0.762 5 K HN 0.760 nan 8.250 nan 0.000 0.472 6 N N -0.150 118.593 118.700 0.073 0.000 2.398 6 N HA 0.169 4.909 4.740 0.001 0.000 0.188 6 N C -0.381 175.097 175.510 -0.053 0.000 1.122 6 N CA 0.158 53.304 53.050 0.160 0.000 0.866 6 N CB 0.211 38.858 38.487 0.268 0.000 0.970 6 N HN 0.497 nan 8.380 nan 0.000 0.462 7 I N 1.649 122.164 120.570 -0.093 0.000 2.330 7 I HA 0.141 4.311 4.170 0.001 0.000 0.289 7 I C -0.157 175.869 176.117 -0.152 0.000 1.001 7 I CA -0.794 60.471 61.300 -0.058 0.000 1.193 7 I CB 1.038 39.100 38.000 0.104 0.000 1.345 7 I HN -0.364 nan 8.210 nan 0.000 0.461 8 K N 6.396 126.666 120.400 -0.216 0.000 2.297 8 K HA 0.397 4.717 4.320 0.001 0.000 0.286 8 K C -0.617 175.984 176.600 0.002 0.000 1.053 8 K CA -0.559 55.628 56.287 -0.167 0.000 0.940 8 K CB 1.217 33.642 32.500 -0.125 0.000 1.019 8 K HN 0.378 nan 8.250 nan 0.000 0.475 9 K N 0.315 120.708 120.400 -0.012 0.000 2.259 9 K HA 0.413 4.734 4.320 0.001 0.000 0.252 9 K C 0.229 176.824 176.600 -0.009 0.000 0.936 9 K CA -0.586 55.701 56.287 0.001 0.000 0.810 9 K CB 1.775 34.265 32.500 -0.016 0.000 1.143 9 K HN 0.683 nan 8.250 nan 0.000 0.427 10 G N 2.571 111.355 108.800 -0.028 0.000 2.527 10 G HA2 0.275 4.236 3.960 0.001 0.000 0.248 10 G HA3 0.275 4.236 3.960 0.001 0.000 0.248 10 G C -2.046 172.784 174.900 -0.117 0.000 1.231 10 G CA -0.889 44.152 45.100 -0.098 0.000 0.838 10 G HN 0.387 nan 8.290 nan 0.000 0.570 11 P HA 0.322 nan 4.420 nan 0.000 0.286 11 P C -0.059 177.149 177.300 -0.153 0.000 1.293 11 P CA -0.232 62.824 63.100 -0.074 0.000 0.770 11 P CB 0.653 32.369 31.700 0.027 0.000 1.206 12 A N 0.857 123.613 122.820 -0.107 0.000 2.440 12 A HA 0.405 4.725 4.320 0.001 0.000 0.251 12 A C -1.746 175.756 177.584 -0.137 0.000 1.089 12 A CA -1.111 50.833 52.037 -0.156 0.000 0.779 12 A CB -1.284 17.664 19.000 -0.087 0.000 1.022 12 A HN 0.434 nan 8.150 nan 0.000 0.492 13 P HA 0.057 nan 4.420 nan 0.000 0.272 13 P C 0.311 177.666 177.300 0.093 0.000 1.230 13 P CA -0.153 62.896 63.100 -0.085 0.000 0.788 13 P CB 0.487 32.065 31.700 -0.203 0.000 0.949 14 F N 1.511 121.515 119.950 0.090 0.000 2.293 14 F HA 0.054 4.582 4.527 0.001 0.000 0.297 14 F C 0.452 176.315 175.800 0.105 0.000 1.089 14 F CA 0.651 58.715 58.000 0.106 0.000 1.377 14 F CB -0.142 38.958 39.000 0.166 0.000 1.051 14 F HN 0.182 nan 8.300 nan 0.000 0.511 15 Y N 2.004 122.363 120.300 0.099 0.000 2.345 15 Y HA 0.421 4.972 4.550 0.001 0.000 0.331 15 Y C -2.327 173.621 175.900 0.081 0.000 0.959 15 Y CA -3.294 54.815 58.100 0.015 0.000 1.204 15 Y CB 0.594 39.148 38.460 0.156 0.000 1.135 15 Y HN -0.125 nan 8.280 nan 0.000 0.477 16 P HA -0.065 nan 4.420 nan 0.000 0.268 16 P C -0.910 176.551 177.300 0.268 0.000 1.208 16 P CA -0.272 62.902 63.100 0.124 0.000 0.777 16 P CB 0.595 32.284 31.700 -0.018 0.000 0.875 17 L N 2.676 124.090 121.223 0.319 0.000 2.477 17 L HA 0.043 4.384 4.340 0.001 0.000 0.272 17 L C 0.340 177.274 176.870 0.107 0.000 1.157 17 L CA 0.776 55.711 54.840 0.158 0.000 0.889 17 L CB -0.597 41.442 42.059 -0.035 0.000 1.158 17 L HN 0.325 nan 8.230 nan 0.000 0.473 18 E N 3.717 123.989 120.200 0.120 0.000 2.319 18 E HA 0.183 4.533 4.350 0.001 0.000 0.268 18 E C -0.724 175.906 176.600 0.051 0.000 1.050 18 E CA -0.844 55.616 56.400 0.100 0.000 0.878 18 E CB 0.793 30.581 29.700 0.148 0.000 1.066 18 E HN 0.598 nan 8.360 nan 0.000 0.406 19 D N 0.367 120.785 120.400 0.030 0.000 2.361 19 D HA 0.339 4.979 4.640 0.001 0.000 0.239 19 D C 0.542 176.843 176.300 0.003 0.000 1.200 19 D CA 0.639 54.641 54.000 0.002 0.000 0.915 19 D CB 0.956 41.749 40.800 -0.011 0.000 1.170 19 D HN 0.655 nan 8.370 nan 0.000 0.444 20 G N -0.204 108.578 108.800 -0.029 0.000 2.619 20 G HA2 0.000 3.961 3.960 0.001 0.000 0.686 20 G HA3 0.000 3.961 3.960 0.001 0.000 0.686 20 G C 0.071 174.945 174.900 -0.043 0.000 1.256 20 G CA -0.313 44.755 45.100 -0.055 0.000 0.826 20 G HN 0.648 nan 8.290 nan 0.000 0.619 21 T N -1.103 113.372 114.554 -0.132 0.000 2.788 21 T HA 0.680 5.030 4.350 0.001 0.000 0.287 21 T C 1.954 176.773 174.700 0.198 0.000 1.007 21 T CA 0.787 62.836 62.100 -0.086 0.000 1.005 21 T CB 1.375 69.893 68.868 -0.582 0.000 1.012 21 T HN 2.250 nan 8.240 nan 0.000 0.530 22 A N 0.971 124.082 122.820 0.485 0.000 1.933 22 A HA 0.157 4.478 4.320 0.001 0.000 0.218 22 A C 2.468 180.406 177.584 0.589 0.000 1.175 22 A CA 1.738 54.103 52.037 0.548 0.000 0.628 22 A CB -1.634 17.611 19.000 0.409 0.000 0.814 22 A HN 1.101 nan 8.150 nan 0.000 0.444 23 G N -0.615 108.553 108.800 0.614 0.000 2.408 23 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 23 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 23 G C 1.426 176.604 174.900 0.464 0.000 1.150 23 G CA 0.905 46.408 45.100 0.673 0.000 0.776 23 G HN 0.655 nan 8.290 nan 0.000 0.542 24 E N 0.187 120.515 120.200 0.214 0.000 2.072 24 E HA -0.109 4.241 4.350 0.001 0.000 0.191 24 E C 2.682 179.373 176.600 0.151 0.000 0.985 24 E CA 0.831 57.279 56.400 0.080 0.000 0.801 24 E CB -0.092 29.578 29.700 -0.050 0.000 0.750 24 E HN 0.517 nan 8.360 nan 0.000 0.452 25 Q N 0.397 120.319 119.800 0.202 0.000 2.119 25 Q HA -0.112 4.229 4.340 0.001 0.000 0.201 25 Q C 2.369 178.445 176.000 0.126 0.000 0.972 25 Q CA 0.859 56.765 55.803 0.173 0.000 0.847 25 Q CB -0.042 28.863 28.738 0.278 0.000 0.903 25 Q HN 0.303 nan 8.270 nan 0.000 0.433 26 L N 0.053 121.420 121.223 0.240 0.000 2.027 26 L HA -0.205 4.136 4.340 0.001 0.000 0.206 26 L C 2.732 179.794 176.870 0.321 0.000 1.074 26 L CA 1.189 56.176 54.840 0.244 0.000 0.745 26 L CB -0.651 41.672 42.059 0.440 0.000 0.898 26 L HN 0.397 nan 8.230 nan 0.000 0.433 27 H N 0.933 120.133 119.070 0.216 0.000 2.319 27 H HA -0.240 4.316 4.556 0.001 0.000 0.299 27 H C 2.267 177.623 175.328 0.047 0.000 1.092 27 H CA 2.244 58.276 56.048 -0.026 0.000 1.302 27 H CB 0.188 29.689 29.762 -0.436 0.000 1.373 27 H HN 0.236 nan 8.280 nan 0.000 0.497 28 K N 0.241 120.697 120.400 0.094 0.000 2.009 28 K HA -0.123 4.198 4.320 0.001 0.000 0.210 28 K C 2.417 178.909 176.600 -0.180 0.000 1.049 28 K CA 1.351 57.624 56.287 -0.024 0.000 0.929 28 K CB -0.207 32.298 32.500 0.009 0.000 0.714 28 K HN 0.258 nan 8.250 nan 0.000 0.440 29 A N 1.296 124.027 122.820 -0.149 0.000 1.851 29 A HA -0.196 4.124 4.320 0.001 0.000 0.216 29 A C 2.202 179.574 177.584 -0.352 0.000 1.195 29 A CA 2.084 53.957 52.037 -0.273 0.000 0.622 29 A CB -0.623 18.301 19.000 -0.127 0.000 0.831 29 A HN 0.401 nan 8.150 nan 0.000 0.444 30 M N -0.903 118.675 119.600 -0.037 0.000 2.202 30 M HA -0.171 4.309 4.480 0.001 0.000 0.262 30 M C 2.218 178.349 176.300 -0.281 0.000 1.063 30 M CA 1.961 57.339 55.300 0.130 0.000 1.097 30 M CB -0.334 32.540 32.600 0.457 0.000 1.382 30 M HN 0.503 nan 8.290 nan 0.000 0.413 31 K N 1.203 121.192 120.400 -0.684 0.000 2.026 31 K HA -0.192 4.128 4.320 0.001 0.000 0.208 31 K C 2.120 178.359 176.600 -0.601 0.000 1.048 31 K CA 1.630 57.218 56.287 -1.164 0.000 0.929 31 K CB -0.063 31.852 32.500 -0.976 0.000 0.713 31 K HN 0.390 nan 8.250 nan 0.000 0.439 32 R N -0.825 119.361 120.500 -0.523 0.000 2.096 32 R HA -0.163 4.177 4.340 0.001 0.000 0.235 32 R C 1.743 177.798 176.300 -0.407 0.000 1.127 32 R CA 1.539 57.366 56.100 -0.455 0.000 0.968 32 R CB -0.762 29.222 30.300 -0.526 0.000 0.861 32 R HN 0.195 nan 8.270 nan 0.000 0.440 33 Y N 1.393 121.520 120.300 -0.288 0.000 2.263 33 Y HA 0.116 4.666 4.550 0.001 0.000 0.292 33 Y C 2.842 178.672 175.900 -0.117 0.000 1.130 33 Y CA 0.511 58.419 58.100 -0.319 0.000 1.179 33 Y CB -0.701 37.292 38.460 -0.779 0.000 0.998 33 Y HN 0.221 nan 8.280 nan 0.000 0.532 34 A N 0.136 122.987 122.820 0.052 0.000 2.024 34 A HA -0.139 4.181 4.320 0.001 0.000 0.220 34 A C 2.129 179.788 177.584 0.126 0.000 1.164 34 A CA 1.333 53.457 52.037 0.146 0.000 0.643 34 A CB -1.111 17.905 19.000 0.027 0.000 0.806 34 A HN 0.492 nan 8.150 nan 0.000 0.451 35 L N -0.344 120.892 121.223 0.022 0.000 2.465 35 L HA -0.011 4.330 4.340 0.001 0.000 0.224 35 L C -0.173 176.701 176.870 0.006 0.000 1.145 35 L CA 0.114 54.952 54.840 -0.004 0.000 0.834 35 L CB -0.150 41.873 42.059 -0.060 0.000 0.944 35 L HN 0.124 nan 8.230 nan 0.000 0.451 36 V N 0.794 120.730 119.914 0.037 0.000 2.277 36 V HA 0.265 4.386 4.120 0.001 0.000 0.269 36 V C -2.169 173.972 176.094 0.079 0.000 1.036 36 V CA -1.680 60.647 62.300 0.045 0.000 0.821 36 V CB 0.702 32.553 31.823 0.046 0.000 1.052 36 V HN -0.023 nan 8.190 nan 0.000 0.462 37 P HA 0.220 nan 4.420 nan 0.000 0.264 37 P C 1.112 178.463 177.300 0.085 0.000 1.183 37 P CA 1.409 64.559 63.100 0.084 0.000 0.763 37 P CB 0.687 32.422 31.700 0.059 0.000 0.807 38 G N 1.643 110.506 108.800 0.104 0.000 2.217 38 G HA2 -0.227 3.734 3.960 0.001 0.000 0.246 38 G HA3 -0.227 3.734 3.960 0.001 0.000 0.246 38 G C 0.291 175.256 174.900 0.108 0.000 0.990 38 G CA 0.021 45.177 45.100 0.094 0.000 0.627 38 G HN 0.588 nan 8.290 nan 0.000 0.522 39 T N 2.332 116.970 114.554 0.140 0.000 2.784 39 T HA 0.451 4.801 4.350 0.001 0.000 0.291 39 T C 0.929 175.778 174.700 0.248 0.000 0.942 39 T CA 0.250 62.454 62.100 0.172 0.000 1.161 39 T CB 0.607 69.578 68.868 0.171 0.000 0.885 39 T HN 0.362 nan 8.240 nan 0.000 0.534 40 I N 2.829 123.488 120.570 0.149 0.000 2.416 40 I HA 0.281 4.452 4.170 0.001 0.000 0.288 40 I C 1.270 177.334 176.117 -0.089 0.000 1.051 40 I CA -0.536 60.795 61.300 0.052 0.000 1.375 40 I CB 1.069 39.074 38.000 0.009 0.000 1.407 40 I HN 0.711 nan 8.210 nan 0.000 0.516 41 A N 6.662 129.249 122.820 -0.388 0.000 1.887 41 A HA 0.309 4.629 4.320 0.001 0.000 0.210 41 A C 0.435 177.513 177.584 -0.844 0.000 1.221 41 A CA 0.913 52.355 52.037 -0.992 0.000 0.635 41 A CB 0.158 18.430 19.000 -1.213 0.000 0.881 41 A HN 0.560 nan 8.150 nan 0.000 0.456 42 F N -1.300 118.478 119.950 -0.286 0.000 2.599 42 F HA 0.564 5.091 4.527 0.001 0.000 0.311 42 F C -0.442 175.304 175.800 -0.090 0.000 1.076 42 F CA -0.441 57.458 58.000 -0.167 0.000 0.937 42 F CB 2.503 41.444 39.000 -0.097 0.000 1.282 42 F HN -0.217 nan 8.300 nan 0.000 0.460 43 T N 1.036 115.646 114.554 0.094 0.000 2.937 43 T HA 0.164 4.514 4.350 0.001 0.000 0.297 43 T C -1.571 173.129 174.700 0.000 0.000 0.991 43 T CA -0.716 61.369 62.100 -0.024 0.000 0.990 43 T CB 1.471 70.177 68.868 -0.270 0.000 0.991 43 T HN 0.469 nan 8.240 nan 0.000 0.440 44 D N 2.568 123.010 120.400 0.071 0.000 2.339 44 D HA 0.352 4.992 4.640 0.001 0.000 0.241 44 D C 1.149 177.477 176.300 0.047 0.000 1.183 44 D CA -0.494 53.579 54.000 0.121 0.000 0.859 44 D CB 1.486 42.408 40.800 0.204 0.000 1.067 44 D HN 0.590 nan 8.370 nan 0.000 0.484 45 A N 4.996 127.781 122.820 -0.058 0.000 2.019 45 A HA -0.192 4.129 4.320 0.001 0.000 0.219 45 A C 1.729 179.224 177.584 -0.148 0.000 1.164 45 A CA 1.113 53.088 52.037 -0.103 0.000 0.644 45 A CB -0.437 18.440 19.000 -0.205 0.000 0.805 45 A HN 0.727 nan 8.150 nan 0.000 0.449 46 H N -0.098 118.944 119.070 -0.047 0.000 2.333 46 H HA -0.012 4.545 4.556 0.001 0.000 0.302 46 H C 2.025 177.371 175.328 0.031 0.000 1.075 46 H CA 1.736 57.748 56.048 -0.060 0.000 1.348 46 H CB -0.176 29.470 29.762 -0.194 0.000 1.393 46 H HN 0.731 nan 8.280 nan 0.000 0.509 47 I N -1.388 119.302 120.570 0.199 0.000 3.968 47 I HA 0.136 4.307 4.170 0.001 0.000 0.328 47 I C 0.024 176.211 176.117 0.117 0.000 1.290 47 I CA 0.211 61.600 61.300 0.148 0.000 1.163 47 I CB 0.273 38.365 38.000 0.153 0.000 1.024 47 I HN -0.031 nan 8.210 nan 0.000 0.413 48 E N 0.405 120.677 120.200 0.121 0.000 3.496 48 E HA -0.148 4.202 4.350 0.001 0.000 0.300 48 E C -0.113 176.558 176.600 0.118 0.000 0.877 48 E CA 0.389 56.870 56.400 0.134 0.000 1.050 48 E CB -1.597 28.174 29.700 0.118 0.000 1.532 48 E HN 0.431 nan 8.360 nan 0.000 0.447 49 V N 1.715 121.694 119.914 0.108 0.000 2.583 49 V HA 0.178 4.299 4.120 0.001 0.000 0.287 49 V C 0.634 176.788 176.094 0.101 0.000 1.051 49 V CA -0.299 62.061 62.300 0.101 0.000 1.010 49 V CB 1.328 33.210 31.823 0.098 0.000 0.988 49 V HN 0.152 nan 8.190 nan 0.000 0.478 50 N N 3.888 122.646 118.700 0.097 0.000 2.405 50 N HA 0.571 5.311 4.740 0.001 0.000 0.299 50 N C -0.925 174.658 175.510 0.122 0.000 1.075 50 N CA -0.410 52.697 53.050 0.095 0.000 0.884 50 N CB 2.952 41.486 38.487 0.078 0.000 1.194 50 N HN 0.637 nan 8.380 nan 0.000 0.491 51 I N 1.137 121.799 120.570 0.153 0.000 2.447 51 I HA 0.211 4.382 4.170 0.001 0.000 0.287 51 I C 0.436 176.657 176.117 0.172 0.000 1.023 51 I CA -0.425 60.995 61.300 0.200 0.000 1.083 51 I CB 1.346 39.524 38.000 0.297 0.000 1.245 51 I HN 0.535 nan 8.210 nan 0.000 0.434 52 T N 2.803 117.458 114.554 0.169 0.000 2.788 52 T HA 0.190 4.541 4.350 0.001 0.000 0.287 52 T C 0.972 175.786 174.700 0.191 0.000 1.007 52 T CA 0.088 62.284 62.100 0.160 0.000 1.005 52 T CB 0.695 69.675 68.868 0.185 0.000 1.012 52 T HN 0.549 nan 8.240 nan 0.000 0.530 53 Y N 0.717 121.127 120.300 0.182 0.000 2.224 53 Y HA 0.014 4.564 4.550 0.001 0.000 0.289 53 Y C 2.949 179.034 175.900 0.308 0.000 1.146 53 Y CA 1.791 60.028 58.100 0.228 0.000 1.182 53 Y CB -0.942 37.617 38.460 0.165 0.000 0.983 53 Y HN 0.860 nan 8.280 nan 0.000 0.524 54 A N 0.190 123.252 122.820 0.403 0.000 1.858 54 A HA -0.245 4.075 4.320 0.001 0.000 0.216 54 A C 2.051 179.857 177.584 0.370 0.000 1.190 54 A CA 2.043 54.314 52.037 0.390 0.000 0.617 54 A CB -0.697 18.489 19.000 0.310 0.000 0.827 54 A HN 0.523 nan 8.150 nan 0.000 0.443 55 E N -1.777 118.597 120.200 0.291 0.000 2.077 55 E HA -0.210 4.140 4.350 0.001 0.000 0.193 55 E C 1.910 178.620 176.600 0.184 0.000 0.989 55 E CA 1.513 58.047 56.400 0.222 0.000 0.800 55 E CB -0.311 29.504 29.700 0.193 0.000 0.746 55 E HN 0.745 nan 8.360 nan 0.000 0.452 56 Y N -0.092 120.312 120.300 0.174 0.000 2.145 56 Y HA -0.243 4.307 4.550 0.001 0.000 0.286 56 Y C 2.102 178.110 175.900 0.180 0.000 1.145 56 Y CA 1.648 59.837 58.100 0.149 0.000 1.148 56 Y CB -0.230 38.303 38.460 0.122 0.000 0.981 56 Y HN 0.065 nan 8.280 nan 0.000 0.507 57 F N 0.984 121.100 119.950 0.276 0.000 2.102 57 F HA -0.216 4.311 4.527 0.001 0.000 0.298 57 F C 2.106 177.952 175.800 0.077 0.000 1.105 57 F CA 2.161 60.279 58.000 0.196 0.000 1.239 57 F CB -0.528 38.544 39.000 0.121 0.000 0.991 57 F HN 0.065 nan 8.300 nan 0.000 0.474 58 E N -0.388 119.817 120.200 0.009 0.000 2.077 58 E HA -0.273 4.077 4.350 0.001 0.000 0.193 58 E C 2.081 178.597 176.600 -0.140 0.000 0.989 58 E CA 1.655 57.988 56.400 -0.112 0.000 0.800 58 E CB -0.336 29.440 29.700 0.126 0.000 0.746 58 E HN 0.398 nan 8.360 nan 0.000 0.452 59 M N 0.431 119.956 119.600 -0.126 0.000 2.175 59 M HA -0.077 4.404 4.480 0.001 0.000 0.264 59 M C 2.040 178.180 176.300 -0.267 0.000 1.063 59 M CA 1.511 56.677 55.300 -0.222 0.000 1.119 59 M CB 0.034 32.451 32.600 -0.305 0.000 1.377 59 M HN -0.139 nan 8.290 nan 0.000 0.415 60 S N -0.652 114.908 115.700 -0.234 0.000 2.368 60 S HA -0.096 4.374 4.470 0.001 0.000 0.224 60 S C 1.937 176.440 174.600 -0.162 0.000 1.029 60 S CA 1.459 59.531 58.200 -0.214 0.000 0.988 60 S CB -0.573 62.567 63.200 -0.101 0.000 0.838 60 S HN 0.389 nan 8.310 nan 0.000 0.462 61 V N 1.908 121.698 119.914 -0.205 0.000 2.427 61 V HA -0.151 3.970 4.120 0.001 0.000 0.248 61 V C 2.433 178.266 176.094 -0.436 0.000 1.051 61 V CA 1.620 63.658 62.300 -0.436 0.000 1.048 61 V CB -0.560 30.854 31.823 -0.682 0.000 0.666 61 V HN 0.362 nan 8.190 nan 0.000 0.456 62 R N -0.603 119.744 120.500 -0.255 0.000 2.092 62 R HA -0.062 4.278 4.340 0.001 0.000 0.231 62 R C 2.262 178.378 176.300 -0.307 0.000 1.119 62 R CA 1.240 57.170 56.100 -0.283 0.000 0.970 62 R CB -0.327 29.878 30.300 -0.159 0.000 0.864 62 R HN 0.400 nan 8.270 nan 0.000 0.440 63 L N -0.051 121.033 121.223 -0.231 0.000 2.093 63 L HA -0.117 4.223 4.340 0.001 0.000 0.208 63 L C 2.576 179.392 176.870 -0.090 0.000 1.085 63 L CA 1.018 55.781 54.840 -0.129 0.000 0.755 63 L CB -0.415 41.532 42.059 -0.187 0.000 0.904 63 L HN 0.248 nan 8.230 nan 0.000 0.435 64 A N -0.076 122.659 122.820 -0.140 0.000 1.858 64 A HA -0.272 4.048 4.320 0.001 0.000 0.216 64 A C 2.171 179.757 177.584 0.004 0.000 1.190 64 A CA 1.996 54.025 52.037 -0.014 0.000 0.617 64 A CB -0.521 18.532 19.000 0.088 0.000 0.827 64 A HN 0.382 nan 8.150 nan 0.000 0.443 65 E N 0.157 120.252 120.200 -0.175 0.000 2.051 65 E HA -0.066 4.284 4.350 0.001 0.000 0.192 65 E C 2.027 178.537 176.600 -0.149 0.000 0.991 65 E CA 1.667 57.994 56.400 -0.122 0.000 0.799 65 E CB -0.491 28.923 29.700 -0.476 0.000 0.748 65 E HN 0.460 nan 8.360 nan 0.000 0.449 66 A N 0.346 123.029 122.820 -0.227 0.000 1.908 66 A HA -0.201 4.119 4.320 0.001 0.000 0.218 66 A C 2.326 179.840 177.584 -0.117 0.000 1.181 66 A CA 1.972 53.870 52.037 -0.231 0.000 0.627 66 A CB -0.576 18.224 19.000 -0.333 0.000 0.818 66 A HN 0.370 nan 8.150 nan 0.000 0.445 67 M N -1.039 118.605 119.600 0.073 0.000 2.132 67 M HA -0.131 4.349 4.480 0.001 0.000 0.263 67 M C 2.284 178.652 176.300 0.114 0.000 1.065 67 M CA 1.950 57.349 55.300 0.165 0.000 1.122 67 M CB -0.306 32.390 32.600 0.160 0.000 1.365 67 M HN 0.524 nan 8.290 nan 0.000 0.411 68 K N 0.364 120.817 120.400 0.087 0.000 2.009 68 K HA -0.174 4.146 4.320 0.001 0.000 0.210 68 K C 2.110 178.742 176.600 0.054 0.000 1.049 68 K CA 1.363 57.702 56.287 0.088 0.000 0.929 68 K CB 0.020 32.600 32.500 0.132 0.000 0.714 68 K HN 0.124 nan 8.250 nan 0.000 0.440 69 R N -0.257 120.262 120.500 0.032 0.000 2.120 69 R HA -0.170 4.170 4.340 0.001 0.000 0.234 69 R C 2.235 178.549 176.300 0.023 0.000 1.123 69 R CA 1.355 57.470 56.100 0.026 0.000 0.975 69 R CB -0.802 29.510 30.300 0.021 0.000 0.866 69 R HN 0.458 nan 8.270 nan 0.000 0.446 70 Y N 0.376 120.571 120.300 -0.175 0.000 2.352 70 Y HA -0.080 4.470 4.550 0.001 0.000 0.292 70 Y C 1.273 177.101 175.900 -0.119 0.000 1.136 70 Y CA 1.674 59.636 58.100 -0.231 0.000 1.227 70 Y CB 0.167 38.440 38.460 -0.311 0.000 0.991 70 Y HN 0.308 nan 8.280 nan 0.000 0.545 71 G N -0.423 108.335 108.800 -0.070 0.000 2.198 71 G HA2 -0.147 3.814 3.960 0.001 0.000 0.156 71 G HA3 -0.147 3.814 3.960 0.001 0.000 0.156 71 G C -0.363 174.389 174.900 -0.246 0.000 1.012 71 G CA -0.060 44.941 45.100 -0.164 0.000 0.692 71 G HN 0.221 nan 8.290 nan 0.000 0.492 72 L N 1.146 122.271 121.223 -0.163 0.000 2.334 72 L HA 0.659 4.999 4.340 0.001 0.000 0.277 72 L C 0.489 177.332 176.870 -0.044 0.000 1.075 72 L CA -0.557 54.089 54.840 -0.323 0.000 0.804 72 L CB 1.271 43.266 42.059 -0.107 0.000 1.174 72 L HN 0.535 nan 8.230 nan 0.000 0.438 73 N N -1.904 116.880 118.700 0.141 0.000 3.439 73 N HA 0.156 4.896 4.740 0.001 0.000 0.313 73 N C 0.440 176.062 175.510 0.185 0.000 1.598 73 N CA -0.238 52.914 53.050 0.171 0.000 0.830 73 N CB 0.297 38.876 38.487 0.153 0.000 1.849 73 N HN 0.439 nan 8.380 nan 0.000 0.598 74 T N -3.259 111.322 114.554 0.045 0.000 2.996 74 T HA -0.096 4.255 4.350 0.001 0.000 0.271 74 T C 0.406 175.092 174.700 -0.023 0.000 1.126 74 T CA 1.045 63.116 62.100 -0.049 0.000 1.103 74 T CB -0.710 68.065 68.868 -0.154 0.000 0.870 74 T HN 0.482 nan 8.240 nan 0.000 0.528 75 N N 0.955 119.652 118.700 -0.006 0.000 2.336 75 N HA 0.102 4.843 4.740 0.001 0.000 0.189 75 N C -0.399 174.890 175.510 -0.369 0.000 1.113 75 N CA 0.189 53.127 53.050 -0.186 0.000 0.858 75 N CB 0.190 38.520 38.487 -0.263 0.000 0.970 75 N HN 0.649 nan 8.380 nan 0.000 0.471 76 H N -0.503 118.570 119.070 0.004 0.000 2.771 76 H HA 0.570 5.126 4.556 0.001 0.000 0.367 76 H C -0.170 175.167 175.328 0.015 0.000 1.172 76 H CA -0.518 55.541 56.048 0.018 0.000 1.186 76 H CB 1.515 31.301 29.762 0.039 0.000 1.790 76 H HN -0.185 nan 8.280 nan 0.000 0.556 77 R N 0.700 121.289 120.500 0.149 0.000 2.725 77 R HA 0.580 4.921 4.340 0.001 0.000 0.277 77 R C -1.037 175.308 176.300 0.075 0.000 0.987 77 R CA -0.858 55.292 56.100 0.084 0.000 0.901 77 R CB 2.292 32.622 30.300 0.050 0.000 1.207 77 R HN 0.644 nan 8.270 nan 0.000 0.463 78 I N -2.072 118.530 120.570 0.053 0.000 2.892 78 I HA 0.725 4.896 4.170 0.001 0.000 0.306 78 I C -0.867 175.265 176.117 0.025 0.000 1.078 78 I CA -1.246 60.084 61.300 0.049 0.000 1.032 78 I CB 2.202 40.271 38.000 0.115 0.000 1.229 78 I HN 0.168 nan 8.210 nan 0.000 0.435 79 V N 4.377 124.301 119.914 0.016 0.000 2.555 79 V HA 0.475 4.596 4.120 0.001 0.000 0.302 79 V C -0.330 175.748 176.094 -0.026 0.000 1.038 79 V CA -0.620 61.672 62.300 -0.012 0.000 0.887 79 V CB 2.104 33.916 31.823 -0.018 0.000 0.991 79 V HN 0.565 nan 8.190 nan 0.000 0.434 80 V N 4.054 123.902 119.914 -0.110 0.000 2.326 80 V HA 0.314 4.434 4.120 0.001 0.000 0.281 80 V C -0.314 175.665 176.094 -0.191 0.000 1.015 80 V CA -0.450 61.705 62.300 -0.242 0.000 0.823 80 V CB 1.376 32.860 31.823 -0.566 0.000 1.009 80 V HN 0.967 nan 8.190 nan 0.000 0.436 81 C N 5.326 124.548 119.300 -0.131 0.000 2.294 81 C HA 0.844 5.305 4.460 0.001 0.000 0.319 81 C C 0.102 175.061 174.990 -0.053 0.000 1.164 81 C CA 0.048 59.025 59.018 -0.069 0.000 1.497 81 C CB -0.422 27.280 27.740 -0.063 0.000 2.061 81 C HN 0.954 nan 8.230 nan 0.000 0.438 82 S N 4.138 119.871 115.700 0.055 0.000 2.552 82 S HA 0.465 4.936 4.470 0.001 0.000 0.272 82 S C -1.083 173.639 174.600 0.203 0.000 1.150 82 S CA -0.486 57.764 58.200 0.084 0.000 0.849 82 S CB 1.315 64.543 63.200 0.046 0.000 1.113 82 S HN 0.875 nan 8.310 nan 0.000 0.458 83 E N 2.336 122.564 120.200 0.047 0.000 2.391 83 E HA 0.237 4.587 4.350 0.001 0.000 0.255 83 E C -0.550 176.031 176.600 -0.031 0.000 1.187 83 E CA -0.517 55.872 56.400 -0.019 0.000 0.941 83 E CB -0.060 29.550 29.700 -0.150 0.000 1.010 83 E HN 0.543 nan 8.360 nan 0.000 0.458 84 N N 0.419 118.999 118.700 -0.200 0.000 2.412 84 N HA 0.047 4.787 4.740 0.001 0.000 0.258 84 N C -0.478 175.002 175.510 -0.050 0.000 1.236 84 N CA 0.389 53.202 53.050 -0.396 0.000 0.882 84 N CB 0.406 38.413 38.487 -0.800 0.000 1.066 84 N HN 0.607 nan 8.380 nan 0.000 0.465 85 S N 0.135 115.920 115.700 0.141 0.000 2.643 85 S HA 0.377 4.847 4.470 0.001 0.000 0.270 85 S C 0.596 175.294 174.600 0.164 0.000 1.166 85 S CA -0.892 57.391 58.200 0.138 0.000 0.815 85 S CB 0.504 63.731 63.200 0.044 0.000 1.139 85 S HN 0.281 nan 8.310 nan 0.000 0.472 86 L N 0.434 121.720 121.223 0.105 0.000 2.291 86 L HA -0.020 4.320 4.340 0.001 0.000 0.214 86 L C 2.192 179.105 176.870 0.072 0.000 1.120 86 L CA 1.068 55.946 54.840 0.063 0.000 0.799 86 L CB -0.519 41.620 42.059 0.133 0.000 0.925 86 L HN 0.663 nan 8.230 nan 0.000 0.446 87 Q N -1.273 118.559 119.800 0.054 0.000 2.354 87 Q HA -0.040 4.300 4.340 0.001 0.000 0.203 87 Q C 1.736 177.715 176.000 -0.034 0.000 0.933 87 Q CA 0.507 56.299 55.803 -0.017 0.000 0.901 87 Q CB -0.230 28.485 28.738 -0.038 0.000 1.007 87 Q HN 0.265 nan 8.270 nan 0.000 0.495 88 F N 0.227 120.126 119.950 -0.085 0.000 2.048 88 F HA -0.301 4.226 4.527 0.001 0.000 0.296 88 F C 1.197 176.798 175.800 -0.331 0.000 1.109 88 F CA 1.708 59.606 58.000 -0.170 0.000 1.214 88 F CB -0.169 38.817 39.000 -0.023 0.000 0.963 88 F HN 0.103 nan 8.300 nan 0.000 0.491 89 F N -0.567 119.448 119.950 0.107 0.000 2.748 89 F HA -0.045 4.483 4.527 0.001 0.000 0.299 89 F C 2.122 177.926 175.800 0.007 0.000 1.154 89 F CA 0.379 58.417 58.000 0.065 0.000 1.446 89 F CB -0.604 38.442 39.000 0.076 0.000 1.112 89 F HN -0.003 nan 8.300 nan 0.000 0.584 90 M N 0.639 120.223 119.600 -0.027 0.000 2.059 90 M HA -0.153 4.328 4.480 0.001 0.000 0.259 90 M C -0.314 175.734 176.300 -0.420 0.000 1.072 90 M CA 2.127 57.254 55.300 -0.289 0.000 1.117 90 M CB -1.637 30.689 32.600 -0.458 0.000 1.320 90 M HN -0.122 nan 8.290 nan 0.000 0.408 91 P HA -0.049 nan 4.420 nan 0.000 0.221 91 P C 1.591 178.534 177.300 -0.596 0.000 1.150 91 P CA 1.197 63.750 63.100 -0.911 0.000 0.800 91 P CB -0.140 30.535 31.700 -1.708 0.000 0.787 92 V N 0.764 120.395 119.914 -0.471 0.000 2.261 92 V HA -0.231 3.889 4.120 0.001 0.000 0.246 92 V C 2.838 178.802 176.094 -0.217 0.000 1.047 92 V CA 1.707 63.827 62.300 -0.300 0.000 1.015 92 V CB -1.293 30.377 31.823 -0.256 0.000 0.642 92 V HN 0.007 nan 8.190 nan 0.000 0.446 93 L N 0.270 121.355 121.223 -0.231 0.000 2.046 93 L HA -0.073 4.267 4.340 0.001 0.000 0.208 93 L C 2.707 179.028 176.870 -0.915 0.000 1.077 93 L CA 1.739 56.278 54.840 -0.502 0.000 0.747 93 L CB -1.283 40.526 42.059 -0.418 0.000 0.896 93 L HN 0.485 nan 8.230 nan 0.000 0.432 94 G N -0.208 108.223 108.800 -0.615 0.000 2.476 94 G HA2 -0.300 3.661 3.960 0.001 0.000 0.218 94 G HA3 -0.300 3.661 3.960 0.001 0.000 0.218 94 G C 1.755 176.562 174.900 -0.155 0.000 1.164 94 G CA 0.962 45.823 45.100 -0.398 0.000 0.768 94 G HN 0.481 nan 8.290 nan 0.000 0.560 95 A N 0.489 123.221 122.820 -0.147 0.000 1.898 95 A HA 0.143 4.463 4.320 0.001 0.000 0.216 95 A C 2.440 180.104 177.584 0.133 0.000 1.181 95 A CA 1.228 53.266 52.037 0.002 0.000 0.620 95 A CB -0.393 18.583 19.000 -0.040 0.000 0.819 95 A HN 0.350 nan 8.150 nan 0.000 0.442 96 L N -1.415 119.873 121.223 0.108 0.000 2.131 96 L HA -0.156 4.184 4.340 0.001 0.000 0.210 96 L C 2.347 179.580 176.870 0.604 0.000 1.092 96 L CA 0.870 55.924 54.840 0.358 0.000 0.759 96 L CB -0.607 41.612 42.059 0.266 0.000 0.903 96 L HN 0.301 nan 8.230 nan 0.000 0.435 97 F N 0.548 120.696 119.950 0.330 0.000 2.216 97 F HA -0.141 4.387 4.527 0.001 0.000 0.300 97 F C 2.183 178.209 175.800 0.378 0.000 1.085 97 F CA 0.956 59.169 58.000 0.355 0.000 1.326 97 F CB -0.572 38.644 39.000 0.359 0.000 1.027 97 F HN 0.128 nan 8.300 nan 0.000 0.497 98 I N -3.629 117.259 120.570 0.529 0.000 3.976 98 I HA 0.515 4.685 4.170 0.001 0.000 0.337 98 I C 1.366 177.683 176.117 0.334 0.000 1.359 98 I CA 0.591 62.142 61.300 0.417 0.000 1.098 98 I CB -0.177 38.008 38.000 0.308 0.000 1.027 98 I HN 0.137 nan 8.210 nan 0.000 0.394 99 G N 1.784 110.792 108.800 0.346 0.000 2.147 99 G HA2 -0.208 3.752 3.960 0.001 0.000 0.244 99 G HA3 -0.208 3.752 3.960 0.001 0.000 0.244 99 G C 0.063 174.916 174.900 -0.079 0.000 1.005 99 G CA 0.170 45.156 45.100 -0.190 0.000 0.713 99 G HN 0.305 nan 8.290 nan 0.000 0.515 100 V N 0.976 120.940 119.914 0.082 0.000 2.498 100 V HA 0.669 4.789 4.120 0.001 0.000 0.279 100 V C 1.065 177.203 176.094 0.075 0.000 1.048 100 V CA -0.165 62.181 62.300 0.076 0.000 0.967 100 V CB 1.415 33.295 31.823 0.094 0.000 0.988 100 V HN 1.090 nan 8.190 nan 0.000 0.473 101 A N 5.412 128.265 122.820 0.055 0.000 2.450 101 A HA 0.520 4.840 4.320 0.001 0.000 0.255 101 A C -0.226 177.373 177.584 0.026 0.000 1.096 101 A CA -0.164 51.898 52.037 0.041 0.000 0.778 101 A CB 0.223 19.244 19.000 0.035 0.000 1.031 101 A HN 0.682 nan 8.150 nan 0.000 0.494 102 V N 2.093 122.010 119.914 0.004 0.000 2.394 102 V HA 0.561 4.681 4.120 0.001 0.000 0.282 102 V C 0.562 176.653 176.094 -0.005 0.000 1.031 102 V CA 0.035 62.320 62.300 -0.025 0.000 0.881 102 V CB 1.194 32.973 31.823 -0.073 0.000 0.982 102 V HN 1.085 nan 8.190 nan 0.000 0.451 103 A N 7.412 130.231 122.820 -0.001 0.000 2.508 103 A HA 0.751 5.071 4.320 0.001 0.000 0.336 103 A C -2.763 174.833 177.584 0.020 0.000 1.360 103 A CA -1.668 50.385 52.037 0.027 0.000 0.841 103 A CB 0.591 19.614 19.000 0.038 0.000 1.136 103 A HN 0.620 nan 8.150 nan 0.000 0.489 104 P HA 0.311 nan 4.420 nan 0.000 0.271 104 P C -0.213 177.133 177.300 0.075 0.000 1.233 104 P CA 0.341 63.492 63.100 0.085 0.000 0.764 104 P CB 1.186 33.004 31.700 0.198 0.000 0.825 105 A N 3.730 126.557 122.820 0.012 0.000 2.276 105 A HA 0.306 4.626 4.320 0.001 0.000 0.316 105 A C 0.327 177.724 177.584 -0.313 0.000 1.229 105 A CA -0.628 51.378 52.037 -0.052 0.000 0.851 105 A CB 0.044 19.054 19.000 0.017 0.000 1.165 105 A HN 0.460 nan 8.150 nan 0.000 0.513 106 N N 2.495 120.748 118.700 -0.744 0.000 2.374 106 N HA -0.094 4.647 4.740 0.001 0.000 0.269 106 N C 0.731 175.824 175.510 -0.695 0.000 1.310 106 N CA 0.515 52.768 53.050 -1.329 0.000 0.877 106 N CB 0.628 38.053 38.487 -1.771 0.000 1.096 106 N HN 0.705 nan 8.380 nan 0.000 0.484 107 D N 3.256 123.378 120.400 -0.463 0.000 2.350 107 D HA -0.171 4.470 4.640 0.001 0.000 0.216 107 D C 1.359 177.603 176.300 -0.093 0.000 0.968 107 D CA 0.705 54.607 54.000 -0.163 0.000 0.894 107 D CB -0.115 40.652 40.800 -0.055 0.000 0.909 107 D HN 0.760 nan 8.370 nan 0.000 0.520 108 I N -3.848 116.653 120.570 -0.116 0.000 3.914 108 I HA 0.228 4.398 4.170 0.001 0.000 0.333 108 I C -0.310 175.851 176.117 0.073 0.000 1.449 108 I CA -0.932 60.359 61.300 -0.015 0.000 1.135 108 I CB -0.320 37.681 38.000 0.001 0.000 1.073 108 I HN -0.341 nan 8.210 nan 0.000 0.401 109 Y N 4.173 124.439 120.300 -0.057 0.000 2.425 109 Y HA 0.187 4.737 4.550 0.001 0.000 0.331 109 Y C 0.857 176.738 175.900 -0.032 0.000 1.157 109 Y CA -1.196 56.878 58.100 -0.043 0.000 1.372 109 Y CB 0.366 38.791 38.460 -0.058 0.000 1.253 109 Y HN 0.422 nan 8.280 nan 0.000 0.536 110 N N 1.114 119.883 118.700 0.116 0.000 2.408 110 N HA 0.029 4.769 4.740 0.001 0.000 0.260 110 N C 0.537 176.051 175.510 0.007 0.000 1.242 110 N CA -0.324 52.750 53.050 0.040 0.000 0.959 110 N CB 0.297 38.792 38.487 0.014 0.000 1.201 110 N HN 0.594 nan 8.380 nan 0.000 0.511 111 E N -0.727 119.469 120.200 -0.007 0.000 2.233 111 E HA -0.308 4.043 4.350 0.001 0.000 0.199 111 E C 2.200 178.769 176.600 -0.053 0.000 1.004 111 E CA 2.225 58.612 56.400 -0.022 0.000 0.819 111 E CB -0.139 29.548 29.700 -0.021 0.000 0.738 111 E HN 0.688 nan 8.360 nan 0.000 0.478 112 R N 1.278 121.736 120.500 -0.070 0.000 2.062 112 R HA -0.135 4.205 4.340 0.001 0.000 0.229 112 R C 1.853 178.051 176.300 -0.170 0.000 1.128 112 R CA 1.740 57.781 56.100 -0.098 0.000 0.960 112 R CB -1.161 29.087 30.300 -0.087 0.000 0.855 112 R HN 0.260 nan 8.270 nan 0.000 0.432 113 E N 0.258 120.300 120.200 -0.264 0.000 2.150 113 E HA -0.085 4.265 4.350 0.001 0.000 0.193 113 E C 2.071 178.314 176.600 -0.595 0.000 0.985 113 E CA 0.972 57.016 56.400 -0.593 0.000 0.814 113 E CB -0.087 29.022 29.700 -0.984 0.000 0.752 113 E HN 0.294 nan 8.360 nan 0.000 0.466 114 L N 0.925 122.002 121.223 -0.243 0.000 2.017 114 L HA -0.152 4.188 4.340 0.001 0.000 0.208 114 L C 2.191 179.036 176.870 -0.043 0.000 1.073 114 L CA 1.326 56.159 54.840 -0.012 0.000 0.745 114 L CB -0.574 41.510 42.059 0.043 0.000 0.894 114 L HN 0.147 nan 8.230 nan 0.000 0.432 115 L N 0.011 121.193 121.223 -0.069 0.000 2.012 115 L HA -0.280 4.061 4.340 0.001 0.000 0.210 115 L C 2.356 179.191 176.870 -0.058 0.000 1.073 115 L CA 2.239 57.047 54.840 -0.053 0.000 0.748 115 L CB -1.071 40.955 42.059 -0.054 0.000 0.891 115 L HN 0.578 nan 8.230 nan 0.000 0.431 116 N N -1.498 117.144 118.700 -0.097 0.000 2.061 116 N HA -0.268 4.472 4.740 0.001 0.000 0.193 116 N C 2.019 177.500 175.510 -0.048 0.000 1.030 116 N CA 1.619 54.618 53.050 -0.085 0.000 0.856 116 N CB -0.100 38.309 38.487 -0.129 0.000 1.023 116 N HN 0.497 nan 8.380 nan 0.000 0.424 117 S N 0.465 116.139 115.700 -0.043 0.000 2.353 117 S HA -0.079 4.391 4.470 0.001 0.000 0.222 117 S C 2.066 176.693 174.600 0.046 0.000 1.035 117 S CA 1.215 59.444 58.200 0.049 0.000 1.025 117 S CB -0.158 63.146 63.200 0.172 0.000 0.902 117 S HN 0.365 nan 8.310 nan 0.000 0.440 118 M N 0.943 120.561 119.600 0.030 0.000 2.394 118 M HA 0.016 4.496 4.480 0.001 0.000 0.264 118 M C 1.972 178.278 176.300 0.010 0.000 1.073 118 M CA 0.974 56.286 55.300 0.020 0.000 1.111 118 M CB -0.467 32.138 32.600 0.009 0.000 1.401 118 M HN 0.374 nan 8.290 nan 0.000 0.448 119 N N 1.090 119.791 118.700 0.001 0.000 2.244 119 N HA -0.048 4.692 4.740 0.001 0.000 0.183 119 N C 1.379 176.893 175.510 0.007 0.000 1.016 119 N CA 1.087 54.135 53.050 -0.002 0.000 0.866 119 N CB 0.075 38.554 38.487 -0.013 0.000 0.980 119 N HN 0.293 nan 8.380 nan 0.000 0.430 120 I N -0.493 120.086 120.570 0.015 0.000 2.277 120 I HA -0.158 4.012 4.170 0.001 0.000 0.243 120 I C 2.117 178.254 176.117 0.034 0.000 1.094 120 I CA 0.937 62.253 61.300 0.027 0.000 1.393 120 I CB -0.319 37.706 38.000 0.041 0.000 1.078 120 I HN 0.235 nan 8.210 nan 0.000 0.417 121 S N -0.344 115.378 115.700 0.037 0.000 2.428 121 S HA -0.126 4.344 4.470 0.001 0.000 0.230 121 S C 0.949 175.565 174.600 0.026 0.000 1.014 121 S CA 0.131 58.353 58.200 0.037 0.000 0.957 121 S CB -0.242 62.983 63.200 0.043 0.000 0.784 121 S HN 0.428 nan 8.310 nan 0.000 0.499 122 Q N 1.626 121.437 119.800 0.019 0.000 2.437 122 Q HA -0.103 4.237 4.340 0.001 0.000 0.354 122 Q C -2.483 173.529 176.000 0.021 0.000 1.402 122 Q CA 0.829 56.640 55.803 0.014 0.000 1.020 122 Q CB -1.767 26.977 28.738 0.009 0.000 1.220 122 Q HN 0.557 nan 8.270 nan 0.000 0.368 123 P HA 0.123 nan 4.420 nan 0.000 0.278 123 P C 0.407 177.725 177.300 0.030 0.000 1.238 123 P CA -0.157 62.958 63.100 0.026 0.000 0.794 123 P CB 1.056 32.759 31.700 0.005 0.000 0.955 124 T N 0.596 115.188 114.554 0.063 0.000 2.937 124 T HA 0.083 4.433 4.350 0.001 0.000 0.260 124 T C 0.836 175.536 174.700 -0.000 0.000 1.051 124 T CA 0.870 63.019 62.100 0.083 0.000 1.141 124 T CB 0.057 69.043 68.868 0.197 0.000 0.879 124 T HN 0.233 nan 8.240 nan 0.000 0.459 125 V N 1.770 121.641 119.914 -0.072 0.000 2.735 125 V HA 0.555 4.675 4.120 0.001 0.000 0.310 125 V C -0.764 175.177 176.094 -0.255 0.000 1.061 125 V CA -0.923 61.227 62.300 -0.251 0.000 0.913 125 V CB 2.306 33.862 31.823 -0.445 0.000 1.005 125 V HN -0.021 nan 8.190 nan 0.000 0.428 126 V N 4.335 124.037 119.914 -0.353 0.000 2.444 126 V HA 0.513 4.634 4.120 0.001 0.000 0.294 126 V C -0.856 174.981 176.094 -0.429 0.000 1.022 126 V CA -0.477 61.660 62.300 -0.271 0.000 0.850 126 V CB 1.536 33.247 31.823 -0.186 0.000 0.992 126 V HN 0.667 nan 8.190 nan 0.000 0.426 127 F N 3.974 123.768 119.950 -0.260 0.000 2.410 127 F HA 0.710 5.237 4.527 0.001 0.000 0.349 127 F C 0.148 175.796 175.800 -0.253 0.000 1.117 127 F CA -0.371 57.460 58.000 -0.282 0.000 1.104 127 F CB 1.820 40.628 39.000 -0.320 0.000 1.122 127 F HN 0.309 nan 8.300 nan 0.000 0.483 128 V N 2.968 122.828 119.914 -0.091 0.000 3.049 128 V HA 0.603 4.723 4.120 0.001 0.000 0.309 128 V C -0.639 175.380 176.094 -0.125 0.000 1.148 128 V CA -0.657 61.572 62.300 -0.119 0.000 0.990 128 V CB 2.530 34.260 31.823 -0.155 0.000 1.039 128 V HN 0.799 nan 8.190 nan 0.000 0.430 129 S N 3.929 119.555 115.700 -0.124 0.000 2.617 129 S HA 0.371 4.841 4.470 0.001 0.000 0.269 129 S C 0.868 175.362 174.600 -0.177 0.000 1.292 129 S CA -0.160 57.951 58.200 -0.148 0.000 1.010 129 S CB 1.150 64.270 63.200 -0.134 0.000 0.944 129 S HN 0.780 nan 8.310 nan 0.000 0.536 130 K N 1.393 121.636 120.400 -0.263 0.000 2.089 130 K HA -0.200 4.121 4.320 0.001 0.000 0.210 130 K C 2.065 178.599 176.600 -0.110 0.000 1.048 130 K CA 2.012 58.110 56.287 -0.315 0.000 0.926 130 K CB -0.351 31.811 32.500 -0.562 0.000 0.714 130 K HN 0.837 nan 8.250 nan 0.000 0.448 131 K N -0.060 120.275 120.400 -0.108 0.000 2.442 131 K HA -0.037 4.283 4.320 0.001 0.000 0.198 131 K C 1.623 178.193 176.600 -0.051 0.000 1.042 131 K CA 1.451 57.702 56.287 -0.059 0.000 0.958 131 K CB 0.157 32.614 32.500 -0.071 0.000 0.766 131 K HN 0.153 nan 8.250 nan 0.000 0.474 132 G N 0.965 109.722 108.800 -0.071 0.000 3.126 132 G HA2 -0.009 3.951 3.960 0.001 0.000 0.224 132 G HA3 -0.009 3.951 3.960 0.001 0.000 0.224 132 G C 1.112 175.965 174.900 -0.079 0.000 1.142 132 G CA -0.322 44.739 45.100 -0.066 0.000 0.759 132 G HN 0.156 nan 8.290 nan 0.000 0.550 133 L N 1.159 122.333 121.223 -0.082 0.000 1.989 133 L HA -0.055 4.285 4.340 0.001 0.000 0.211 133 L C 3.108 179.914 176.870 -0.106 0.000 1.071 133 L CA 3.139 57.904 54.840 -0.125 0.000 0.749 133 L CB -0.961 41.055 42.059 -0.073 0.000 0.890 133 L HN 0.337 nan 8.230 nan 0.000 0.431 134 Q N -0.214 119.558 119.800 -0.047 0.000 2.045 134 Q HA -0.319 4.021 4.340 0.001 0.000 0.206 134 Q C 2.362 178.340 176.000 -0.037 0.000 0.991 134 Q CA 2.580 58.365 55.803 -0.030 0.000 0.851 134 Q CB -1.031 27.702 28.738 -0.008 0.000 0.911 134 Q HN 0.682 nan 8.270 nan 0.000 0.418 135 K N -0.309 120.070 120.400 -0.036 0.000 2.032 135 K HA -0.066 4.254 4.320 0.001 0.000 0.209 135 K C 2.125 178.699 176.600 -0.043 0.000 1.048 135 K CA 1.414 57.682 56.287 -0.030 0.000 0.927 135 K CB -0.261 32.227 32.500 -0.020 0.000 0.712 135 K HN 0.417 nan 8.250 nan 0.000 0.441 136 I N 1.403 121.932 120.570 -0.068 0.000 2.286 136 I HA -0.240 3.930 4.170 0.001 0.000 0.248 136 I C 2.234 178.300 176.117 -0.084 0.000 1.115 136 I CA 1.406 62.655 61.300 -0.085 0.000 1.392 136 I CB -0.910 37.012 38.000 -0.130 0.000 1.065 136 I HN 0.207 nan 8.210 nan 0.000 0.418 137 L N 0.459 121.628 121.223 -0.090 0.000 2.056 137 L HA -0.219 4.121 4.340 0.001 0.000 0.207 137 L C 2.266 179.123 176.870 -0.022 0.000 1.078 137 L CA 1.197 56.005 54.840 -0.053 0.000 0.749 137 L CB -0.630 41.411 42.059 -0.030 0.000 0.901 137 L HN 0.271 nan 8.230 nan 0.000 0.433 138 N N -0.361 118.325 118.700 -0.023 0.000 2.166 138 N HA -0.140 4.600 4.740 0.001 0.000 0.186 138 N C 1.823 177.322 175.510 -0.018 0.000 1.019 138 N CA 1.083 54.124 53.050 -0.015 0.000 0.856 138 N CB -0.442 38.035 38.487 -0.016 0.000 0.993 138 N HN 0.117 nan 8.380 nan 0.000 0.426 139 V N 1.312 121.211 119.914 -0.025 0.000 2.453 139 V HA -0.192 3.929 4.120 0.001 0.000 0.247 139 V C 2.541 178.623 176.094 -0.020 0.000 1.048 139 V CA 1.383 63.668 62.300 -0.024 0.000 1.049 139 V CB -0.562 31.244 31.823 -0.027 0.000 0.672 139 V HN 0.355 nan 8.190 nan 0.000 0.457 140 Q N 0.338 120.125 119.800 -0.022 0.000 2.096 140 Q HA -0.289 4.051 4.340 0.001 0.000 0.204 140 Q C 2.243 178.241 176.000 -0.002 0.000 0.982 140 Q CA 1.962 57.757 55.803 -0.013 0.000 0.850 140 Q CB -0.124 28.609 28.738 -0.009 0.000 0.901 140 Q HN 0.594 nan 8.270 nan 0.000 0.422 141 K N 0.088 120.488 120.400 -0.000 0.000 2.160 141 K HA -0.176 4.144 4.320 0.001 0.000 0.206 141 K C 1.835 178.434 176.600 -0.002 0.000 1.047 141 K CA 1.711 57.999 56.287 0.002 0.000 0.930 141 K CB 0.032 32.532 32.500 0.001 0.000 0.720 141 K HN 0.183 nan 8.250 nan 0.000 0.450 142 K N -0.041 120.355 120.400 -0.007 0.000 2.379 142 K HA 0.141 4.461 4.320 0.001 0.000 0.194 142 K C 0.038 176.633 176.600 -0.007 0.000 1.031 142 K CA 0.221 56.503 56.287 -0.009 0.000 1.037 142 K CB 0.511 33.002 32.500 -0.014 0.000 0.824 142 K HN 0.025 nan 8.250 nan 0.000 0.516 143 L N 2.704 123.924 121.223 -0.006 0.000 2.366 143 L HA 0.236 4.576 4.340 0.001 0.000 0.266 143 L C -1.833 175.038 176.870 0.002 0.000 1.010 143 L CA -1.622 53.216 54.840 -0.003 0.000 0.879 143 L CB 1.595 43.651 42.059 -0.006 0.000 1.228 143 L HN -0.136 nan 8.230 nan 0.000 0.439 144 P HA -0.182 nan 4.420 nan 0.000 0.223 144 P C 1.458 178.767 177.300 0.015 0.000 1.144 144 P CA 1.106 64.212 63.100 0.010 0.000 0.783 144 P CB 0.682 32.387 31.700 0.008 0.000 0.771 145 I N -0.511 120.067 120.570 0.014 0.000 2.614 145 I HA -0.050 4.120 4.170 0.001 0.000 0.258 145 I C 0.964 177.098 176.117 0.028 0.000 1.189 145 I CA 0.470 61.784 61.300 0.024 0.000 1.462 145 I CB -0.047 37.965 38.000 0.020 0.000 1.092 145 I HN -0.240 nan 8.210 nan 0.000 0.442 146 I N 1.815 122.393 120.570 0.014 0.000 2.389 146 I HA -0.043 4.127 4.170 0.001 0.000 0.295 146 I C 0.992 177.118 176.117 0.014 0.000 1.117 146 I CA 0.330 61.630 61.300 0.001 0.000 1.317 146 I CB 0.577 38.566 38.000 -0.019 0.000 1.431 146 I HN 0.313 nan 8.210 nan 0.000 0.521 147 Q N 4.001 123.819 119.800 0.029 0.000 2.373 147 Q HA 0.074 4.415 4.340 0.001 0.000 0.210 147 Q C 0.377 176.408 176.000 0.052 0.000 0.913 147 Q CA 0.531 56.370 55.803 0.059 0.000 0.911 147 Q CB 0.478 29.282 28.738 0.109 0.000 1.040 147 Q HN 0.369 nan 8.270 nan 0.000 0.521 148 K N 0.746 121.130 120.400 -0.026 0.000 2.513 148 K HA 0.318 4.638 4.320 0.001 0.000 0.251 148 K C -1.768 174.697 176.600 -0.224 0.000 0.939 148 K CA -0.328 55.897 56.287 -0.104 0.000 0.793 148 K CB 1.367 33.733 32.500 -0.222 0.000 1.241 148 K HN -0.152 nan 8.250 nan 0.000 0.431 149 I N 5.670 126.157 120.570 -0.139 0.000 2.404 149 I HA 0.473 4.644 4.170 0.001 0.000 0.293 149 I C -0.288 175.666 176.117 -0.272 0.000 0.992 149 I CA -0.783 60.368 61.300 -0.248 0.000 1.149 149 I CB 1.227 39.049 38.000 -0.297 0.000 1.315 149 I HN 0.631 nan 8.210 nan 0.000 0.446 150 I N 5.891 126.187 120.570 -0.457 0.000 2.466 150 I HA 0.354 4.525 4.170 0.001 0.000 0.289 150 I C -0.348 175.639 176.117 -0.217 0.000 1.026 150 I CA -0.752 60.307 61.300 -0.402 0.000 1.078 150 I CB 2.457 39.954 38.000 -0.838 0.000 1.249 150 I HN 0.207 nan 8.210 nan 0.000 0.429 151 I N 6.418 126.948 120.570 -0.067 0.000 2.396 151 I HA 0.158 4.328 4.170 0.001 0.000 0.289 151 I C 1.024 177.136 176.117 -0.008 0.000 1.056 151 I CA 0.215 61.488 61.300 -0.045 0.000 1.365 151 I CB 0.954 38.961 38.000 0.012 0.000 1.407 151 I HN 0.780 nan 8.210 nan 0.000 0.509 152 M N 3.891 123.471 119.600 -0.034 0.000 2.160 152 M HA -0.107 4.374 4.480 0.001 0.000 0.264 152 M C 0.548 176.839 176.300 -0.015 0.000 1.073 152 M CA 1.356 56.647 55.300 -0.015 0.000 1.142 152 M CB -0.214 32.346 32.600 -0.066 0.000 1.358 152 M HN 0.538 nan 8.290 nan 0.000 0.422 153 D N 0.069 120.423 120.400 -0.077 0.000 3.168 153 D HA 0.178 4.818 4.640 0.001 0.000 0.255 153 D C -0.482 175.758 176.300 -0.100 0.000 1.314 153 D CA 0.055 54.008 54.000 -0.080 0.000 0.900 153 D CB 0.250 40.977 40.800 -0.122 0.000 1.072 153 D HN -0.060 nan 8.370 nan 0.000 0.487 154 S N -0.503 115.177 115.700 -0.033 0.000 2.550 154 S HA 0.356 4.826 4.470 0.001 0.000 0.270 154 S C 0.337 174.954 174.600 0.029 0.000 1.145 154 S CA -0.677 57.507 58.200 -0.027 0.000 0.852 154 S CB 1.698 64.878 63.200 -0.033 0.000 1.119 154 S HN -0.049 nan 8.310 nan 0.000 0.465 155 K N 1.147 121.523 120.400 -0.041 0.000 2.172 155 K HA 0.166 4.487 4.320 0.001 0.000 0.203 155 K C 1.258 177.861 176.600 0.005 0.000 1.040 155 K CA 1.201 57.403 56.287 -0.141 0.000 0.974 155 K CB -0.777 31.582 32.500 -0.235 0.000 0.857 155 K HN 0.857 nan 8.250 nan 0.000 0.464 156 T N 0.150 114.723 114.554 0.031 0.000 2.810 156 T HA 0.231 4.581 4.350 0.001 0.000 0.277 156 T C 0.258 175.029 174.700 0.119 0.000 0.973 156 T CA -0.844 61.297 62.100 0.068 0.000 0.949 156 T CB 0.730 69.630 68.868 0.053 0.000 1.075 156 T HN -0.114 nan 8.240 nan 0.000 0.537 157 D N 0.175 120.644 120.400 0.116 0.000 2.378 157 D HA 0.171 4.812 4.640 0.001 0.000 0.238 157 D C -1.042 175.384 176.300 0.210 0.000 1.180 157 D CA 0.473 54.561 54.000 0.146 0.000 0.895 157 D CB 0.167 41.019 40.800 0.087 0.000 1.192 157 D HN 0.647 nan 8.370 nan 0.000 0.438 158 Y N 0.576 120.932 120.300 0.094 0.000 2.322 158 Y HA 0.129 4.679 4.550 0.001 0.000 0.324 158 Y C -0.325 175.673 175.900 0.163 0.000 1.027 158 Y CA -0.496 57.662 58.100 0.098 0.000 1.179 158 Y CB 0.627 39.135 38.460 0.079 0.000 1.136 158 Y HN 0.414 nan 8.280 nan 0.000 0.449 159 Q N 4.666 124.295 119.800 -0.284 0.000 2.463 159 Q HA -0.252 4.088 4.340 0.001 0.000 0.299 159 Q C 1.070 177.024 176.000 -0.078 0.000 1.353 159 Q CA 1.224 56.896 55.803 -0.218 0.000 0.828 159 Q CB -1.568 26.968 28.738 -0.337 0.000 1.157 159 Q HN 1.445 nan 8.270 nan 0.000 0.436 160 G N -1.504 107.218 108.800 -0.129 0.000 2.205 160 G HA2 -0.332 3.628 3.960 0.001 0.000 0.261 160 G HA3 -0.332 3.628 3.960 0.001 0.000 0.261 160 G C -0.107 174.549 174.900 -0.405 0.000 0.980 160 G CA 0.389 45.319 45.100 -0.282 0.000 0.632 160 G HN 0.354 nan 8.290 nan 0.000 0.533 161 F N 1.320 121.274 119.950 0.007 0.000 2.425 161 F HA 0.591 5.119 4.527 0.001 0.000 0.331 161 F C 0.974 176.804 175.800 0.050 0.000 1.085 161 F CA -0.759 57.254 58.000 0.022 0.000 1.028 161 F CB 1.070 40.086 39.000 0.026 0.000 1.177 161 F HN 0.025 nan 8.300 nan 0.000 0.487 162 Q N 1.022 120.947 119.800 0.208 0.000 2.354 162 Q HA 0.335 4.676 4.340 0.001 0.000 0.244 162 Q C 0.020 176.117 176.000 0.161 0.000 0.969 162 Q CA -0.506 55.399 55.803 0.170 0.000 0.885 162 Q CB 1.479 30.327 28.738 0.184 0.000 1.241 162 Q HN 0.818 nan 8.270 nan 0.000 0.461 163 S N 0.694 116.501 115.700 0.178 0.000 2.713 163 S HA 0.277 4.747 4.470 0.001 0.000 0.277 163 S C 1.046 175.761 174.600 0.192 0.000 1.168 163 S CA -0.680 57.626 58.200 0.176 0.000 0.994 163 S CB 0.682 64.014 63.200 0.219 0.000 1.054 163 S HN 0.665 nan 8.310 nan 0.000 0.555 164 M N -0.432 119.272 119.600 0.174 0.000 2.296 164 M HA -0.033 4.447 4.480 0.001 0.000 0.265 164 M C 1.381 177.702 176.300 0.034 0.000 1.064 164 M CA 1.468 56.839 55.300 0.118 0.000 1.109 164 M CB -0.614 31.966 32.600 -0.032 0.000 1.396 164 M HN 0.752 nan 8.290 nan 0.000 0.430 165 Y N 0.557 120.917 120.300 0.100 0.000 2.153 165 Y HA -0.165 4.386 4.550 0.001 0.000 0.289 165 Y C 3.129 179.072 175.900 0.073 0.000 1.127 165 Y CA 1.940 60.080 58.100 0.067 0.000 1.131 165 Y CB -1.136 37.348 38.460 0.039 0.000 0.995 165 Y HN 0.356 nan 8.280 nan 0.000 0.505 166 T N -2.022 112.680 114.554 0.246 0.000 2.821 166 T HA -0.237 4.113 4.350 0.001 0.000 0.267 166 T C 1.793 176.575 174.700 0.137 0.000 1.046 166 T CA 1.102 63.295 62.100 0.155 0.000 1.139 166 T CB -1.028 67.921 68.868 0.137 0.000 0.871 166 T HN 0.300 nan 8.240 nan 0.000 0.454 167 F N 2.137 122.120 119.950 0.055 0.000 2.134 167 F HA 0.001 4.528 4.527 0.001 0.000 0.299 167 F C 2.257 178.126 175.800 0.114 0.000 1.097 167 F CA 0.719 58.764 58.000 0.076 0.000 1.264 167 F CB -0.721 38.288 39.000 0.015 0.000 1.001 167 F HN -0.002 nan 8.300 nan 0.000 0.479 168 V N 0.209 120.092 119.914 -0.052 0.000 2.287 168 V HA -0.346 3.775 4.120 0.001 0.000 0.248 168 V C 2.381 178.357 176.094 -0.196 0.000 1.053 168 V CA 2.590 64.774 62.300 -0.194 0.000 1.027 168 V CB -0.990 30.760 31.823 -0.121 0.000 0.646 168 V HN 0.479 nan 8.190 nan 0.000 0.447 169 T N -0.476 114.019 114.554 -0.098 0.000 2.803 169 T HA -0.181 4.169 4.350 0.001 0.000 0.269 169 T C 1.944 176.544 174.700 -0.167 0.000 1.052 169 T CA 1.808 63.856 62.100 -0.086 0.000 1.136 169 T CB -0.254 68.604 68.868 -0.016 0.000 0.864 169 T HN 0.498 nan 8.240 nan 0.000 0.467 170 S N -0.056 115.485 115.700 -0.265 0.000 2.481 170 S HA -0.030 4.440 4.470 0.001 0.000 0.231 170 S C 1.328 175.476 174.600 -0.753 0.000 0.996 170 S CA 0.530 58.449 58.200 -0.469 0.000 0.942 170 S CB -0.138 62.732 63.200 -0.551 0.000 0.768 170 S HN 0.649 nan 8.310 nan 0.000 0.520 171 H N -0.874 118.015 119.070 -0.302 0.000 3.457 171 H HA 0.334 4.890 4.556 0.001 0.000 0.255 171 H C 0.158 175.346 175.328 -0.234 0.000 1.082 171 H CA -0.270 55.614 56.048 -0.274 0.000 1.189 171 H CB 0.315 29.839 29.762 -0.397 0.000 1.511 171 H HN 0.246 nan 8.280 nan 0.000 0.527 172 L N 4.979 126.097 121.223 -0.174 0.000 2.453 172 L HA 0.121 4.461 4.340 0.001 0.000 0.272 172 L C -1.677 175.143 176.870 -0.083 0.000 1.182 172 L CA -1.488 53.222 54.840 -0.217 0.000 0.858 172 L CB 0.354 42.253 42.059 -0.266 0.000 1.120 172 L HN -0.042 nan 8.230 nan 0.000 0.474 173 P HA 0.213 nan 4.420 nan 0.000 0.274 173 P C -2.598 174.761 177.300 0.098 0.000 1.237 173 P CA -1.412 61.719 63.100 0.052 0.000 0.793 173 P CB 0.015 31.775 31.700 0.099 0.000 0.977 174 P HA 0.025 nan 4.420 nan 0.000 0.268 174 P C 0.837 178.204 177.300 0.112 0.000 1.205 174 P CA 0.757 63.905 63.100 0.080 0.000 0.771 174 P CB -0.062 31.668 31.700 0.051 0.000 0.858 175 G N 1.616 110.484 108.800 0.113 0.000 2.153 175 G HA2 -0.295 3.665 3.960 0.001 0.000 0.252 175 G HA3 -0.295 3.665 3.960 0.001 0.000 0.252 175 G C -0.068 174.913 174.900 0.135 0.000 0.994 175 G CA -0.233 44.929 45.100 0.104 0.000 0.698 175 G HN 0.567 nan 8.290 nan 0.000 0.521 176 F N 1.385 121.366 119.950 0.052 0.000 2.608 176 F HA 0.397 4.925 4.527 0.001 0.000 0.380 176 F C 0.529 176.380 175.800 0.086 0.000 1.083 176 F CA -0.041 57.998 58.000 0.066 0.000 1.266 176 F CB 0.395 39.423 39.000 0.046 0.000 1.076 176 F HN 0.180 nan 8.300 nan 0.000 0.574 177 N N 4.107 122.332 118.700 -0.792 0.000 2.483 177 N HA 0.199 4.939 4.740 0.001 0.000 0.267 177 N C 0.336 175.373 175.510 -0.788 0.000 0.998 177 N CA -0.519 52.227 53.050 -0.507 0.000 0.918 177 N CB 1.030 39.409 38.487 -0.180 0.000 1.215 177 N HN 0.581 nan 8.380 nan 0.000 0.500 178 E N 1.384 121.300 120.200 -0.474 0.000 2.160 178 E HA -0.199 4.151 4.350 0.001 0.000 0.195 178 E C 0.333 176.847 176.600 -0.143 0.000 0.991 178 E CA 1.581 57.803 56.400 -0.297 0.000 0.810 178 E CB -0.071 29.560 29.700 -0.114 0.000 0.742 178 E HN 0.675 nan 8.360 nan 0.000 0.466 179 Y N 0.229 120.587 120.300 0.096 0.000 2.523 179 Y HA 0.023 4.574 4.550 0.001 0.000 0.279 179 Y C 1.255 177.244 175.900 0.149 0.000 1.139 179 Y CA 0.569 58.802 58.100 0.221 0.000 1.296 179 Y CB 0.335 38.883 38.460 0.147 0.000 1.045 179 Y HN -0.010 nan 8.280 nan 0.000 0.538 180 D N -0.649 119.836 120.400 0.142 0.000 2.346 180 D HA -0.054 4.586 4.640 0.001 0.000 0.206 180 D C 0.188 176.533 176.300 0.075 0.000 1.001 180 D CA 0.100 54.146 54.000 0.077 0.000 0.871 180 D CB -0.271 40.532 40.800 0.005 0.000 0.943 180 D HN 0.129 nan 8.370 nan 0.000 0.518 181 F N 1.868 121.783 119.950 -0.059 0.000 2.607 181 F HA 0.064 4.591 4.527 0.001 0.000 0.374 181 F C -0.160 175.601 175.800 -0.065 0.000 1.104 181 F CA 0.005 58.001 58.000 -0.007 0.000 1.296 181 F CB 0.556 39.599 39.000 0.072 0.000 1.085 181 F HN -0.365 nan 8.300 nan 0.000 0.584 182 V N 8.494 127.849 119.914 -0.932 0.000 2.409 182 V HA 0.333 4.453 4.120 0.001 0.000 0.291 182 V C -1.915 173.432 176.094 -1.245 0.000 1.020 182 V CA -1.700 60.097 62.300 -0.838 0.000 0.848 182 V CB 1.344 32.909 31.823 -0.430 0.000 0.990 182 V HN 0.700 nan 8.190 nan 0.000 0.430 183 P HA 0.152 nan 4.420 nan 0.000 0.269 183 P C -0.297 176.813 177.300 -0.317 0.000 1.215 183 P CA -0.295 62.469 63.100 -0.560 0.000 0.780 183 P CB 0.870 32.338 31.700 -0.387 0.000 0.898 184 E N 0.355 120.511 120.200 -0.073 0.000 2.415 184 E HA 0.115 4.466 4.350 0.001 0.000 0.262 184 E C 0.178 176.640 176.600 -0.230 0.000 1.038 184 E CA 0.327 56.723 56.400 -0.006 0.000 0.921 184 E CB 0.368 30.242 29.700 0.291 0.000 0.950 184 E HN 0.297 nan 8.360 nan 0.000 0.438 185 S N 1.605 117.176 115.700 -0.216 0.000 2.501 185 S HA 0.756 5.226 4.470 0.001 0.000 0.301 185 S C -1.147 173.294 174.600 -0.265 0.000 1.096 185 S CA -0.623 57.344 58.200 -0.388 0.000 1.063 185 S CB 0.162 63.237 63.200 -0.208 0.000 1.042 185 S HN 0.391 nan 8.310 nan 0.000 0.494 186 F N 0.387 120.291 119.950 -0.077 0.000 2.978 186 F HA 0.454 4.981 4.527 0.001 0.000 0.324 186 F C -1.120 174.632 175.800 -0.080 0.000 1.157 186 F CA -1.469 56.486 58.000 -0.075 0.000 0.879 186 F CB 0.031 38.981 39.000 -0.083 0.000 1.364 186 F HN 0.425 nan 8.300 nan 0.000 0.465 187 D N 0.973 121.533 120.400 0.268 0.000 2.346 187 D HA 0.241 4.881 4.640 0.001 0.000 0.260 187 D C 1.257 177.683 176.300 0.210 0.000 1.252 187 D CA -0.078 54.012 54.000 0.150 0.000 0.895 187 D CB 0.862 41.716 40.800 0.090 0.000 1.097 187 D HN 0.678 nan 8.370 nan 0.000 0.489 188 R N 2.090 122.671 120.500 0.134 0.000 2.285 188 R HA -0.043 4.298 4.340 0.001 0.000 0.213 188 R C 0.390 176.770 176.300 0.133 0.000 1.068 188 R CA 0.831 57.029 56.100 0.162 0.000 1.004 188 R CB 0.105 30.456 30.300 0.084 0.000 0.873 188 R HN 0.292 nan 8.270 nan 0.000 0.467 189 D N 0.918 121.362 120.400 0.074 0.000 2.216 189 D HA -0.021 4.620 4.640 0.001 0.000 0.208 189 D C 2.082 178.406 176.300 0.039 0.000 0.960 189 D CA 1.798 55.819 54.000 0.035 0.000 0.861 189 D CB 0.079 40.880 40.800 0.002 0.000 0.985 189 D HN 0.484 nan 8.370 nan 0.000 0.493 190 K N 0.641 121.070 120.400 0.047 0.000 2.284 190 K HA 0.116 4.437 4.320 0.001 0.000 0.198 190 K C 1.192 177.811 176.600 0.031 0.000 1.048 190 K CA 0.457 56.762 56.287 0.029 0.000 0.987 190 K CB -0.740 31.771 32.500 0.017 0.000 0.800 190 K HN 0.068 nan 8.250 nan 0.000 0.486 191 T N 3.053 117.638 114.554 0.053 0.000 2.761 191 T HA 0.379 4.729 4.350 0.001 0.000 0.296 191 T C 0.023 174.832 174.700 0.181 0.000 0.934 191 T CA -0.472 61.630 62.100 0.003 0.000 1.091 191 T CB 0.352 69.059 68.868 -0.268 0.000 0.896 191 T HN 0.202 nan 8.240 nan 0.000 0.515 192 I N 3.088 123.718 120.570 0.101 0.000 2.471 192 I HA 0.231 4.401 4.170 0.001 0.000 0.286 192 I C 1.215 177.387 176.117 0.092 0.000 1.079 192 I CA -0.355 61.003 61.300 0.097 0.000 1.398 192 I CB 0.422 38.448 38.000 0.043 0.000 1.403 192 I HN 0.763 nan 8.210 nan 0.000 0.530 193 A N 7.524 130.314 122.820 -0.049 0.000 1.881 193 A HA 0.264 4.585 4.320 0.001 0.000 0.210 193 A C 0.610 178.154 177.584 -0.067 0.000 1.239 193 A CA 0.809 52.675 52.037 -0.287 0.000 0.629 193 A CB 0.219 18.909 19.000 -0.516 0.000 0.906 193 A HN 0.498 nan 8.150 nan 0.000 0.460 194 L N -0.122 121.112 121.223 0.018 0.000 2.381 194 L HA 0.554 4.895 4.340 0.001 0.000 0.268 194 L C -1.116 175.804 176.870 0.083 0.000 0.997 194 L CA -0.149 54.733 54.840 0.069 0.000 0.818 194 L CB 1.532 43.690 42.059 0.165 0.000 1.310 194 L HN 0.275 nan 8.230 nan 0.000 0.416 195 I N 3.891 124.507 120.570 0.077 0.000 2.464 195 I HA 0.302 4.472 4.170 0.001 0.000 0.277 195 I C -0.229 175.953 176.117 0.108 0.000 1.040 195 I CA -0.233 61.118 61.300 0.086 0.000 1.153 195 I CB 1.277 39.319 38.000 0.071 0.000 1.274 195 I HN 0.374 nan 8.210 nan 0.000 0.469 196 M N 3.712 123.392 119.600 0.133 0.000 2.409 196 M HA 0.353 4.833 4.480 0.001 0.000 0.329 196 M C -0.286 176.115 176.300 0.170 0.000 1.180 196 M CA -0.469 54.923 55.300 0.153 0.000 1.053 196 M CB 0.782 33.479 32.600 0.163 0.000 1.586 196 M HN 0.346 nan 8.290 nan 0.000 0.461 197 N N 0.224 119.040 118.700 0.194 0.000 2.455 197 N HA 0.312 5.052 4.740 0.001 0.000 0.280 197 N C -0.101 175.548 175.510 0.232 0.000 1.055 197 N CA -0.300 52.882 53.050 0.221 0.000 0.961 197 N CB 1.118 39.770 38.487 0.275 0.000 1.121 197 N HN 0.675 nan 8.380 nan 0.000 0.476 202 T N 1.620 116.197 114.554 0.038 0.000 2.922 202 T HA 0.728 5.078 4.350 0.001 0.000 0.285 202 T C 0.776 175.485 174.700 0.015 0.000 1.005 202 T CA 0.525 62.645 62.100 0.033 0.000 1.061 202 T CB 0.453 69.341 68.868 0.033 0.000 1.007 202 T HN 1.956 nan 8.240 nan 0.000 0.502 203 G N 1.125 109.936 108.800 0.018 0.000 2.584 203 G HA2 -0.156 3.804 3.960 0.001 0.000 0.229 203 G HA3 -0.156 3.804 3.960 0.001 0.000 0.229 203 G C -0.816 174.080 174.900 -0.005 0.000 1.320 203 G CA -0.767 44.334 45.100 0.001 0.000 0.891 203 G HN 0.789 nan 8.290 nan 0.000 0.573 204 L N 2.555 123.763 121.223 -0.025 0.000 2.379 204 L HA 0.449 4.789 4.340 0.001 0.000 0.269 204 L C -1.225 175.626 176.870 -0.032 0.000 1.084 204 L CA -1.713 53.107 54.840 -0.033 0.000 0.802 204 L CB 1.326 43.358 42.059 -0.046 0.000 1.175 204 L HN 0.533 nan 8.230 nan 0.000 0.448 205 P HA 0.110 nan 4.420 nan 0.000 0.268 205 P C -1.219 176.087 177.300 0.009 0.000 1.205 205 P CA -0.052 63.063 63.100 0.025 0.000 0.771 205 P CB 0.725 32.474 31.700 0.082 0.000 0.858 206 K N 0.765 121.172 120.400 0.011 0.000 2.210 206 K HA 0.626 4.947 4.320 0.001 0.000 0.236 206 K C 0.525 177.208 176.600 0.138 0.000 1.016 206 K CA -0.907 55.384 56.287 0.007 0.000 0.913 206 K CB 1.179 33.550 32.500 -0.215 0.000 1.141 206 K HN 0.504 nan 8.250 nan 0.000 0.462 207 G N 0.430 109.334 108.800 0.173 0.000 2.335 207 G HA2 0.409 4.370 3.960 0.001 0.000 0.314 207 G HA3 0.409 4.370 3.960 0.001 0.000 0.314 207 G C -0.780 174.266 174.900 0.245 0.000 1.129 207 G CA -0.470 44.740 45.100 0.183 0.000 0.912 207 G HN 0.230 nan 8.290 nan 0.000 0.443 208 V N 2.581 122.615 119.914 0.200 0.000 2.348 208 V HA 0.510 4.630 4.120 0.001 0.000 0.270 208 V C 0.785 176.920 176.094 0.069 0.000 1.037 208 V CA -0.775 61.598 62.300 0.122 0.000 0.872 208 V CB 0.904 32.787 31.823 0.099 0.000 1.002 208 V HN 0.944 nan 8.190 nan 0.000 0.464 209 A N 7.305 130.145 122.820 0.033 0.000 2.354 209 A HA 0.694 5.014 4.320 0.001 0.000 0.281 209 A C -0.380 177.204 177.584 0.001 0.000 1.174 209 A CA -0.188 51.865 52.037 0.026 0.000 0.828 209 A CB -0.047 18.966 19.000 0.021 0.000 1.099 209 A HN 0.823 nan 8.150 nan 0.000 0.516 210 L N 5.140 126.375 121.223 0.020 0.000 2.316 210 L HA 0.346 4.686 4.340 0.001 0.000 0.280 210 L C -2.463 174.410 176.870 0.004 0.000 1.006 210 L CA -2.031 52.806 54.840 -0.005 0.000 0.836 210 L CB 2.032 44.099 42.059 0.014 0.000 1.221 210 L HN 0.434 nan 8.230 nan 0.000 0.418 211 P HA 0.030 nan 4.420 nan 0.000 0.270 211 P C 0.660 177.999 177.300 0.065 0.000 1.223 211 P CA -0.214 62.920 63.100 0.056 0.000 0.785 211 P CB 0.501 32.221 31.700 0.033 0.000 0.923 212 H N 1.299 120.410 119.070 0.070 0.000 2.426 212 H HA -0.192 4.365 4.556 0.001 0.000 0.298 212 H C 2.017 177.334 175.328 -0.019 0.000 1.107 212 H CA 1.493 57.597 56.048 0.092 0.000 1.298 212 H CB 0.193 30.092 29.762 0.227 0.000 1.377 212 H HN 0.430 nan 8.280 nan 0.000 0.519 213 R N 1.040 121.581 120.500 0.069 0.000 2.105 213 R HA -0.143 4.198 4.340 0.001 0.000 0.239 213 R C 2.507 178.701 176.300 -0.176 0.000 1.135 213 R CA 1.997 58.059 56.100 -0.063 0.000 0.967 213 R CB -0.229 30.029 30.300 -0.070 0.000 0.861 213 R HN 0.424 nan 8.270 nan 0.000 0.442 214 T N -1.891 112.560 114.554 -0.171 0.000 2.788 214 T HA -0.033 4.317 4.350 0.001 0.000 0.268 214 T C 1.979 176.459 174.700 -0.367 0.000 1.044 214 T CA 1.138 63.088 62.100 -0.251 0.000 1.139 214 T CB -0.286 68.438 68.868 -0.241 0.000 0.867 214 T HN 0.326 nan 8.240 nan 0.000 0.454 215 A N 0.711 123.322 122.820 -0.347 0.000 1.898 215 A HA 0.015 4.336 4.320 0.001 0.000 0.216 215 A C 2.813 179.762 177.584 -1.058 0.000 1.181 215 A CA 1.396 53.103 52.037 -0.550 0.000 0.620 215 A CB -1.418 17.391 19.000 -0.319 0.000 0.819 215 A HN 0.727 nan 8.150 nan 0.000 0.442 216 C N -1.087 117.824 119.300 -0.648 0.000 2.413 216 C HA -0.084 4.377 4.460 0.001 0.000 0.276 216 C C 2.706 177.453 174.990 -0.406 0.000 1.248 216 C CA 1.109 59.852 59.018 -0.458 0.000 1.742 216 C CB -1.326 26.313 27.740 -0.169 0.000 2.017 216 C HN 0.455 nan 8.230 nan 0.000 0.481 217 V N 1.236 120.874 119.914 -0.461 0.000 2.427 217 V HA -0.165 3.955 4.120 0.001 0.000 0.248 217 V C 2.679 178.457 176.094 -0.527 0.000 1.051 217 V CA 2.094 64.053 62.300 -0.569 0.000 1.048 217 V CB -0.717 30.756 31.823 -0.582 0.000 0.666 217 V HN 0.430 nan 8.190 nan 0.000 0.456 218 R N 0.501 120.735 120.500 -0.443 0.000 2.096 218 R HA -0.137 4.203 4.340 0.001 0.000 0.235 218 R C 1.883 178.198 176.300 0.024 0.000 1.127 218 R CA 1.811 57.774 56.100 -0.229 0.000 0.968 218 R CB -0.750 29.441 30.300 -0.181 0.000 0.861 218 R HN 0.396 nan 8.270 nan 0.000 0.440 219 F N 0.102 120.030 119.950 -0.036 0.000 2.269 219 F HA -0.012 4.515 4.527 0.001 0.000 0.301 219 F C 2.578 178.383 175.800 0.008 0.000 1.082 219 F CA 1.147 59.141 58.000 -0.010 0.000 1.360 219 F CB -1.266 37.727 39.000 -0.011 0.000 1.041 219 F HN 0.155 nan 8.300 nan 0.000 0.512 220 S N -0.862 114.947 115.700 0.182 0.000 2.357 220 S HA -0.161 4.309 4.470 0.001 0.000 0.221 220 S C 1.931 176.719 174.600 0.313 0.000 1.031 220 S CA 1.191 59.544 58.200 0.255 0.000 0.982 220 S CB -0.487 62.920 63.200 0.344 0.000 0.853 220 S HN 0.524 nan 8.310 nan 0.000 0.458 221 H N 0.613 119.836 119.070 0.255 0.000 2.353 221 H HA 0.013 4.569 4.556 0.001 0.000 0.300 221 H C 2.536 178.001 175.328 0.227 0.000 1.090 221 H CA 0.936 57.118 56.048 0.223 0.000 1.327 221 H CB -0.236 29.621 29.762 0.159 0.000 1.383 221 H HN 0.545 nan 8.280 nan 0.000 0.508 222 A N 1.684 124.700 122.820 0.326 0.000 1.917 222 A HA -0.221 4.099 4.320 0.001 0.000 0.219 222 A C 2.135 179.853 177.584 0.224 0.000 1.182 222 A CA 1.961 54.145 52.037 0.245 0.000 0.633 222 A CB -0.389 18.714 19.000 0.171 0.000 0.819 222 A HN 0.562 nan 8.150 nan 0.000 0.448 223 R N -0.654 119.959 120.500 0.188 0.000 2.393 223 R HA 0.166 4.506 4.340 0.001 0.000 0.244 223 R C -0.520 175.932 176.300 0.255 0.000 0.920 223 R CA -0.027 56.172 56.100 0.165 0.000 1.076 223 R CB -0.244 30.063 30.300 0.013 0.000 1.119 223 R HN 0.321 nan 8.270 nan 0.000 0.524 224 D N 2.482 123.062 120.400 0.299 0.000 2.348 224 D HA 0.092 4.732 4.640 0.001 0.000 0.253 224 D C -1.667 174.725 176.300 0.153 0.000 1.161 224 D CA -2.071 52.112 54.000 0.306 0.000 0.876 224 D CB 1.906 42.949 40.800 0.405 0.000 1.160 224 D HN -0.061 nan 8.370 nan 0.000 0.459 225 P HA -0.096 nan 4.420 nan 0.000 0.219 225 P C 1.213 178.489 177.300 -0.040 0.000 1.146 225 P CA 0.676 63.707 63.100 -0.115 0.000 0.808 225 P CB 0.431 31.923 31.700 -0.346 0.000 0.779 226 I N -3.175 117.408 120.570 0.023 0.000 2.810 226 I HA 0.050 4.221 4.170 0.001 0.000 0.262 226 I C 1.512 177.496 176.117 -0.222 0.000 1.131 226 I CA 1.112 62.361 61.300 -0.085 0.000 1.453 226 I CB -1.147 36.820 38.000 -0.055 0.000 1.161 226 I HN -0.109 nan 8.210 nan 0.000 0.444 227 F N 0.636 120.615 119.950 0.049 0.000 2.695 227 F HA 0.418 4.946 4.527 0.001 0.000 0.303 227 F C 1.427 177.275 175.800 0.080 0.000 1.091 227 F CA 0.081 58.102 58.000 0.036 0.000 1.300 227 F CB 0.221 39.212 39.000 -0.016 0.000 1.071 227 F HN 0.003 nan 8.300 nan 0.000 0.578 228 G N -0.376 108.574 108.800 0.250 0.000 3.354 228 G HA2 0.332 4.292 3.960 0.001 0.000 0.174 228 G HA3 0.332 4.292 3.960 0.001 0.000 0.174 228 G C -1.278 173.754 174.900 0.220 0.000 1.140 228 G CA -0.647 44.605 45.100 0.252 0.000 0.897 228 G HN 0.082 nan 8.290 nan 0.000 0.685 229 N N 0.279 119.136 118.700 0.262 0.000 2.258 229 N HA 0.431 5.171 4.740 0.001 0.000 0.299 229 N C -1.018 174.630 175.510 0.231 0.000 1.047 229 N CA -0.503 52.694 53.050 0.245 0.000 0.814 229 N CB 2.506 41.223 38.487 0.383 0.000 1.413 229 N HN 0.346 nan 8.380 nan 0.000 0.478 230 Q N 1.263 121.134 119.800 0.118 0.000 2.313 230 Q HA 0.225 4.565 4.340 0.001 0.000 0.266 230 Q C -0.178 175.950 176.000 0.214 0.000 0.989 230 Q CA 0.214 56.071 55.803 0.090 0.000 0.890 230 Q CB 1.222 29.953 28.738 -0.011 0.000 1.200 230 Q HN 0.476 nan 8.270 nan 0.000 0.396 231 I N 4.812 125.515 120.570 0.221 0.000 2.357 231 I HA 0.070 4.241 4.170 0.001 0.000 0.300 231 I C -0.127 176.109 176.117 0.198 0.000 1.159 231 I CA 0.307 61.775 61.300 0.280 0.000 1.339 231 I CB -0.310 37.763 38.000 0.121 0.000 1.458 231 I HN 0.390 nan 8.210 nan 0.000 0.577 232 I N 7.782 128.462 120.570 0.183 0.000 2.493 232 I HA 0.393 4.563 4.170 0.001 0.000 0.298 232 I C -2.215 173.935 176.117 0.054 0.000 0.998 232 I CA -2.221 59.115 61.300 0.060 0.000 1.137 232 I CB 1.901 39.883 38.000 -0.031 0.000 1.310 232 I HN 0.208 nan 8.210 nan 0.000 0.445 233 P HA 0.106 nan 4.420 nan 0.000 0.269 233 P C -0.767 176.515 177.300 -0.030 0.000 1.209 233 P CA 0.282 63.390 63.100 0.013 0.000 0.776 233 P CB 0.317 32.023 31.700 0.011 0.000 0.876 234 D N -0.914 119.465 120.400 -0.036 0.000 2.981 234 D HA -0.116 4.524 4.640 0.001 0.000 0.223 234 D C -0.593 175.624 176.300 -0.137 0.000 1.151 234 D CA 1.066 55.027 54.000 -0.065 0.000 0.827 234 D CB -2.108 38.663 40.800 -0.048 0.000 1.101 234 D HN 0.314 nan 8.370 nan 0.000 0.426 235 T N 0.577 115.000 114.554 -0.218 0.000 2.761 235 T HA 0.532 4.882 4.350 0.001 0.000 0.296 235 T C 0.478 174.907 174.700 -0.452 0.000 0.934 235 T CA 0.241 62.060 62.100 -0.469 0.000 1.091 235 T CB 1.446 69.703 68.868 -1.019 0.000 0.896 235 T HN 0.324 nan 8.240 nan 0.000 0.515 236 A N 4.545 127.138 122.820 -0.378 0.000 2.355 236 A HA 0.786 5.106 4.320 0.001 0.000 0.317 236 A C -0.671 176.693 177.584 -0.366 0.000 1.094 236 A CA -0.782 51.064 52.037 -0.319 0.000 0.764 236 A CB 0.795 19.680 19.000 -0.192 0.000 1.230 236 A HN 0.678 nan 8.150 nan 0.000 0.448 237 I N 2.027 122.360 120.570 -0.395 0.000 2.530 237 I HA 0.414 4.585 4.170 0.001 0.000 0.297 237 I C -0.917 175.046 176.117 -0.256 0.000 1.011 237 I CA -0.779 60.293 61.300 -0.379 0.000 1.107 237 I CB 1.565 39.191 38.000 -0.623 0.000 1.285 237 I HN 0.563 nan 8.210 nan 0.000 0.436 238 L N 4.760 125.867 121.223 -0.194 0.000 2.294 238 L HA 0.456 4.797 4.340 0.001 0.000 0.283 238 L C -0.150 176.698 176.870 -0.037 0.000 1.015 238 L CA 0.155 54.903 54.840 -0.153 0.000 0.831 238 L CB 1.266 43.167 42.059 -0.262 0.000 1.217 238 L HN 0.625 nan 8.230 nan 0.000 0.420 239 S N 3.554 119.267 115.700 0.022 0.000 2.438 239 S HA 0.436 4.906 4.470 0.001 0.000 0.316 239 S C 0.271 174.907 174.600 0.060 0.000 1.084 239 S CA -0.419 57.826 58.200 0.076 0.000 1.107 239 S CB 1.423 64.741 63.200 0.198 0.000 0.981 239 S HN 0.596 nan 8.310 nan 0.000 0.466 240 V N 5.895 125.847 119.914 0.063 0.000 3.605 240 V HA 0.272 4.393 4.120 0.001 0.000 0.284 240 V C 0.293 176.359 176.094 -0.047 0.000 1.386 240 V CA 0.530 62.863 62.300 0.055 0.000 1.053 240 V CB 0.517 32.455 31.823 0.191 0.000 0.857 240 V HN 0.802 nan 8.190 nan 0.000 0.436 241 V N 1.050 120.915 119.914 -0.080 0.000 2.686 241 V HA 0.474 4.594 4.120 0.001 0.000 0.295 241 V C -2.110 173.869 176.094 -0.191 0.000 1.055 241 V CA -2.039 60.198 62.300 -0.105 0.000 1.050 241 V CB 0.401 32.129 31.823 -0.159 0.000 0.984 241 V HN 0.302 nan 8.190 nan 0.000 0.482 242 P HA 0.074 nan 4.420 nan 0.000 0.263 242 P C 0.210 177.298 177.300 -0.353 0.000 1.195 242 P CA 0.139 62.972 63.100 -0.444 0.000 0.762 242 P CB 0.459 31.796 31.700 -0.604 0.000 0.799 243 F N 2.053 121.667 119.950 -0.559 0.000 2.293 243 F HA -0.116 4.412 4.527 0.001 0.000 0.300 243 F C 2.259 177.773 175.800 -0.476 0.000 1.086 243 F CA 1.361 58.986 58.000 -0.624 0.000 1.375 243 F CB -1.827 36.345 39.000 -1.379 0.000 1.045 243 F HN 0.533 nan 8.300 nan 0.000 0.516 244 H N -3.040 116.016 119.070 -0.022 0.000 2.556 244 H HA 0.066 4.622 4.556 0.001 0.000 0.268 244 H C 0.691 176.106 175.328 0.145 0.000 0.996 244 H CA 0.400 56.532 56.048 0.140 0.000 1.157 244 H CB -0.816 29.028 29.762 0.136 0.000 1.355 244 H HN 0.248 nan 8.280 nan 0.000 0.597 245 H N -0.130 118.881 119.070 -0.100 0.000 2.573 245 H HA 0.300 4.856 4.556 0.001 0.000 0.351 245 H C 1.100 176.503 175.328 0.125 0.000 1.163 245 H CA -0.128 55.958 56.048 0.063 0.000 1.205 245 H CB 1.984 31.745 29.762 -0.002 0.000 1.605 245 H HN 0.350 nan 8.280 nan 0.000 0.525 246 G N 2.931 111.518 108.800 -0.354 0.000 2.469 246 G HA2 -0.325 3.635 3.960 0.001 0.000 0.220 246 G HA3 -0.325 3.635 3.960 0.001 0.000 0.220 246 G C 1.190 176.244 174.900 0.255 0.000 1.136 246 G CA 0.482 45.610 45.100 0.046 0.000 0.759 246 G HN 0.580 nan 8.290 nan 0.000 0.562 247 F N 2.507 122.489 119.950 0.053 0.000 2.051 247 F HA 0.000 4.528 4.527 0.001 0.000 0.296 247 F C 2.588 178.483 175.800 0.157 0.000 1.122 247 F CA 1.407 59.507 58.000 0.167 0.000 1.201 247 F CB -0.927 38.225 39.000 0.253 0.000 0.978 247 F HN 0.128 nan 8.300 nan 0.000 0.472 248 G N -0.131 108.751 108.800 0.138 0.000 2.408 248 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 248 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 248 G C 1.585 176.535 174.900 0.083 0.000 1.150 248 G CA 0.968 46.118 45.100 0.084 0.000 0.776 248 G HN 0.392 nan 8.290 nan 0.000 0.542 249 M N 0.378 119.999 119.600 0.036 0.000 2.059 249 M HA 0.142 4.622 4.480 0.001 0.000 0.259 249 M C 1.994 178.115 176.300 -0.298 0.000 1.072 249 M CA 1.407 56.633 55.300 -0.123 0.000 1.117 249 M CB -0.716 31.646 32.600 -0.397 0.000 1.320 249 M HN 0.128 nan 8.290 nan 0.000 0.408 250 F N -0.119 119.875 119.950 0.073 0.000 2.558 250 F HA 0.004 4.531 4.527 0.001 0.000 0.298 250 F C 2.363 178.124 175.800 -0.066 0.000 1.119 250 F CA 1.421 59.443 58.000 0.036 0.000 1.451 250 F CB -1.462 37.560 39.000 0.036 0.000 1.091 250 F HN 0.370 nan 8.300 nan 0.000 0.563 251 T N -3.891 110.628 114.554 -0.058 0.000 2.809 251 T HA -0.113 4.238 4.350 0.001 0.000 0.260 251 T C 1.995 176.145 174.700 -0.916 0.000 1.039 251 T CA 1.608 63.442 62.100 -0.443 0.000 1.141 251 T CB -0.951 67.709 68.868 -0.346 0.000 0.869 251 T HN 0.129 nan 8.240 nan 0.000 0.437 252 T N 2.880 117.106 114.554 -0.546 0.000 2.674 252 T HA 0.065 4.415 4.350 0.001 0.000 0.265 252 T C 1.962 176.339 174.700 -0.538 0.000 1.039 252 T CA 1.303 63.069 62.100 -0.556 0.000 1.150 252 T CB -0.654 67.704 68.868 -0.850 0.000 0.864 252 T HN 0.250 nan 8.240 nan 0.000 0.427 253 L N 0.719 121.708 121.223 -0.391 0.000 2.079 253 L HA -0.078 4.262 4.340 0.001 0.000 0.210 253 L C 3.005 179.762 176.870 -0.188 0.000 1.081 253 L CA 1.450 56.185 54.840 -0.176 0.000 0.752 253 L CB -1.035 41.132 42.059 0.179 0.000 0.896 253 L HN 0.388 nan 8.230 nan 0.000 0.433 254 G N -1.184 107.547 108.800 -0.115 0.000 2.408 254 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 254 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 254 G C 1.276 176.045 174.900 -0.218 0.000 1.150 254 G CA 0.346 45.375 45.100 -0.118 0.000 0.776 254 G HN 0.222 nan 8.290 nan 0.000 0.542 255 Y N 0.781 120.953 120.300 -0.214 0.000 2.224 255 Y HA 0.051 4.602 4.550 0.001 0.000 0.289 255 Y C 2.755 178.404 175.900 -0.419 0.000 1.146 255 Y CA 0.086 58.007 58.100 -0.298 0.000 1.182 255 Y CB -0.751 37.612 38.460 -0.162 0.000 0.983 255 Y HN 0.092 nan 8.280 nan 0.000 0.524 256 L N -1.023 120.070 121.223 -0.216 0.000 2.083 256 L HA -0.220 4.120 4.340 0.001 0.000 0.209 256 L C 2.200 178.993 176.870 -0.129 0.000 1.083 256 L CA 0.775 55.529 54.840 -0.142 0.000 0.752 256 L CB -0.511 41.445 42.059 -0.172 0.000 0.899 256 L HN 0.175 nan 8.230 nan 0.000 0.433 257 I N -0.366 120.030 120.570 -0.290 0.000 2.315 257 I HA -0.271 3.900 4.170 0.001 0.000 0.248 257 I C 2.321 178.297 176.117 -0.236 0.000 1.117 257 I CA 1.310 62.430 61.300 -0.300 0.000 1.404 257 I CB -0.960 36.719 38.000 -0.535 0.000 1.071 257 I HN 0.400 nan 8.210 nan 0.000 0.419 258 C N 0.635 119.648 119.300 -0.479 0.000 2.562 258 C HA 0.262 4.722 4.460 0.001 0.000 0.266 258 C C 1.843 176.305 174.990 -0.881 0.000 1.382 258 C CA 0.473 59.029 59.018 -0.769 0.000 1.742 258 C CB -1.179 25.623 27.740 -1.563 0.000 1.812 258 C HN 0.758 nan 8.230 nan 0.000 0.559 259 G N 0.498 108.717 108.800 -0.968 0.000 2.160 259 G HA2 -0.247 3.714 3.960 0.001 0.000 0.251 259 G HA3 -0.247 3.714 3.960 0.001 0.000 0.251 259 G C -0.088 174.482 174.900 -0.550 0.000 1.008 259 G CA -0.204 43.946 45.100 -1.584 0.000 0.724 259 G HN 0.353 nan 8.290 nan 0.000 0.514 260 F N -0.227 119.540 119.950 -0.306 0.000 2.399 260 F HA 0.555 5.082 4.527 0.001 0.000 0.313 260 F C 1.243 176.900 175.800 -0.240 0.000 1.202 260 F CA -1.592 56.252 58.000 -0.260 0.000 1.192 260 F CB 0.593 39.403 39.000 -0.317 0.000 1.256 260 F HN 0.123 nan 8.300 nan 0.000 0.558 261 R N 1.073 121.534 120.500 -0.065 0.000 2.207 261 R HA 0.518 4.858 4.340 0.001 0.000 0.334 261 R C -1.793 174.331 176.300 -0.293 0.000 1.013 261 R CA -0.289 55.698 56.100 -0.189 0.000 0.858 261 R CB 0.593 30.804 30.300 -0.148 0.000 1.094 261 R HN 0.452 nan 8.270 nan 0.000 0.457 262 V N 6.353 126.025 119.914 -0.403 0.000 2.320 262 V HA 0.162 4.282 4.120 0.001 0.000 0.265 262 V C -0.014 175.991 176.094 -0.148 0.000 1.048 262 V CA -0.656 61.446 62.300 -0.329 0.000 0.865 262 V CB 1.238 32.776 31.823 -0.474 0.000 1.043 262 V HN 0.502 nan 8.190 nan 0.000 0.474 263 V N 7.208 127.009 119.914 -0.189 0.000 2.432 263 V HA 0.372 4.493 4.120 0.001 0.000 0.271 263 V C 0.041 176.099 176.094 -0.059 0.000 1.046 263 V CA -0.375 61.788 62.300 -0.227 0.000 0.945 263 V CB 0.966 32.504 31.823 -0.476 0.000 0.992 263 V HN 0.759 nan 8.190 nan 0.000 0.471 264 L N 3.582 124.831 121.223 0.043 0.000 2.322 264 L HA 0.898 5.239 4.340 0.001 0.000 0.269 264 L C -0.477 176.414 176.870 0.035 0.000 1.012 264 L CA -0.582 54.322 54.840 0.108 0.000 0.815 264 L CB 1.702 43.924 42.059 0.271 0.000 1.295 264 L HN 0.500 nan 8.230 nan 0.000 0.438 265 M N 1.415 121.034 119.600 0.032 0.000 2.326 265 M HA 0.335 4.816 4.480 0.001 0.000 0.292 265 M C -0.944 175.414 176.300 0.096 0.000 1.081 265 M CA -0.428 54.910 55.300 0.063 0.000 0.919 265 M CB 2.386 35.008 32.600 0.038 0.000 1.634 265 M HN 0.856 nan 8.290 nan 0.000 0.451 266 Y N -0.396 120.017 120.300 0.189 0.000 2.442 266 Y HA 0.507 5.057 4.550 0.001 0.000 0.250 266 Y C -0.031 175.849 175.900 -0.034 0.000 1.113 266 Y CA -0.577 57.490 58.100 -0.054 0.000 1.273 266 Y CB 0.422 38.793 38.460 -0.149 0.000 1.138 266 Y HN 0.397 nan 8.280 nan 0.000 0.522 267 R N 0.881 121.332 120.500 -0.080 0.000 2.514 267 R HA 0.271 4.612 4.340 0.001 0.000 0.296 267 R C -1.781 174.576 176.300 0.094 0.000 1.012 267 R CA -0.859 55.242 56.100 0.002 0.000 0.897 267 R CB 1.628 31.861 30.300 -0.112 0.000 1.184 267 R HN 0.139 nan 8.270 nan 0.000 0.440 268 F N 2.634 122.558 119.950 -0.042 0.000 2.471 268 F HA 0.182 4.710 4.527 0.001 0.000 0.353 268 F C -0.179 175.562 175.800 -0.099 0.000 1.113 268 F CA 0.470 58.417 58.000 -0.088 0.000 1.262 268 F CB 0.739 39.612 39.000 -0.211 0.000 1.146 268 F HN 0.437 nan 8.300 nan 0.000 0.578 269 E N 4.572 124.026 120.200 -1.243 0.000 2.343 269 E HA 0.030 4.380 4.350 0.001 0.000 0.286 269 E C 0.066 176.032 176.600 -1.057 0.000 0.915 269 E CA -0.523 55.341 56.400 -0.894 0.000 0.784 269 E CB 1.943 31.430 29.700 -0.354 0.000 1.251 269 E HN 0.800 nan 8.360 nan 0.000 0.407 270 E N 2.480 122.234 120.200 -0.743 0.000 2.033 270 E HA -0.265 4.085 4.350 0.001 0.000 0.199 270 E C 0.979 177.602 176.600 0.038 0.000 1.011 270 E CA 1.836 58.129 56.400 -0.179 0.000 0.815 270 E CB 0.267 30.091 29.700 0.206 0.000 0.755 270 E HN 0.526 nan 8.360 nan 0.000 0.451 271 E N 0.122 120.332 120.200 0.016 0.000 2.077 271 E HA -0.209 4.141 4.350 0.001 0.000 0.193 271 E C 2.182 178.769 176.600 -0.021 0.000 0.989 271 E CA 1.008 57.444 56.400 0.061 0.000 0.800 271 E CB -0.147 29.608 29.700 0.093 0.000 0.746 271 E HN 0.206 nan 8.360 nan 0.000 0.452 272 L N 0.429 121.607 121.223 -0.075 0.000 2.083 272 L HA -0.144 4.196 4.340 0.001 0.000 0.209 272 L C 2.011 178.820 176.870 -0.101 0.000 1.083 272 L CA 1.500 56.275 54.840 -0.108 0.000 0.752 272 L CB -0.464 41.494 42.059 -0.169 0.000 0.899 272 L HN 0.077 nan 8.230 nan 0.000 0.433 273 F N -0.384 119.446 119.950 -0.200 0.000 2.051 273 F HA -0.215 4.313 4.527 0.001 0.000 0.296 273 F C 2.093 177.821 175.800 -0.120 0.000 1.122 273 F CA 1.974 59.920 58.000 -0.090 0.000 1.201 273 F CB -0.309 38.755 39.000 0.106 0.000 0.978 273 F HN 0.022 nan 8.300 nan 0.000 0.472 274 L N 0.017 121.216 121.223 -0.040 0.000 2.046 274 L HA -0.202 4.138 4.340 0.001 0.000 0.208 274 L C 2.670 179.098 176.870 -0.736 0.000 1.077 274 L CA 1.622 56.186 54.840 -0.460 0.000 0.747 274 L CB -0.721 40.913 42.059 -0.708 0.000 0.896 274 L HN 0.115 nan 8.230 nan 0.000 0.432 275 R N -0.359 119.803 120.500 -0.563 0.000 2.115 275 R HA -0.122 4.218 4.340 0.001 0.000 0.230 275 R C 2.377 178.555 176.300 -0.203 0.000 1.111 275 R CA 1.438 57.410 56.100 -0.212 0.000 0.976 275 R CB 0.007 30.309 30.300 0.003 0.000 0.870 275 R HN 0.228 nan 8.270 nan 0.000 0.445 276 S N 0.737 116.302 115.700 -0.224 0.000 2.387 276 S HA -0.046 4.425 4.470 0.001 0.000 0.226 276 S C 1.807 176.332 174.600 -0.125 0.000 1.026 276 S CA 0.830 58.965 58.200 -0.108 0.000 0.972 276 S CB -0.083 63.090 63.200 -0.046 0.000 0.814 276 S HN 0.273 nan 8.310 nan 0.000 0.477 277 L N 1.372 122.409 121.223 -0.309 0.000 2.042 277 L HA -0.207 4.134 4.340 0.001 0.000 0.210 277 L C 2.833 179.619 176.870 -0.139 0.000 1.076 277 L CA 1.555 56.231 54.840 -0.273 0.000 0.749 277 L CB -0.545 41.310 42.059 -0.340 0.000 0.893 277 L HN 0.429 nan 8.230 nan 0.000 0.432 278 Q N 0.220 119.948 119.800 -0.120 0.000 1.965 278 Q HA -0.224 4.116 4.340 0.001 0.000 0.200 278 Q C 1.776 177.725 176.000 -0.085 0.000 0.981 278 Q CA 2.014 57.795 55.803 -0.037 0.000 0.834 278 Q CB 0.029 28.819 28.738 0.086 0.000 0.900 278 Q HN 0.378 nan 8.270 nan 0.000 0.426 279 D N -0.303 119.992 120.400 -0.175 0.000 2.123 279 D HA -0.163 4.478 4.640 0.001 0.000 0.196 279 D C 1.360 177.464 176.300 -0.328 0.000 0.992 279 D CA 1.234 55.053 54.000 -0.301 0.000 0.833 279 D CB -0.258 40.254 40.800 -0.479 0.000 0.954 279 D HN 0.405 nan 8.370 nan 0.000 0.455 280 Y N 0.426 120.670 120.300 -0.094 0.000 2.471 280 Y HA 0.153 4.704 4.550 0.001 0.000 0.286 280 Y C 0.365 176.198 175.900 -0.111 0.000 1.188 280 Y CA -0.182 57.857 58.100 -0.102 0.000 1.286 280 Y CB -0.369 38.015 38.460 -0.127 0.000 1.072 280 Y HN -0.169 nan 8.280 nan 0.000 0.517 281 K N 0.297 120.695 120.400 -0.004 0.000 3.156 281 K HA -0.197 4.123 4.320 0.001 0.000 0.266 281 K C -0.632 175.933 176.600 -0.058 0.000 0.966 281 K CA 0.083 56.350 56.287 -0.033 0.000 0.719 281 K CB -1.625 30.856 32.500 -0.032 0.000 1.333 281 K HN 0.205 nan 8.250 nan 0.000 0.468 282 I N 1.572 122.097 120.570 -0.074 0.000 2.683 282 I HA -0.106 4.065 4.170 0.001 0.000 0.286 282 I C 1.676 177.713 176.117 -0.134 0.000 1.175 282 I CA 0.718 61.940 61.300 -0.130 0.000 1.429 282 I CB 0.959 38.855 38.000 -0.172 0.000 1.371 282 I HN 0.311 nan 8.210 nan 0.000 0.569 283 Q N 3.173 122.871 119.800 -0.169 0.000 2.349 283 Q HA 0.130 4.470 4.340 0.001 0.000 0.209 283 Q C -0.185 175.750 176.000 -0.108 0.000 0.920 283 Q CA 0.672 56.393 55.803 -0.136 0.000 0.901 283 Q CB 0.475 29.093 28.738 -0.201 0.000 1.021 283 Q HN 0.681 nan 8.270 nan 0.000 0.519 284 S N -0.512 115.093 115.700 -0.159 0.000 2.547 284 S HA 0.820 5.290 4.470 0.001 0.000 0.281 284 S C -1.364 173.162 174.600 -0.123 0.000 1.118 284 S CA -0.838 57.297 58.200 -0.109 0.000 0.947 284 S CB 1.998 65.150 63.200 -0.079 0.000 1.053 284 S HN 0.196 nan 8.310 nan 0.000 0.482 285 A N 2.882 125.651 122.820 -0.084 0.000 2.355 285 A HA 0.847 5.168 4.320 0.001 0.000 0.317 285 A C -1.131 176.480 177.584 0.046 0.000 1.094 285 A CA -0.682 51.327 52.037 -0.047 0.000 0.764 285 A CB 0.691 19.648 19.000 -0.072 0.000 1.230 285 A HN 0.775 nan 8.150 nan 0.000 0.448 286 L N 2.820 124.091 121.223 0.080 0.000 2.313 286 L HA 0.612 4.953 4.340 0.001 0.000 0.283 286 L C -0.872 176.067 176.870 0.115 0.000 1.013 286 L CA -0.314 54.597 54.840 0.119 0.000 0.816 286 L CB 1.303 43.289 42.059 -0.121 0.000 1.236 286 L HN 0.593 nan 8.230 nan 0.000 0.419 287 L N 3.358 124.701 121.223 0.199 0.000 2.354 287 L HA 0.631 4.971 4.340 0.001 0.000 0.264 287 L C -0.003 177.057 176.870 0.317 0.000 1.008 287 L CA -1.196 53.686 54.840 0.070 0.000 0.819 287 L CB 2.444 44.284 42.059 -0.365 0.000 1.339 287 L HN 0.363 nan 8.230 nan 0.000 0.420 288 V N -0.727 119.290 119.914 0.172 0.000 3.003 288 V HA 0.281 4.402 4.120 0.001 0.000 0.305 288 V C -1.935 174.313 176.094 0.256 0.000 1.078 288 V CA -1.018 61.404 62.300 0.204 0.000 1.083 288 V CB 0.562 32.419 31.823 0.058 0.000 1.039 288 V HN 0.606 nan 8.190 nan 0.000 0.481 289 P HA -0.185 nan 4.420 nan 0.000 0.215 289 P C 1.756 179.176 177.300 0.200 0.000 1.163 289 P CA 2.714 65.944 63.100 0.217 0.000 0.894 289 P CB -0.250 31.496 31.700 0.076 0.000 0.791 290 T N -3.436 111.169 114.554 0.086 0.000 3.051 290 T HA -0.046 4.304 4.350 0.001 0.000 0.269 290 T C 1.649 176.347 174.700 -0.004 0.000 1.127 290 T CA 0.780 62.903 62.100 0.038 0.000 1.107 290 T CB -1.020 67.842 68.868 -0.010 0.000 0.898 290 T HN 0.062 nan 8.240 nan 0.000 0.517 291 L N -1.368 119.823 121.223 -0.052 0.000 2.446 291 L HA 0.270 4.611 4.340 0.001 0.000 0.219 291 L C 2.068 178.936 176.870 -0.004 0.000 1.116 291 L CA 0.407 55.109 54.840 -0.230 0.000 0.844 291 L CB -0.368 41.403 42.059 -0.480 0.000 0.970 291 L HN 0.174 nan 8.230 nan 0.000 0.457 292 F N 0.100 120.095 119.950 0.074 0.000 2.163 292 F HA -0.169 4.358 4.527 0.001 0.000 0.297 292 F C 2.715 178.593 175.800 0.131 0.000 1.094 292 F CA 1.485 59.574 58.000 0.148 0.000 1.290 292 F CB -0.278 38.777 39.000 0.092 0.000 1.017 292 F HN -0.041 nan 8.300 nan 0.000 0.483 293 S N 0.196 116.050 115.700 0.258 0.000 2.370 293 S HA -0.241 4.229 4.470 0.001 0.000 0.226 293 S C 1.863 176.508 174.600 0.074 0.000 1.033 293 S CA 1.410 59.694 58.200 0.140 0.000 1.011 293 S CB -0.878 62.378 63.200 0.094 0.000 0.852 293 S HN 0.419 nan 8.310 nan 0.000 0.457 294 F N 1.712 121.594 119.950 -0.113 0.000 2.069 294 F HA -0.134 4.393 4.527 0.001 0.000 0.298 294 F C 1.712 177.358 175.800 -0.258 0.000 1.113 294 F CA 1.386 59.233 58.000 -0.255 0.000 1.214 294 F CB -0.432 38.270 39.000 -0.497 0.000 0.978 294 F HN 0.106 nan 8.300 nan 0.000 0.474 295 F N 0.639 120.615 119.950 0.043 0.000 2.365 295 F HA -0.007 4.520 4.527 0.001 0.000 0.300 295 F C 2.472 178.222 175.800 -0.083 0.000 1.090 295 F CA 0.837 58.831 58.000 -0.011 0.000 1.408 295 F CB -1.276 37.863 39.000 0.232 0.000 1.060 295 F HN 0.099 nan 8.300 nan 0.000 0.534 296 A N -0.228 122.650 122.820 0.096 0.000 2.067 296 A HA -0.162 4.159 4.320 0.001 0.000 0.219 296 A C 2.106 179.653 177.584 -0.062 0.000 1.158 296 A CA 1.315 53.380 52.037 0.047 0.000 0.661 296 A CB -0.464 18.576 19.000 0.067 0.000 0.801 296 A HN 0.361 nan 8.150 nan 0.000 0.452 297 K N -0.138 120.152 120.400 -0.183 0.000 2.379 297 K HA 0.115 4.435 4.320 0.001 0.000 0.194 297 K C 0.739 177.174 176.600 -0.275 0.000 1.031 297 K CA 0.265 56.411 56.287 -0.236 0.000 1.037 297 K CB 0.210 32.523 32.500 -0.310 0.000 0.824 297 K HN 0.275 nan 8.250 nan 0.000 0.516 298 S N 1.449 116.963 115.700 -0.310 0.000 2.516 298 S HA -0.006 4.465 4.470 0.001 0.000 0.282 298 S C 0.963 175.508 174.600 -0.092 0.000 1.286 298 S CA -0.155 57.922 58.200 -0.204 0.000 1.066 298 S CB 0.526 63.719 63.200 -0.012 0.000 0.884 298 S HN 0.400 nan 8.310 nan 0.000 0.491 299 T N 3.175 117.696 114.554 -0.054 0.000 3.085 299 T HA 0.293 4.643 4.350 0.001 0.000 0.264 299 T C 1.100 175.812 174.700 0.020 0.000 1.019 299 T CA -0.177 61.908 62.100 -0.025 0.000 0.910 299 T CB -0.201 68.653 68.868 -0.023 0.000 1.059 299 T HN 0.552 nan 8.240 nan 0.000 0.542 300 L N 0.078 121.342 121.223 0.070 0.000 2.585 300 L HA 0.431 4.771 4.340 0.001 0.000 0.226 300 L C 2.070 179.072 176.870 0.220 0.000 1.113 300 L CA 0.036 54.966 54.840 0.151 0.000 0.876 300 L CB -0.271 41.928 42.059 0.234 0.000 1.072 300 L HN 0.223 nan 8.230 nan 0.000 0.468 301 I N 0.464 121.100 120.570 0.111 0.000 2.194 301 I HA -0.337 3.833 4.170 0.001 0.000 0.246 301 I C 1.677 177.888 176.117 0.157 0.000 1.093 301 I CA 1.397 62.736 61.300 0.064 0.000 1.355 301 I CB -0.258 37.551 38.000 -0.317 0.000 1.046 301 I HN 0.268 nan 8.210 nan 0.000 0.413 302 D N 0.780 121.244 120.400 0.107 0.000 2.351 302 D HA -0.126 4.514 4.640 0.001 0.000 0.216 302 D C 1.856 178.190 176.300 0.057 0.000 0.968 302 D CA 0.885 54.952 54.000 0.112 0.000 0.899 302 D CB -0.175 40.680 40.800 0.092 0.000 0.907 302 D HN 0.341 nan 8.370 nan 0.000 0.514 303 K N -0.624 119.794 120.400 0.029 0.000 2.459 303 K HA 0.005 4.326 4.320 0.001 0.000 0.193 303 K C -0.214 176.168 176.600 -0.363 0.000 1.030 303 K CA 0.281 56.456 56.287 -0.186 0.000 1.026 303 K CB 0.318 32.636 32.500 -0.302 0.000 0.809 303 K HN 0.183 nan 8.250 nan 0.000 0.504 304 Y N -0.062 120.253 120.300 0.025 0.000 2.468 304 Y HA 0.144 4.694 4.550 0.001 0.000 0.342 304 Y C -0.089 175.825 175.900 0.023 0.000 1.021 304 Y CA -1.932 56.180 58.100 0.020 0.000 1.079 304 Y CB 1.077 39.556 38.460 0.031 0.000 1.226 304 Y HN -0.151 nan 8.280 nan 0.000 0.460 305 D N 3.119 123.612 120.400 0.156 0.000 2.374 305 D HA 0.160 4.800 4.640 0.001 0.000 0.240 305 D C -0.419 175.941 176.300 0.100 0.000 1.229 305 D CA 0.277 54.332 54.000 0.092 0.000 0.895 305 D CB 0.261 41.087 40.800 0.042 0.000 1.046 305 D HN 0.594 nan 8.370 nan 0.000 0.498 306 L N 3.110 124.401 121.223 0.114 0.000 3.094 306 L HA 0.087 4.427 4.340 0.001 0.000 0.254 306 L C 1.943 178.859 176.870 0.076 0.000 1.298 306 L CA -0.281 54.617 54.840 0.097 0.000 1.050 306 L CB -0.018 42.136 42.059 0.159 0.000 1.420 306 L HN 0.277 nan 8.230 nan 0.000 0.548 307 S N -1.134 114.598 115.700 0.053 0.000 2.419 307 S HA -0.170 4.300 4.470 0.001 0.000 0.235 307 S C 1.507 176.125 174.600 0.030 0.000 1.019 307 S CA 1.137 59.362 58.200 0.040 0.000 0.982 307 S CB -0.217 62.997 63.200 0.023 0.000 0.789 307 S HN 0.554 nan 8.310 nan 0.000 0.490 308 N N 1.013 119.720 118.700 0.012 0.000 2.416 308 N HA 0.140 4.881 4.740 0.001 0.000 0.177 308 N C 0.307 175.818 175.510 0.002 0.000 1.036 308 N CA 0.066 53.111 53.050 -0.007 0.000 0.901 308 N CB -0.327 38.139 38.487 -0.036 0.000 0.976 308 N HN 0.362 nan 8.380 nan 0.000 0.444 309 L N 1.802 123.029 121.223 0.006 0.000 2.513 309 L HA -0.073 4.267 4.340 0.001 0.000 0.272 309 L C 1.195 178.094 176.870 0.049 0.000 1.187 309 L CA 0.838 55.673 54.840 -0.009 0.000 0.895 309 L CB 0.240 42.280 42.059 -0.033 0.000 1.147 309 L HN 0.166 nan 8.230 nan 0.000 0.483 310 H N 3.547 122.575 119.070 -0.070 0.000 3.067 310 H HA 0.265 4.822 4.556 0.001 0.000 0.241 310 H C -0.413 174.887 175.328 -0.046 0.000 0.961 310 H CA 0.151 56.171 56.048 -0.047 0.000 1.123 310 H CB 0.835 30.566 29.762 -0.053 0.000 1.448 310 H HN 0.749 nan 8.280 nan 0.000 0.457 311 E N 1.214 121.389 120.200 -0.042 0.000 2.248 311 E HA 0.453 4.803 4.350 0.001 0.000 0.267 311 E C -1.362 175.199 176.600 -0.064 0.000 0.877 311 E CA -0.682 55.684 56.400 -0.058 0.000 0.759 311 E CB 2.112 31.859 29.700 0.079 0.000 1.182 311 E HN 0.251 nan 8.360 nan 0.000 0.418 312 I N 3.193 123.737 120.570 -0.043 0.000 2.447 312 I HA 0.546 4.716 4.170 0.001 0.000 0.287 312 I C -0.514 175.723 176.117 0.199 0.000 1.023 312 I CA -0.659 60.628 61.300 -0.021 0.000 1.083 312 I CB 1.761 39.662 38.000 -0.166 0.000 1.245 312 I HN 0.554 nan 8.210 nan 0.000 0.434 313 A N 3.531 126.535 122.820 0.306 0.000 2.380 313 A HA 0.702 5.022 4.320 0.001 0.000 0.315 313 A C 0.317 178.267 177.584 0.611 0.000 1.101 313 A CA -0.398 51.889 52.037 0.418 0.000 0.771 313 A CB 1.605 20.836 19.000 0.385 0.000 1.287 313 A HN 0.729 nan 8.150 nan 0.000 0.436 314 S N 0.311 116.182 115.700 0.285 0.000 2.559 314 S HA 0.470 4.940 4.470 0.001 0.000 0.226 314 S C 1.270 175.484 174.600 -0.643 0.000 1.000 314 S CA 1.027 59.262 58.200 0.059 0.000 0.948 314 S CB -0.511 62.555 63.200 -0.223 0.000 0.870 314 S HN 2.666 nan 8.310 nan 0.000 0.497 315 G N 1.913 110.211 108.800 -0.836 0.000 2.591 315 G HA2 -0.264 3.697 3.960 0.001 0.000 0.298 315 G HA3 -0.264 3.697 3.960 0.001 0.000 0.298 315 G C 0.881 175.425 174.900 -0.593 0.000 1.195 315 G CA 0.104 44.472 45.100 -1.222 0.000 0.989 315 G HN 1.292 nan 8.290 nan 0.000 0.551 316 G N 0.856 109.333 108.800 -0.538 0.000 2.920 316 G HA2 0.555 4.515 3.960 0.001 0.000 0.208 316 G HA3 0.555 4.515 3.960 0.001 0.000 0.208 316 G C 0.652 175.378 174.900 -0.291 0.000 1.159 316 G CA 1.390 46.291 45.100 -0.331 0.000 0.784 316 G HN 1.800 nan 8.290 nan 0.000 0.535 317 A N 1.083 123.738 122.820 -0.274 0.000 2.252 317 A HA 0.698 5.019 4.320 0.001 0.000 0.309 317 A C -2.537 174.961 177.584 -0.143 0.000 1.285 317 A CA -1.374 50.562 52.037 -0.167 0.000 0.900 317 A CB 1.117 20.046 19.000 -0.117 0.000 1.157 317 A HN 0.081 nan 8.150 nan 0.000 0.536 318 P HA 0.433 nan 4.420 nan 0.000 0.275 318 P C -0.779 176.468 177.300 -0.089 0.000 1.228 318 P CA -0.011 63.069 63.100 -0.034 0.000 0.786 318 P CB 0.699 32.448 31.700 0.081 0.000 0.927 319 L N 0.836 121.982 121.223 -0.127 0.000 2.354 319 L HA 0.464 4.805 4.340 0.001 0.000 0.264 319 L C 0.464 177.286 176.870 -0.081 0.000 1.008 319 L CA -0.970 53.777 54.840 -0.156 0.000 0.819 319 L CB 2.010 43.871 42.059 -0.329 0.000 1.339 319 L HN 0.351 nan 8.230 nan 0.000 0.420 320 S N 0.158 115.829 115.700 -0.048 0.000 2.572 320 S HA 0.067 4.537 4.470 0.001 0.000 0.279 320 S C 0.869 175.462 174.600 -0.011 0.000 1.341 320 S CA -0.406 57.788 58.200 -0.009 0.000 1.043 320 S CB 1.190 64.395 63.200 0.008 0.000 0.887 320 S HN 0.782 nan 8.310 nan 0.000 0.516 321 K N 1.194 121.601 120.400 0.013 0.000 2.103 321 K HA -0.209 4.112 4.320 0.001 0.000 0.207 321 K C 1.524 178.134 176.600 0.018 0.000 1.048 321 K CA 1.932 58.229 56.287 0.017 0.000 0.930 321 K CB -0.237 32.287 32.500 0.040 0.000 0.716 321 K HN 0.729 nan 8.250 nan 0.000 0.444 322 E N 0.253 120.467 120.200 0.022 0.000 2.031 322 E HA -0.151 4.199 4.350 0.001 0.000 0.193 322 E C 1.978 178.600 176.600 0.036 0.000 0.994 322 E CA 1.428 57.844 56.400 0.027 0.000 0.800 322 E CB -0.281 29.434 29.700 0.026 0.000 0.752 322 E HN 0.075 nan 8.360 nan 0.000 0.447 323 V N 0.586 120.520 119.914 0.033 0.000 2.295 323 V HA -0.209 3.911 4.120 0.001 0.000 0.246 323 V C 2.235 178.377 176.094 0.081 0.000 1.049 323 V CA 2.027 64.364 62.300 0.062 0.000 1.024 323 V CB -1.217 30.637 31.823 0.052 0.000 0.648 323 V HN 0.436 nan 8.190 nan 0.000 0.447 324 G N -0.389 108.419 108.800 0.012 0.000 2.459 324 G HA2 -0.257 3.704 3.960 0.001 0.000 0.217 324 G HA3 -0.257 3.704 3.960 0.001 0.000 0.217 324 G C 1.460 176.404 174.900 0.072 0.000 1.183 324 G CA 0.992 46.099 45.100 0.012 0.000 0.776 324 G HN 0.578 nan 8.290 nan 0.000 0.552 325 E N 0.566 120.796 120.200 0.049 0.000 2.110 325 E HA -0.037 4.313 4.350 0.001 0.000 0.193 325 E C 2.936 179.577 176.600 0.069 0.000 0.988 325 E CA 0.693 57.124 56.400 0.053 0.000 0.804 325 E CB -0.189 29.534 29.700 0.037 0.000 0.745 325 E HN 0.419 nan 8.360 nan 0.000 0.458 326 A N 1.016 123.881 122.820 0.076 0.000 1.877 326 A HA -0.154 4.167 4.320 0.001 0.000 0.216 326 A C 2.526 180.176 177.584 0.111 0.000 1.186 326 A CA 1.291 53.373 52.037 0.075 0.000 0.620 326 A CB -0.700 18.343 19.000 0.071 0.000 0.822 326 A HN 0.114 nan 8.150 nan 0.000 0.443 327 V N -0.113 119.916 119.914 0.193 0.000 2.295 327 V HA -0.232 3.888 4.120 0.001 0.000 0.246 327 V C 3.071 179.340 176.094 0.292 0.000 1.049 327 V CA 1.932 64.416 62.300 0.306 0.000 1.024 327 V CB -1.339 30.756 31.823 0.454 0.000 0.648 327 V HN 0.616 nan 8.190 nan 0.000 0.447 328 A N -0.267 122.673 122.820 0.201 0.000 1.908 328 A HA -0.299 4.021 4.320 0.001 0.000 0.218 328 A C 2.351 179.990 177.584 0.093 0.000 1.181 328 A CA 2.356 54.480 52.037 0.144 0.000 0.627 328 A CB -0.522 18.531 19.000 0.088 0.000 0.818 328 A HN 0.532 nan 8.150 nan 0.000 0.445 329 K N -0.961 119.471 120.400 0.054 0.000 2.057 329 K HA -0.151 4.169 4.320 0.001 0.000 0.207 329 K C 2.275 178.785 176.600 -0.150 0.000 1.049 329 K CA 1.071 57.356 56.287 -0.003 0.000 0.931 329 K CB -0.122 32.387 32.500 0.014 0.000 0.714 329 K HN 0.239 nan 8.250 nan 0.000 0.440 330 R N -0.242 120.173 120.500 -0.141 0.000 2.096 330 R HA -0.109 4.232 4.340 0.001 0.000 0.235 330 R C 1.765 177.686 176.300 -0.632 0.000 1.127 330 R CA 1.263 57.157 56.100 -0.344 0.000 0.968 330 R CB -0.405 29.735 30.300 -0.267 0.000 0.861 330 R HN 0.245 nan 8.270 nan 0.000 0.440 331 F N 0.409 120.189 119.950 -0.284 0.000 2.692 331 F HA 0.147 4.675 4.527 0.001 0.000 0.303 331 F C 0.217 175.915 175.800 -0.169 0.000 1.114 331 F CA -0.108 57.757 58.000 -0.225 0.000 1.361 331 F CB -0.141 38.794 39.000 -0.108 0.000 1.063 331 F HN 0.091 nan 8.300 nan 0.000 0.550 332 H N 0.051 119.201 119.070 0.133 0.000 2.692 332 H HA -0.162 4.394 4.556 0.001 0.000 0.316 332 H C -0.284 175.092 175.328 0.080 0.000 1.176 332 H CA 0.385 56.483 56.048 0.084 0.000 1.142 332 H CB -1.989 27.810 29.762 0.061 0.000 1.475 332 H HN 0.281 nan 8.280 nan 0.000 0.423 333 L N 1.007 122.308 121.223 0.130 0.000 2.342 333 L HA 0.268 4.608 4.340 0.001 0.000 0.271 333 L C -0.738 176.157 176.870 0.041 0.000 1.008 333 L CA -1.939 52.939 54.840 0.064 0.000 0.818 333 L CB 1.865 43.936 42.059 0.020 0.000 1.296 333 L HN -0.108 nan 8.230 nan 0.000 0.427 334 P HA -0.022 nan 4.420 nan 0.000 0.222 334 P C 0.412 177.713 177.300 0.002 0.000 1.147 334 P CA 0.773 63.879 63.100 0.011 0.000 0.790 334 P CB 0.635 32.336 31.700 0.001 0.000 0.780 335 G N -0.312 108.481 108.800 -0.012 0.000 2.428 335 G HA2 0.507 4.467 3.960 0.001 0.000 0.304 335 G HA3 0.507 4.467 3.960 0.001 0.000 0.304 335 G C -1.787 173.106 174.900 -0.011 0.000 1.303 335 G CA -0.638 44.458 45.100 -0.007 0.000 0.825 335 G HN 0.199 nan 8.290 nan 0.000 0.484 336 I N -2.471 118.101 120.570 0.003 0.000 2.892 336 I HA 0.876 5.046 4.170 0.001 0.000 0.306 336 I C -0.308 175.812 176.117 0.005 0.000 1.078 336 I CA -1.406 59.913 61.300 0.032 0.000 1.032 336 I CB 2.482 40.557 38.000 0.125 0.000 1.229 336 I HN 0.599 nan 8.210 nan 0.000 0.435 337 R N 3.398 123.919 120.500 0.034 0.000 2.229 337 R HA 0.493 4.833 4.340 0.001 0.000 0.328 337 R C -0.798 175.507 176.300 0.008 0.000 1.009 337 R CA -0.269 55.843 56.100 0.020 0.000 0.864 337 R CB 0.961 31.291 30.300 0.051 0.000 1.085 337 R HN 0.933 nan 8.270 nan 0.000 0.453 338 Q N 2.586 122.357 119.800 -0.048 0.000 2.873 338 Q HA 0.846 5.186 4.340 0.001 0.000 0.297 338 Q C -0.782 175.171 176.000 -0.079 0.000 1.064 338 Q CA -1.259 54.485 55.803 -0.098 0.000 0.816 338 Q CB 2.191 30.836 28.738 -0.155 0.000 1.481 338 Q HN 0.670 nan 8.270 nan 0.000 0.488 339 G N -0.859 107.883 108.800 -0.096 0.000 2.451 339 G HA2 0.353 4.314 3.960 0.001 0.000 0.292 339 G HA3 0.353 4.314 3.960 0.001 0.000 0.292 339 G C -2.580 172.302 174.900 -0.031 0.000 1.427 339 G CA -0.718 44.347 45.100 -0.059 0.000 0.792 339 G HN 0.530 nan 8.290 nan 0.000 0.498 340 Y N 0.210 120.425 120.300 -0.142 0.000 2.350 340 Y HA 0.693 5.244 4.550 0.001 0.000 0.338 340 Y C 0.198 176.011 175.900 -0.145 0.000 0.961 340 Y CA 0.139 58.163 58.100 -0.128 0.000 1.100 340 Y CB 1.971 40.364 38.460 -0.112 0.000 1.179 340 Y HN 1.007 nan 8.280 nan 0.000 0.454 341 G N 5.500 113.920 108.800 -0.633 0.000 2.698 341 G HA2 0.589 4.550 3.960 0.001 0.000 0.293 341 G HA3 0.589 4.550 3.960 0.001 0.000 0.293 341 G C -2.340 172.273 174.900 -0.479 0.000 1.437 341 G CA -0.950 43.881 45.100 -0.449 0.000 0.852 341 G HN 0.720 nan 8.290 nan 0.000 0.499 342 L N -0.244 120.807 121.223 -0.287 0.000 2.309 342 L HA 0.456 4.796 4.340 0.001 0.000 0.261 342 L C 1.594 178.404 176.870 -0.101 0.000 1.021 342 L CA -0.969 53.770 54.840 -0.168 0.000 0.823 342 L CB 2.135 44.143 42.059 -0.085 0.000 1.366 342 L HN 0.613 nan 8.230 nan 0.000 0.423 343 T N -1.094 113.440 114.554 -0.034 0.000 2.833 343 T HA -0.133 4.217 4.350 0.001 0.000 0.269 343 T C 1.246 175.929 174.700 -0.028 0.000 1.054 343 T CA 1.478 63.569 62.100 -0.016 0.000 1.135 343 T CB -0.087 68.819 68.868 0.064 0.000 0.869 343 T HN 0.494 nan 8.240 nan 0.000 0.466 344 E N 0.995 121.182 120.200 -0.022 0.000 2.478 344 E HA -0.025 4.326 4.350 0.001 0.000 0.198 344 E C 1.904 178.463 176.600 -0.068 0.000 1.046 344 E CA 0.892 57.255 56.400 -0.060 0.000 0.870 344 E CB -0.154 29.516 29.700 -0.051 0.000 0.818 344 E HN 0.657 nan 8.360 nan 0.000 0.527 345 T N -4.796 109.706 114.554 -0.086 0.000 3.182 345 T HA 0.248 4.598 4.350 0.001 0.000 0.277 345 T C 0.903 175.484 174.700 -0.198 0.000 1.013 345 T CA 0.286 62.328 62.100 -0.096 0.000 0.900 345 T CB 0.269 69.066 68.868 -0.118 0.000 1.098 345 T HN -0.015 nan 8.240 nan 0.000 0.543 346 T N 1.232 115.636 114.554 -0.250 0.000 13.097 346 T HA -0.269 4.082 4.350 0.001 0.000 0.418 346 T C 0.604 175.052 174.700 -0.419 0.000 1.446 346 T CA 2.019 63.812 62.100 -0.510 0.000 2.371 346 T CB -1.914 66.540 68.868 -0.690 0.000 2.810 346 T HN 1.126 nan 8.240 nan 0.000 0.655 347 S N 0.315 115.833 115.700 -0.304 0.000 2.973 347 S HA 0.805 5.275 4.470 0.001 0.000 0.317 347 S C -0.411 174.074 174.600 -0.191 0.000 1.196 347 S CA -0.410 57.698 58.200 -0.155 0.000 0.894 347 S CB 1.525 64.701 63.200 -0.040 0.000 1.292 347 S HN 1.469 nan 8.310 nan 0.000 0.614 348 A N 0.966 123.695 122.820 -0.151 0.000 2.524 348 A HA 0.495 4.816 4.320 0.001 0.000 0.250 348 A C 1.059 178.480 177.584 -0.272 0.000 1.078 348 A CA -0.356 51.567 52.037 -0.189 0.000 0.761 348 A CB -0.944 17.975 19.000 -0.135 0.000 1.012 348 A HN 1.073 nan 8.150 nan 0.000 0.500 349 I N -0.046 120.335 120.570 -0.315 0.000 3.941 349 I HA 0.333 4.503 4.170 0.001 0.000 0.321 349 I C -0.347 175.592 176.117 -0.296 0.000 1.284 349 I CA 0.154 61.157 61.300 -0.495 0.000 1.226 349 I CB -0.140 37.457 38.000 -0.672 0.000 1.045 349 I HN 0.345 nan 8.210 nan 0.000 0.420 350 L N 3.060 124.187 121.223 -0.159 0.000 2.376 350 L HA 0.632 4.972 4.340 0.001 0.000 0.275 350 L C -0.843 176.009 176.870 -0.030 0.000 0.987 350 L CA -0.346 54.431 54.840 -0.105 0.000 0.828 350 L CB 2.507 44.480 42.059 -0.143 0.000 1.249 350 L HN 0.067 nan 8.230 nan 0.000 0.409 351 I N 1.161 121.757 120.570 0.043 0.000 2.769 351 I HA 0.267 4.437 4.170 0.001 0.000 0.298 351 I C -0.046 176.064 176.117 -0.011 0.000 1.128 351 I CA -0.596 60.726 61.300 0.036 0.000 1.031 351 I CB 2.842 40.910 38.000 0.112 0.000 1.235 351 I HN 0.440 nan 8.210 nan 0.000 0.423 352 T N 5.973 120.499 114.554 -0.046 0.000 2.751 352 T HA 0.177 4.527 4.350 0.001 0.000 0.290 352 T C -2.431 172.167 174.700 -0.169 0.000 0.919 352 T CA -0.739 61.318 62.100 -0.072 0.000 1.136 352 T CB -0.040 68.797 68.868 -0.051 0.000 0.875 352 T HN 0.208 nan 8.240 nan 0.000 0.532 353 P HA 0.212 nan 4.420 nan 0.000 0.275 353 P C -0.106 177.064 177.300 -0.218 0.000 1.227 353 P CA -0.556 62.273 63.100 -0.451 0.000 0.781 353 P CB 0.507 31.916 31.700 -0.484 0.000 0.906 354 E N 2.255 122.338 120.200 -0.195 0.000 2.417 354 E HA 0.267 4.617 4.350 0.001 0.000 0.261 354 E C 1.315 177.884 176.600 -0.051 0.000 1.000 354 E CA 1.333 57.693 56.400 -0.067 0.000 0.919 354 E CB -0.768 28.912 29.700 -0.034 0.000 0.955 354 E HN 0.699 nan 8.360 nan 0.000 0.455 355 G N 4.396 113.191 108.800 -0.009 0.000 2.189 355 G HA2 -0.291 3.669 3.960 0.001 0.000 0.267 355 G HA3 -0.291 3.669 3.960 0.001 0.000 0.267 355 G C 0.367 175.272 174.900 0.009 0.000 0.975 355 G CA 0.438 45.541 45.100 0.004 0.000 0.644 355 G HN 0.631 nan 8.290 nan 0.000 0.537 356 D N 0.503 120.905 120.400 0.004 0.000 2.957 356 D HA 0.331 4.971 4.640 0.001 0.000 0.352 356 D C -0.302 176.074 176.300 0.127 0.000 1.352 356 D CA -0.428 53.612 54.000 0.066 0.000 0.831 356 D CB 0.100 40.913 40.800 0.022 0.000 1.147 356 D HN 0.244 nan 8.370 nan 0.000 0.467 357 D N 0.901 121.326 120.400 0.041 0.000 2.304 357 D HA 0.289 4.929 4.640 0.001 0.000 0.247 357 D C -0.547 175.701 176.300 -0.086 0.000 1.089 357 D CA 0.026 54.019 54.000 -0.011 0.000 0.910 357 D CB 0.816 41.601 40.800 -0.025 0.000 1.199 357 D HN -0.058 nan 8.370 nan 0.000 0.426 358 K N 3.082 123.360 120.400 -0.204 0.000 2.553 358 K HA 0.385 4.706 4.320 0.001 0.000 0.250 358 K C -2.748 173.753 176.600 -0.165 0.000 0.953 358 K CA -1.947 54.167 56.287 -0.287 0.000 0.800 358 K CB 1.744 33.781 32.500 -0.772 0.000 1.243 358 K HN 0.183 nan 8.250 nan 0.000 0.435 359 P HA -0.002 nan 4.420 nan 0.000 0.258 359 P C 0.441 177.786 177.300 0.075 0.000 1.172 359 P CA 1.344 64.448 63.100 0.006 0.000 0.762 359 P CB 0.589 32.307 31.700 0.029 0.000 0.764 360 G N 2.375 111.203 108.800 0.047 0.000 2.234 360 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 360 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 360 G C 0.459 175.354 174.900 -0.009 0.000 0.987 360 G CA 0.008 45.179 45.100 0.119 0.000 0.625 360 G HN 0.866 nan 8.290 nan 0.000 0.532 361 A N -0.265 122.357 122.820 -0.330 0.000 2.388 361 A HA 0.733 5.053 4.320 0.001 0.000 0.257 361 A C 1.434 178.799 177.584 -0.365 0.000 1.095 361 A CA 0.648 52.182 52.037 -0.838 0.000 0.791 361 A CB 1.520 19.985 19.000 -0.892 0.000 1.029 361 A HN 1.220 nan 8.150 nan 0.000 0.489 362 V N 2.164 121.896 119.914 -0.303 0.000 2.951 362 V HA 0.416 4.537 4.120 0.001 0.000 0.255 362 V C 1.185 177.238 176.094 -0.068 0.000 1.088 362 V CA 2.339 64.566 62.300 -0.121 0.000 1.109 362 V CB -0.594 31.198 31.823 -0.052 0.000 0.724 362 V HN 1.817 nan 8.190 nan 0.000 0.471 363 G N -0.552 108.223 108.800 -0.041 0.000 2.302 363 G HA2 0.109 4.069 3.960 0.001 0.000 0.264 363 G HA3 0.109 4.069 3.960 0.001 0.000 0.264 363 G C -1.146 173.821 174.900 0.113 0.000 1.335 363 G CA -0.560 44.564 45.100 0.039 0.000 0.982 363 G HN 0.236 nan 8.290 nan 0.000 0.473 364 K N -0.769 119.696 120.400 0.109 0.000 2.443 364 K HA 0.650 4.970 4.320 0.001 0.000 0.251 364 K C -0.345 176.347 176.600 0.153 0.000 0.972 364 K CA -0.905 55.486 56.287 0.173 0.000 0.833 364 K CB 2.945 35.515 32.500 0.118 0.000 1.317 364 K HN 0.418 nan 8.250 nan 0.000 0.441 365 V N 2.678 122.643 119.914 0.085 0.000 2.557 365 V HA -0.036 4.085 4.120 0.001 0.000 0.301 365 V C 0.559 176.602 176.094 -0.086 0.000 1.026 365 V CA -0.293 61.985 62.300 -0.037 0.000 1.137 365 V CB 0.328 32.149 31.823 -0.003 0.000 0.917 365 V HN 0.551 nan 8.190 nan 0.000 0.484 366 V N 4.278 124.047 119.914 -0.242 0.000 2.881 366 V HA 0.406 4.526 4.120 0.001 0.000 0.303 366 V C -2.192 173.666 176.094 -0.393 0.000 1.070 366 V CA -2.222 59.704 62.300 -0.624 0.000 1.074 366 V CB 0.228 31.617 31.823 -0.723 0.000 1.012 366 V HN 0.700 nan 8.190 nan 0.000 0.482 367 P HA 0.184 nan 4.420 nan 0.000 0.266 367 P C -0.204 177.148 177.300 0.086 0.000 1.193 367 P CA 0.635 63.551 63.100 -0.305 0.000 0.770 367 P CB -0.110 31.357 31.700 -0.388 0.000 0.836 368 F N -2.402 117.588 119.950 0.067 0.000 2.502 368 F HA -0.228 4.299 4.527 0.001 0.000 0.480 368 F C 0.418 176.204 175.800 -0.024 0.000 0.543 368 F CA 0.898 58.922 58.000 0.041 0.000 1.350 368 F CB -2.144 36.909 39.000 0.088 0.000 1.999 368 F HN 0.183 nan 8.300 nan 0.000 0.267 369 F N 0.588 120.560 119.950 0.036 0.000 2.541 369 F HA 0.612 5.140 4.527 0.001 0.000 0.331 369 F C 0.202 175.954 175.800 -0.079 0.000 1.057 369 F CA -0.801 57.173 58.000 -0.043 0.000 0.975 369 F CB 1.529 40.499 39.000 -0.049 0.000 1.246 369 F HN 0.027 nan 8.300 nan 0.000 0.484 370 E N 1.105 121.341 120.200 0.060 0.000 2.343 370 E HA 0.818 5.169 4.350 0.001 0.000 0.278 370 E C -1.990 174.741 176.600 0.218 0.000 0.910 370 E CA -1.263 55.185 56.400 0.079 0.000 0.757 370 E CB 2.218 31.927 29.700 0.015 0.000 1.218 370 E HN 0.662 nan 8.360 nan 0.000 0.435 371 A N 2.196 125.190 122.820 0.291 0.000 2.515 371 A HA 0.825 5.145 4.320 0.001 0.000 0.296 371 A C -1.251 176.550 177.584 0.363 0.000 1.094 371 A CA -0.784 51.474 52.037 0.370 0.000 0.718 371 A CB 1.775 20.773 19.000 -0.003 0.000 1.307 371 A HN 0.778 nan 8.150 nan 0.000 0.408 372 K N -0.984 119.600 120.400 0.307 0.000 2.578 372 K HA 0.737 5.058 4.320 0.001 0.000 0.287 372 K C -1.282 175.491 176.600 0.288 0.000 1.010 372 K CA -0.796 55.628 56.287 0.228 0.000 0.889 372 K CB 1.724 34.163 32.500 -0.101 0.000 1.514 372 K HN 1.241 nan 8.250 nan 0.000 0.424 373 V N -0.850 119.282 119.914 0.363 0.000 2.448 373 V HA 0.752 4.872 4.120 0.001 0.000 0.295 373 V C -0.095 176.080 176.094 0.135 0.000 1.025 373 V CA -0.664 61.793 62.300 0.262 0.000 0.859 373 V CB 0.943 32.934 31.823 0.280 0.000 0.988 373 V HN 0.706 nan 8.190 nan 0.000 0.431 374 V N 0.738 120.700 119.914 0.080 0.000 2.881 374 V HA 0.595 4.715 4.120 0.001 0.000 0.316 374 V C 0.029 176.141 176.094 0.030 0.000 1.070 374 V CA -0.592 61.728 62.300 0.033 0.000 0.976 374 V CB 1.855 33.684 31.823 0.011 0.000 1.038 374 V HN 1.010 nan 8.190 nan 0.000 0.446 375 D N 1.727 122.133 120.400 0.010 0.000 2.417 375 D HA 0.124 4.764 4.640 0.001 0.000 0.250 375 D C 1.102 177.402 176.300 -0.001 0.000 1.166 375 D CA 0.067 54.069 54.000 0.002 0.000 0.881 375 D CB 1.378 42.175 40.800 -0.006 0.000 1.164 375 D HN 0.682 nan 8.370 nan 0.000 0.467 376 L N 3.177 124.400 121.223 0.001 0.000 2.353 376 L HA -0.153 4.187 4.340 0.001 0.000 0.220 376 L C 1.568 178.429 176.870 -0.014 0.000 1.133 376 L CA 0.781 55.619 54.840 -0.004 0.000 0.798 376 L CB -0.150 41.911 42.059 0.004 0.000 0.922 376 L HN 0.438 nan 8.230 nan 0.000 0.445 377 D N -1.443 118.949 120.400 -0.013 0.000 3.012 377 D HA -0.052 4.588 4.640 0.001 0.000 0.284 377 D C 2.107 178.398 176.300 -0.015 0.000 1.259 377 D CA 1.691 55.682 54.000 -0.014 0.000 1.036 377 D CB -0.250 40.544 40.800 -0.010 0.000 1.167 377 D HN 0.227 nan 8.370 nan 0.000 0.429 378 T N -1.603 112.944 114.554 -0.012 0.000 3.035 378 T HA 0.159 4.510 4.350 0.001 0.000 0.268 378 T C 1.765 176.457 174.700 -0.012 0.000 1.109 378 T CA 1.279 63.373 62.100 -0.010 0.000 1.119 378 T CB -0.053 68.810 68.868 -0.007 0.000 0.900 378 T HN 0.322 nan 8.240 nan 0.000 0.503 379 G N 0.920 109.710 108.800 -0.016 0.000 2.168 379 G HA2 -0.141 3.820 3.960 0.001 0.000 0.263 379 G HA3 -0.141 3.820 3.960 0.001 0.000 0.263 379 G C 0.259 175.149 174.900 -0.017 0.000 0.977 379 G CA 0.649 45.738 45.100 -0.018 0.000 0.659 379 G HN 1.117 nan 8.290 nan 0.000 0.533 380 K N 0.527 120.919 120.400 -0.014 0.000 2.270 380 K HA 0.683 5.003 4.320 0.001 0.000 0.276 380 K C 0.685 177.276 176.600 -0.015 0.000 1.023 380 K CA 0.501 56.779 56.287 -0.015 0.000 0.955 380 K CB 0.230 32.726 32.500 -0.006 0.000 0.975 380 K HN 0.646 nan 8.250 nan 0.000 0.471 381 T N 3.586 118.125 114.554 -0.024 0.000 2.793 381 T HA 0.193 4.543 4.350 0.001 0.000 0.289 381 T C 0.684 175.415 174.700 0.050 0.000 0.956 381 T CA 0.045 62.144 62.100 -0.001 0.000 1.177 381 T CB -0.575 68.284 68.868 -0.014 0.000 0.897 381 T HN 0.422 nan 8.240 nan 0.000 0.533 382 L N 2.198 123.465 121.223 0.073 0.000 2.490 382 L HA 0.593 4.933 4.340 0.001 0.000 0.245 382 L C 1.420 178.349 176.870 0.098 0.000 1.185 382 L CA -0.652 54.216 54.840 0.047 0.000 0.813 382 L CB 0.197 42.256 42.059 -0.001 0.000 1.233 382 L HN 0.706 nan 8.230 nan 0.000 0.489 383 G N -0.698 108.083 108.800 -0.031 0.000 2.857 383 G HA2 0.492 4.452 3.960 0.001 0.000 0.217 383 G HA3 0.492 4.452 3.960 0.001 0.000 0.217 383 G C -0.531 173.995 174.900 -0.623 0.000 1.357 383 G CA -0.615 44.440 45.100 -0.076 0.000 1.033 383 G HN 0.313 nan 8.290 nan 0.000 0.571 384 V N 1.470 120.997 119.914 -0.644 0.000 2.788 384 V HA 0.035 4.156 4.120 0.001 0.000 0.307 384 V C 0.942 176.657 176.094 -0.631 0.000 1.069 384 V CA 0.078 61.831 62.300 -0.912 0.000 1.173 384 V CB 0.656 32.300 31.823 -0.299 0.000 0.925 384 V HN 0.818 nan 8.190 nan 0.000 0.492 385 N N 1.555 119.895 118.700 -0.601 0.000 2.650 385 N HA -0.225 4.515 4.740 0.001 0.000 0.249 385 N C 0.171 175.397 175.510 -0.473 0.000 1.155 385 N CA 1.227 54.026 53.050 -0.417 0.000 0.747 385 N CB -0.539 37.751 38.487 -0.329 0.000 1.132 385 N HN 0.912 nan 8.380 nan 0.000 0.564 386 Q N 0.464 120.001 119.800 -0.439 0.000 2.290 386 Q HA 0.333 4.673 4.340 0.001 0.000 0.259 386 Q C 0.018 175.897 176.000 -0.201 0.000 0.941 386 Q CA -0.605 55.016 55.803 -0.303 0.000 0.912 386 Q CB 1.457 30.053 28.738 -0.238 0.000 1.244 386 Q HN 0.058 nan 8.270 nan 0.000 0.441 387 R N 1.498 121.906 120.500 -0.154 0.000 2.389 387 R HA 0.602 4.942 4.340 0.001 0.000 0.295 387 R C 0.037 176.341 176.300 0.006 0.000 1.075 387 R CA -0.151 55.935 56.100 -0.023 0.000 1.005 387 R CB 0.731 31.011 30.300 -0.033 0.000 0.987 387 R HN 0.797 nan 8.270 nan 0.000 0.452 388 G N 0.953 109.792 108.800 0.064 0.000 2.606 388 G HA2 0.125 4.085 3.960 0.001 0.000 0.300 388 G HA3 0.125 4.085 3.960 0.001 0.000 0.300 388 G C -1.534 173.426 174.900 0.100 0.000 1.360 388 G CA -0.769 44.370 45.100 0.064 0.000 0.783 388 G HN 0.522 nan 8.290 nan 0.000 0.484 389 E N -0.228 120.028 120.200 0.094 0.000 2.344 389 E HA 0.284 4.634 4.350 0.001 0.000 0.270 389 E C -0.467 176.222 176.600 0.149 0.000 1.021 389 E CA -0.598 55.872 56.400 0.117 0.000 0.887 389 E CB 0.888 30.656 29.700 0.114 0.000 0.997 389 E HN 0.355 nan 8.360 nan 0.000 0.429 390 L N 5.788 127.095 121.223 0.141 0.000 2.360 390 L HA 0.182 4.522 4.340 0.001 0.000 0.276 390 L C -1.239 175.731 176.870 0.166 0.000 1.121 390 L CA 0.071 54.998 54.840 0.144 0.000 0.845 390 L CB 0.329 42.395 42.059 0.012 0.000 1.143 390 L HN 0.615 nan 8.230 nan 0.000 0.452 391 C N 4.749 124.161 119.300 0.187 0.000 2.563 391 C HA 0.832 5.292 4.460 0.001 0.000 0.314 391 C C -0.270 174.976 174.990 0.427 0.000 1.199 391 C CA -0.812 58.348 59.018 0.236 0.000 1.564 391 C CB 1.494 29.283 27.740 0.081 0.000 2.173 391 C HN 0.770 nan 8.230 nan 0.000 0.485 392 V N 1.226 121.413 119.914 0.455 0.000 2.962 392 V HA 0.821 4.942 4.120 0.001 0.000 0.313 392 V C -0.839 175.332 176.094 0.127 0.000 1.099 392 V CA -0.785 61.752 62.300 0.394 0.000 0.971 392 V CB 1.932 33.935 31.823 0.300 0.000 1.028 392 V HN 0.967 nan 8.190 nan 0.000 0.430 393 R N 1.000 121.350 120.500 -0.250 0.000 2.564 393 R HA 0.784 5.124 4.340 0.001 0.000 0.284 393 R C -0.411 175.317 176.300 -0.952 0.000 1.031 393 R CA 0.310 55.980 56.100 -0.717 0.000 0.904 393 R CB 2.031 31.434 30.300 -1.495 0.000 1.199 393 R HN 1.633 nan 8.270 nan 0.000 0.443 394 G N 2.773 110.866 108.800 -1.178 0.000 2.368 394 G HA2 0.190 4.151 3.960 0.001 0.000 0.293 394 G HA3 0.190 4.151 3.960 0.001 0.000 0.293 394 G C -2.661 171.666 174.900 -0.955 0.000 1.467 394 G CA -0.843 43.203 45.100 -1.756 0.000 0.804 394 G HN 0.382 nan 8.290 nan 0.000 0.535 395 P HA 0.009 nan 4.420 nan 0.000 0.239 395 P C 1.099 178.319 177.300 -0.134 0.000 1.184 395 P CA 0.716 63.640 63.100 -0.293 0.000 0.760 395 P CB 0.212 31.735 31.700 -0.295 0.000 0.884 396 M N -1.191 118.468 119.600 0.100 0.000 2.371 396 M HA 0.130 4.610 4.480 0.001 0.000 0.246 396 M C 0.422 176.781 176.300 0.098 0.000 1.103 396 M CA -0.247 55.141 55.300 0.147 0.000 1.010 396 M CB 0.365 33.102 32.600 0.228 0.000 1.457 396 M HN -0.229 nan 8.290 nan 0.000 0.486 397 I N 2.263 122.896 120.570 0.105 0.000 2.692 397 I HA 0.018 4.189 4.170 0.001 0.000 0.284 397 I C 0.772 176.850 176.117 -0.064 0.000 1.159 397 I CA 0.009 61.320 61.300 0.019 0.000 1.423 397 I CB 0.119 38.099 38.000 -0.033 0.000 1.380 397 I HN 0.361 nan 8.210 nan 0.000 0.580 398 M N 4.139 123.685 119.600 -0.090 0.000 2.228 398 M HA 0.086 4.566 4.480 0.001 0.000 0.303 398 M C 1.170 177.406 176.300 -0.106 0.000 1.099 398 M CA 0.195 55.429 55.300 -0.111 0.000 1.171 398 M CB -0.024 32.481 32.600 -0.159 0.000 1.412 398 M HN 0.591 nan 8.290 nan 0.000 0.447 399 S N -0.457 115.192 115.700 -0.085 0.000 2.496 399 S HA 0.492 4.963 4.470 0.001 0.000 0.224 399 S C 0.818 175.373 174.600 -0.075 0.000 0.996 399 S CA 0.054 58.215 58.200 -0.066 0.000 0.927 399 S CB -0.585 62.593 63.200 -0.037 0.000 0.774 399 S HN 1.455 nan 8.310 nan 0.000 0.524 400 G N -0.380 108.348 108.800 -0.119 0.000 2.347 400 G HA2 0.263 4.224 3.960 0.001 0.000 0.321 400 G HA3 0.263 4.224 3.960 0.001 0.000 0.321 400 G C -1.609 173.219 174.900 -0.119 0.000 1.412 400 G CA -1.174 43.838 45.100 -0.148 0.000 0.990 400 G HN 0.132 nan 8.290 nan 0.000 0.637 401 Y N -0.014 120.307 120.300 0.033 0.000 2.377 401 Y HA 0.394 4.945 4.550 0.001 0.000 0.330 401 Y C 1.433 177.351 175.900 0.030 0.000 1.108 401 Y CA -0.370 57.751 58.100 0.036 0.000 1.308 401 Y CB 1.234 39.718 38.460 0.040 0.000 1.216 401 Y HN 0.367 nan 8.280 nan 0.000 0.518 402 V N 4.906 124.936 119.914 0.194 0.000 2.509 402 V HA -0.160 3.960 4.120 0.001 0.000 0.297 402 V C 0.432 176.585 176.094 0.098 0.000 1.014 402 V CA 0.355 62.723 62.300 0.113 0.000 1.127 402 V CB -0.910 30.967 31.823 0.090 0.000 0.925 402 V HN 1.006 nan 8.190 nan 0.000 0.480 403 N N 2.767 121.511 118.700 0.073 0.000 2.708 403 N HA -0.208 4.532 4.740 0.001 0.000 0.249 403 N C 0.093 175.640 175.510 0.061 0.000 1.097 403 N CA 0.984 54.067 53.050 0.054 0.000 0.710 403 N CB -0.767 37.742 38.487 0.036 0.000 1.032 403 N HN 0.786 nan 8.380 nan 0.000 0.551 404 N N -0.945 117.812 118.700 0.094 0.000 2.666 404 N HA 0.179 4.919 4.740 0.001 0.000 0.253 404 N C -2.166 173.426 175.510 0.137 0.000 1.621 404 N CA -1.552 51.555 53.050 0.095 0.000 0.785 404 N CB 0.868 39.397 38.487 0.069 0.000 1.332 404 N HN -0.066 nan 8.380 nan 0.000 0.514 405 P HA -0.086 nan 4.420 nan 0.000 0.220 405 P C 1.144 178.506 177.300 0.102 0.000 1.148 405 P CA 1.330 64.487 63.100 0.096 0.000 0.803 405 P CB 0.365 32.102 31.700 0.062 0.000 0.782 406 E N 0.934 121.187 120.200 0.088 0.000 2.051 406 E HA -0.128 4.222 4.350 0.001 0.000 0.192 406 E C 2.262 178.927 176.600 0.110 0.000 0.991 406 E CA 1.653 58.100 56.400 0.079 0.000 0.799 406 E CB -1.497 28.235 29.700 0.053 0.000 0.748 406 E HN 0.339 nan 8.360 nan 0.000 0.449 407 A N 0.458 123.357 122.820 0.132 0.000 1.930 407 A HA -0.061 4.259 4.320 0.001 0.000 0.217 407 A C 2.655 180.455 177.584 0.360 0.000 1.175 407 A CA 2.298 54.443 52.037 0.180 0.000 0.627 407 A CB -0.807 18.202 19.000 0.016 0.000 0.815 407 A HN 0.451 nan 8.150 nan 0.000 0.443 408 T N 1.123 115.896 114.554 0.366 0.000 2.674 408 T HA -0.152 4.199 4.350 0.001 0.000 0.265 408 T C 1.798 176.583 174.700 0.142 0.000 1.039 408 T CA 1.564 63.789 62.100 0.209 0.000 1.150 408 T CB -0.448 68.481 68.868 0.101 0.000 0.864 408 T HN 0.517 nan 8.240 nan 0.000 0.427 409 N N 1.681 120.457 118.700 0.126 0.000 2.223 409 N HA -0.009 4.731 4.740 0.001 0.000 0.185 409 N C 1.947 177.536 175.510 0.132 0.000 1.016 409 N CA 1.152 54.267 53.050 0.109 0.000 0.863 409 N CB -0.494 38.045 38.487 0.087 0.000 0.983 409 N HN 0.444 nan 8.380 nan 0.000 0.429 410 A N -0.011 122.894 122.820 0.142 0.000 2.119 410 A HA 0.008 4.328 4.320 0.001 0.000 0.217 410 A C 2.090 179.785 177.584 0.185 0.000 1.153 410 A CA 0.678 52.798 52.037 0.140 0.000 0.692 410 A CB -0.153 18.919 19.000 0.119 0.000 0.799 410 A HN 0.215 nan 8.150 nan 0.000 0.458 411 L N -1.328 120.020 121.223 0.209 0.000 2.467 411 L HA 0.467 4.807 4.340 0.001 0.000 0.213 411 L C 0.244 177.241 176.870 0.212 0.000 1.053 411 L CA 0.815 55.793 54.840 0.230 0.000 0.847 411 L CB 0.258 42.449 42.059 0.220 0.000 1.075 411 L HN 0.231 nan 8.230 nan 0.000 0.479 412 I N 1.190 121.846 120.570 0.144 0.000 2.362 412 I HA 0.250 4.420 4.170 0.001 0.000 0.289 412 I C -0.722 175.468 176.117 0.123 0.000 0.994 412 I CA -1.009 60.343 61.300 0.087 0.000 1.158 412 I CB 1.197 39.208 38.000 0.018 0.000 1.315 412 I HN 0.175 nan 8.210 nan 0.000 0.451 413 D N 4.986 125.471 120.400 0.141 0.000 2.411 413 D HA 0.281 4.921 4.640 0.001 0.000 0.251 413 D C 1.236 177.610 176.300 0.124 0.000 1.201 413 D CA -0.432 53.678 54.000 0.183 0.000 0.996 413 D CB 0.763 41.743 40.800 0.299 0.000 1.101 413 D HN 0.422 nan 8.370 nan 0.000 0.504 414 K N 0.080 120.552 120.400 0.120 0.000 2.160 414 K HA -0.157 4.163 4.320 0.001 0.000 0.206 414 K C 1.248 177.894 176.600 0.078 0.000 1.047 414 K CA 2.056 58.393 56.287 0.084 0.000 0.930 414 K CB -1.080 31.468 32.500 0.080 0.000 0.720 414 K HN 0.628 nan 8.250 nan 0.000 0.450 415 D N -1.193 119.288 120.400 0.135 0.000 2.319 415 D HA 0.199 4.839 4.640 0.001 0.000 0.230 415 D C 1.176 177.469 176.300 -0.011 0.000 1.094 415 D CA 0.800 54.880 54.000 0.132 0.000 0.856 415 D CB 0.118 41.106 40.800 0.313 0.000 0.915 415 D HN 0.628 nan 8.370 nan 0.000 0.517 416 G N 0.488 109.266 108.800 -0.036 0.000 2.179 416 G HA2 -0.272 3.689 3.960 0.001 0.000 0.260 416 G HA3 -0.272 3.689 3.960 0.001 0.000 0.260 416 G C -0.142 174.616 174.900 -0.238 0.000 0.977 416 G CA -0.296 44.702 45.100 -0.170 0.000 0.641 416 G HN 0.230 nan 8.290 nan 0.000 0.533 417 W N 0.226 121.457 121.300 -0.115 0.000 2.287 417 W HA 0.652 5.312 4.660 0.001 0.000 0.313 417 W C 0.697 177.054 176.519 -0.269 0.000 1.267 417 W CA -0.692 56.544 57.345 -0.181 0.000 1.201 417 W CB 0.771 30.102 29.460 -0.216 0.000 1.196 417 W HN 0.266 nan 8.180 nan 0.000 0.536 418 L N 5.118 126.364 121.223 0.037 0.000 2.275 418 L HA 0.371 4.712 4.340 0.001 0.000 0.288 418 L C -0.206 176.659 176.870 -0.009 0.000 1.046 418 L CA -0.550 54.294 54.840 0.007 0.000 0.805 418 L CB 0.394 42.491 42.059 0.063 0.000 1.193 418 L HN 0.347 nan 8.230 nan 0.000 0.426 419 H N 4.131 123.312 119.070 0.185 0.000 2.761 419 H HA 0.116 4.673 4.556 0.001 0.000 0.284 419 H C 1.056 176.480 175.328 0.160 0.000 1.105 419 H CA 0.350 56.495 56.048 0.162 0.000 1.352 419 H CB 1.492 31.330 29.762 0.127 0.000 1.423 419 H HN 0.871 nan 8.280 nan 0.000 0.464 420 S N 2.301 118.156 115.700 0.258 0.000 2.402 420 S HA -0.083 4.387 4.470 0.001 0.000 0.229 420 S C 1.832 176.567 174.600 0.226 0.000 1.021 420 S CA 0.686 59.037 58.200 0.252 0.000 0.974 420 S CB -0.004 63.365 63.200 0.282 0.000 0.800 420 S HN 0.899 nan 8.310 nan 0.000 0.484 421 G N 0.580 109.500 108.800 0.199 0.000 2.159 421 G HA2 -0.179 3.781 3.960 0.001 0.000 0.256 421 G HA3 -0.179 3.781 3.960 0.001 0.000 0.256 421 G C -0.543 174.440 174.900 0.137 0.000 0.977 421 G CA 0.225 45.417 45.100 0.154 0.000 0.652 421 G HN 0.596 nan 8.290 nan 0.000 0.531 422 D N -0.243 120.244 120.400 0.145 0.000 2.248 422 D HA 0.673 5.313 4.640 0.001 0.000 0.246 422 D C 0.153 176.502 176.300 0.081 0.000 1.027 422 D CA -0.446 53.623 54.000 0.115 0.000 0.853 422 D CB 1.397 42.275 40.800 0.130 0.000 1.243 422 D HN 0.082 nan 8.370 nan 0.000 0.462 423 I N 1.642 122.260 120.570 0.080 0.000 2.396 423 I HA 0.631 4.801 4.170 0.001 0.000 0.292 423 I C 0.456 176.637 176.117 0.105 0.000 0.999 423 I CA -0.079 61.276 61.300 0.092 0.000 1.310 423 I CB 1.192 39.243 38.000 0.086 0.000 1.404 423 I HN 0.461 nan 8.210 nan 0.000 0.496 424 A N 4.800 127.710 122.820 0.151 0.000 2.524 424 A HA 0.923 5.243 4.320 0.001 0.000 0.303 424 A C -1.796 175.965 177.584 0.295 0.000 1.195 424 A CA -0.522 51.632 52.037 0.195 0.000 0.651 424 A CB 1.457 20.548 19.000 0.151 0.000 1.323 424 A HN 0.768 nan 8.150 nan 0.000 0.479 425 Y N -2.305 118.096 120.300 0.169 0.000 2.641 425 Y HA 0.719 5.269 4.550 0.001 0.000 0.333 425 Y C -1.590 174.299 175.900 -0.018 0.000 1.174 425 Y CA -1.668 56.409 58.100 -0.037 0.000 1.057 425 Y CB 0.714 39.071 38.460 -0.171 0.000 1.322 425 Y HN 1.106 nan 8.280 nan 0.000 0.457 426 W N 2.190 123.400 121.300 -0.150 0.000 2.761 426 W HA 0.635 5.296 4.660 0.001 0.000 0.340 426 W C -1.473 175.062 176.519 0.027 0.000 1.072 426 W CA -0.846 56.276 57.345 -0.372 0.000 1.215 426 W CB 1.561 30.416 29.460 -1.010 0.000 1.420 426 W HN 0.779 nan 8.180 nan 0.000 0.519 427 D N -0.702 119.906 120.400 0.347 0.000 2.564 427 D HA 0.316 4.956 4.640 0.001 0.000 0.273 427 D C 1.307 177.789 176.300 0.303 0.000 1.192 427 D CA -0.125 54.035 54.000 0.267 0.000 1.080 427 D CB -0.264 40.722 40.800 0.310 0.000 1.160 427 D HN 0.486 nan 8.370 nan 0.000 0.607 428 E N -0.744 119.580 120.200 0.206 0.000 2.396 428 E HA -0.131 4.219 4.350 0.001 0.000 0.200 428 E C 0.766 177.481 176.600 0.191 0.000 1.023 428 E CA 1.457 57.969 56.400 0.188 0.000 0.857 428 E CB -0.771 29.001 29.700 0.120 0.000 0.775 428 E HN 0.483 nan 8.360 nan 0.000 0.525 429 D N -0.681 119.854 120.400 0.224 0.000 2.431 429 D HA 0.132 4.772 4.640 0.001 0.000 0.213 429 D C -0.032 176.322 176.300 0.089 0.000 1.130 429 D CA 0.335 54.442 54.000 0.179 0.000 0.834 429 D CB 0.506 41.472 40.800 0.277 0.000 0.985 429 D HN 0.585 nan 8.370 nan 0.000 0.504 430 E N -0.457 119.830 120.200 0.146 0.000 3.628 430 E HA -0.208 4.143 4.350 0.001 0.000 0.309 430 E C -0.298 176.328 176.600 0.044 0.000 0.839 430 E CA 0.441 56.875 56.400 0.058 0.000 1.123 430 E CB -1.826 27.869 29.700 -0.009 0.000 1.568 430 E HN 0.520 nan 8.360 nan 0.000 0.440 431 H N -0.758 118.385 119.070 0.122 0.000 2.683 431 H HA 0.333 4.889 4.556 0.001 0.000 0.339 431 H C 0.032 175.329 175.328 -0.052 0.000 1.081 431 H CA 0.071 56.137 56.048 0.029 0.000 1.432 431 H CB 0.460 30.182 29.762 -0.066 0.000 1.462 431 H HN -0.065 nan 8.280 nan 0.000 0.557 432 F N 2.451 122.345 119.950 -0.093 0.000 2.399 432 F HA 0.375 4.903 4.527 0.001 0.000 0.328 432 F C -0.564 174.917 175.800 -0.533 0.000 1.084 432 F CA -0.424 57.507 58.000 -0.115 0.000 1.053 432 F CB 0.819 39.792 39.000 -0.045 0.000 1.209 432 F HN 0.380 nan 8.300 nan 0.000 0.502 433 F N 3.224 123.045 119.950 -0.215 0.000 2.557 433 F HA 0.430 4.958 4.527 0.001 0.000 0.316 433 F C -0.675 174.996 175.800 -0.216 0.000 1.141 433 F CA -0.995 56.798 58.000 -0.344 0.000 0.922 433 F CB 1.228 39.735 39.000 -0.821 0.000 1.194 433 F HN 0.014 nan 8.300 nan 0.000 0.443 434 I N 4.165 124.767 120.570 0.054 0.000 2.325 434 I HA 0.192 4.362 4.170 0.001 0.000 0.291 434 I C 0.020 176.201 176.117 0.107 0.000 1.019 434 I CA -0.703 60.625 61.300 0.047 0.000 1.302 434 I CB 1.125 39.139 38.000 0.022 0.000 1.401 434 I HN 0.215 nan 8.210 nan 0.000 0.485 435 V N 6.115 126.107 119.914 0.130 0.000 2.425 435 V HA -0.060 4.060 4.120 0.001 0.000 0.276 435 V C 0.691 176.845 176.094 0.101 0.000 1.017 435 V CA -0.112 62.272 62.300 0.139 0.000 1.062 435 V CB 0.143 32.048 31.823 0.138 0.000 0.997 435 V HN 0.615 nan 8.190 nan 0.000 0.476 436 D N 4.723 125.178 120.400 0.093 0.000 2.363 436 D HA 0.037 4.677 4.640 0.001 0.000 0.263 436 D C 1.391 177.727 176.300 0.060 0.000 1.258 436 D CA -0.336 53.707 54.000 0.071 0.000 0.907 436 D CB 0.838 41.676 40.800 0.063 0.000 1.107 436 D HN 0.624 nan 8.370 nan 0.000 0.495 437 R N 3.926 124.460 120.500 0.057 0.000 2.237 437 R HA -0.027 4.313 4.340 0.001 0.000 0.219 437 R C 1.342 177.664 176.300 0.036 0.000 1.080 437 R CA 1.085 57.213 56.100 0.047 0.000 0.995 437 R CB -0.379 29.950 30.300 0.048 0.000 0.875 437 R HN 0.478 nan 8.270 nan 0.000 0.462 438 L N -0.030 121.214 121.223 0.035 0.000 2.395 438 L HA 0.089 4.430 4.340 0.001 0.000 0.218 438 L C 1.618 178.503 176.870 0.025 0.000 1.130 438 L CA 1.057 55.914 54.840 0.027 0.000 0.826 438 L CB -0.091 41.983 42.059 0.027 0.000 0.941 438 L HN 0.223 nan 8.230 nan 0.000 0.451 439 K N -0.662 119.756 120.400 0.030 0.000 2.358 439 K HA 0.048 4.368 4.320 0.001 0.000 0.197 439 K C 2.069 178.683 176.600 0.023 0.000 1.025 439 K CA 0.498 56.801 56.287 0.027 0.000 1.104 439 K CB 0.416 32.936 32.500 0.034 0.000 0.855 439 K HN 0.243 nan 8.250 nan 0.000 0.531 440 S N 1.431 117.145 115.700 0.024 0.000 2.368 440 S HA -0.209 4.261 4.470 0.001 0.000 0.226 440 S C 0.752 175.360 174.600 0.013 0.000 1.044 440 S CA 0.638 58.850 58.200 0.020 0.000 1.062 440 S CB -0.753 62.460 63.200 0.021 0.000 0.931 440 S HN 0.359 nan 8.310 nan 0.000 0.440 441 L N 0.127 121.358 121.223 0.013 0.000 0.762 441 L HA -0.117 4.223 4.340 0.001 0.000 0.363 441 L C -0.806 176.071 176.870 0.013 0.000 1.004 441 L CA -0.022 54.825 54.840 0.012 0.000 1.223 441 L CB -0.748 41.316 42.059 0.009 0.000 0.295 441 L HN 0.456 nan 8.230 nan 0.000 0.182 442 I N 2.061 122.642 120.570 0.017 0.000 2.377 442 I HA 0.504 4.675 4.170 0.001 0.000 0.293 442 I C 0.561 176.703 176.117 0.042 0.000 0.987 442 I CA -0.222 61.093 61.300 0.026 0.000 1.185 442 I CB 1.580 39.593 38.000 0.022 0.000 1.341 442 I HN 0.631 nan 8.210 nan 0.000 0.455 443 K N 5.841 126.269 120.400 0.048 0.000 2.389 443 K HA 0.320 4.641 4.320 0.001 0.000 0.261 443 K C -1.358 175.297 176.600 0.092 0.000 1.014 443 K CA -0.585 55.733 56.287 0.053 0.000 0.920 443 K CB 0.869 33.378 32.500 0.015 0.000 1.149 443 K HN 0.544 nan 8.250 nan 0.000 0.444 444 Y N 2.517 122.808 120.300 -0.016 0.000 2.454 444 Y HA 0.289 4.839 4.550 0.001 0.000 0.345 444 Y C 0.248 176.139 175.900 -0.015 0.000 0.970 444 Y CA -0.631 57.460 58.100 -0.015 0.000 1.204 444 Y CB 0.474 38.924 38.460 -0.016 0.000 1.122 444 Y HN 0.833 nan 8.280 nan 0.000 0.514 445 K N 4.948 125.098 120.400 -0.416 0.000 3.278 445 K HA -0.272 4.048 4.320 0.001 0.000 0.270 445 K C 1.068 177.562 176.600 -0.178 0.000 0.955 445 K CA 0.823 56.892 56.287 -0.363 0.000 0.723 445 K CB -1.531 30.629 32.500 -0.566 0.000 1.382 445 K HN 1.234 nan 8.250 nan 0.000 0.461 446 G N -1.806 106.934 108.800 -0.099 0.000 2.498 446 G HA2 -0.418 3.543 3.960 0.001 0.000 0.229 446 G HA3 -0.418 3.543 3.960 0.001 0.000 0.229 446 G C 0.439 175.327 174.900 -0.019 0.000 1.156 446 G CA 0.525 45.593 45.100 -0.053 0.000 0.680 446 G HN 1.070 nan 8.290 nan 0.000 0.512 447 Y N 2.052 122.349 120.300 -0.005 0.000 2.620 447 Y HA 0.576 5.127 4.550 0.001 0.000 0.330 447 Y C 0.768 176.700 175.900 0.054 0.000 1.186 447 Y CA 0.867 58.989 58.100 0.037 0.000 1.467 447 Y CB -0.011 38.497 38.460 0.080 0.000 1.262 447 Y HN 0.648 nan 8.280 nan 0.000 0.550 448 Q N 1.889 121.710 119.800 0.035 0.000 2.245 448 Q HA 0.682 5.022 4.340 0.001 0.000 0.256 448 Q C -1.167 174.849 176.000 0.027 0.000 0.942 448 Q CA -0.768 55.054 55.803 0.031 0.000 0.896 448 Q CB 2.657 31.404 28.738 0.015 0.000 1.272 448 Q HN 0.787 nan 8.270 nan 0.000 0.442 449 V N 1.010 120.939 119.914 0.024 0.000 2.733 449 V HA 0.703 4.823 4.120 0.001 0.000 0.306 449 V C -1.375 174.723 176.094 0.007 0.000 1.084 449 V CA -0.554 61.753 62.300 0.012 0.000 0.905 449 V CB 1.817 33.643 31.823 0.004 0.000 1.010 449 V HN 0.890 nan 8.190 nan 0.000 0.424 450 A N 8.796 131.618 122.820 0.004 0.000 2.409 450 A HA 0.612 4.932 4.320 0.001 0.000 0.267 450 A C -1.209 176.375 177.584 -0.000 0.000 1.127 450 A CA -0.972 51.068 52.037 0.004 0.000 0.795 450 A CB 0.444 19.448 19.000 0.006 0.000 1.061 450 A HN 0.785 nan 8.150 nan 0.000 0.502 451 P HA -0.228 nan 4.420 nan 0.000 0.218 451 P C 1.413 178.712 177.300 -0.002 0.000 1.148 451 P CA 1.960 65.058 63.100 -0.003 0.000 0.822 451 P CB 0.143 31.844 31.700 0.001 0.000 0.784 452 A N 0.451 123.273 122.820 0.003 0.000 1.972 452 A HA -0.213 4.107 4.320 0.001 0.000 0.219 452 A C 2.413 179.999 177.584 0.002 0.000 1.169 452 A CA 1.696 53.735 52.037 0.004 0.000 0.635 452 A CB -1.313 17.692 19.000 0.008 0.000 0.810 452 A HN 0.231 nan 8.150 nan 0.000 0.446 453 E N -0.047 120.152 120.200 -0.001 0.000 2.017 453 E HA -0.160 4.190 4.350 0.001 0.000 0.193 453 E C 1.950 178.544 176.600 -0.010 0.000 0.997 453 E CA 1.219 57.616 56.400 -0.005 0.000 0.804 453 E CB -0.226 29.469 29.700 -0.009 0.000 0.757 453 E HN 0.625 nan 8.360 nan 0.000 0.448 454 L N 0.638 121.850 121.223 -0.017 0.000 2.083 454 L HA -0.188 4.152 4.340 0.001 0.000 0.209 454 L C 2.422 179.289 176.870 -0.005 0.000 1.083 454 L CA 1.307 56.132 54.840 -0.025 0.000 0.752 454 L CB -0.387 41.652 42.059 -0.034 0.000 0.899 454 L HN 0.185 nan 8.230 nan 0.000 0.433 455 E N -0.631 119.569 120.200 -0.000 0.000 2.106 455 E HA -0.199 4.152 4.350 0.001 0.000 0.192 455 E C 2.368 178.982 176.600 0.022 0.000 0.984 455 E CA 1.274 57.679 56.400 0.008 0.000 0.806 455 E CB -0.066 29.633 29.700 -0.001 0.000 0.750 455 E HN 0.255 nan 8.360 nan 0.000 0.458 456 S N 0.437 116.148 115.700 0.019 0.000 2.370 456 S HA -0.144 4.326 4.470 0.001 0.000 0.226 456 S C 1.941 176.575 174.600 0.056 0.000 1.033 456 S CA 0.884 59.101 58.200 0.029 0.000 1.011 456 S CB -0.154 63.057 63.200 0.019 0.000 0.852 456 S HN 0.181 nan 8.310 nan 0.000 0.457 457 I N 1.002 121.600 120.570 0.048 0.000 2.202 457 I HA -0.178 3.992 4.170 0.001 0.000 0.242 457 I C 2.199 178.449 176.117 0.222 0.000 1.091 457 I CA 1.069 62.413 61.300 0.074 0.000 1.368 457 I CB -0.397 37.574 38.000 -0.047 0.000 1.058 457 I HN 0.301 nan 8.210 nan 0.000 0.410 458 L N 0.282 121.611 121.223 0.176 0.000 2.017 458 L HA -0.231 4.109 4.340 0.001 0.000 0.208 458 L C 2.529 179.520 176.870 0.202 0.000 1.073 458 L CA 1.393 56.374 54.840 0.235 0.000 0.745 458 L CB -0.552 41.575 42.059 0.114 0.000 0.894 458 L HN 0.254 nan 8.230 nan 0.000 0.432 459 L N -0.465 120.829 121.223 0.118 0.000 2.261 459 L HA -0.248 4.092 4.340 0.001 0.000 0.216 459 L C 2.571 179.505 176.870 0.106 0.000 1.114 459 L CA 0.971 55.858 54.840 0.079 0.000 0.777 459 L CB -0.429 41.647 42.059 0.029 0.000 0.910 459 L HN 0.408 nan 8.230 nan 0.000 0.440 460 Q N -0.841 119.051 119.800 0.153 0.000 2.369 460 Q HA -0.133 4.207 4.340 0.001 0.000 0.206 460 Q C 0.834 176.897 176.000 0.105 0.000 0.963 460 Q CA 0.401 56.290 55.803 0.145 0.000 0.894 460 Q CB 0.191 29.048 28.738 0.198 0.000 0.965 460 Q HN 0.415 nan 8.270 nan 0.000 0.475 461 H N 0.969 120.045 119.070 0.010 0.000 2.646 461 H HA 0.056 4.612 4.556 0.001 0.000 0.325 461 H C -1.686 173.598 175.328 -0.073 0.000 1.075 461 H CA -1.743 54.204 56.048 -0.169 0.000 1.421 461 H CB 1.632 31.181 29.762 -0.356 0.000 1.461 461 H HN 0.144 nan 8.280 nan 0.000 0.525 462 P HA -0.148 nan 4.420 nan 0.000 0.219 462 P C 0.530 177.861 177.300 0.050 0.000 1.146 462 P CA 1.069 64.107 63.100 -0.104 0.000 0.808 462 P CB 0.623 32.208 31.700 -0.193 0.000 0.779 463 N N -0.447 118.379 118.700 0.210 0.000 2.424 463 N HA 0.094 4.834 4.740 0.001 0.000 0.178 463 N C 0.864 176.483 175.510 0.182 0.000 1.060 463 N CA 0.291 53.456 53.050 0.192 0.000 0.901 463 N CB -0.007 38.602 38.487 0.203 0.000 0.979 463 N HN 0.273 nan 8.380 nan 0.000 0.451 464 I N 0.923 121.618 120.570 0.208 0.000 2.331 464 I HA 0.067 4.237 4.170 0.001 0.000 0.292 464 I C 0.792 177.040 176.117 0.219 0.000 0.998 464 I CA -0.506 60.908 61.300 0.191 0.000 1.267 464 I CB 1.058 39.149 38.000 0.152 0.000 1.386 464 I HN -0.091 nan 8.210 nan 0.000 0.476 465 F N 5.040 125.039 119.950 0.082 0.000 2.220 465 F HA 0.191 4.718 4.527 0.001 0.000 0.290 465 F C 0.562 176.401 175.800 0.066 0.000 1.080 465 F CA 0.895 58.937 58.000 0.069 0.000 1.318 465 F CB 0.274 39.314 39.000 0.067 0.000 1.063 465 F HN 0.405 nan 8.300 nan 0.000 0.498 466 D N -0.355 119.933 120.400 -0.187 0.000 2.596 466 D HA 0.632 5.272 4.640 0.001 0.000 0.234 466 D C -1.660 174.605 176.300 -0.059 0.000 1.181 466 D CA -0.216 53.617 54.000 -0.278 0.000 0.856 466 D CB 2.226 42.779 40.800 -0.411 0.000 1.498 466 D HN 0.328 nan 8.370 nan 0.000 0.446 467 A N 0.394 123.181 122.820 -0.055 0.000 2.574 467 A HA 0.769 5.089 4.320 0.001 0.000 0.297 467 A C -0.760 176.811 177.584 -0.022 0.000 1.062 467 A CA -0.287 51.740 52.037 -0.016 0.000 0.686 467 A CB 1.857 20.860 19.000 0.005 0.000 1.285 467 A HN 0.551 nan 8.150 nan 0.000 0.403 468 G N 0.435 109.225 108.800 -0.017 0.000 2.702 468 G HA2 0.570 4.530 3.960 0.001 0.000 0.295 468 G HA3 0.570 4.530 3.960 0.001 0.000 0.295 468 G C -1.180 173.709 174.900 -0.018 0.000 1.446 468 G CA -0.345 44.747 45.100 -0.014 0.000 0.983 468 G HN 0.952 nan 8.290 nan 0.000 0.520 469 V N 1.454 121.359 119.914 -0.015 0.000 2.394 469 V HA 0.821 4.941 4.120 0.001 0.000 0.282 469 V C 0.444 176.531 176.094 -0.013 0.000 1.031 469 V CA -0.253 62.035 62.300 -0.020 0.000 0.881 469 V CB 0.954 32.764 31.823 -0.021 0.000 0.982 469 V HN 1.114 nan 8.190 nan 0.000 0.451 470 A N 3.392 126.203 122.820 -0.016 0.000 2.556 470 A HA 0.847 5.167 4.320 0.001 0.000 0.294 470 A C 0.008 177.586 177.584 -0.011 0.000 1.091 470 A CA -0.266 51.766 52.037 -0.008 0.000 0.704 470 A CB 1.729 20.727 19.000 -0.004 0.000 1.300 470 A HN 1.038 nan 8.150 nan 0.000 0.406 471 G N 0.459 109.258 108.800 -0.002 0.000 2.356 471 G HA2 0.506 4.467 3.960 0.001 0.000 0.300 471 G HA3 0.506 4.467 3.960 0.001 0.000 0.300 471 G C -0.307 174.595 174.900 0.004 0.000 1.107 471 G CA -0.222 44.879 45.100 0.003 0.000 0.960 471 G HN 0.999 nan 8.290 nan 0.000 0.418 472 L N 6.653 127.875 121.223 -0.001 0.000 2.485 472 L HA 0.297 4.637 4.340 0.001 0.000 0.279 472 L C -1.671 175.206 176.870 0.013 0.000 1.124 472 L CA -2.228 52.612 54.840 0.000 0.000 0.888 472 L CB 0.189 42.242 42.059 -0.009 0.000 1.217 472 L HN 0.267 nan 8.230 nan 0.000 0.464 473 P HA 0.017 nan 4.420 nan 0.000 0.261 473 P C -1.194 176.117 177.300 0.018 0.000 1.183 473 P CA 0.204 63.313 63.100 0.015 0.000 0.761 473 P CB 0.671 32.375 31.700 0.007 0.000 0.785 474 D N 1.571 121.987 120.400 0.027 0.000 2.686 474 D HA 0.318 4.958 4.640 0.001 0.000 0.249 474 D C 1.181 177.491 176.300 0.018 0.000 1.260 474 D CA -0.148 53.869 54.000 0.029 0.000 0.910 474 D CB 0.917 41.750 40.800 0.055 0.000 1.323 474 D HN 0.213 nan 8.370 nan 0.000 0.561 475 D N 2.240 122.645 120.400 0.008 0.000 2.123 475 D HA -0.183 4.458 4.640 0.001 0.000 0.196 475 D C 1.476 177.771 176.300 -0.008 0.000 0.992 475 D CA 2.041 56.040 54.000 -0.002 0.000 0.833 475 D CB -0.915 39.883 40.800 -0.003 0.000 0.954 475 D HN 0.653 nan 8.370 nan 0.000 0.455 476 D N -1.242 119.157 120.400 -0.002 0.000 2.348 476 D HA 0.483 5.123 4.640 0.001 0.000 0.216 476 D C 1.690 177.969 176.300 -0.035 0.000 0.970 476 D CA 1.625 55.618 54.000 -0.012 0.000 0.889 476 D CB -0.140 40.662 40.800 0.003 0.000 0.912 476 D HN 0.947 nan 8.370 nan 0.000 0.524 477 A N -2.854 119.950 122.820 -0.027 0.000 2.704 477 A HA 0.613 4.933 4.320 0.001 0.000 0.260 477 A C 1.967 179.509 177.584 -0.069 0.000 1.144 477 A CA 1.000 52.977 52.037 -0.099 0.000 0.985 477 A CB 0.111 19.071 19.000 -0.066 0.000 1.256 477 A HN 1.526 nan 8.150 nan 0.000 0.598 478 G N 0.131 108.918 108.800 -0.022 0.000 5.353 478 G HA2 -0.236 3.724 3.960 0.001 0.000 0.283 478 G HA3 -0.236 3.724 3.960 0.001 0.000 0.283 478 G C -0.004 174.917 174.900 0.034 0.000 1.457 478 G CA 0.419 45.515 45.100 -0.006 0.000 0.951 478 G HN 0.689 nan 8.290 nan 0.000 0.731 479 E N -0.333 119.917 120.200 0.083 0.000 2.331 479 E HA 0.645 4.995 4.350 0.001 0.000 0.275 479 E C -1.081 175.621 176.600 0.170 0.000 0.895 479 E CA -0.726 55.731 56.400 0.096 0.000 0.753 479 E CB 2.389 32.128 29.700 0.065 0.000 1.216 479 E HN 0.323 nan 8.360 nan 0.000 0.434 480 L N 3.401 124.677 121.223 0.089 0.000 2.298 480 L HA 0.405 4.745 4.340 0.001 0.000 0.284 480 L C -2.421 174.429 176.870 -0.032 0.000 1.013 480 L CA -2.182 52.673 54.840 0.025 0.000 0.824 480 L CB 1.406 43.472 42.059 0.011 0.000 1.221 480 L HN 0.177 nan 8.230 nan 0.000 0.418 481 P HA 0.095 nan 4.420 nan 0.000 0.262 481 P C -0.757 176.496 177.300 -0.077 0.000 1.199 481 P CA 0.259 63.315 63.100 -0.073 0.000 0.763 481 P CB 0.906 32.544 31.700 -0.104 0.000 0.790 482 A N 3.006 125.791 122.820 -0.058 0.000 2.532 482 A HA 0.936 5.256 4.320 0.001 0.000 0.290 482 A C -1.344 176.202 177.584 -0.063 0.000 1.143 482 A CA -0.545 51.453 52.037 -0.066 0.000 0.728 482 A CB 1.812 20.778 19.000 -0.057 0.000 1.317 482 A HN 0.480 nan 8.150 nan 0.000 0.414 483 A N -0.380 122.391 122.820 -0.082 0.000 2.547 483 A HA 0.665 4.985 4.320 0.001 0.000 0.297 483 A C -0.666 176.855 177.584 -0.106 0.000 1.056 483 A CA 0.047 52.038 52.037 -0.077 0.000 0.688 483 A CB 1.017 19.976 19.000 -0.068 0.000 1.282 483 A HN 2.196 nan 8.150 nan 0.000 0.400 484 V N 0.133 120.004 119.914 -0.073 0.000 2.407 484 V HA 0.813 4.933 4.120 0.001 0.000 0.278 484 V C -0.352 175.712 176.094 -0.050 0.000 1.037 484 V CA -0.572 61.686 62.300 -0.070 0.000 0.900 484 V CB 0.842 32.651 31.823 -0.024 0.000 0.983 484 V HN 0.724 nan 8.190 nan 0.000 0.459 485 V N 4.979 124.856 119.914 -0.060 0.000 2.540 485 V HA 0.459 4.579 4.120 0.001 0.000 0.302 485 V C -0.131 176.079 176.094 0.194 0.000 1.035 485 V CA -0.548 61.776 62.300 0.040 0.000 0.873 485 V CB 2.094 33.917 31.823 0.000 0.000 0.992 485 V HN 0.798 nan 8.190 nan 0.000 0.428 486 V N 6.364 126.394 119.914 0.193 0.000 2.311 486 V HA 0.383 4.503 4.120 0.001 0.000 0.275 486 V C 0.192 176.465 176.094 0.299 0.000 1.022 486 V CA -0.382 62.074 62.300 0.260 0.000 0.830 486 V CB 1.113 33.116 31.823 0.300 0.000 1.012 486 V HN 0.622 nan 8.190 nan 0.000 0.452 487 L N 2.825 124.198 121.223 0.250 0.000 2.452 487 L HA 0.319 4.659 4.340 0.001 0.000 0.267 487 L C 0.741 177.712 176.870 0.169 0.000 1.188 487 L CA -0.251 54.699 54.840 0.182 0.000 0.821 487 L CB 0.565 42.657 42.059 0.054 0.000 1.102 487 L HN 0.566 nan 8.230 nan 0.000 0.470 488 E N 1.212 121.501 120.200 0.148 0.000 2.392 488 E HA -0.057 4.293 4.350 0.001 0.000 0.264 488 E C -0.050 176.557 176.600 0.012 0.000 1.024 488 E CA 0.031 56.485 56.400 0.089 0.000 0.903 488 E CB 0.336 30.093 29.700 0.096 0.000 0.963 488 E HN 0.308 nan 8.360 nan 0.000 0.432 489 H N 3.224 122.228 119.070 -0.110 0.000 3.070 489 H HA 0.032 4.588 4.556 0.001 0.000 0.313 489 H C 0.983 176.273 175.328 -0.063 0.000 0.997 489 H CA 1.632 57.623 56.048 -0.096 0.000 1.438 489 H CB 0.160 29.845 29.762 -0.128 0.000 1.455 489 H HN 0.795 nan 8.280 nan 0.000 0.575 490 G N 4.571 112.952 108.800 -0.699 0.000 2.199 490 G HA2 -0.226 3.734 3.960 0.001 0.000 0.254 490 G HA3 -0.226 3.734 3.960 0.001 0.000 0.254 490 G C -0.081 174.684 174.900 -0.225 0.000 0.982 490 G CA 0.325 45.128 45.100 -0.495 0.000 0.632 490 G HN 0.629 nan 8.290 nan 0.000 0.529 491 K N 0.792 121.099 120.400 -0.156 0.000 2.138 491 K HA 0.684 5.004 4.320 0.001 0.000 0.263 491 K C 0.022 176.559 176.600 -0.105 0.000 0.965 491 K CA 0.276 56.509 56.287 -0.090 0.000 0.868 491 K CB 1.487 33.969 32.500 -0.031 0.000 1.083 491 K HN 0.406 nan 8.250 nan 0.000 0.443 492 T N 1.641 116.138 114.554 -0.093 0.000 2.829 492 T HA 0.629 4.979 4.350 0.001 0.000 0.280 492 T C -0.520 174.122 174.700 -0.097 0.000 0.999 492 T CA -0.698 61.327 62.100 -0.125 0.000 0.983 492 T CB 0.731 69.531 68.868 -0.113 0.000 0.968 492 T HN 0.595 nan 8.240 nan 0.000 0.446 493 M N 3.056 122.569 119.600 -0.145 0.000 2.365 493 M HA 0.481 4.961 4.480 0.001 0.000 0.287 493 M C -0.147 176.139 176.300 -0.024 0.000 1.154 493 M CA -0.574 54.691 55.300 -0.058 0.000 0.941 493 M CB 2.241 34.837 32.600 -0.006 0.000 1.704 493 M HN 0.770 nan 8.290 nan 0.000 0.479 494 T N -0.904 113.692 114.554 0.070 0.000 2.918 494 T HA 0.311 4.662 4.350 0.001 0.000 0.283 494 T C 0.748 175.618 174.700 0.284 0.000 1.001 494 T CA -0.366 61.836 62.100 0.168 0.000 1.041 494 T CB 1.525 70.442 68.868 0.083 0.000 1.028 494 T HN 0.891 nan 8.240 nan 0.000 0.511 495 E N 0.952 121.334 120.200 0.303 0.000 2.085 495 E HA -0.253 4.097 4.350 0.001 0.000 0.194 495 E C 1.969 178.599 176.600 0.050 0.000 0.994 495 E CA 1.435 57.896 56.400 0.102 0.000 0.801 495 E CB -0.105 29.614 29.700 0.031 0.000 0.743 495 E HN 0.788 nan 8.360 nan 0.000 0.453 496 K N 0.520 120.956 120.400 0.059 0.000 2.032 496 K HA -0.221 4.100 4.320 0.001 0.000 0.209 496 K C 2.012 178.636 176.600 0.039 0.000 1.048 496 K CA 1.890 58.198 56.287 0.036 0.000 0.927 496 K CB -0.057 32.464 32.500 0.035 0.000 0.712 496 K HN 0.167 nan 8.250 nan 0.000 0.441 497 E N 0.530 120.758 120.200 0.047 0.000 2.058 497 E HA -0.212 4.138 4.350 0.001 0.000 0.194 497 E C 2.127 178.748 176.600 0.035 0.000 0.997 497 E CA 1.652 58.074 56.400 0.036 0.000 0.801 497 E CB -0.181 29.528 29.700 0.015 0.000 0.746 497 E HN 0.395 nan 8.360 nan 0.000 0.450 498 I N 0.663 121.248 120.570 0.024 0.000 2.179 498 I HA -0.260 3.910 4.170 0.001 0.000 0.242 498 I C 2.422 178.578 176.117 0.065 0.000 1.088 498 I CA 0.836 62.154 61.300 0.030 0.000 1.357 498 I CB -0.307 37.696 38.000 0.005 0.000 1.051 498 I HN -0.006 nan 8.210 nan 0.000 0.409 499 V N 0.882 120.806 119.914 0.017 0.000 2.287 499 V HA -0.306 3.815 4.120 0.001 0.000 0.248 499 V C 2.084 178.180 176.094 0.003 0.000 1.053 499 V CA 2.070 64.364 62.300 -0.009 0.000 1.027 499 V CB -0.691 31.117 31.823 -0.025 0.000 0.646 499 V HN 0.402 nan 8.190 nan 0.000 0.447 500 D N -1.106 119.314 120.400 0.033 0.000 2.117 500 D HA -0.189 4.451 4.640 0.001 0.000 0.197 500 D C 1.925 178.271 176.300 0.078 0.000 0.987 500 D CA 1.485 55.511 54.000 0.043 0.000 0.829 500 D CB -0.339 40.493 40.800 0.054 0.000 0.961 500 D HN 0.600 nan 8.370 nan 0.000 0.460 501 Y N 1.754 122.049 120.300 -0.009 0.000 2.145 501 Y HA -0.214 4.336 4.550 0.001 0.000 0.286 501 Y C 2.126 178.034 175.900 0.014 0.000 1.145 501 Y CA 1.031 59.142 58.100 0.018 0.000 1.148 501 Y CB -0.560 37.904 38.460 0.007 0.000 0.981 501 Y HN -0.196 nan 8.280 nan 0.000 0.507 502 V N 0.961 120.734 119.914 -0.236 0.000 2.287 502 V HA -0.346 3.774 4.120 0.001 0.000 0.248 502 V C 2.790 178.743 176.094 -0.234 0.000 1.053 502 V CA 1.979 64.081 62.300 -0.329 0.000 1.027 502 V CB -1.733 29.998 31.823 -0.154 0.000 0.646 502 V HN 0.593 nan 8.190 nan 0.000 0.447 503 A N 0.788 123.529 122.820 -0.132 0.000 1.940 503 A HA -0.219 4.102 4.320 0.001 0.000 0.219 503 A C 2.390 179.923 177.584 -0.086 0.000 1.176 503 A CA 2.234 54.216 52.037 -0.092 0.000 0.631 503 A CB -0.779 18.189 19.000 -0.053 0.000 0.814 503 A HN 0.729 nan 8.150 nan 0.000 0.446 504 S N -1.478 114.172 115.700 -0.084 0.000 2.603 504 S HA 0.003 4.474 4.470 0.001 0.000 0.229 504 S C 1.244 175.791 174.600 -0.089 0.000 0.972 504 S CA 0.894 59.062 58.200 -0.052 0.000 0.935 504 S CB -0.011 63.196 63.200 0.012 0.000 0.769 504 S HN 0.603 nan 8.310 nan 0.000 0.536 505 Q N 0.188 119.893 119.800 -0.158 0.000 2.210 505 Q HA 0.324 4.665 4.340 0.001 0.000 0.252 505 Q C 0.484 176.418 176.000 -0.111 0.000 0.811 505 Q CA 0.348 56.058 55.803 -0.155 0.000 0.953 505 Q CB 1.458 30.027 28.738 -0.281 0.000 1.136 505 Q HN 0.641 nan 8.270 nan 0.000 0.491 506 V N -1.451 118.401 119.914 -0.104 0.000 3.126 506 V HA 0.695 4.816 4.120 0.001 0.000 0.314 506 V C 0.300 176.362 176.094 -0.053 0.000 1.138 506 V CA -0.939 61.316 62.300 -0.075 0.000 1.034 506 V CB 1.183 32.956 31.823 -0.083 0.000 1.075 506 V HN 0.170 nan 8.190 nan 0.000 0.442 507 T N -1.809 112.724 114.554 -0.036 0.000 2.855 507 T HA 0.365 4.716 4.350 0.001 0.000 0.314 507 T C 1.417 176.103 174.700 -0.023 0.000 1.077 507 T CA 0.701 62.788 62.100 -0.020 0.000 1.095 507 T CB 0.459 69.323 68.868 -0.007 0.000 0.987 507 T HN 1.764 nan 8.240 nan 0.000 0.546 508 T N 0.230 114.779 114.554 -0.009 0.000 2.918 508 T HA 0.116 4.467 4.350 0.001 0.000 0.271 508 T C 1.998 176.702 174.700 0.007 0.000 1.104 508 T CA 1.828 63.925 62.100 -0.006 0.000 1.114 508 T CB -0.668 68.210 68.868 0.016 0.000 0.855 508 T HN 0.963 nan 8.240 nan 0.000 0.518 509 A N 0.700 123.539 122.820 0.031 0.000 2.072 509 A HA 0.190 4.511 4.320 0.001 0.000 0.216 509 A C 2.095 179.684 177.584 0.008 0.000 1.156 509 A CA 0.963 53.055 52.037 0.090 0.000 0.701 509 A CB 0.090 19.149 19.000 0.099 0.000 0.816 509 A HN 0.540 nan 8.150 nan 0.000 0.458 510 K N 0.341 120.714 120.400 -0.044 0.000 2.437 510 K HA 0.158 4.479 4.320 0.001 0.000 0.205 510 K C -0.368 176.158 176.600 -0.124 0.000 1.026 510 K CA -0.144 56.099 56.287 -0.074 0.000 1.153 510 K CB 0.474 32.945 32.500 -0.049 0.000 0.863 510 K HN 0.285 nan 8.250 nan 0.000 0.502 511 K N 1.174 121.473 120.400 -0.170 0.000 2.355 511 K HA 0.104 4.424 4.320 0.001 0.000 0.270 511 K C 0.242 176.726 176.600 -0.193 0.000 1.003 511 K CA -0.125 56.059 56.287 -0.172 0.000 0.957 511 K CB 0.718 33.117 32.500 -0.168 0.000 0.939 511 K HN 0.066 nan 8.250 nan 0.000 0.482 512 L N 4.875 126.013 121.223 -0.142 0.000 2.650 512 L HA 0.015 4.355 4.340 0.001 0.000 0.239 512 L C 1.280 178.073 176.870 -0.128 0.000 1.412 512 L CA 0.373 55.138 54.840 -0.125 0.000 1.219 512 L CB -0.509 41.493 42.059 -0.094 0.000 1.534 512 L HN 0.559 nan 8.230 nan 0.000 0.430 513 R N 0.318 120.713 120.500 -0.175 0.000 2.120 513 R HA -0.118 4.222 4.340 0.001 0.000 0.234 513 R C 2.178 178.420 176.300 -0.097 0.000 1.123 513 R CA 1.176 57.186 56.100 -0.149 0.000 0.975 513 R CB -0.204 29.961 30.300 -0.224 0.000 0.866 513 R HN 0.608 nan 8.270 nan 0.000 0.446 514 G N 0.400 109.143 108.800 -0.094 0.000 2.470 514 G HA2 0.106 4.066 3.960 0.001 0.000 0.220 514 G HA3 0.106 4.066 3.960 0.001 0.000 0.220 514 G C 0.673 175.534 174.900 -0.065 0.000 1.121 514 G CA 0.603 45.665 45.100 -0.063 0.000 0.766 514 G HN 0.627 nan 8.290 nan 0.000 0.553 515 G N -2.062 106.690 108.800 -0.080 0.000 2.610 515 G HA2 0.080 4.040 3.960 0.001 0.000 0.304 515 G HA3 0.080 4.040 3.960 0.001 0.000 0.304 515 G C -0.869 173.953 174.900 -0.129 0.000 1.309 515 G CA -0.421 44.625 45.100 -0.091 0.000 0.906 515 G HN 0.880 nan 8.290 nan 0.000 0.521 516 V N -0.490 119.312 119.914 -0.186 0.000 2.604 516 V HA 0.681 4.801 4.120 0.001 0.000 0.305 516 V C 0.115 175.974 176.094 -0.393 0.000 1.043 516 V CA -0.701 61.404 62.300 -0.324 0.000 0.888 516 V CB 1.836 33.365 31.823 -0.491 0.000 0.995 516 V HN 1.076 nan 8.190 nan 0.000 0.429 517 V N 4.785 124.482 119.914 -0.362 0.000 2.376 517 V HA 0.445 4.566 4.120 0.001 0.000 0.287 517 V C -0.659 175.279 176.094 -0.260 0.000 1.015 517 V CA -0.513 61.639 62.300 -0.246 0.000 0.834 517 V CB 1.308 33.071 31.823 -0.100 0.000 1.001 517 V HN 0.668 nan 8.190 nan 0.000 0.428 518 F N 5.314 125.271 119.950 0.013 0.000 2.502 518 F HA 0.447 4.974 4.527 0.001 0.000 0.371 518 F C 0.538 176.353 175.800 0.026 0.000 1.083 518 F CA -0.134 57.878 58.000 0.020 0.000 1.174 518 F CB 0.926 39.936 39.000 0.015 0.000 1.096 518 F HN 0.395 nan 8.300 nan 0.000 0.545 519 V N -0.076 119.954 119.914 0.193 0.000 3.046 519 V HA 0.532 4.653 4.120 0.001 0.000 0.316 519 V C 0.123 176.303 176.094 0.145 0.000 1.104 519 V CA -0.850 61.529 62.300 0.132 0.000 1.006 519 V CB 2.192 34.064 31.823 0.082 0.000 1.058 519 V HN 0.575 nan 8.190 nan 0.000 0.440 520 D N 0.558 121.026 120.400 0.114 0.000 2.333 520 D HA 0.180 4.820 4.640 0.001 0.000 0.208 520 D C 0.347 176.724 176.300 0.128 0.000 0.984 520 D CA 0.982 55.050 54.000 0.114 0.000 0.873 520 D CB 0.902 41.751 40.800 0.080 0.000 0.935 520 D HN 0.842 nan 8.370 nan 0.000 0.521 521 E N 0.316 120.582 120.200 0.110 0.000 2.343 521 E HA 0.211 4.561 4.350 0.001 0.000 0.286 521 E C -1.466 175.179 176.600 0.075 0.000 0.915 521 E CA -0.382 56.081 56.400 0.105 0.000 0.784 521 E CB 2.334 32.086 29.700 0.087 0.000 1.251 521 E HN -0.308 nan 8.360 nan 0.000 0.407 522 V N 5.909 125.860 119.914 0.062 0.000 2.470 522 V HA 0.222 4.342 4.120 0.001 0.000 0.276 522 V C -1.877 174.238 176.094 0.034 0.000 1.040 522 V CA -1.215 61.107 62.300 0.036 0.000 1.008 522 V CB 0.595 32.425 31.823 0.011 0.000 0.990 522 V HN 0.595 nan 8.190 nan 0.000 0.477 523 P HA 0.104 nan 4.420 nan 0.000 0.262 523 P C -0.555 176.767 177.300 0.036 0.000 1.199 523 P CA 0.210 63.331 63.100 0.036 0.000 0.763 523 P CB 0.530 32.250 31.700 0.033 0.000 0.790 524 K N 1.950 122.375 120.400 0.042 0.000 2.238 524 K HA 0.664 4.985 4.320 0.001 0.000 0.239 524 K C 0.582 177.217 176.600 0.059 0.000 0.987 524 K CA -0.703 55.612 56.287 0.047 0.000 0.857 524 K CB 2.385 34.913 32.500 0.047 0.000 1.154 524 K HN 0.499 nan 8.250 nan 0.000 0.439 525 G N 0.144 108.986 108.800 0.069 0.000 2.509 525 G HA2 0.375 4.335 3.960 0.001 0.000 0.328 525 G HA3 0.375 4.335 3.960 0.001 0.000 0.328 525 G C 0.899 175.857 174.900 0.095 0.000 1.194 525 G CA -0.733 44.419 45.100 0.087 0.000 0.967 525 G HN 0.466 nan 8.290 nan 0.000 0.488 526 L N 0.081 121.373 121.223 0.115 0.000 2.187 526 L HA -0.144 4.196 4.340 0.001 0.000 0.213 526 L C 3.081 180.008 176.870 0.095 0.000 1.100 526 L CA 1.722 56.633 54.840 0.117 0.000 0.765 526 L CB -0.610 41.533 42.059 0.141 0.000 0.904 526 L HN 0.676 nan 8.230 nan 0.000 0.437 527 T N -1.622 112.991 114.554 0.099 0.000 2.833 527 T HA -0.041 4.309 4.350 0.001 0.000 0.269 527 T C 1.494 176.231 174.700 0.063 0.000 1.054 527 T CA 1.021 63.165 62.100 0.073 0.000 1.135 527 T CB -0.283 68.655 68.868 0.117 0.000 0.869 527 T HN 0.570 nan 8.240 nan 0.000 0.466 528 G N 0.371 109.213 108.800 0.071 0.000 2.135 528 G HA2 0.205 4.166 3.960 0.001 0.000 0.183 528 G HA3 0.205 4.166 3.960 0.001 0.000 0.183 528 G C -0.040 174.891 174.900 0.051 0.000 1.004 528 G CA 0.129 45.266 45.100 0.061 0.000 0.677 528 G HN 0.944 nan 8.290 nan 0.000 0.512 529 K N 0.142 120.576 120.400 0.057 0.000 2.281 529 K HA 0.929 5.249 4.320 0.001 0.000 0.242 529 K C 0.466 177.095 176.600 0.048 0.000 0.971 529 K CA -0.612 55.705 56.287 0.050 0.000 0.834 529 K CB 0.928 33.463 32.500 0.058 0.000 1.181 529 K HN 0.683 nan 8.250 nan 0.000 0.435 530 L N 1.260 122.504 121.223 0.036 0.000 2.483 530 L HA 0.131 4.471 4.340 0.001 0.000 0.276 530 L C 0.105 176.999 176.870 0.040 0.000 1.213 530 L CA -0.290 54.569 54.840 0.031 0.000 0.843 530 L CB 0.739 42.809 42.059 0.019 0.000 1.107 530 L HN 0.861 nan 8.230 nan 0.000 0.487 531 D N 1.514 121.937 120.400 0.038 0.000 2.485 531 D HA 0.335 4.975 4.640 0.001 0.000 0.221 531 D C 0.749 177.069 176.300 0.032 0.000 1.112 531 D CA -0.136 53.890 54.000 0.043 0.000 0.911 531 D CB 1.544 42.372 40.800 0.047 0.000 1.019 531 D HN 0.539 nan 8.370 nan 0.000 0.516 532 A N 4.020 126.859 122.820 0.031 0.000 1.948 532 A HA -0.209 4.111 4.320 0.001 0.000 0.220 532 A C 2.360 179.957 177.584 0.021 0.000 1.177 532 A CA 2.315 54.366 52.037 0.023 0.000 0.636 532 A CB -0.669 18.346 19.000 0.024 0.000 0.815 532 A HN 0.572 nan 8.150 nan 0.000 0.449 533 R N -1.161 119.354 120.500 0.026 0.000 2.081 533 R HA -0.079 4.261 4.340 0.001 0.000 0.235 533 R C 2.529 178.841 176.300 0.019 0.000 1.131 533 R CA 2.820 58.933 56.100 0.022 0.000 0.960 533 R CB -1.706 28.609 30.300 0.026 0.000 0.856 533 R HN 0.800 nan 8.270 nan 0.000 0.436 534 K N 0.890 121.304 120.400 0.023 0.000 2.097 534 K HA 0.182 4.502 4.320 0.001 0.000 0.205 534 K C 2.270 178.880 176.600 0.016 0.000 1.050 534 K CA 1.372 57.672 56.287 0.021 0.000 0.938 534 K CB -0.609 31.907 32.500 0.027 0.000 0.718 534 K HN 0.565 nan 8.250 nan 0.000 0.442 535 I N -0.060 120.519 120.570 0.014 0.000 2.163 535 I HA -0.261 3.909 4.170 0.001 0.000 0.243 535 I C 2.905 179.023 176.117 0.001 0.000 1.085 535 I CA 1.546 62.850 61.300 0.007 0.000 1.347 535 I CB -0.151 37.852 38.000 0.004 0.000 1.044 535 I HN 0.286 nan 8.210 nan 0.000 0.408 536 R N 0.904 121.407 120.500 0.004 0.000 2.083 536 R HA -0.208 4.132 4.340 0.001 0.000 0.237 536 R C 2.635 178.936 176.300 0.002 0.000 1.137 536 R CA 2.180 58.281 56.100 0.002 0.000 0.951 536 R CB -0.558 29.745 30.300 0.005 0.000 0.851 536 R HN 0.467 nan 8.270 nan 0.000 0.434 537 E N 0.736 120.940 120.200 0.006 0.000 2.058 537 E HA -0.184 4.166 4.350 0.001 0.000 0.194 537 E C 1.872 178.475 176.600 0.005 0.000 0.997 537 E CA 1.751 58.155 56.400 0.006 0.000 0.801 537 E CB -0.798 28.908 29.700 0.010 0.000 0.746 537 E HN 0.503 nan 8.360 nan 0.000 0.450 538 I N 0.102 120.675 120.570 0.006 0.000 2.179 538 I HA -0.225 3.946 4.170 0.001 0.000 0.242 538 I C 2.824 178.939 176.117 -0.003 0.000 1.088 538 I CA 1.280 62.583 61.300 0.005 0.000 1.357 538 I CB -0.276 37.728 38.000 0.007 0.000 1.051 538 I HN 0.218 nan 8.210 nan 0.000 0.409 539 L N 0.373 121.590 121.223 -0.010 0.000 2.046 539 L HA -0.226 4.115 4.340 0.001 0.000 0.208 539 L C 2.517 179.380 176.870 -0.011 0.000 1.077 539 L CA 1.512 56.342 54.840 -0.018 0.000 0.747 539 L CB -0.438 41.608 42.059 -0.022 0.000 0.896 539 L HN 0.224 nan 8.230 nan 0.000 0.432 540 I N 0.150 120.717 120.570 -0.005 0.000 2.163 540 I HA -0.279 3.891 4.170 0.001 0.000 0.240 540 I C 3.172 179.289 176.117 0.000 0.000 1.081 540 I CA 1.561 62.860 61.300 -0.002 0.000 1.353 540 I CB -0.643 37.357 38.000 0.000 0.000 1.054 540 I HN 0.186 nan 8.210 nan 0.000 0.407 541 K N 1.099 121.501 120.400 0.003 0.000 2.103 541 K HA -0.100 4.220 4.320 0.001 0.000 0.207 541 K C 2.180 178.784 176.600 0.006 0.000 1.048 541 K CA 1.711 58.002 56.287 0.005 0.000 0.930 541 K CB -1.291 31.214 32.500 0.008 0.000 0.716 541 K HN 0.515 nan 8.250 nan 0.000 0.444 542 A N 1.019 123.842 122.820 0.004 0.000 1.930 542 A HA 0.015 4.335 4.320 0.001 0.000 0.215 542 A C 1.281 178.866 177.584 0.002 0.000 1.176 542 A CA 0.801 52.840 52.037 0.004 0.000 0.632 542 A CB 0.123 19.123 19.000 -0.000 0.000 0.819 542 A HN 0.320 nan 8.150 nan 0.000 0.445 543 K N 1.708 122.106 120.400 -0.003 0.000 2.480 543 K HA 0.381 4.701 4.320 0.001 0.000 0.241 543 K C 0.628 177.229 176.600 0.001 0.000 1.261 543 K CA 0.676 56.961 56.287 -0.003 0.000 1.193 543 K CB -1.330 31.165 32.500 -0.008 0.000 1.598 543 K HN 0.606 nan 8.250 nan 0.000 0.278 544 K N 0.000 120.402 120.400 0.004 0.000 2.780 544 K HA 0.000 4.320 4.320 0.001 0.000 0.191 544 K CA 0.000 56.290 56.287 0.005 0.000 0.838 544 K CB 0.000 32.503 32.500 0.005 0.000 1.064 544 K HN 0.000 nan 8.250 nan 0.000 0.543