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 2dwq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLAVGIVGLP NVGKSTLFNA LTRANALAAX XXXXTIDKNV GVVPLEDERL DATA SEQUENCE YALQRTFAKG ERVPPVVPTH VEFVDIAGLV KGAHKGEGLG NQFLAHIREV DATA SEQUENCE AAIAHVLRCF PDPXXXXXXX XXDPLEDAEV VETELLLADL ATLERRLERL DATA SEQUENCE RKEARADRER LPLLEAAEGL YVHLQEGKPA RTFPPSEAVA RFLKETPLLT DATA SEQUENCE AKPVIYVANV AEEDLPDGRG NPQVEAVRRK ALEEGAEVVV VSARLEAELA DATA SEQUENCE ELSGEEAREL LAAYGLQESG LQRLARAGYR ALDLLTFFTA GEKEVRAWTV DATA SEQUENCE RRGTKAPRAA GEIHSDMERG FIRAEVIPWD KLVEAGGWAR AKERGWVRLE DATA SEQUENCE GKDYEVQDGD VIYVLFNA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.031 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 L N 3.490 124.688 121.223 -0.041 0.000 2.331 2 L HA 0.966 5.239 4.340 -0.111 0.000 0.278 2 L C 0.222 177.050 176.870 -0.070 0.000 1.106 2 L CA -0.307 54.495 54.840 -0.065 0.000 0.824 2 L CB 1.305 43.312 42.059 -0.087 0.000 1.142 2 L HN 0.969 nan 8.230 nan 0.000 0.443 3 A N 3.474 126.243 122.820 -0.085 0.000 2.594 3 A HA 0.724 4.977 4.320 -0.111 0.000 0.295 3 A C -1.189 176.309 177.584 -0.143 0.000 1.071 3 A CA -0.479 51.490 52.037 -0.113 0.000 0.685 3 A CB 1.808 20.778 19.000 -0.050 0.000 1.285 3 A HN 0.312 nan 8.150 nan 0.000 0.405 4 V N 0.942 120.700 119.914 -0.260 0.000 2.427 4 V HA 0.648 4.701 4.120 -0.111 0.000 0.286 4 V C 0.917 177.019 176.094 0.013 0.000 1.034 4 V CA 0.021 62.212 62.300 -0.180 0.000 0.893 4 V CB 1.625 33.232 31.823 -0.360 0.000 0.982 4 V HN 1.244 nan 8.190 nan 0.000 0.452 5 G N 4.454 113.291 108.800 0.063 0.000 2.320 5 G HA2 0.621 4.514 3.960 -0.111 0.000 0.300 5 G HA3 0.621 4.514 3.960 -0.111 0.000 0.300 5 G C -0.710 174.283 174.900 0.156 0.000 1.126 5 G CA -0.362 44.793 45.100 0.092 0.000 0.896 5 G HN 0.580 nan 8.290 nan 0.000 0.436 6 I N 1.840 122.534 120.570 0.207 0.000 2.440 6 I HA 0.468 4.571 4.170 -0.111 0.000 0.294 6 I C 0.256 176.438 176.117 0.108 0.000 0.995 6 I CA -0.418 61.017 61.300 0.224 0.000 1.306 6 I CB 1.956 40.153 38.000 0.328 0.000 1.407 6 I HN 0.387 nan 8.210 nan 0.000 0.501 7 V N 2.396 122.375 119.914 0.108 0.000 2.888 7 V HA 1.066 5.119 4.120 -0.111 0.000 0.309 7 V C -0.543 175.582 176.094 0.050 0.000 1.114 7 V CA -0.372 61.953 62.300 0.041 0.000 0.940 7 V CB 1.476 33.289 31.823 -0.016 0.000 1.021 7 V HN 0.949 nan 8.190 nan 0.000 0.426 8 G N 2.586 111.417 108.800 0.052 0.000 2.655 8 G HA2 0.563 4.457 3.960 -0.111 0.000 0.296 8 G HA3 0.563 4.457 3.960 -0.111 0.000 0.296 8 G C -1.541 173.408 174.900 0.081 0.000 1.485 8 G CA -0.873 44.296 45.100 0.115 0.000 0.869 8 G HN 0.957 nan 8.290 nan 0.000 0.540 9 L N 0.945 122.223 121.223 0.092 0.000 2.470 9 L HA 0.431 4.704 4.340 -0.111 0.000 0.243 9 L C -1.573 175.319 176.870 0.037 0.000 1.227 9 L CA -1.216 53.651 54.840 0.045 0.000 0.824 9 L CB 0.512 42.595 42.059 0.040 0.000 1.175 9 L HN 0.324 nan 8.230 nan 0.000 0.503 10 P HA 0.200 nan 4.420 nan 0.000 0.274 10 P C -1.113 176.186 177.300 -0.001 0.000 1.231 10 P CA -0.291 62.813 63.100 0.007 0.000 0.790 10 P CB 0.305 32.002 31.700 -0.006 0.000 0.951 11 N N -0.381 118.317 118.700 -0.003 0.000 2.726 11 N HA -0.115 4.558 4.740 -0.111 0.000 0.253 11 N C 0.197 175.687 175.510 -0.034 0.000 1.059 11 N CA 1.006 54.042 53.050 -0.023 0.000 0.701 11 N CB -1.506 36.955 38.487 -0.043 0.000 0.899 11 N HN 0.252 nan 8.380 nan 0.000 0.548 12 V N -5.133 114.782 119.914 0.002 0.000 3.380 12 V HA 0.677 4.730 4.120 -0.111 0.000 0.277 12 V C 1.569 177.701 176.094 0.063 0.000 1.590 12 V CA 0.563 62.870 62.300 0.012 0.000 1.019 12 V CB 0.834 32.682 31.823 0.042 0.000 0.828 12 V HN 0.667 nan 8.190 nan 0.000 0.427 13 G N 1.297 110.136 108.800 0.064 0.000 2.179 13 G HA2 -0.301 3.592 3.960 -0.111 0.000 0.220 13 G HA3 -0.301 3.592 3.960 -0.111 0.000 0.220 13 G C 0.929 175.883 174.900 0.089 0.000 0.990 13 G CA 0.586 45.741 45.100 0.091 0.000 0.646 13 G HN 0.504 nan 8.290 nan 0.000 0.517 14 K N 0.855 121.309 120.400 0.091 0.000 2.127 14 K HA -0.125 4.128 4.320 -0.111 0.000 0.208 14 K C 2.506 179.176 176.600 0.116 0.000 1.047 14 K CA 2.123 58.475 56.287 0.110 0.000 0.927 14 K CB -0.284 32.281 32.500 0.108 0.000 0.716 14 K HN 0.401 nan 8.250 nan 0.000 0.450 15 S N -0.065 115.687 115.700 0.088 0.000 2.368 15 S HA -0.100 4.303 4.470 -0.111 0.000 0.224 15 S C 1.831 176.488 174.600 0.094 0.000 1.029 15 S CA 1.756 60.009 58.200 0.089 0.000 0.988 15 S CB -0.315 62.918 63.200 0.056 0.000 0.838 15 S HN 0.476 nan 8.310 nan 0.000 0.462 16 T N 2.915 117.512 114.554 0.072 0.000 2.746 16 T HA -0.037 4.246 4.350 -0.111 0.000 0.267 16 T C 1.718 176.439 174.700 0.035 0.000 1.039 16 T CA 0.846 62.976 62.100 0.051 0.000 1.142 16 T CB -0.497 68.398 68.868 0.046 0.000 0.866 16 T HN 0.100 nan 8.240 nan 0.000 0.444 17 L N 0.828 122.076 121.223 0.041 0.000 1.944 17 L HA -0.024 4.249 4.340 -0.111 0.000 0.218 17 L C 2.109 178.952 176.870 -0.045 0.000 1.075 17 L CA 1.707 56.543 54.840 -0.008 0.000 0.767 17 L CB -1.311 40.756 42.059 0.014 0.000 0.890 17 L HN 0.237 nan 8.230 nan 0.000 0.434 18 F N 0.284 120.206 119.950 -0.048 0.000 2.161 18 F HA -0.272 4.182 4.527 -0.121 0.000 0.300 18 F C 2.498 178.272 175.800 -0.044 0.000 1.089 18 F CA 1.813 59.782 58.000 -0.052 0.000 1.282 18 F CB -0.331 38.656 39.000 -0.022 0.000 1.010 18 F HN 0.316 nan 8.300 nan 0.000 0.485 19 N N 0.261 119.039 118.700 0.131 0.000 2.120 19 N HA -0.186 4.487 4.740 -0.111 0.000 0.188 19 N C 1.972 177.468 175.510 -0.022 0.000 1.024 19 N CA 1.321 54.420 53.050 0.082 0.000 0.852 19 N CB -0.367 38.166 38.487 0.077 0.000 1.003 19 N HN 0.405 nan 8.380 nan 0.000 0.424 20 A N 1.633 124.412 122.820 -0.069 0.000 1.855 20 A HA -0.079 4.174 4.320 -0.111 0.000 0.215 20 A C 2.358 179.850 177.584 -0.153 0.000 1.191 20 A CA 0.762 52.743 52.037 -0.093 0.000 0.613 20 A CB -0.953 17.989 19.000 -0.096 0.000 0.829 20 A HN 0.285 nan 8.150 nan 0.000 0.442 21 L N 0.188 121.255 121.223 -0.260 0.000 2.034 21 L HA -0.310 3.964 4.340 -0.111 0.000 0.217 21 L C 2.896 179.597 176.870 -0.282 0.000 1.077 21 L CA 2.767 57.392 54.840 -0.359 0.000 0.769 21 L CB -0.521 41.139 42.059 -0.664 0.000 0.890 21 L HN 0.666 nan 8.230 nan 0.000 0.435 22 T N -3.018 111.382 114.554 -0.257 0.000 2.701 22 T HA -0.246 4.037 4.350 -0.111 0.000 0.263 22 T C 1.887 176.548 174.700 -0.065 0.000 1.040 22 T CA 0.996 63.030 62.100 -0.110 0.000 1.147 22 T CB -0.496 68.389 68.868 0.027 0.000 0.865 22 T HN 0.195 nan 8.240 nan 0.000 0.426 23 R N 2.434 122.901 120.500 -0.055 0.000 2.119 23 R HA -0.057 4.216 4.340 -0.111 0.000 0.246 23 R C 2.440 178.713 176.300 -0.045 0.000 1.146 23 R CA 1.911 57.989 56.100 -0.037 0.000 0.962 23 R CB -1.217 29.062 30.300 -0.034 0.000 0.863 23 R HN 0.536 nan 8.270 nan 0.000 0.442 24 A N 0.097 122.877 122.820 -0.067 0.000 1.832 24 A HA -0.172 4.081 4.320 -0.111 0.000 0.214 24 A C 1.945 179.497 177.584 -0.053 0.000 1.200 24 A CA 1.800 53.800 52.037 -0.062 0.000 0.610 24 A CB -0.937 18.014 19.000 -0.081 0.000 0.842 24 A HN 0.626 nan 8.150 nan 0.000 0.444 25 N N 0.248 118.909 118.700 -0.066 0.000 2.069 25 N HA -0.237 4.436 4.740 -0.111 0.000 0.196 25 N C 1.920 177.408 175.510 -0.037 0.000 1.024 25 N CA 1.574 54.591 53.050 -0.056 0.000 0.869 25 N CB -0.317 38.132 38.487 -0.063 0.000 1.035 25 N HN 0.535 nan 8.380 nan 0.000 0.434 26 A N 1.174 123.974 122.820 -0.032 0.000 1.873 26 A HA -0.104 4.149 4.320 -0.111 0.000 0.218 26 A C 1.237 178.812 177.584 -0.016 0.000 1.193 26 A CA 1.152 53.178 52.037 -0.018 0.000 0.629 26 A CB -0.727 18.265 19.000 -0.013 0.000 0.826 26 A HN 0.231 nan 8.150 nan 0.000 0.447 27 L N 0.234 121.445 121.223 -0.019 0.000 2.391 27 L HA 0.478 4.751 4.340 -0.111 0.000 0.249 27 L C 0.055 176.915 176.870 -0.016 0.000 1.308 27 L CA 0.081 54.912 54.840 -0.015 0.000 1.209 27 L CB -0.482 41.567 42.059 -0.017 0.000 1.401 27 L HN 0.436 nan 8.230 nan 0.000 0.416 28 A N 1.230 124.042 122.820 -0.014 0.000 2.573 28 A HA 0.713 4.966 4.320 -0.111 0.000 0.299 28 A C 0.115 177.693 177.584 -0.009 0.000 1.060 28 A CA -0.196 51.834 52.037 -0.013 0.000 0.736 28 A CB 0.631 19.620 19.000 -0.019 0.000 1.280 28 A HN 0.484 nan 8.150 nan 0.000 0.401 36 I N 3.321 123.899 120.570 0.012 0.000 2.311 36 I HA 0.191 4.294 4.170 -0.111 0.000 0.297 36 I C -0.279 175.851 176.117 0.022 0.000 1.131 36 I CA 0.054 61.365 61.300 0.018 0.000 1.289 36 I CB 0.022 38.033 38.000 0.017 0.000 1.446 36 I HN 0.484 nan 8.210 nan 0.000 0.524 37 D N 7.918 128.336 120.400 0.030 0.000 2.563 37 D HA 0.063 4.636 4.640 -0.111 0.000 0.222 37 D C 1.175 177.512 176.300 0.062 0.000 1.145 37 D CA -0.126 53.894 54.000 0.034 0.000 1.001 37 D CB 0.648 41.469 40.800 0.035 0.000 1.049 37 D HN 0.561 nan 8.370 nan 0.000 0.515 38 K N 0.865 121.292 120.400 0.045 0.000 2.207 38 K HA -0.200 4.053 4.320 -0.111 0.000 0.208 38 K C 0.858 177.504 176.600 0.077 0.000 1.046 38 K CA 1.040 57.364 56.287 0.062 0.000 0.929 38 K CB 0.097 32.604 32.500 0.011 0.000 0.720 38 K HN 0.316 nan 8.250 nan 0.000 0.463 39 N N 0.307 118.998 118.700 -0.015 0.000 2.236 39 N HA 0.042 4.716 4.740 -0.111 0.000 0.196 39 N C -0.496 175.016 175.510 0.004 0.000 1.114 39 N CA 0.216 53.132 53.050 -0.222 0.000 0.859 39 N CB 1.010 39.329 38.487 -0.281 0.000 0.982 39 N HN -0.087 nan 8.380 nan 0.000 0.493 40 V N 0.571 120.622 119.914 0.228 0.000 2.409 40 V HA 0.758 4.811 4.120 -0.111 0.000 0.291 40 V C 0.377 176.641 176.094 0.283 0.000 1.020 40 V CA -0.832 61.640 62.300 0.287 0.000 0.848 40 V CB 1.501 33.399 31.823 0.124 0.000 0.990 40 V HN 0.131 nan 8.190 nan 0.000 0.430 41 G N 2.672 111.632 108.800 0.267 0.000 2.642 41 G HA2 0.767 4.660 3.960 -0.111 0.000 0.293 41 G HA3 0.767 4.660 3.960 -0.111 0.000 0.293 41 G C -1.269 173.648 174.900 0.029 0.000 1.341 41 G CA -0.678 44.440 45.100 0.030 0.000 0.916 41 G HN 0.948 nan 8.290 nan 0.000 0.474 42 V N -1.054 118.832 119.914 -0.048 0.000 2.482 42 V HA 0.588 4.641 4.120 -0.111 0.000 0.295 42 V C -0.251 175.843 176.094 0.001 0.000 1.026 42 V CA -1.056 61.220 62.300 -0.040 0.000 0.856 42 V CB 1.199 32.832 31.823 -0.317 0.000 1.001 42 V HN 0.555 nan 8.190 nan 0.000 0.424 43 V N 6.325 126.315 119.914 0.127 0.000 2.387 43 V HA 0.268 4.322 4.120 -0.111 0.000 0.260 43 V C -2.001 174.156 176.094 0.104 0.000 1.054 43 V CA -1.287 61.057 62.300 0.074 0.000 0.967 43 V CB 0.767 32.652 31.823 0.103 0.000 1.036 43 V HN 0.751 nan 8.190 nan 0.000 0.481 44 P HA 0.105 nan 4.420 nan 0.000 0.265 44 P C -0.164 177.146 177.300 0.017 0.000 1.193 44 P CA 0.091 63.227 63.100 0.060 0.000 0.765 44 P CB 0.530 32.247 31.700 0.027 0.000 0.823 45 L N 3.848 125.057 121.223 -0.023 0.000 2.350 45 L HA 0.187 4.460 4.340 -0.111 0.000 0.275 45 L C 0.850 177.673 176.870 -0.078 0.000 1.099 45 L CA -0.359 54.428 54.840 -0.088 0.000 0.808 45 L CB 0.626 42.560 42.059 -0.209 0.000 1.149 45 L HN 0.356 nan 8.230 nan 0.000 0.442 46 E N 3.057 123.219 120.200 -0.064 0.000 2.229 46 E HA 0.145 4.429 4.350 -0.111 0.000 0.283 46 E C -1.028 175.541 176.600 -0.052 0.000 1.030 46 E CA -0.316 56.071 56.400 -0.022 0.000 0.836 46 E CB 1.587 31.284 29.700 -0.005 0.000 1.068 46 E HN 0.331 nan 8.360 nan 0.000 0.401 47 D N 3.017 123.402 120.400 -0.026 0.000 2.358 47 D HA 0.038 4.611 4.640 -0.111 0.000 0.253 47 D C 0.577 176.844 176.300 -0.054 0.000 1.288 47 D CA -0.318 53.641 54.000 -0.070 0.000 0.950 47 D CB 0.882 41.641 40.800 -0.069 0.000 1.197 47 D HN 0.249 nan 8.370 nan 0.000 0.550 48 E N 2.026 122.205 120.200 -0.036 0.000 2.136 48 E HA -0.231 4.052 4.350 -0.111 0.000 0.202 48 E C 1.629 178.163 176.600 -0.109 0.000 1.019 48 E CA 1.155 57.562 56.400 0.011 0.000 0.819 48 E CB 0.153 29.831 29.700 -0.036 0.000 0.739 48 E HN 0.552 nan 8.360 nan 0.000 0.458 49 R N 0.142 120.415 120.500 -0.378 0.000 2.103 49 R HA -0.097 4.176 4.340 -0.111 0.000 0.242 49 R C 2.661 178.680 176.300 -0.468 0.000 1.142 49 R CA 0.972 56.672 56.100 -0.668 0.000 0.960 49 R CB -0.472 29.152 30.300 -1.126 0.000 0.858 49 R HN 0.204 nan 8.270 nan 0.000 0.439 50 L N -0.347 120.629 121.223 -0.411 0.000 2.137 50 L HA -0.266 4.007 4.340 -0.111 0.000 0.213 50 L C 1.890 178.444 176.870 -0.526 0.000 1.085 50 L CA 1.607 56.155 54.840 -0.488 0.000 0.760 50 L CB -0.329 41.425 42.059 -0.509 0.000 0.893 50 L HN 0.272 nan 8.230 nan 0.000 0.434 51 Y N -1.335 118.915 120.300 -0.084 0.000 2.347 51 Y HA 0.029 4.511 4.550 -0.113 0.000 0.294 51 Y C 2.521 178.420 175.900 -0.002 0.000 1.117 51 Y CA 0.598 58.680 58.100 -0.030 0.000 1.184 51 Y CB -0.682 37.763 38.460 -0.025 0.000 1.047 51 Y HN 0.065 nan 8.280 nan 0.000 0.546 52 A N 0.587 123.471 122.820 0.108 0.000 1.873 52 A HA -0.218 4.035 4.320 -0.111 0.000 0.218 52 A C 2.196 179.838 177.584 0.096 0.000 1.193 52 A CA 1.917 54.029 52.037 0.126 0.000 0.629 52 A CB -1.229 17.896 19.000 0.209 0.000 0.826 52 A HN 0.469 nan 8.150 nan 0.000 0.447 53 L N -0.819 120.430 121.223 0.044 0.000 2.079 53 L HA -0.273 4.000 4.340 -0.111 0.000 0.210 53 L C 2.903 179.895 176.870 0.202 0.000 1.081 53 L CA 1.853 56.755 54.840 0.104 0.000 0.752 53 L CB -0.422 41.601 42.059 -0.060 0.000 0.896 53 L HN 0.619 nan 8.230 nan 0.000 0.433 54 Q N -0.094 119.762 119.800 0.094 0.000 2.084 54 Q HA -0.252 4.022 4.340 -0.111 0.000 0.202 54 Q C 2.420 178.509 176.000 0.148 0.000 0.978 54 Q CA 1.436 57.318 55.803 0.131 0.000 0.844 54 Q CB 0.018 28.812 28.738 0.094 0.000 0.898 54 Q HN 0.358 nan 8.270 nan 0.000 0.426 55 R N -0.394 120.169 120.500 0.104 0.000 2.070 55 R HA -0.104 4.169 4.340 -0.111 0.000 0.232 55 R C 2.053 178.343 176.300 -0.015 0.000 1.138 55 R CA 1.892 58.024 56.100 0.054 0.000 0.936 55 R CB -0.622 29.703 30.300 0.042 0.000 0.839 55 R HN 0.256 nan 8.270 nan 0.000 0.429 56 T N 0.316 114.819 114.554 -0.086 0.000 2.883 56 T HA -0.195 4.088 4.350 -0.111 0.000 0.266 56 T C 0.589 174.843 174.700 -0.743 0.000 1.103 56 T CA 1.492 63.364 62.100 -0.379 0.000 1.125 56 T CB -0.215 68.391 68.868 -0.437 0.000 0.819 56 T HN 0.237 nan 8.240 nan 0.000 0.536 57 F N -0.275 119.682 119.950 0.012 0.000 2.775 57 F HA 0.515 4.975 4.527 -0.111 0.000 0.313 57 F C 0.740 176.564 175.800 0.039 0.000 1.121 57 F CA -1.007 57.013 58.000 0.033 0.000 1.206 57 F CB 0.365 39.396 39.000 0.053 0.000 1.052 57 F HN -0.057 nan 8.300 nan 0.000 0.524 58 A N 1.167 124.047 122.820 0.099 0.000 2.347 58 A HA 0.384 4.638 4.320 -0.111 0.000 0.287 58 A C 0.246 177.863 177.584 0.054 0.000 1.199 58 A CA -0.323 51.766 52.037 0.086 0.000 0.851 58 A CB 0.124 19.160 19.000 0.060 0.000 1.118 58 A HN 0.186 nan 8.150 nan 0.000 0.525 59 K N 3.013 123.456 120.400 0.071 0.000 2.206 59 K HA 0.499 4.752 4.320 -0.111 0.000 0.268 59 K C 0.878 177.502 176.600 0.040 0.000 1.111 59 K CA 1.138 57.457 56.287 0.053 0.000 0.955 59 K CB -0.329 32.213 32.500 0.071 0.000 1.406 59 K HN 1.443 nan 8.250 nan 0.000 0.427 60 G N 2.478 111.293 108.800 0.026 0.000 2.601 60 G HA2 -0.251 3.642 3.960 -0.111 0.000 0.224 60 G HA3 -0.251 3.642 3.960 -0.111 0.000 0.224 60 G C 0.303 175.216 174.900 0.023 0.000 1.171 60 G CA 0.050 45.164 45.100 0.022 0.000 1.009 60 G HN 0.514 nan 8.290 nan 0.000 0.589 61 E N 0.022 120.237 120.200 0.025 0.000 2.490 61 E HA 0.217 4.500 4.350 -0.111 0.000 0.209 61 E C 0.612 177.232 176.600 0.033 0.000 0.971 61 E CA -0.367 56.048 56.400 0.026 0.000 0.988 61 E CB 0.232 29.944 29.700 0.019 0.000 1.029 61 E HN 0.311 nan 8.360 nan 0.000 0.496 62 R N 0.708 121.230 120.500 0.038 0.000 2.441 62 R HA 0.339 4.612 4.340 -0.111 0.000 0.284 62 R C -0.298 176.036 176.300 0.057 0.000 1.070 62 R CA -0.365 55.762 56.100 0.044 0.000 1.047 62 R CB 1.154 31.480 30.300 0.043 0.000 1.016 62 R HN -0.023 nan 8.270 nan 0.000 0.477 63 V N 3.413 123.365 119.914 0.064 0.000 3.126 63 V HA 0.676 4.729 4.120 -0.111 0.000 0.314 63 V C -2.159 173.987 176.094 0.085 0.000 1.138 63 V CA -2.100 60.250 62.300 0.082 0.000 1.034 63 V CB 2.714 34.589 31.823 0.087 0.000 1.075 63 V HN 0.743 nan 8.190 nan 0.000 0.442 64 P HA 0.580 nan 4.420 nan 0.000 0.287 64 P C -3.050 174.289 177.300 0.065 0.000 1.290 64 P CA -2.359 60.791 63.100 0.083 0.000 0.889 64 P CB 1.131 32.889 31.700 0.095 0.000 1.190 65 P HA 0.103 nan 4.420 nan 0.000 0.271 65 P C -0.535 176.765 177.300 -0.001 0.000 1.218 65 P CA -0.089 63.030 63.100 0.032 0.000 0.780 65 P CB 0.303 32.020 31.700 0.028 0.000 0.901 66 V N 0.799 120.693 119.914 -0.032 0.000 2.495 66 V HA 0.571 4.624 4.120 -0.111 0.000 0.298 66 V C -0.711 175.321 176.094 -0.103 0.000 1.031 66 V CA -0.836 61.395 62.300 -0.114 0.000 0.871 66 V CB 1.952 33.604 31.823 -0.286 0.000 0.988 66 V HN 0.177 nan 8.190 nan 0.000 0.432 67 V N 7.807 127.645 119.914 -0.126 0.000 2.334 67 V HA 0.497 4.550 4.120 -0.111 0.000 0.281 67 V C -1.773 174.208 176.094 -0.188 0.000 1.016 67 V CA -1.230 60.984 62.300 -0.142 0.000 0.832 67 V CB 1.250 32.959 31.823 -0.190 0.000 0.999 67 V HN 0.921 nan 8.190 nan 0.000 0.439 68 P HA 0.273 nan 4.420 nan 0.000 0.282 68 P C -0.131 177.032 177.300 -0.227 0.000 1.287 68 P CA -0.123 62.877 63.100 -0.167 0.000 0.792 68 P CB 1.192 32.834 31.700 -0.098 0.000 1.163 69 T N -1.415 112.976 114.554 -0.273 0.000 2.923 69 T HA 0.469 4.752 4.350 -0.111 0.000 0.281 69 T C -0.209 174.329 174.700 -0.270 0.000 0.995 69 T CA -0.406 61.460 62.100 -0.391 0.000 0.985 69 T CB 0.285 68.932 68.868 -0.368 0.000 1.114 69 T HN 0.653 nan 8.240 nan 0.000 0.548 70 H N -1.432 117.600 119.070 -0.062 0.000 2.943 70 H HA 0.695 5.177 4.556 -0.122 0.000 0.323 70 H C -1.726 173.626 175.328 0.040 0.000 1.296 70 H CA -0.958 55.080 56.048 -0.015 0.000 1.155 70 H CB 0.951 30.707 29.762 -0.011 0.000 1.882 70 H HN 0.444 nan 8.280 nan 0.000 0.553 71 V N 0.709 120.789 119.914 0.278 0.000 2.487 71 V HA 0.179 4.232 4.120 -0.111 0.000 0.298 71 V C 0.152 176.299 176.094 0.089 0.000 1.028 71 V CA -0.744 61.640 62.300 0.141 0.000 0.860 71 V CB 1.530 33.410 31.823 0.095 0.000 0.991 71 V HN 0.763 nan 8.190 nan 0.000 0.427 72 E N 3.169 123.365 120.200 -0.007 0.000 2.313 72 E HA 0.498 4.782 4.350 -0.111 0.000 0.276 72 E C -1.610 174.885 176.600 -0.175 0.000 1.031 72 E CA -0.300 56.095 56.400 -0.008 0.000 0.857 72 E CB 0.782 30.492 29.700 0.017 0.000 1.040 72 E HN 0.523 nan 8.360 nan 0.000 0.408 73 F N 2.926 122.919 119.950 0.072 0.000 2.532 73 F HA 0.462 4.998 4.527 0.015 0.000 0.321 73 F C -0.333 175.632 175.800 0.275 0.000 1.089 73 F CA -0.741 57.339 58.000 0.132 0.000 0.926 73 F CB 1.893 40.925 39.000 0.054 0.000 1.168 73 F HN 0.183 nan 8.300 nan 0.000 0.459 74 V N 1.959 122.127 119.914 0.423 0.000 2.823 74 V HA 0.299 4.352 4.120 -0.111 0.000 0.312 74 V C -1.183 174.977 176.094 0.111 0.000 1.072 74 V CA -0.739 61.716 62.300 0.258 0.000 0.937 74 V CB 2.211 34.087 31.823 0.087 0.000 1.013 74 V HN 0.628 nan 8.190 nan 0.000 0.430 75 D N 4.334 124.547 120.400 -0.311 0.000 2.441 75 D HA 0.203 4.777 4.640 -0.111 0.000 0.221 75 D C 1.099 177.183 176.300 -0.360 0.000 1.156 75 D CA -0.298 53.380 54.000 -0.536 0.000 0.896 75 D CB 0.743 40.913 40.800 -1.051 0.000 1.028 75 D HN 0.249 nan 8.370 nan 0.000 0.509 76 I N 3.213 123.617 120.570 -0.277 0.000 2.087 76 I HA -0.317 3.786 4.170 -0.111 0.000 0.240 76 I C 2.270 178.001 176.117 -0.644 0.000 1.054 76 I CA 1.376 62.412 61.300 -0.440 0.000 1.311 76 I CB -1.474 36.270 38.000 -0.427 0.000 1.024 76 I HN 0.479 nan 8.210 nan 0.000 0.402 77 A N 0.707 123.250 122.820 -0.463 0.000 1.851 77 A HA -0.170 4.083 4.320 -0.111 0.000 0.216 77 A C 2.543 179.976 177.584 -0.250 0.000 1.195 77 A CA 2.372 54.260 52.037 -0.248 0.000 0.622 77 A CB -1.584 17.503 19.000 0.146 0.000 0.831 77 A HN 0.458 nan 8.150 nan 0.000 0.444 78 G N -0.296 108.353 108.800 -0.251 0.000 2.606 78 G HA2 -0.319 3.574 3.960 -0.111 0.000 0.221 78 G HA3 -0.319 3.574 3.960 -0.111 0.000 0.221 78 G C 1.474 176.221 174.900 -0.254 0.000 1.152 78 G CA 1.594 46.548 45.100 -0.243 0.000 0.765 78 G HN 0.426 nan 8.290 nan 0.000 0.595 79 L N 0.410 121.432 121.223 -0.336 0.000 2.046 79 L HA -0.021 4.252 4.340 -0.111 0.000 0.208 79 L C 3.143 179.766 176.870 -0.413 0.000 1.077 79 L CA 1.227 55.858 54.840 -0.348 0.000 0.747 79 L CB -0.564 41.242 42.059 -0.422 0.000 0.896 79 L HN 0.141 nan 8.230 nan 0.000 0.432 80 V N -0.696 118.892 119.914 -0.543 0.000 2.295 80 V HA -0.293 3.760 4.120 -0.111 0.000 0.246 80 V C 2.358 178.376 176.094 -0.128 0.000 1.049 80 V CA 1.646 63.742 62.300 -0.339 0.000 1.024 80 V CB -0.614 31.057 31.823 -0.253 0.000 0.648 80 V HN 0.423 nan 8.190 nan 0.000 0.447 81 K N -0.004 120.327 120.400 -0.116 0.000 1.992 81 K HA -0.031 4.223 4.320 -0.111 0.000 0.225 81 K C 2.081 178.548 176.600 -0.222 0.000 1.020 81 K CA 1.248 57.459 56.287 -0.127 0.000 1.042 81 K CB -1.248 31.191 32.500 -0.101 0.000 0.772 81 K HN 0.399 nan 8.250 nan 0.000 0.444 82 G N 1.485 110.164 108.800 -0.203 0.000 3.572 82 G HA2 -0.433 3.460 3.960 -0.111 0.000 0.316 82 G HA3 -0.433 3.460 3.960 -0.111 0.000 0.316 82 G C 0.708 175.466 174.900 -0.237 0.000 1.312 82 G CA 1.852 46.837 45.100 -0.192 0.000 1.364 82 G HN 0.740 nan 8.290 nan 0.000 1.234 83 A N -0.782 121.946 122.820 -0.153 0.000 2.407 83 A HA 0.425 4.678 4.320 -0.111 0.000 0.257 83 A C 0.369 177.861 177.584 -0.152 0.000 1.131 83 A CA 0.754 52.741 52.037 -0.084 0.000 0.803 83 A CB 0.019 19.016 19.000 -0.006 0.000 1.083 83 A HN 0.734 nan 8.150 nan 0.000 0.512 84 H N 0.207 119.288 119.070 0.019 0.000 2.866 84 H HA 0.526 5.017 4.556 -0.110 0.000 0.287 84 H C -0.188 175.152 175.328 0.020 0.000 1.106 84 H CA -0.328 55.730 56.048 0.017 0.000 1.396 84 H CB 0.987 30.756 29.762 0.011 0.000 1.469 84 H HN 0.713 nan 8.280 nan 0.000 0.500 85 K N 0.552 121.131 120.400 0.299 0.000 1.995 85 K HA 0.710 4.963 4.320 -0.111 0.000 0.244 85 K C 0.799 177.510 176.600 0.185 0.000 1.045 85 K CA 0.055 56.447 56.287 0.175 0.000 0.905 85 K CB 1.345 33.914 32.500 0.114 0.000 1.543 85 K HN 0.509 nan 8.250 nan 0.000 0.609 86 G N -0.629 108.234 108.800 0.105 0.000 4.187 86 G HA2 0.015 3.908 3.960 -0.111 0.000 0.174 86 G HA3 0.015 3.908 3.960 -0.111 0.000 0.174 86 G C -1.093 173.835 174.900 0.046 0.000 0.947 86 G CA -0.381 44.764 45.100 0.075 0.000 0.940 86 G HN 0.380 nan 8.290 nan 0.000 0.410 87 E N 0.919 121.145 120.200 0.044 0.000 2.290 87 E HA 0.477 4.760 4.350 -0.111 0.000 0.277 87 E C 0.887 177.511 176.600 0.040 0.000 1.035 87 E CA 0.533 56.952 56.400 0.032 0.000 0.873 87 E CB 0.863 30.579 29.700 0.027 0.000 1.029 87 E HN 1.125 nan 8.360 nan 0.000 0.419 88 G N 2.971 111.789 108.800 0.030 0.000 2.314 88 G HA2 -0.299 3.594 3.960 -0.111 0.000 0.292 88 G HA3 -0.299 3.594 3.960 -0.111 0.000 0.292 88 G C 0.505 175.441 174.900 0.062 0.000 1.059 88 G CA 0.315 45.438 45.100 0.038 0.000 0.982 88 G HN 0.566 nan 8.290 nan 0.000 0.505 89 L N -0.232 121.019 121.223 0.046 0.000 2.093 89 L HA 0.037 4.310 4.340 -0.111 0.000 0.208 89 L C 3.070 179.986 176.870 0.077 0.000 1.085 89 L CA 1.857 56.740 54.840 0.072 0.000 0.755 89 L CB -0.398 41.657 42.059 -0.008 0.000 0.904 89 L HN 0.475 nan 8.230 nan 0.000 0.435 90 G N -0.393 108.404 108.800 -0.005 0.000 2.440 90 G HA2 -0.280 3.613 3.960 -0.111 0.000 0.218 90 G HA3 -0.280 3.613 3.960 -0.111 0.000 0.218 90 G C 1.410 176.377 174.900 0.111 0.000 1.154 90 G CA 0.774 45.870 45.100 -0.007 0.000 0.767 90 G HN 0.318 nan 8.290 nan 0.000 0.552 91 N N 0.422 119.182 118.700 0.101 0.000 2.300 91 N HA -0.037 4.636 4.740 -0.111 0.000 0.179 91 N C 2.461 178.061 175.510 0.150 0.000 1.016 91 N CA 0.763 53.878 53.050 0.108 0.000 0.876 91 N CB -0.242 38.287 38.487 0.069 0.000 0.979 91 N HN 0.519 nan 8.380 nan 0.000 0.432 92 Q N -0.442 119.472 119.800 0.189 0.000 2.124 92 Q HA -0.087 4.186 4.340 -0.111 0.000 0.202 92 Q C 1.469 177.644 176.000 0.292 0.000 0.977 92 Q CA 0.920 56.861 55.803 0.230 0.000 0.850 92 Q CB -0.210 28.660 28.738 0.220 0.000 0.901 92 Q HN 0.234 nan 8.270 nan 0.000 0.429 93 F N 1.343 121.332 119.950 0.066 0.000 2.010 93 F HA -0.219 4.244 4.527 -0.107 0.000 0.296 93 F C 2.210 178.057 175.800 0.077 0.000 1.146 93 F CA 1.211 59.233 58.000 0.038 0.000 1.181 93 F CB -0.765 38.230 39.000 -0.008 0.000 0.965 93 F HN -0.010 nan 8.300 nan 0.000 0.480 94 L N -0.488 120.876 121.223 0.235 0.000 2.151 94 L HA -0.334 3.939 4.340 -0.111 0.000 0.215 94 L C 2.535 179.453 176.870 0.080 0.000 1.084 94 L CA 1.245 56.163 54.840 0.129 0.000 0.764 94 L CB -1.228 40.894 42.059 0.104 0.000 0.891 94 L HN 0.235 nan 8.230 nan 0.000 0.435 95 A N -0.674 122.198 122.820 0.087 0.000 1.898 95 A HA -0.213 4.040 4.320 -0.111 0.000 0.216 95 A C 1.884 179.429 177.584 -0.066 0.000 1.181 95 A CA 1.691 53.727 52.037 -0.003 0.000 0.620 95 A CB -0.565 18.414 19.000 -0.035 0.000 0.819 95 A HN 0.439 nan 8.150 nan 0.000 0.442 96 H N -0.555 118.467 119.070 -0.080 0.000 2.329 96 H HA 0.150 4.636 4.556 -0.116 0.000 0.306 96 H C 1.882 177.154 175.328 -0.093 0.000 1.062 96 H CA 1.228 57.211 56.048 -0.109 0.000 1.364 96 H CB -0.167 29.484 29.762 -0.185 0.000 1.409 96 H HN 0.279 nan 8.280 nan 0.000 0.519 97 I N 0.865 121.462 120.570 0.044 0.000 2.479 97 I HA -0.320 3.783 4.170 -0.111 0.000 0.258 97 I C 2.051 178.176 176.117 0.012 0.000 1.165 97 I CA 1.389 62.697 61.300 0.014 0.000 1.422 97 I CB -0.409 37.608 38.000 0.028 0.000 1.087 97 I HN 0.306 nan 8.210 nan 0.000 0.441 98 R N 0.554 121.057 120.500 0.005 0.000 2.127 98 R HA -0.063 4.210 4.340 -0.111 0.000 0.217 98 R C 1.752 178.035 176.300 -0.029 0.000 1.074 98 R CA 0.551 56.643 56.100 -0.013 0.000 0.991 98 R CB 0.057 30.345 30.300 -0.020 0.000 0.895 98 R HN 0.366 nan 8.270 nan 0.000 0.450 99 E N 0.536 120.713 120.200 -0.038 0.000 2.516 99 E HA -0.051 4.233 4.350 -0.111 0.000 0.199 99 E C -0.158 176.423 176.600 -0.031 0.000 1.069 99 E CA 0.272 56.644 56.400 -0.046 0.000 0.876 99 E CB 0.422 30.081 29.700 -0.067 0.000 0.843 99 E HN 0.096 nan 8.360 nan 0.000 0.530 100 V N -4.189 115.711 119.914 -0.022 0.000 2.769 100 V HA 0.593 4.647 4.120 -0.111 0.000 0.312 100 V C 0.766 176.842 176.094 -0.031 0.000 1.061 100 V CA -0.460 61.825 62.300 -0.025 0.000 0.931 100 V CB 1.653 33.469 31.823 -0.011 0.000 1.010 100 V HN -0.090 nan 8.190 nan 0.000 0.433 101 A N 2.566 125.358 122.820 -0.046 0.000 1.969 101 A HA 0.668 4.922 4.320 -0.111 0.000 0.218 101 A C 1.233 178.794 177.584 -0.038 0.000 1.169 101 A CA 1.452 53.458 52.037 -0.050 0.000 0.635 101 A CB -0.349 18.608 19.000 -0.072 0.000 0.810 101 A HN 2.087 nan 8.150 nan 0.000 0.445 102 A N -1.526 121.274 122.820 -0.034 0.000 2.587 102 A HA 0.702 4.955 4.320 -0.111 0.000 0.293 102 A C -1.163 176.434 177.584 0.022 0.000 1.087 102 A CA -0.501 51.531 52.037 -0.009 0.000 0.692 102 A CB 0.805 19.794 19.000 -0.018 0.000 1.291 102 A HN 0.201 nan 8.150 nan 0.000 0.407 103 I N 1.074 121.676 120.570 0.053 0.000 2.406 103 I HA 0.551 4.654 4.170 -0.111 0.000 0.290 103 I C 0.389 176.594 176.117 0.147 0.000 0.999 103 I CA -0.316 61.040 61.300 0.095 0.000 1.124 103 I CB 2.032 40.088 38.000 0.094 0.000 1.289 103 I HN 0.729 nan 8.210 nan 0.000 0.441 104 A N 5.961 128.896 122.820 0.191 0.000 2.412 104 A HA 0.330 4.583 4.320 -0.111 0.000 0.334 104 A C -0.653 177.103 177.584 0.286 0.000 1.419 104 A CA -0.313 51.873 52.037 0.248 0.000 0.930 104 A CB -0.209 18.974 19.000 0.305 0.000 1.149 104 A HN 0.843 nan 8.150 nan 0.000 0.515 105 H N 2.492 121.681 119.070 0.199 0.000 2.604 105 H HA 0.448 4.934 4.556 -0.117 0.000 0.306 105 H C -0.822 174.589 175.328 0.139 0.000 1.075 105 H CA -0.665 55.484 56.048 0.169 0.000 1.357 105 H CB 0.933 30.810 29.762 0.192 0.000 1.426 105 H HN 0.331 nan 8.280 nan 0.000 0.470 106 V N 7.980 128.116 119.914 0.371 0.000 2.427 106 V HA 0.059 4.112 4.120 -0.111 0.000 0.268 106 V C 0.193 176.325 176.094 0.065 0.000 1.046 106 V CA -0.147 62.262 62.300 0.181 0.000 0.970 106 V CB 0.455 32.377 31.823 0.165 0.000 1.001 106 V HN 0.609 nan 8.190 nan 0.000 0.476 107 L N 6.292 127.484 121.223 -0.052 0.000 2.307 107 L HA 0.609 4.882 4.340 -0.111 0.000 0.284 107 L C 0.412 177.274 176.870 -0.013 0.000 1.023 107 L CA -0.736 54.030 54.840 -0.123 0.000 0.810 107 L CB 1.656 43.562 42.059 -0.255 0.000 1.231 107 L HN 0.713 nan 8.230 nan 0.000 0.423 108 R N 2.035 122.534 120.500 -0.002 0.000 2.390 108 R HA 0.324 4.597 4.340 -0.111 0.000 0.291 108 R C -0.461 175.875 176.300 0.060 0.000 1.070 108 R CA -0.375 55.757 56.100 0.053 0.000 1.014 108 R CB 1.103 31.378 30.300 -0.042 0.000 1.007 108 R HN 0.644 nan 8.270 nan 0.000 0.466 109 C N 4.812 124.233 119.300 0.201 0.000 3.098 109 C HA 0.370 4.763 4.460 -0.111 0.000 0.265 109 C C -1.156 173.990 174.990 0.261 0.000 1.572 109 C CA -0.681 58.433 59.018 0.161 0.000 1.788 109 C CB -1.435 26.369 27.740 0.106 0.000 2.982 109 C HN 0.809 nan 8.230 nan 0.000 0.532 110 F N -0.835 119.107 119.950 -0.013 0.000 2.831 110 F HA 0.615 5.074 4.527 -0.113 0.000 0.346 110 F C -2.907 172.889 175.800 -0.006 0.000 1.224 110 F CA -2.231 55.765 58.000 -0.007 0.000 1.048 110 F CB -0.269 38.729 39.000 -0.003 0.000 1.339 110 F HN -0.186 nan 8.300 nan 0.000 0.514 111 P HA 0.023 nan 4.420 nan 0.000 0.269 111 P C -0.841 176.305 177.300 -0.257 0.000 1.200 111 P CA 0.331 63.326 63.100 -0.175 0.000 0.779 111 P CB 0.613 32.277 31.700 -0.059 0.000 0.841 112 D N -0.269 119.993 120.400 -0.230 0.000 2.652 112 D HA 0.411 4.984 4.640 -0.111 0.000 0.285 112 D C -2.016 174.232 176.300 -0.087 0.000 1.173 112 D CA -1.116 52.777 54.000 -0.179 0.000 0.981 112 D CB -0.537 40.090 40.800 -0.289 0.000 1.440 112 D HN 0.111 nan 8.370 nan 0.000 0.485 124 P HA -0.123 nan 4.420 nan 0.000 0.218 124 P C 1.736 178.940 177.300 -0.160 0.000 1.148 124 P CA 0.312 63.343 63.100 -0.115 0.000 0.822 124 P CB 0.795 32.435 31.700 -0.099 0.000 0.784 125 L N 0.058 121.209 121.223 -0.119 0.000 2.141 125 L HA -0.081 4.192 4.340 -0.111 0.000 0.209 125 L C 2.633 179.441 176.870 -0.105 0.000 1.094 125 L CA 1.721 56.483 54.840 -0.130 0.000 0.763 125 L CB -1.035 40.978 42.059 -0.076 0.000 0.908 125 L HN -0.098 nan 8.230 nan 0.000 0.437 126 E N -0.691 119.468 120.200 -0.069 0.000 2.051 126 E HA -0.228 4.055 4.350 -0.111 0.000 0.192 126 E C 1.670 178.258 176.600 -0.020 0.000 0.991 126 E CA 1.361 57.737 56.400 -0.039 0.000 0.799 126 E CB 0.057 29.740 29.700 -0.028 0.000 0.748 126 E HN 0.482 nan 8.360 nan 0.000 0.449 127 D N 0.250 120.638 120.400 -0.020 0.000 2.123 127 D HA -0.170 4.403 4.640 -0.111 0.000 0.196 127 D C 1.796 178.178 176.300 0.137 0.000 0.992 127 D CA 1.301 55.342 54.000 0.067 0.000 0.833 127 D CB -0.406 40.450 40.800 0.093 0.000 0.954 127 D HN 0.211 nan 8.370 nan 0.000 0.455 128 A N 0.725 123.493 122.820 -0.087 0.000 1.948 128 A HA -0.276 3.978 4.320 -0.111 0.000 0.220 128 A C 2.114 179.715 177.584 0.030 0.000 1.177 128 A CA 1.879 53.818 52.037 -0.162 0.000 0.636 128 A CB -0.566 18.167 19.000 -0.445 0.000 0.815 128 A HN 0.264 nan 8.150 nan 0.000 0.449 129 E N -0.464 119.743 120.200 0.012 0.000 2.112 129 E HA -0.064 4.219 4.350 -0.111 0.000 0.190 129 E C 1.971 178.601 176.600 0.049 0.000 0.979 129 E CA 0.991 57.412 56.400 0.034 0.000 0.814 129 E CB -0.069 29.637 29.700 0.010 0.000 0.762 129 E HN 0.379 nan 8.360 nan 0.000 0.460 130 V N 0.880 120.824 119.914 0.049 0.000 2.214 130 V HA -0.302 3.751 4.120 -0.111 0.000 0.244 130 V C 2.493 178.612 176.094 0.040 0.000 1.045 130 V CA 1.809 64.129 62.300 0.034 0.000 0.993 130 V CB -0.740 31.098 31.823 0.025 0.000 0.633 130 V HN 0.171 nan 8.190 nan 0.000 0.449 131 V N 0.172 120.117 119.914 0.052 0.000 2.317 131 V HA -0.344 3.709 4.120 -0.111 0.000 0.251 131 V C 2.505 178.641 176.094 0.070 0.000 1.065 131 V CA 2.563 64.874 62.300 0.018 0.000 1.049 131 V CB -0.787 30.973 31.823 -0.104 0.000 0.651 131 V HN 0.736 nan 8.190 nan 0.000 0.450 132 E N 0.580 120.849 120.200 0.114 0.000 2.006 132 E HA -0.201 4.082 4.350 -0.111 0.000 0.192 132 E C 2.181 178.822 176.600 0.069 0.000 0.993 132 E CA 2.183 58.651 56.400 0.113 0.000 0.808 132 E CB -0.750 29.035 29.700 0.143 0.000 0.764 132 E HN 0.509 nan 8.360 nan 0.000 0.449 133 T N 0.858 115.443 114.554 0.051 0.000 2.751 133 T HA -0.242 4.041 4.350 -0.111 0.000 0.268 133 T C 1.531 176.246 174.700 0.026 0.000 1.045 133 T CA 1.769 63.887 62.100 0.029 0.000 1.142 133 T CB -0.347 68.531 68.868 0.018 0.000 0.851 133 T HN 0.321 nan 8.240 nan 0.000 0.474 134 E N 0.417 120.634 120.200 0.028 0.000 2.017 134 E HA -0.059 4.224 4.350 -0.111 0.000 0.193 134 E C 2.315 178.937 176.600 0.037 0.000 0.997 134 E CA 0.986 57.401 56.400 0.025 0.000 0.804 134 E CB -0.272 29.440 29.700 0.021 0.000 0.757 134 E HN 0.427 nan 8.360 nan 0.000 0.448 135 L N 0.845 122.097 121.223 0.048 0.000 2.012 135 L HA -0.235 4.039 4.340 -0.111 0.000 0.210 135 L C 2.653 179.550 176.870 0.046 0.000 1.073 135 L CA 0.950 55.822 54.840 0.054 0.000 0.748 135 L CB -0.531 41.566 42.059 0.064 0.000 0.891 135 L HN 0.223 nan 8.230 nan 0.000 0.431 136 L N -0.372 120.876 121.223 0.041 0.000 2.081 136 L HA -0.265 4.008 4.340 -0.111 0.000 0.212 136 L C 2.541 179.422 176.870 0.018 0.000 1.080 136 L CA 1.355 56.211 54.840 0.027 0.000 0.754 136 L CB -0.173 41.895 42.059 0.015 0.000 0.893 136 L HN 0.297 nan 8.230 nan 0.000 0.433 137 L N -1.250 119.986 121.223 0.021 0.000 2.044 137 L HA -0.136 4.137 4.340 -0.111 0.000 0.205 137 L C 2.790 179.681 176.870 0.035 0.000 1.075 137 L CA 1.030 55.882 54.840 0.021 0.000 0.747 137 L CB -0.655 41.415 42.059 0.018 0.000 0.903 137 L HN 0.206 nan 8.230 nan 0.000 0.435 138 A N -0.206 122.638 122.820 0.039 0.000 1.933 138 A HA -0.247 4.006 4.320 -0.111 0.000 0.218 138 A C 1.885 179.502 177.584 0.054 0.000 1.175 138 A CA 2.095 54.160 52.037 0.046 0.000 0.628 138 A CB -0.531 18.497 19.000 0.047 0.000 0.814 138 A HN 0.335 nan 8.150 nan 0.000 0.444 139 D N -0.137 120.296 120.400 0.055 0.000 2.097 139 D HA -0.088 4.485 4.640 -0.111 0.000 0.197 139 D C 1.935 178.291 176.300 0.093 0.000 0.984 139 D CA 0.847 54.887 54.000 0.068 0.000 0.826 139 D CB -0.297 40.540 40.800 0.063 0.000 0.973 139 D HN 0.410 nan 8.370 nan 0.000 0.460 140 L N 0.480 121.750 121.223 0.077 0.000 2.013 140 L HA -0.266 4.007 4.340 -0.111 0.000 0.212 140 L C 2.448 179.425 176.870 0.178 0.000 1.073 140 L CA 1.409 56.320 54.840 0.119 0.000 0.753 140 L CB -0.484 41.602 42.059 0.045 0.000 0.890 140 L HN 0.017 nan 8.230 nan 0.000 0.432 141 A N -0.489 122.398 122.820 0.111 0.000 1.841 141 A HA -0.277 3.976 4.320 -0.111 0.000 0.216 141 A C 2.297 179.939 177.584 0.097 0.000 1.199 141 A CA 2.641 54.734 52.037 0.094 0.000 0.621 141 A CB -1.238 17.799 19.000 0.062 0.000 0.835 141 A HN 0.402 nan 8.150 nan 0.000 0.445 142 T N 0.367 114.973 114.554 0.088 0.000 2.684 142 T HA -0.221 4.062 4.350 -0.111 0.000 0.267 142 T C 1.720 176.493 174.700 0.122 0.000 1.032 142 T CA 1.883 64.035 62.100 0.087 0.000 1.155 142 T CB -0.464 68.449 68.868 0.076 0.000 0.857 142 T HN 0.385 nan 8.240 nan 0.000 0.457 143 L N -0.171 121.157 121.223 0.174 0.000 2.102 143 L HA 0.050 4.323 4.340 -0.111 0.000 0.202 143 L C 2.668 179.544 176.870 0.010 0.000 1.076 143 L CA 1.010 55.953 54.840 0.171 0.000 0.761 143 L CB -0.512 41.750 42.059 0.339 0.000 0.921 143 L HN 0.214 nan 8.230 nan 0.000 0.444 144 E N 0.106 120.331 120.200 0.043 0.000 2.086 144 E HA -0.288 3.995 4.350 -0.111 0.000 0.200 144 E C 2.357 178.907 176.600 -0.085 0.000 1.012 144 E CA 1.421 57.752 56.400 -0.116 0.000 0.812 144 E CB -0.092 29.634 29.700 0.043 0.000 0.743 144 E HN 0.185 nan 8.360 nan 0.000 0.453 145 R N 0.631 121.126 120.500 -0.009 0.000 2.092 145 R HA -0.066 4.207 4.340 -0.111 0.000 0.231 145 R C 2.071 178.368 176.300 -0.005 0.000 1.119 145 R CA 0.960 57.057 56.100 -0.005 0.000 0.970 145 R CB -0.028 30.282 30.300 0.017 0.000 0.864 145 R HN 0.034 nan 8.270 nan 0.000 0.440 146 R N 0.754 121.267 120.500 0.021 0.000 2.066 146 R HA -0.023 4.250 4.340 -0.111 0.000 0.232 146 R C 2.413 178.709 176.300 -0.008 0.000 1.131 146 R CA 0.968 57.096 56.100 0.048 0.000 0.955 146 R CB -0.910 29.482 30.300 0.153 0.000 0.851 146 R HN 0.273 nan 8.270 nan 0.000 0.432 147 L N 0.854 122.031 121.223 -0.078 0.000 2.042 147 L HA -0.194 4.079 4.340 -0.111 0.000 0.210 147 L C 2.616 179.423 176.870 -0.104 0.000 1.076 147 L CA 1.297 56.054 54.840 -0.139 0.000 0.749 147 L CB -0.479 41.423 42.059 -0.262 0.000 0.893 147 L HN 0.196 nan 8.230 nan 0.000 0.432 148 E N 0.566 120.712 120.200 -0.090 0.000 2.048 148 E HA -0.298 3.985 4.350 -0.111 0.000 0.202 148 E C 2.260 178.833 176.600 -0.045 0.000 1.021 148 E CA 1.798 58.159 56.400 -0.065 0.000 0.825 148 E CB -0.032 29.640 29.700 -0.046 0.000 0.756 148 E HN 0.198 nan 8.360 nan 0.000 0.454 149 R N 0.799 121.281 120.500 -0.029 0.000 2.075 149 R HA -0.048 4.225 4.340 -0.111 0.000 0.230 149 R C 2.514 178.803 176.300 -0.018 0.000 1.140 149 R CA 1.292 57.382 56.100 -0.016 0.000 0.928 149 R CB -1.253 29.046 30.300 -0.002 0.000 0.834 149 R HN 0.289 nan 8.270 nan 0.000 0.429 150 L N 0.885 122.099 121.223 -0.015 0.000 2.191 150 L HA -0.108 4.165 4.340 -0.111 0.000 0.212 150 L C 2.122 178.967 176.870 -0.042 0.000 1.103 150 L CA 1.755 56.584 54.840 -0.017 0.000 0.769 150 L CB -0.503 41.553 42.059 -0.005 0.000 0.908 150 L HN 0.278 nan 8.230 nan 0.000 0.438 151 R N 0.464 120.929 120.500 -0.059 0.000 2.148 151 R HA -0.180 4.093 4.340 -0.111 0.000 0.223 151 R C 2.216 178.490 176.300 -0.044 0.000 1.088 151 R CA 1.459 57.520 56.100 -0.064 0.000 0.985 151 R CB 0.088 30.339 30.300 -0.082 0.000 0.880 151 R HN 0.407 nan 8.270 nan 0.000 0.451 152 K N -0.007 120.372 120.400 -0.035 0.000 2.128 152 K HA 0.048 4.301 4.320 -0.111 0.000 0.202 152 K C 1.490 178.079 176.600 -0.018 0.000 1.050 152 K CA 1.466 57.738 56.287 -0.025 0.000 0.966 152 K CB -0.195 32.291 32.500 -0.022 0.000 0.759 152 K HN 0.145 nan 8.250 nan 0.000 0.454 153 E N 0.962 121.153 120.200 -0.015 0.000 2.114 153 E HA -0.229 4.054 4.350 -0.111 0.000 0.199 153 E C 2.036 178.630 176.600 -0.010 0.000 1.008 153 E CA 1.508 57.903 56.400 -0.008 0.000 0.810 153 E CB -0.382 29.316 29.700 -0.002 0.000 0.739 153 E HN 0.511 nan 8.360 nan 0.000 0.456 154 A N 1.907 124.718 122.820 -0.015 0.000 1.997 154 A HA -0.259 3.994 4.320 -0.111 0.000 0.221 154 A C 2.014 179.590 177.584 -0.014 0.000 1.172 154 A CA 1.885 53.913 52.037 -0.016 0.000 0.645 154 A CB -0.704 18.280 19.000 -0.026 0.000 0.813 154 A HN 0.298 nan 8.150 nan 0.000 0.454 155 R N -1.292 119.199 120.500 -0.014 0.000 2.310 155 R HA 0.449 4.722 4.340 -0.111 0.000 0.202 155 R C 1.505 177.800 176.300 -0.009 0.000 0.933 155 R CA 0.829 56.922 56.100 -0.012 0.000 1.054 155 R CB -0.172 30.120 30.300 -0.013 0.000 0.985 155 R HN 0.345 nan 8.270 nan 0.000 0.489 156 A N 1.078 123.894 122.820 -0.008 0.000 1.970 156 A HA 0.033 4.286 4.320 -0.111 0.000 0.204 156 A C 0.245 177.826 177.584 -0.004 0.000 1.325 156 A CA 0.376 52.409 52.037 -0.006 0.000 0.767 156 A CB 0.306 19.302 19.000 -0.005 0.000 0.949 156 A HN 0.272 nan 8.150 nan 0.000 0.481 157 D N -0.871 119.527 120.400 -0.004 0.000 2.256 157 D HA 0.356 4.930 4.640 -0.111 0.000 0.240 157 D C 0.647 176.946 176.300 -0.002 0.000 1.062 157 D CA -0.557 53.442 54.000 -0.002 0.000 0.832 157 D CB 1.473 42.273 40.800 -0.000 0.000 1.135 157 D HN 0.157 nan 8.370 nan 0.000 0.484 158 R N 2.516 123.015 120.500 -0.002 0.000 2.127 158 R HA 0.019 4.292 4.340 -0.111 0.000 0.217 158 R C 0.996 177.296 176.300 0.000 0.000 1.074 158 R CA 0.854 56.953 56.100 -0.002 0.000 0.991 158 R CB 0.251 30.550 30.300 -0.001 0.000 0.895 158 R HN 0.502 nan 8.270 nan 0.000 0.450 159 E N -0.052 120.149 120.200 0.003 0.000 2.533 159 E HA -0.079 4.204 4.350 -0.111 0.000 0.201 159 E C 0.926 177.531 176.600 0.009 0.000 1.097 159 E CA 0.190 56.593 56.400 0.006 0.000 0.887 159 E CB 0.269 29.972 29.700 0.006 0.000 0.855 159 E HN 0.118 nan 8.360 nan 0.000 0.540 160 R N -0.019 120.485 120.500 0.007 0.000 2.397 160 R HA 0.097 4.371 4.340 -0.111 0.000 0.241 160 R C 1.575 177.876 176.300 0.001 0.000 0.914 160 R CA -0.040 56.066 56.100 0.010 0.000 1.071 160 R CB 0.098 30.403 30.300 0.008 0.000 1.116 160 R HN 0.166 nan 8.270 nan 0.000 0.524 161 L N 1.779 123.001 121.223 -0.002 0.000 2.156 161 L HA 0.051 4.324 4.340 -0.111 0.000 0.208 161 L C -0.994 175.869 176.870 -0.011 0.000 1.095 161 L CA 1.669 56.503 54.840 -0.010 0.000 0.770 161 L CB -0.761 41.293 42.059 -0.007 0.000 0.914 161 L HN -0.013 nan 8.230 nan 0.000 0.439 162 P HA -0.103 nan 4.420 nan 0.000 0.217 162 P C 1.778 179.077 177.300 -0.001 0.000 1.151 162 P CA 1.034 64.137 63.100 0.005 0.000 0.828 162 P CB 0.086 31.796 31.700 0.017 0.000 0.788 163 L N -1.748 119.478 121.223 0.005 0.000 2.201 163 L HA -0.122 4.151 4.340 -0.111 0.000 0.212 163 L C 2.218 179.007 176.870 -0.136 0.000 1.105 163 L CA 1.283 56.114 54.840 -0.014 0.000 0.775 163 L CB -1.458 40.644 42.059 0.072 0.000 0.913 163 L HN -0.044 nan 8.230 nan 0.000 0.440 164 L N -0.524 120.639 121.223 -0.100 0.000 1.976 164 L HA -0.184 4.089 4.340 -0.111 0.000 0.209 164 L C 2.558 179.337 176.870 -0.151 0.000 1.071 164 L CA 1.657 56.414 54.840 -0.138 0.000 0.746 164 L CB -0.680 41.328 42.059 -0.085 0.000 0.890 164 L HN 0.287 nan 8.230 nan 0.000 0.432 165 E N 0.125 120.275 120.200 -0.085 0.000 2.082 165 E HA -0.391 3.892 4.350 -0.111 0.000 0.215 165 E C 2.090 178.643 176.600 -0.078 0.000 1.048 165 E CA 1.771 58.140 56.400 -0.051 0.000 0.869 165 E CB -1.118 28.577 29.700 -0.008 0.000 0.773 165 E HN 0.617 nan 8.360 nan 0.000 0.466 166 A N 2.029 124.796 122.820 -0.089 0.000 1.859 166 A HA -0.223 4.031 4.320 -0.111 0.000 0.218 166 A C 2.580 179.944 177.584 -0.367 0.000 1.209 166 A CA 3.256 55.219 52.037 -0.123 0.000 0.639 166 A CB -1.172 17.793 19.000 -0.058 0.000 0.835 166 A HN 0.367 nan 8.150 nan 0.000 0.450 167 A N -0.786 121.663 122.820 -0.620 0.000 1.903 167 A HA -0.259 3.995 4.320 -0.111 0.000 0.219 167 A C 1.964 179.325 177.584 -0.372 0.000 1.191 167 A CA 2.111 53.639 52.037 -0.849 0.000 0.638 167 A CB -0.628 17.849 19.000 -0.872 0.000 0.823 167 A HN 0.583 nan 8.150 nan 0.000 0.451 168 E N -0.686 119.375 120.200 -0.232 0.000 2.012 168 E HA -0.153 4.131 4.350 -0.111 0.000 0.197 168 E C 2.308 178.883 176.600 -0.041 0.000 1.007 168 E CA 1.260 57.607 56.400 -0.088 0.000 0.816 168 E CB -1.149 28.516 29.700 -0.058 0.000 0.762 168 E HN 0.551 nan 8.360 nan 0.000 0.451 169 G N 2.058 110.824 108.800 -0.056 0.000 2.553 169 G HA2 -0.291 3.602 3.960 -0.111 0.000 0.218 169 G HA3 -0.291 3.602 3.960 -0.111 0.000 0.218 169 G C 1.803 176.569 174.900 -0.224 0.000 1.195 169 G CA 1.199 46.312 45.100 0.021 0.000 0.779 169 G HN 0.160 nan 8.290 nan 0.000 0.577 170 L N -1.060 119.740 121.223 -0.705 0.000 1.997 170 L HA -0.231 4.042 4.340 -0.111 0.000 0.216 170 L C 2.614 179.373 176.870 -0.186 0.000 1.074 170 L CA 2.026 56.417 54.840 -0.750 0.000 0.763 170 L CB -0.574 41.151 42.059 -0.557 0.000 0.890 170 L HN 0.334 nan 8.230 nan 0.000 0.434 171 Y N 0.061 120.250 120.300 -0.184 0.000 2.151 171 Y HA -0.282 4.201 4.550 -0.112 0.000 0.284 171 Y C 2.367 178.261 175.900 -0.011 0.000 1.166 171 Y CA 1.868 59.924 58.100 -0.074 0.000 1.163 171 Y CB -0.310 38.099 38.460 -0.084 0.000 0.974 171 Y HN -0.107 nan 8.280 nan 0.000 0.511 172 V N -0.551 119.374 119.914 0.017 0.000 2.427 172 V HA -0.303 3.751 4.120 -0.111 0.000 0.248 172 V C 2.165 178.263 176.094 0.006 0.000 1.051 172 V CA 2.198 64.498 62.300 -0.001 0.000 1.048 172 V CB -0.957 30.916 31.823 0.084 0.000 0.666 172 V HN 0.487 nan 8.190 nan 0.000 0.456 173 H N 0.531 119.590 119.070 -0.019 0.000 2.265 173 H HA -0.206 4.282 4.556 -0.113 0.000 0.295 173 H C 1.947 177.255 175.328 -0.033 0.000 1.084 173 H CA 2.366 58.441 56.048 0.045 0.000 1.261 173 H CB -0.288 29.559 29.762 0.141 0.000 1.360 173 H HN 0.310 nan 8.280 nan 0.000 0.487 174 L N 0.322 121.525 121.223 -0.034 0.000 2.131 174 L HA -0.169 4.104 4.340 -0.111 0.000 0.210 174 L C 2.602 179.363 176.870 -0.182 0.000 1.092 174 L CA 1.446 56.216 54.840 -0.117 0.000 0.759 174 L CB -0.537 41.463 42.059 -0.098 0.000 0.903 174 L HN 0.394 nan 8.230 nan 0.000 0.435 175 Q N 0.088 119.739 119.800 -0.248 0.000 2.170 175 Q HA -0.197 4.076 4.340 -0.111 0.000 0.203 175 Q C 1.421 177.342 176.000 -0.132 0.000 0.976 175 Q CA 1.247 56.916 55.803 -0.223 0.000 0.858 175 Q CB -0.118 28.470 28.738 -0.250 0.000 0.907 175 Q HN 0.620 nan 8.270 nan 0.000 0.433 176 E N -0.781 119.345 120.200 -0.124 0.000 2.463 176 E HA 0.054 4.338 4.350 -0.111 0.000 0.191 176 E C 0.860 177.395 176.600 -0.108 0.000 1.083 176 E CA 0.302 56.642 56.400 -0.100 0.000 0.872 176 E CB 0.310 29.958 29.700 -0.087 0.000 0.966 176 E HN 0.500 nan 8.360 nan 0.000 0.491 177 G N 1.950 110.683 108.800 -0.112 0.000 2.217 177 G HA2 -0.311 3.582 3.960 -0.111 0.000 0.246 177 G HA3 -0.311 3.582 3.960 -0.111 0.000 0.246 177 G C 0.256 175.095 174.900 -0.102 0.000 0.990 177 G CA -0.101 44.950 45.100 -0.082 0.000 0.627 177 G HN 0.204 nan 8.290 nan 0.000 0.522 178 K N 2.348 122.622 120.400 -0.210 0.000 2.368 178 K HA 0.372 4.625 4.320 -0.111 0.000 0.282 178 K C -2.195 174.284 176.600 -0.203 0.000 1.035 178 K CA -1.216 54.870 56.287 -0.336 0.000 0.973 178 K CB 1.313 33.319 32.500 -0.823 0.000 0.957 178 K HN 0.197 nan 8.250 nan 0.000 0.474 179 P HA 0.027 nan 4.420 nan 0.000 0.278 179 P C -0.035 177.464 177.300 0.333 0.000 1.238 179 P CA -0.099 63.092 63.100 0.152 0.000 0.794 179 P CB 1.415 33.186 31.700 0.118 0.000 0.955 180 A N 4.879 127.844 122.820 0.242 0.000 1.892 180 A HA -0.260 3.993 4.320 -0.111 0.000 0.218 180 A C 2.193 179.891 177.584 0.190 0.000 1.188 180 A CA 2.287 54.447 52.037 0.207 0.000 0.631 180 A CB -1.318 17.754 19.000 0.120 0.000 0.822 180 A HN 0.693 nan 8.150 nan 0.000 0.447 181 R N -0.116 120.470 120.500 0.142 0.000 2.185 181 R HA -0.165 4.108 4.340 -0.111 0.000 0.247 181 R C 1.523 177.893 176.300 0.117 0.000 1.159 181 R CA 2.061 58.222 56.100 0.102 0.000 0.988 181 R CB -1.481 28.858 30.300 0.064 0.000 0.871 181 R HN 0.545 nan 8.270 nan 0.000 0.458 182 T N -2.824 111.847 114.554 0.196 0.000 3.163 182 T HA 0.135 4.418 4.350 -0.111 0.000 0.252 182 T C 0.015 174.783 174.700 0.114 0.000 1.056 182 T CA -0.709 61.499 62.100 0.180 0.000 0.947 182 T CB -0.159 68.839 68.868 0.217 0.000 1.016 182 T HN 0.182 nan 8.240 nan 0.000 0.554 183 F N 4.692 124.554 119.950 -0.147 0.000 2.456 183 F HA 0.393 4.851 4.527 -0.115 0.000 0.358 183 F C -1.875 173.833 175.800 -0.152 0.000 1.095 183 F CA -3.071 54.698 58.000 -0.384 0.000 1.216 183 F CB 0.724 39.474 39.000 -0.416 0.000 1.125 183 F HN 0.016 nan 8.300 nan 0.000 0.549 184 P HA 0.047 nan 4.420 nan 0.000 0.260 184 P C -2.648 174.494 177.300 -0.263 0.000 1.185 184 P CA -0.700 62.126 63.100 -0.456 0.000 0.763 184 P CB -0.194 31.181 31.700 -0.542 0.000 0.776 185 P HA 0.197 nan 4.420 nan 0.000 0.272 185 P C -0.228 177.065 177.300 -0.012 0.000 1.223 185 P CA 0.086 63.175 63.100 -0.018 0.000 0.784 185 P CB 0.546 32.241 31.700 -0.008 0.000 0.923 186 S N -0.993 114.728 115.700 0.036 0.000 2.552 186 S HA 0.205 4.608 4.470 -0.111 0.000 0.272 186 S C 0.864 175.493 174.600 0.049 0.000 1.150 186 S CA -0.660 57.561 58.200 0.036 0.000 0.849 186 S CB 1.308 64.537 63.200 0.049 0.000 1.113 186 S HN 0.480 nan 8.310 nan 0.000 0.458 187 E N 1.796 122.017 120.200 0.035 0.000 2.070 187 E HA -0.160 4.123 4.350 -0.111 0.000 0.197 187 E C 1.931 178.562 176.600 0.052 0.000 1.004 187 E CA 1.932 58.352 56.400 0.034 0.000 0.805 187 E CB -0.599 29.115 29.700 0.024 0.000 0.744 187 E HN 0.800 nan 8.360 nan 0.000 0.451 188 A N 0.810 123.666 122.820 0.061 0.000 1.844 188 A HA -0.236 4.017 4.320 -0.111 0.000 0.214 188 A C 2.378 180.036 177.584 0.122 0.000 1.217 188 A CA 2.170 54.254 52.037 0.079 0.000 0.644 188 A CB -1.362 17.681 19.000 0.071 0.000 0.850 188 A HN 0.228 nan 8.150 nan 0.000 0.456 189 V N -0.141 119.863 119.914 0.150 0.000 2.241 189 V HA -0.440 3.613 4.120 -0.111 0.000 0.256 189 V C 3.001 179.202 176.094 0.178 0.000 1.060 189 V CA 3.315 65.739 62.300 0.206 0.000 1.065 189 V CB -1.697 30.275 31.823 0.249 0.000 0.685 189 V HN 0.847 nan 8.190 nan 0.000 0.467 190 A N -0.298 122.590 122.820 0.113 0.000 1.985 190 A HA -0.356 3.897 4.320 -0.111 0.000 0.223 190 A C 2.248 179.852 177.584 0.033 0.000 1.189 190 A CA 2.772 54.846 52.037 0.060 0.000 0.658 190 A CB -0.660 18.363 19.000 0.037 0.000 0.820 190 A HN 0.673 nan 8.150 nan 0.000 0.464 191 R N -2.520 118.012 120.500 0.054 0.000 2.093 191 R HA -0.015 4.258 4.340 -0.111 0.000 0.224 191 R C 2.059 178.371 176.300 0.021 0.000 1.101 191 R CA 1.238 57.356 56.100 0.030 0.000 0.979 191 R CB -0.531 29.796 30.300 0.045 0.000 0.877 191 R HN 0.583 nan 8.270 nan 0.000 0.441 192 F N 2.147 122.094 119.950 -0.005 0.000 2.095 192 F HA -0.153 4.308 4.527 -0.109 0.000 0.298 192 F C 1.909 177.700 175.800 -0.016 0.000 1.104 192 F CA 1.388 59.380 58.000 -0.014 0.000 1.232 192 F CB -0.361 38.626 39.000 -0.022 0.000 0.987 192 F HN -0.125 nan 8.300 nan 0.000 0.475 193 L N 0.095 121.134 121.223 -0.306 0.000 2.131 193 L HA -0.221 4.052 4.340 -0.111 0.000 0.210 193 L C 2.538 179.237 176.870 -0.285 0.000 1.092 193 L CA 1.682 56.323 54.840 -0.333 0.000 0.759 193 L CB -0.658 41.343 42.059 -0.096 0.000 0.903 193 L HN 0.141 nan 8.230 nan 0.000 0.435 194 K N 0.205 120.488 120.400 -0.194 0.000 2.155 194 K HA -0.206 4.047 4.320 -0.111 0.000 0.203 194 K C 2.049 178.544 176.600 -0.176 0.000 1.052 194 K CA 1.137 57.337 56.287 -0.145 0.000 0.948 194 K CB 0.126 32.573 32.500 -0.088 0.000 0.728 194 K HN 0.258 nan 8.250 nan 0.000 0.448 195 E N -0.379 119.680 120.200 -0.235 0.000 2.112 195 E HA -0.055 4.228 4.350 -0.111 0.000 0.190 195 E C -0.455 175.988 176.600 -0.262 0.000 0.979 195 E CA 0.933 57.210 56.400 -0.206 0.000 0.814 195 E CB 0.444 30.050 29.700 -0.156 0.000 0.762 195 E HN 0.065 nan 8.360 nan 0.000 0.460 196 T N 3.055 117.327 114.554 -0.469 0.000 3.226 196 T HA 0.286 4.570 4.350 -0.111 0.000 0.378 196 T C -2.715 171.773 174.700 -0.353 0.000 1.380 196 T CA -1.310 60.543 62.100 -0.411 0.000 1.396 196 T CB 1.504 70.015 68.868 -0.595 0.000 1.044 196 T HN 0.004 nan 8.240 nan 0.000 0.586 197 P HA 0.143 nan 4.420 nan 0.000 0.260 197 P C -0.587 176.664 177.300 -0.081 0.000 1.207 197 P CA -0.089 62.930 63.100 -0.134 0.000 0.780 197 P CB 0.255 31.899 31.700 -0.094 0.000 0.789 198 L N 4.749 125.936 121.223 -0.060 0.000 2.262 198 L HA 0.235 4.508 4.340 -0.111 0.000 0.288 198 L C 1.801 178.678 176.870 0.012 0.000 1.035 198 L CA -0.662 54.175 54.840 -0.004 0.000 0.820 198 L CB 0.844 42.922 42.059 0.030 0.000 1.204 198 L HN 0.361 nan 8.230 nan 0.000 0.424 199 L N 1.782 123.016 121.223 0.020 0.000 2.054 199 L HA -0.291 3.982 4.340 -0.111 0.000 0.220 199 L C 2.506 179.401 176.870 0.041 0.000 1.081 199 L CA 2.274 57.131 54.840 0.028 0.000 0.780 199 L CB -0.859 41.223 42.059 0.038 0.000 0.893 199 L HN 0.859 nan 8.230 nan 0.000 0.438 200 T N -3.353 111.233 114.554 0.054 0.000 3.163 200 T HA 0.140 4.423 4.350 -0.111 0.000 0.260 200 T C 1.597 176.338 174.700 0.069 0.000 1.156 200 T CA 0.619 62.759 62.100 0.068 0.000 1.072 200 T CB 0.043 68.959 68.868 0.081 0.000 0.937 200 T HN 0.352 nan 8.240 nan 0.000 0.528 201 A N 1.449 124.300 122.820 0.052 0.000 1.975 201 A HA 0.239 4.492 4.320 -0.111 0.000 0.215 201 A C 1.246 178.845 177.584 0.025 0.000 1.170 201 A CA 0.075 52.138 52.037 0.045 0.000 0.656 201 A CB -0.209 18.806 19.000 0.026 0.000 0.821 201 A HN 0.539 nan 8.150 nan 0.000 0.449 202 K N 0.610 121.020 120.400 0.017 0.000 2.440 202 K HA 0.195 4.448 4.320 -0.111 0.000 0.270 202 K C -2.635 173.971 176.600 0.010 0.000 0.980 202 K CA -1.141 55.150 56.287 0.007 0.000 0.953 202 K CB -0.062 32.443 32.500 0.009 0.000 0.925 202 K HN 0.150 nan 8.250 nan 0.000 0.497 203 P HA 0.156 nan 4.420 nan 0.000 0.282 203 P C -1.088 176.211 177.300 -0.003 0.000 1.249 203 P CA -0.513 62.583 63.100 -0.008 0.000 0.806 203 P CB 0.963 32.653 31.700 -0.017 0.000 0.984 204 V N 4.175 124.069 119.914 -0.032 0.000 2.495 204 V HA 0.391 4.444 4.120 -0.111 0.000 0.298 204 V C 0.157 176.195 176.094 -0.095 0.000 1.031 204 V CA -0.438 61.838 62.300 -0.040 0.000 0.871 204 V CB 1.463 33.232 31.823 -0.089 0.000 0.988 204 V HN 0.405 nan 8.190 nan 0.000 0.432 205 I N 5.070 125.647 120.570 0.011 0.000 2.371 205 I HA 0.350 4.453 4.170 -0.111 0.000 0.282 205 I C -0.620 175.598 176.117 0.168 0.000 1.031 205 I CA -0.387 60.939 61.300 0.044 0.000 1.180 205 I CB 0.730 38.794 38.000 0.108 0.000 1.336 205 I HN 0.560 nan 8.210 nan 0.000 0.467 206 Y N 5.461 125.802 120.300 0.067 0.000 2.637 206 Y HA 0.150 4.637 4.550 -0.106 0.000 0.350 206 Y C 0.476 176.394 175.900 0.030 0.000 1.069 206 Y CA -0.823 57.297 58.100 0.033 0.000 1.397 206 Y CB 0.888 39.347 38.460 -0.001 0.000 1.163 206 Y HN 0.258 nan 8.280 nan 0.000 0.527 207 V N 4.943 124.978 119.914 0.202 0.000 2.368 207 V HA 0.267 4.320 4.120 -0.111 0.000 0.266 207 V C 0.246 176.384 176.094 0.074 0.000 1.045 207 V CA -0.574 61.798 62.300 0.121 0.000 0.899 207 V CB 0.765 32.659 31.823 0.118 0.000 1.006 207 V HN 0.803 nan 8.190 nan 0.000 0.470 208 A N 4.974 127.829 122.820 0.058 0.000 2.316 208 A HA 0.447 4.700 4.320 -0.111 0.000 0.311 208 A C 0.216 177.822 177.584 0.037 0.000 1.339 208 A CA -0.391 51.668 52.037 0.038 0.000 0.960 208 A CB -0.169 18.852 19.000 0.035 0.000 1.152 208 A HN 0.726 nan 8.150 nan 0.000 0.547 209 N N 1.879 120.621 118.700 0.070 0.000 2.442 209 N HA 0.415 5.088 4.740 -0.111 0.000 0.265 209 N C -0.301 175.275 175.510 0.110 0.000 1.138 209 N CA 0.150 53.259 53.050 0.097 0.000 0.956 209 N CB 0.876 39.479 38.487 0.193 0.000 1.067 209 N HN 0.599 nan 8.380 nan 0.000 0.474 210 V N 0.194 120.035 119.914 -0.121 0.000 3.102 210 V HA 0.862 4.915 4.120 -0.111 0.000 0.312 210 V C 0.061 175.718 176.094 -0.729 0.000 1.135 210 V CA -1.537 60.595 62.300 -0.280 0.000 1.022 210 V CB 1.053 32.800 31.823 -0.127 0.000 1.056 210 V HN 0.627 nan 8.190 nan 0.000 0.436 211 A N 1.544 123.918 122.820 -0.742 0.000 2.488 211 A HA 0.322 4.575 4.320 -0.111 0.000 0.249 211 A C 1.196 178.585 177.584 -0.325 0.000 1.083 211 A CA 0.381 52.026 52.037 -0.654 0.000 0.768 211 A CB -0.107 18.731 19.000 -0.269 0.000 1.017 211 A HN 1.179 nan 8.150 nan 0.000 0.496 212 E N 2.708 122.751 120.200 -0.263 0.000 2.455 212 E HA -0.215 4.068 4.350 -0.111 0.000 0.202 212 E C 0.525 177.157 176.600 0.054 0.000 1.045 212 E CA 1.278 57.578 56.400 -0.166 0.000 0.872 212 E CB -0.090 29.470 29.700 -0.234 0.000 0.792 212 E HN 0.886 nan 8.360 nan 0.000 0.542 213 E N 0.869 121.097 120.200 0.046 0.000 2.502 213 E HA -0.047 4.236 4.350 -0.111 0.000 0.194 213 E C 0.125 176.749 176.600 0.040 0.000 1.062 213 E CA 0.455 56.906 56.400 0.085 0.000 0.867 213 E CB 0.133 29.857 29.700 0.040 0.000 0.888 213 E HN 0.226 nan 8.360 nan 0.000 0.510 214 D N 0.626 121.020 120.400 -0.009 0.000 2.423 214 D HA 0.182 4.755 4.640 -0.111 0.000 0.212 214 D C 0.633 176.922 176.300 -0.019 0.000 1.060 214 D CA -0.090 53.900 54.000 -0.017 0.000 0.872 214 D CB 0.402 41.178 40.800 -0.040 0.000 1.012 214 D HN 0.042 nan 8.370 nan 0.000 0.503 215 L N 2.058 123.257 121.223 -0.040 0.000 2.517 215 L HA -0.017 4.256 4.340 -0.111 0.000 0.294 215 L C -0.842 176.031 176.870 0.006 0.000 1.264 215 L CA -0.511 54.298 54.840 -0.051 0.000 0.839 215 L CB 0.218 42.203 42.059 -0.124 0.000 1.098 215 L HN 0.045 nan 8.230 nan 0.000 0.525 216 P HA -0.066 nan 4.420 nan 0.000 0.221 216 P C 0.092 177.379 177.300 -0.022 0.000 1.155 216 P CA 1.153 64.242 63.100 -0.018 0.000 0.812 216 P CB 0.369 32.068 31.700 -0.002 0.000 0.801 217 D N -1.311 119.083 120.400 -0.009 0.000 2.582 217 D HA 0.175 4.748 4.640 -0.111 0.000 0.246 217 D C 0.683 176.983 176.300 -0.001 0.000 1.334 217 D CA -0.190 53.807 54.000 -0.004 0.000 0.805 217 D CB -0.070 40.733 40.800 0.005 0.000 1.087 217 D HN 0.108 nan 8.370 nan 0.000 0.499 218 G N 2.573 111.369 108.800 -0.007 0.000 2.334 218 G HA2 -0.349 3.544 3.960 -0.111 0.000 0.279 218 G HA3 -0.349 3.544 3.960 -0.111 0.000 0.279 218 G C 0.226 175.131 174.900 0.008 0.000 0.918 218 G CA 0.203 45.301 45.100 -0.002 0.000 1.314 218 G HN 0.303 nan 8.290 nan 0.000 0.463 219 R N 0.082 120.588 120.500 0.009 0.000 2.615 219 R HA 0.472 4.745 4.340 -0.111 0.000 0.270 219 R C 1.624 177.932 176.300 0.013 0.000 1.081 219 R CA 0.557 56.664 56.100 0.012 0.000 1.154 219 R CB 0.185 30.492 30.300 0.011 0.000 1.063 219 R HN 1.462 nan 8.270 nan 0.000 0.519 220 G N 2.183 110.991 108.800 0.014 0.000 2.321 220 G HA2 -0.299 3.594 3.960 -0.111 0.000 0.287 220 G HA3 -0.299 3.594 3.960 -0.111 0.000 0.287 220 G C -0.286 174.624 174.900 0.016 0.000 1.018 220 G CA 0.761 45.870 45.100 0.014 0.000 0.855 220 G HN 0.625 nan 8.290 nan 0.000 0.507 221 N N 0.236 118.947 118.700 0.018 0.000 2.776 221 N HA 0.317 4.990 4.740 -0.111 0.000 0.245 221 N C -0.313 175.210 175.510 0.021 0.000 1.121 221 N CA -1.780 51.284 53.050 0.022 0.000 0.852 221 N CB 1.459 39.961 38.487 0.024 0.000 1.142 221 N HN 0.074 nan 8.380 nan 0.000 0.514 222 P HA -0.311 nan 4.420 nan 0.000 0.226 222 P C 0.952 178.260 177.300 0.014 0.000 1.154 222 P CA 1.642 64.751 63.100 0.015 0.000 0.918 222 P CB 0.543 32.251 31.700 0.013 0.000 0.790 223 Q N -0.520 119.290 119.800 0.016 0.000 1.967 223 Q HA -0.087 4.186 4.340 -0.111 0.000 0.202 223 Q C 2.302 178.308 176.000 0.010 0.000 0.985 223 Q CA 1.512 57.320 55.803 0.009 0.000 0.839 223 Q CB -0.696 28.051 28.738 0.015 0.000 0.906 223 Q HN 0.105 nan 8.270 nan 0.000 0.423 224 V N 1.192 121.118 119.914 0.021 0.000 3.284 224 V HA -0.212 3.841 4.120 -0.111 0.000 0.273 224 V C 1.728 177.838 176.094 0.026 0.000 1.178 224 V CA 1.606 63.920 62.300 0.023 0.000 1.177 224 V CB -0.568 31.269 31.823 0.024 0.000 0.793 224 V HN 0.362 nan 8.190 nan 0.000 0.536 225 E N -0.374 119.839 120.200 0.022 0.000 2.340 225 E HA 0.099 4.382 4.350 -0.111 0.000 0.198 225 E C 2.262 178.876 176.600 0.025 0.000 0.961 225 E CA 0.696 57.110 56.400 0.024 0.000 0.905 225 E CB 0.095 29.807 29.700 0.019 0.000 0.884 225 E HN 0.539 nan 8.360 nan 0.000 0.491 226 A N 0.681 123.511 122.820 0.017 0.000 1.877 226 A HA -0.125 4.128 4.320 -0.111 0.000 0.216 226 A C 2.300 179.896 177.584 0.020 0.000 1.186 226 A CA 1.235 53.279 52.037 0.011 0.000 0.620 226 A CB -0.795 18.202 19.000 -0.005 0.000 0.822 226 A HN 0.175 nan 8.150 nan 0.000 0.443 227 V N 0.013 119.936 119.914 0.015 0.000 2.219 227 V HA -0.334 3.719 4.120 -0.111 0.000 0.248 227 V C 2.618 178.780 176.094 0.112 0.000 1.053 227 V CA 2.500 64.822 62.300 0.037 0.000 1.009 227 V CB -0.803 31.037 31.823 0.029 0.000 0.636 227 V HN 0.572 nan 8.190 nan 0.000 0.445 228 R N -0.540 120.013 120.500 0.088 0.000 2.174 228 R HA -0.237 4.036 4.340 -0.111 0.000 0.253 228 R C 2.367 178.714 176.300 0.079 0.000 1.165 228 R CA 1.963 58.113 56.100 0.084 0.000 0.984 228 R CB -0.317 30.015 30.300 0.054 0.000 0.873 228 R HN 0.555 nan 8.270 nan 0.000 0.456 229 R N -0.525 120.016 120.500 0.067 0.000 2.161 229 R HA -0.020 4.253 4.340 -0.111 0.000 0.213 229 R C 1.994 178.340 176.300 0.077 0.000 1.055 229 R CA 0.657 56.792 56.100 0.058 0.000 0.996 229 R CB -0.024 30.300 30.300 0.040 0.000 0.901 229 R HN -0.074 nan 8.270 nan 0.000 0.456 230 K N 1.553 122.021 120.400 0.113 0.000 1.991 230 K HA 0.064 4.317 4.320 -0.111 0.000 0.207 230 K C 1.985 178.708 176.600 0.205 0.000 1.045 230 K CA 1.490 57.870 56.287 0.155 0.000 0.937 230 K CB -0.552 32.051 32.500 0.172 0.000 0.720 230 K HN 0.079 nan 8.250 nan 0.000 0.438 231 A N 0.622 123.617 122.820 0.292 0.000 2.009 231 A HA -0.215 4.038 4.320 -0.111 0.000 0.222 231 A C 2.056 179.643 177.584 0.006 0.000 1.175 231 A CA 1.949 54.043 52.037 0.095 0.000 0.651 231 A CB -0.707 18.353 19.000 0.099 0.000 0.815 231 A HN 0.345 nan 8.150 nan 0.000 0.459 232 L N -0.809 120.441 121.223 0.045 0.000 2.270 232 L HA 0.043 4.316 4.340 -0.111 0.000 0.210 232 L C 1.959 178.846 176.870 0.029 0.000 1.104 232 L CA 1.891 56.746 54.840 0.026 0.000 0.804 232 L CB -0.362 41.716 42.059 0.031 0.000 0.937 232 L HN 0.487 nan 8.230 nan 0.000 0.450 233 E N -1.087 119.141 120.200 0.047 0.000 2.385 233 E HA -0.032 4.252 4.350 -0.111 0.000 0.194 233 E C 1.053 177.683 176.600 0.051 0.000 1.013 233 E CA 0.277 56.705 56.400 0.047 0.000 0.866 233 E CB 0.305 30.035 29.700 0.051 0.000 0.832 233 E HN 0.392 nan 8.360 nan 0.000 0.500 234 E N -0.433 119.798 120.200 0.050 0.000 2.498 234 E HA 0.091 4.374 4.350 -0.111 0.000 0.203 234 E C 0.730 177.325 176.600 -0.009 0.000 1.013 234 E CA 0.273 56.698 56.400 0.041 0.000 0.927 234 E CB 1.232 30.983 29.700 0.085 0.000 1.012 234 E HN 0.270 nan 8.360 nan 0.000 0.482 235 G N 1.875 110.662 108.800 -0.023 0.000 2.246 235 G HA2 -0.257 3.636 3.960 -0.111 0.000 0.273 235 G HA3 -0.257 3.636 3.960 -0.111 0.000 0.273 235 G C 0.274 175.115 174.900 -0.098 0.000 1.055 235 G CA 0.467 45.546 45.100 -0.034 0.000 0.851 235 G HN 0.444 nan 8.290 nan 0.000 0.500 236 A N -0.759 121.939 122.820 -0.202 0.000 2.337 236 A HA 0.859 5.112 4.320 -0.111 0.000 0.331 236 A C 0.167 177.616 177.584 -0.225 0.000 1.137 236 A CA -0.585 51.254 52.037 -0.331 0.000 0.807 236 A CB 1.236 19.727 19.000 -0.847 0.000 1.250 236 A HN 0.216 nan 8.150 nan 0.000 0.468 237 E N -0.103 120.007 120.200 -0.150 0.000 2.280 237 E HA 0.574 4.857 4.350 -0.111 0.000 0.264 237 E C -0.710 175.865 176.600 -0.042 0.000 1.064 237 E CA -0.548 55.814 56.400 -0.063 0.000 0.900 237 E CB 1.592 31.282 29.700 -0.017 0.000 1.123 237 E HN 0.337 nan 8.360 nan 0.000 0.418 238 V N 0.658 120.582 119.914 0.016 0.000 2.604 238 V HA 0.500 4.553 4.120 -0.111 0.000 0.305 238 V C -0.344 175.785 176.094 0.058 0.000 1.043 238 V CA -0.904 61.437 62.300 0.067 0.000 0.888 238 V CB 2.035 33.913 31.823 0.090 0.000 0.995 238 V HN 0.314 nan 8.190 nan 0.000 0.429 239 V N 4.536 124.492 119.914 0.069 0.000 2.569 239 V HA 0.419 4.472 4.120 -0.111 0.000 0.301 239 V C -0.317 175.800 176.094 0.039 0.000 1.044 239 V CA -0.523 61.806 62.300 0.048 0.000 0.874 239 V CB 2.188 34.044 31.823 0.055 0.000 1.002 239 V HN 0.649 nan 8.190 nan 0.000 0.424 240 V N 6.528 126.452 119.914 0.016 0.000 2.567 240 V HA 0.796 4.850 4.120 -0.111 0.000 0.289 240 V C -0.075 175.999 176.094 -0.033 0.000 1.049 240 V CA 0.223 62.521 62.300 -0.003 0.000 0.969 240 V CB 1.856 33.672 31.823 -0.012 0.000 0.995 240 V HN 0.847 nan 8.190 nan 0.000 0.471 241 V N 1.853 121.737 119.914 -0.050 0.000 3.285 241 V HA 0.736 4.789 4.120 -0.111 0.000 0.293 241 V C -0.801 175.224 176.094 -0.115 0.000 1.563 241 V CA -0.683 61.565 62.300 -0.087 0.000 1.058 241 V CB 1.824 33.602 31.823 -0.076 0.000 1.142 241 V HN 0.748 nan 8.190 nan 0.000 0.470 242 S N -0.354 115.257 115.700 -0.148 0.000 2.756 242 S HA 0.732 5.135 4.470 -0.111 0.000 0.303 242 S C 0.933 175.463 174.600 -0.115 0.000 1.135 242 S CA 0.237 58.333 58.200 -0.174 0.000 1.066 242 S CB 1.163 64.210 63.200 -0.254 0.000 1.008 242 S HN 2.027 nan 8.310 nan 0.000 0.482 243 A N 5.245 128.034 122.820 -0.052 0.000 1.917 243 A HA -0.160 4.093 4.320 -0.111 0.000 0.219 243 A C 2.053 179.614 177.584 -0.037 0.000 1.182 243 A CA 2.102 54.124 52.037 -0.024 0.000 0.633 243 A CB -0.703 18.319 19.000 0.036 0.000 0.819 243 A HN 0.915 nan 8.150 nan 0.000 0.448 244 R N -0.769 119.708 120.500 -0.038 0.000 2.097 244 R HA -0.180 4.093 4.340 -0.111 0.000 0.236 244 R C 2.055 178.316 176.300 -0.066 0.000 1.135 244 R CA 2.060 58.138 56.100 -0.037 0.000 0.934 244 R CB -0.608 29.667 30.300 -0.043 0.000 0.846 244 R HN 0.418 nan 8.270 nan 0.000 0.431 245 L N 1.406 122.555 121.223 -0.123 0.000 2.079 245 L HA -0.118 4.156 4.340 -0.111 0.000 0.210 245 L C 1.768 178.566 176.870 -0.119 0.000 1.081 245 L CA 1.916 56.663 54.840 -0.155 0.000 0.752 245 L CB -0.683 41.190 42.059 -0.309 0.000 0.896 245 L HN 0.285 nan 8.230 nan 0.000 0.433 246 E N -0.223 119.907 120.200 -0.117 0.000 2.338 246 E HA -0.084 4.200 4.350 -0.111 0.000 0.197 246 E C 2.055 178.610 176.600 -0.076 0.000 1.007 246 E CA 0.966 57.305 56.400 -0.101 0.000 0.849 246 E CB -0.117 29.520 29.700 -0.106 0.000 0.774 246 E HN 0.659 nan 8.360 nan 0.000 0.506 247 A N 0.740 123.526 122.820 -0.057 0.000 1.935 247 A HA -0.079 4.174 4.320 -0.111 0.000 0.214 247 A C 1.985 179.551 177.584 -0.031 0.000 1.178 247 A CA 0.706 52.722 52.037 -0.035 0.000 0.640 247 A CB -0.051 18.940 19.000 -0.016 0.000 0.825 247 A HN 0.136 nan 8.150 nan 0.000 0.447 248 E N 0.265 120.446 120.200 -0.032 0.000 2.005 248 E HA -0.105 4.178 4.350 -0.111 0.000 0.191 248 E C 1.831 178.415 176.600 -0.026 0.000 0.987 248 E CA 1.158 57.547 56.400 -0.019 0.000 0.814 248 E CB -0.422 29.275 29.700 -0.005 0.000 0.772 248 E HN 0.508 nan 8.360 nan 0.000 0.453 249 L N 1.315 122.515 121.223 -0.038 0.000 2.171 249 L HA -0.332 3.941 4.340 -0.111 0.000 0.216 249 L C 2.581 179.426 176.870 -0.041 0.000 1.084 249 L CA 1.180 55.995 54.840 -0.041 0.000 0.771 249 L CB -0.870 41.153 42.059 -0.060 0.000 0.890 249 L HN 0.187 nan 8.230 nan 0.000 0.437 250 A N 0.110 122.902 122.820 -0.047 0.000 1.909 250 A HA -0.335 3.918 4.320 -0.111 0.000 0.221 250 A C 2.224 179.787 177.584 -0.034 0.000 1.223 250 A CA 2.624 54.633 52.037 -0.047 0.000 0.658 250 A CB -0.580 18.393 19.000 -0.045 0.000 0.831 250 A HN 0.586 nan 8.150 nan 0.000 0.462 251 E N -0.653 119.532 120.200 -0.025 0.000 2.140 251 E HA 0.192 4.475 4.350 -0.111 0.000 0.191 251 E C 0.328 176.919 176.600 -0.015 0.000 0.973 251 E CA -0.186 56.203 56.400 -0.018 0.000 0.829 251 E CB -0.191 29.501 29.700 -0.012 0.000 0.781 251 E HN 0.618 nan 8.360 nan 0.000 0.466 252 L N 2.065 123.280 121.223 -0.014 0.000 2.517 252 L HA -0.052 4.221 4.340 -0.111 0.000 0.294 252 L C 0.798 177.659 176.870 -0.015 0.000 1.264 252 L CA -0.179 54.654 54.840 -0.011 0.000 0.839 252 L CB -0.198 41.856 42.059 -0.008 0.000 1.098 252 L HN 0.120 nan 8.230 nan 0.000 0.525 253 S N 0.531 116.223 115.700 -0.013 0.000 2.632 253 S HA 0.314 4.717 4.470 -0.111 0.000 0.271 253 S C 1.219 175.808 174.600 -0.020 0.000 1.260 253 S CA -0.373 57.818 58.200 -0.016 0.000 1.010 253 S CB 1.511 64.703 63.200 -0.014 0.000 0.965 253 S HN 0.799 nan 8.310 nan 0.000 0.534 254 G N 1.579 110.365 108.800 -0.024 0.000 2.649 254 G HA2 -0.291 3.602 3.960 -0.111 0.000 0.220 254 G HA3 -0.291 3.602 3.960 -0.111 0.000 0.220 254 G C 1.173 176.055 174.900 -0.030 0.000 1.189 254 G CA 1.129 46.212 45.100 -0.030 0.000 0.777 254 G HN 0.828 nan 8.290 nan 0.000 0.602 255 E N 0.276 120.458 120.200 -0.030 0.000 2.268 255 E HA -0.081 4.202 4.350 -0.111 0.000 0.195 255 E C 2.147 178.736 176.600 -0.018 0.000 0.995 255 E CA 0.976 57.360 56.400 -0.027 0.000 0.836 255 E CB -0.120 29.564 29.700 -0.028 0.000 0.763 255 E HN 0.757 nan 8.360 nan 0.000 0.491 256 E N 0.158 120.349 120.200 -0.015 0.000 2.276 256 E HA 0.064 4.347 4.350 -0.111 0.000 0.193 256 E C 1.838 178.436 176.600 -0.004 0.000 0.983 256 E CA 0.522 56.917 56.400 -0.008 0.000 0.861 256 E CB 0.191 29.887 29.700 -0.008 0.000 0.817 256 E HN 0.164 nan 8.360 nan 0.000 0.485 257 A N 0.904 123.718 122.820 -0.010 0.000 1.930 257 A HA -0.063 4.191 4.320 -0.111 0.000 0.215 257 A C 2.052 179.632 177.584 -0.006 0.000 1.176 257 A CA 0.929 52.960 52.037 -0.009 0.000 0.632 257 A CB -0.264 18.724 19.000 -0.021 0.000 0.819 257 A HN 0.065 nan 8.150 nan 0.000 0.445 258 R N 1.144 121.636 120.500 -0.013 0.000 2.115 258 R HA -0.247 4.026 4.340 -0.111 0.000 0.239 258 R C 2.104 178.404 176.300 -0.001 0.000 1.133 258 R CA 2.596 58.688 56.100 -0.013 0.000 0.935 258 R CB -0.632 29.655 30.300 -0.022 0.000 0.853 258 R HN 0.794 nan 8.270 nan 0.000 0.433 259 E N -0.149 120.051 120.200 0.001 0.000 2.023 259 E HA -0.243 4.040 4.350 -0.111 0.000 0.196 259 E C 1.957 178.576 176.600 0.031 0.000 1.003 259 E CA 1.429 57.835 56.400 0.009 0.000 0.809 259 E CB -0.820 28.881 29.700 0.002 0.000 0.755 259 E HN 0.282 nan 8.360 nan 0.000 0.449 260 L N 1.124 122.373 121.223 0.043 0.000 2.081 260 L HA -0.139 4.135 4.340 -0.111 0.000 0.212 260 L C 2.200 179.158 176.870 0.147 0.000 1.080 260 L CA 1.589 56.487 54.840 0.097 0.000 0.754 260 L CB -0.551 41.564 42.059 0.093 0.000 0.893 260 L HN 0.284 nan 8.230 nan 0.000 0.433 261 L N -1.119 120.147 121.223 0.072 0.000 2.109 261 L HA -0.117 4.156 4.340 -0.111 0.000 0.207 261 L C 2.601 179.519 176.870 0.079 0.000 1.086 261 L CA 0.990 55.864 54.840 0.057 0.000 0.760 261 L CB -0.678 41.385 42.059 0.006 0.000 0.910 261 L HN 0.370 nan 8.230 nan 0.000 0.437 262 A N 0.059 122.910 122.820 0.053 0.000 1.877 262 A HA -0.202 4.052 4.320 -0.111 0.000 0.216 262 A C 2.510 180.124 177.584 0.049 0.000 1.186 262 A CA 1.695 53.754 52.037 0.036 0.000 0.620 262 A CB -0.852 18.157 19.000 0.015 0.000 0.822 262 A HN 0.396 nan 8.150 nan 0.000 0.443 263 A N -0.612 122.241 122.820 0.055 0.000 1.870 263 A HA -0.240 4.013 4.320 -0.111 0.000 0.219 263 A C 1.819 179.409 177.584 0.010 0.000 1.286 263 A CA 2.027 54.068 52.037 0.007 0.000 0.682 263 A CB -1.332 17.680 19.000 0.020 0.000 0.844 263 A HN 0.680 nan 8.150 nan 0.000 0.460 264 Y N 0.399 120.683 120.300 -0.026 0.000 2.488 264 Y HA 0.365 4.850 4.550 -0.108 0.000 0.319 264 Y C 1.729 177.614 175.900 -0.024 0.000 1.212 264 Y CA -0.186 57.897 58.100 -0.027 0.000 1.273 264 Y CB -1.101 37.339 38.460 -0.034 0.000 1.074 264 Y HN 0.573 nan 8.280 nan 0.000 0.503 265 G N 1.308 110.181 108.800 0.121 0.000 2.393 265 G HA2 -0.278 3.615 3.960 -0.111 0.000 0.299 265 G HA3 -0.278 3.615 3.960 -0.111 0.000 0.299 265 G C -0.388 174.542 174.900 0.050 0.000 0.990 265 G CA 0.101 45.239 45.100 0.064 0.000 1.118 265 G HN 0.386 nan 8.290 nan 0.000 0.513 266 L N -0.984 120.265 121.223 0.043 0.000 2.346 266 L HA 0.492 4.765 4.340 -0.111 0.000 0.276 266 L C 0.986 177.856 176.870 -0.000 0.000 1.006 266 L CA -1.076 53.770 54.840 0.010 0.000 0.817 266 L CB 1.884 43.932 42.059 -0.018 0.000 1.272 266 L HN 0.160 nan 8.230 nan 0.000 0.421 267 Q N 1.131 120.927 119.800 -0.006 0.000 2.403 267 Q HA 0.153 4.426 4.340 -0.111 0.000 0.203 267 Q C -0.338 175.651 176.000 -0.019 0.000 0.932 267 Q CA 0.758 56.555 55.803 -0.010 0.000 0.945 267 Q CB 0.452 29.186 28.738 -0.007 0.000 1.045 267 Q HN 0.607 nan 8.270 nan 0.000 0.511 268 E N -0.834 119.351 120.200 -0.025 0.000 2.292 268 E HA 0.350 4.633 4.350 -0.111 0.000 0.272 268 E C -1.426 175.146 176.600 -0.046 0.000 0.881 268 E CA -0.497 55.883 56.400 -0.032 0.000 0.754 268 E CB 1.738 31.422 29.700 -0.028 0.000 1.201 268 E HN 0.142 nan 8.360 nan 0.000 0.425 269 S N 1.799 117.468 115.700 -0.052 0.000 2.573 269 S HA 0.111 4.514 4.470 -0.111 0.000 0.277 269 S C 1.317 175.871 174.600 -0.076 0.000 1.346 269 S CA 0.427 58.585 58.200 -0.070 0.000 1.034 269 S CB 1.021 64.178 63.200 -0.071 0.000 0.879 269 S HN 0.715 nan 8.310 nan 0.000 0.528 270 G N 3.077 111.820 108.800 -0.096 0.000 2.442 270 G HA2 -0.125 3.768 3.960 -0.111 0.000 0.219 270 G HA3 -0.125 3.768 3.960 -0.111 0.000 0.219 270 G C 1.341 176.188 174.900 -0.088 0.000 1.141 270 G CA 0.849 45.894 45.100 -0.092 0.000 0.763 270 G HN 0.700 nan 8.290 nan 0.000 0.554 271 L N -0.285 120.870 121.223 -0.113 0.000 1.989 271 L HA -0.149 4.124 4.340 -0.111 0.000 0.211 271 L C 3.256 180.073 176.870 -0.088 0.000 1.071 271 L CA 1.295 56.047 54.840 -0.146 0.000 0.749 271 L CB -0.516 41.431 42.059 -0.186 0.000 0.890 271 L HN 0.225 nan 8.230 nan 0.000 0.431 272 Q N -0.099 119.665 119.800 -0.061 0.000 2.096 272 Q HA -0.288 3.986 4.340 -0.111 0.000 0.208 272 Q C 2.218 178.213 176.000 -0.008 0.000 0.993 272 Q CA 1.769 57.555 55.803 -0.028 0.000 0.862 272 Q CB -0.412 28.304 28.738 -0.035 0.000 0.915 272 Q HN 0.365 nan 8.270 nan 0.000 0.416 273 R N 0.338 120.827 120.500 -0.019 0.000 2.136 273 R HA -0.211 4.063 4.340 -0.111 0.000 0.242 273 R C 2.416 178.736 176.300 0.032 0.000 1.131 273 R CA 1.882 57.981 56.100 -0.002 0.000 0.937 273 R CB -0.733 29.559 30.300 -0.014 0.000 0.863 273 R HN 0.298 nan 8.270 nan 0.000 0.435 274 L N -0.218 121.025 121.223 0.034 0.000 2.046 274 L HA -0.091 4.182 4.340 -0.111 0.000 0.208 274 L C 2.155 179.163 176.870 0.231 0.000 1.077 274 L CA 2.091 56.992 54.840 0.100 0.000 0.747 274 L CB -0.478 41.594 42.059 0.022 0.000 0.896 274 L HN 0.268 nan 8.230 nan 0.000 0.432 275 A N 0.056 123.006 122.820 0.217 0.000 2.076 275 A HA -0.197 4.056 4.320 -0.111 0.000 0.220 275 A C 2.270 179.964 177.584 0.184 0.000 1.160 275 A CA 1.842 54.064 52.037 0.309 0.000 0.653 275 A CB -0.573 18.549 19.000 0.203 0.000 0.801 275 A HN 0.652 nan 8.150 nan 0.000 0.455 276 R N -1.039 119.528 120.500 0.111 0.000 2.206 276 R HA 0.304 4.577 4.340 -0.111 0.000 0.198 276 R C 2.218 178.598 176.300 0.133 0.000 0.986 276 R CA 0.791 56.942 56.100 0.085 0.000 1.029 276 R CB -0.308 30.003 30.300 0.018 0.000 0.966 276 R HN 0.364 nan 8.270 nan 0.000 0.487 277 A N 1.721 124.612 122.820 0.118 0.000 2.014 277 A HA 0.036 4.289 4.320 -0.111 0.000 0.218 277 A C 2.257 179.909 177.584 0.113 0.000 1.163 277 A CA 1.388 53.486 52.037 0.102 0.000 0.652 277 A CB -0.835 18.221 19.000 0.093 0.000 0.808 277 A HN 0.402 nan 8.150 nan 0.000 0.449 278 G N -1.284 107.607 108.800 0.152 0.000 2.524 278 G HA2 -0.264 3.629 3.960 -0.111 0.000 0.215 278 G HA3 -0.264 3.629 3.960 -0.111 0.000 0.215 278 G C 1.428 176.380 174.900 0.086 0.000 1.239 278 G CA 1.169 46.325 45.100 0.094 0.000 0.798 278 G HN 0.429 nan 8.290 nan 0.000 0.557 279 Y N 1.503 121.788 120.300 -0.024 0.000 2.108 279 Y HA -0.297 4.181 4.550 -0.120 0.000 0.274 279 Y C 3.138 179.022 175.900 -0.028 0.000 1.229 279 Y CA 2.457 60.536 58.100 -0.035 0.000 1.129 279 Y CB -0.189 38.254 38.460 -0.027 0.000 0.946 279 Y HN 0.107 nan 8.280 nan 0.000 0.509 280 R N -0.850 119.733 120.500 0.139 0.000 2.070 280 R HA -0.182 4.091 4.340 -0.111 0.000 0.232 280 R C 2.554 178.848 176.300 -0.010 0.000 1.138 280 R CA 1.238 57.373 56.100 0.058 0.000 0.936 280 R CB -0.897 29.442 30.300 0.066 0.000 0.839 280 R HN 0.396 nan 8.270 nan 0.000 0.429 281 A N 1.481 124.300 122.820 -0.002 0.000 1.940 281 A HA -0.181 4.072 4.320 -0.111 0.000 0.221 281 A C 1.968 179.515 177.584 -0.062 0.000 1.190 281 A CA 1.538 53.560 52.037 -0.025 0.000 0.647 281 A CB -0.756 18.237 19.000 -0.012 0.000 0.821 281 A HN 0.258 nan 8.150 nan 0.000 0.457 282 L N -0.862 120.300 121.223 -0.103 0.000 2.645 282 L HA 0.037 4.310 4.340 -0.111 0.000 0.235 282 L C 0.694 177.461 176.870 -0.170 0.000 1.150 282 L CA 0.662 55.417 54.840 -0.141 0.000 0.911 282 L CB -0.984 40.964 42.059 -0.185 0.000 1.077 282 L HN 0.540 nan 8.230 nan 0.000 0.438 283 D N 0.889 121.204 120.400 -0.141 0.000 2.737 283 D HA -0.223 4.350 4.640 -0.111 0.000 0.233 283 D C 0.084 176.262 176.300 -0.202 0.000 1.155 283 D CA 0.590 54.513 54.000 -0.127 0.000 0.667 283 D CB -0.742 40.005 40.800 -0.088 0.000 1.060 283 D HN 0.274 nan 8.370 nan 0.000 0.427 284 L N -0.667 120.322 121.223 -0.390 0.000 2.468 284 L HA 0.604 4.877 4.340 -0.111 0.000 0.254 284 L C 0.608 177.225 176.870 -0.423 0.000 1.171 284 L CA -0.816 53.678 54.840 -0.576 0.000 0.809 284 L CB 0.703 42.084 42.059 -1.129 0.000 1.155 284 L HN 0.267 nan 8.230 nan 0.000 0.473 285 L N -1.497 119.594 121.223 -0.220 0.000 2.568 285 L HA 0.721 4.995 4.340 -0.111 0.000 0.257 285 L C -0.723 176.220 176.870 0.123 0.000 1.024 285 L CA -0.457 54.425 54.840 0.070 0.000 0.854 285 L CB 1.701 43.791 42.059 0.052 0.000 1.460 285 L HN 0.429 nan 8.230 nan 0.000 0.409 286 T N 0.634 115.250 114.554 0.102 0.000 2.932 286 T HA 0.887 5.170 4.350 -0.111 0.000 0.289 286 T C -0.920 173.730 174.700 -0.083 0.000 1.039 286 T CA -0.227 61.815 62.100 -0.097 0.000 1.024 286 T CB 1.640 70.311 68.868 -0.328 0.000 1.090 286 T HN 0.982 nan 8.240 nan 0.000 0.496 287 F N 0.223 120.023 119.950 -0.251 0.000 2.615 287 F HA 0.795 5.255 4.527 -0.111 0.000 0.312 287 F C -2.398 173.365 175.800 -0.063 0.000 1.119 287 F CA -2.319 55.635 58.000 -0.077 0.000 0.979 287 F CB 0.640 39.695 39.000 0.092 0.000 1.266 287 F HN 0.450 nan 8.300 nan 0.000 0.444 288 F N 0.329 120.534 119.950 0.424 0.000 2.598 288 F HA 0.838 5.303 4.527 -0.103 0.000 0.327 288 F C 0.286 176.415 175.800 0.547 0.000 1.057 288 F CA -1.143 57.074 58.000 0.362 0.000 0.957 288 F CB 1.905 41.014 39.000 0.181 0.000 1.278 288 F HN 0.682 nan 8.300 nan 0.000 0.484 289 T N -0.850 114.161 114.554 0.762 0.000 2.855 289 T HA 0.885 5.168 4.350 -0.111 0.000 0.281 289 T C -0.838 174.106 174.700 0.407 0.000 1.007 289 T CA -0.751 61.713 62.100 0.606 0.000 1.009 289 T CB 1.597 70.820 68.868 0.592 0.000 0.983 289 T HN 1.034 nan 8.240 nan 0.000 0.455 290 A N 1.335 124.339 122.820 0.307 0.000 2.437 290 A HA 0.922 5.175 4.320 -0.111 0.000 0.293 290 A C -0.008 177.396 177.584 -0.299 0.000 1.038 290 A CA -0.384 51.618 52.037 -0.058 0.000 0.708 290 A CB 1.450 20.351 19.000 -0.166 0.000 1.251 290 A HN 1.438 nan 8.150 nan 0.000 0.409 291 G N -0.179 108.341 108.800 -0.466 0.000 2.911 291 G HA2 0.550 4.443 3.960 -0.111 0.000 0.299 291 G HA3 0.550 4.443 3.960 -0.111 0.000 0.299 291 G C -0.135 174.624 174.900 -0.235 0.000 1.283 291 G CA -0.359 44.534 45.100 -0.345 0.000 0.805 291 G HN 0.540 nan 8.290 nan 0.000 0.548 292 E N -0.475 119.780 120.200 0.090 0.000 2.442 292 E HA 0.050 4.333 4.350 -0.111 0.000 0.195 292 E C 1.417 178.093 176.600 0.127 0.000 1.030 292 E CA 0.419 56.943 56.400 0.206 0.000 0.869 292 E CB 0.310 30.141 29.700 0.218 0.000 0.857 292 E HN 0.377 nan 8.360 nan 0.000 0.505 293 K N 0.480 120.931 120.400 0.086 0.000 2.354 293 K HA 0.165 4.418 4.320 -0.111 0.000 0.194 293 K C 0.434 177.074 176.600 0.067 0.000 1.038 293 K CA 0.201 56.535 56.287 0.079 0.000 1.052 293 K CB 1.013 33.561 32.500 0.080 0.000 0.861 293 K HN -0.056 nan 8.250 nan 0.000 0.535 294 E N 0.161 120.390 120.200 0.048 0.000 2.393 294 E HA 0.187 4.471 4.350 -0.111 0.000 0.282 294 E C -1.900 174.705 176.600 0.008 0.000 1.096 294 E CA -0.519 55.904 56.400 0.038 0.000 0.866 294 E CB 1.733 31.470 29.700 0.062 0.000 1.232 294 E HN -0.179 nan 8.360 nan 0.000 0.431 295 V N 2.577 122.488 119.914 -0.004 0.000 2.769 295 V HA 0.786 4.840 4.120 -0.111 0.000 0.312 295 V C -0.492 175.599 176.094 -0.005 0.000 1.061 295 V CA -0.543 61.747 62.300 -0.016 0.000 0.931 295 V CB 2.007 33.790 31.823 -0.067 0.000 1.010 295 V HN 0.707 nan 8.190 nan 0.000 0.433 296 R N 2.373 122.911 120.500 0.064 0.000 2.579 296 R HA 0.696 4.969 4.340 -0.111 0.000 0.260 296 R C -1.341 174.896 176.300 -0.104 0.000 1.103 296 R CA -0.319 55.728 56.100 -0.088 0.000 0.942 296 R CB 1.669 31.834 30.300 -0.225 0.000 1.251 296 R HN 0.897 nan 8.270 nan 0.000 0.450 297 A N 3.523 126.161 122.820 -0.304 0.000 2.274 297 A HA 0.593 4.846 4.320 -0.111 0.000 0.309 297 A C -1.556 175.537 177.584 -0.818 0.000 1.226 297 A CA -0.367 51.376 52.037 -0.490 0.000 0.853 297 A CB 0.224 18.998 19.000 -0.376 0.000 1.146 297 A HN 0.601 nan 8.150 nan 0.000 0.518 298 W N 0.698 121.552 121.300 -0.743 0.000 2.689 298 W HA 0.581 5.171 4.660 -0.117 0.000 0.340 298 W C 0.258 176.341 176.519 -0.727 0.000 1.060 298 W CA -0.250 56.613 57.345 -0.803 0.000 1.218 298 W CB 2.167 30.780 29.460 -1.412 0.000 1.410 298 W HN 0.544 nan 8.180 nan 0.000 0.528 299 T N 2.738 117.201 114.554 -0.151 0.000 2.859 299 T HA 0.669 4.952 4.350 -0.111 0.000 0.281 299 T C -0.744 173.979 174.700 0.039 0.000 1.005 299 T CA -0.459 61.609 62.100 -0.052 0.000 1.025 299 T CB 0.913 69.761 68.868 -0.034 0.000 0.977 299 T HN 0.416 nan 8.240 nan 0.000 0.458 300 V N 1.879 121.815 119.914 0.036 0.000 3.178 300 V HA 0.687 4.740 4.120 -0.111 0.000 0.302 300 V C -1.111 174.951 176.094 -0.055 0.000 1.262 300 V CA -1.618 60.703 62.300 0.035 0.000 1.030 300 V CB 1.996 33.897 31.823 0.130 0.000 1.074 300 V HN 0.867 nan 8.190 nan 0.000 0.438 301 R N 1.928 122.384 120.500 -0.073 0.000 2.340 301 R HA 0.481 4.754 4.340 -0.111 0.000 0.300 301 R C 0.304 176.555 176.300 -0.082 0.000 1.069 301 R CA -0.675 55.361 56.100 -0.106 0.000 0.984 301 R CB 0.872 31.112 30.300 -0.099 0.000 1.003 301 R HN 0.888 nan 8.270 nan 0.000 0.459 302 R N 1.389 121.837 120.500 -0.087 0.000 2.566 302 R HA -0.090 4.184 4.340 -0.111 0.000 0.273 302 R C 0.604 176.861 176.300 -0.072 0.000 0.981 302 R CA 1.794 57.855 56.100 -0.065 0.000 1.091 302 R CB 0.031 30.297 30.300 -0.056 0.000 0.924 302 R HN 0.976 nan 8.270 nan 0.000 0.411 303 G N 2.221 110.972 108.800 -0.081 0.000 2.307 303 G HA2 -0.245 3.648 3.960 -0.111 0.000 0.210 303 G HA3 -0.245 3.648 3.960 -0.111 0.000 0.210 303 G C 0.093 174.926 174.900 -0.112 0.000 1.005 303 G CA 0.059 45.105 45.100 -0.090 0.000 0.634 303 G HN 0.710 nan 8.290 nan 0.000 0.496 304 T N 2.504 116.993 114.554 -0.108 0.000 2.946 304 T HA 0.381 4.664 4.350 -0.111 0.000 0.312 304 T C 0.485 175.073 174.700 -0.186 0.000 1.066 304 T CA 0.720 62.744 62.100 -0.126 0.000 1.138 304 T CB 0.993 69.802 68.868 -0.097 0.000 1.014 304 T HN 0.429 nan 8.240 nan 0.000 0.544 305 K N 1.025 121.302 120.400 -0.205 0.000 2.123 305 K HA 0.572 4.826 4.320 -0.111 0.000 0.248 305 K C 1.493 177.906 176.600 -0.311 0.000 0.969 305 K CA -0.611 55.524 56.287 -0.254 0.000 0.882 305 K CB 1.098 33.472 32.500 -0.210 0.000 1.080 305 K HN 0.556 nan 8.250 nan 0.000 0.441 306 A N 3.094 125.733 122.820 -0.302 0.000 1.954 306 A HA -0.183 4.071 4.320 -0.111 0.000 0.222 306 A C -0.908 176.306 177.584 -0.618 0.000 1.199 306 A CA 1.923 53.771 52.037 -0.314 0.000 0.657 306 A CB -1.364 17.619 19.000 -0.027 0.000 0.823 306 A HN 0.601 nan 8.150 nan 0.000 0.463 307 P HA -0.027 nan 4.420 nan 0.000 0.219 307 P C 1.659 178.711 177.300 -0.414 0.000 1.154 307 P CA 0.974 63.540 63.100 -0.891 0.000 0.826 307 P CB -0.097 31.000 31.700 -1.006 0.000 0.795 308 R N 0.334 120.644 120.500 -0.318 0.000 2.105 308 R HA -0.147 4.126 4.340 -0.111 0.000 0.239 308 R C 1.982 178.169 176.300 -0.188 0.000 1.135 308 R CA 1.646 57.623 56.100 -0.205 0.000 0.967 308 R CB -0.793 29.413 30.300 -0.157 0.000 0.861 308 R HN 0.062 nan 8.270 nan 0.000 0.442 309 A N 0.801 123.469 122.820 -0.254 0.000 1.865 309 A HA -0.140 4.113 4.320 -0.111 0.000 0.217 309 A C 2.361 179.759 177.584 -0.310 0.000 1.191 309 A CA 1.770 53.630 52.037 -0.296 0.000 0.623 309 A CB -0.918 17.715 19.000 -0.613 0.000 0.826 309 A HN 0.512 nan 8.150 nan 0.000 0.444 310 A N -0.477 122.148 122.820 -0.326 0.000 2.084 310 A HA 0.075 4.328 4.320 -0.111 0.000 0.221 310 A C 2.348 179.810 177.584 -0.203 0.000 1.161 310 A CA 1.943 53.839 52.037 -0.236 0.000 0.653 310 A CB -1.440 17.514 19.000 -0.078 0.000 0.802 310 A HN 0.830 nan 8.150 nan 0.000 0.457 311 G N 0.067 108.763 108.800 -0.173 0.000 2.529 311 G HA2 -0.312 3.581 3.960 -0.111 0.000 0.219 311 G HA3 -0.312 3.581 3.960 -0.111 0.000 0.219 311 G C 1.355 176.178 174.900 -0.127 0.000 1.177 311 G CA 1.110 46.131 45.100 -0.132 0.000 0.773 311 G HN 0.567 nan 8.290 nan 0.000 0.573 312 E N 0.699 120.839 120.200 -0.100 0.000 2.021 312 E HA -0.183 4.100 4.350 -0.111 0.000 0.200 312 E C 2.632 179.116 176.600 -0.194 0.000 1.015 312 E CA 1.218 57.584 56.400 -0.057 0.000 0.824 312 E CB -0.541 29.212 29.700 0.087 0.000 0.762 312 E HN 0.560 nan 8.360 nan 0.000 0.454 313 I N -0.428 119.761 120.570 -0.635 0.000 2.068 313 I HA -0.244 3.859 4.170 -0.111 0.000 0.238 313 I C 1.732 177.757 176.117 -0.155 0.000 1.046 313 I CA 1.560 62.419 61.300 -0.736 0.000 1.306 313 I CB -0.249 37.345 38.000 -0.677 0.000 1.023 313 I HN 0.169 nan 8.210 nan 0.000 0.399 314 H N -1.041 117.886 119.070 -0.239 0.000 3.042 314 H HA 0.179 4.669 4.556 -0.110 0.000 0.346 314 H C 0.445 175.644 175.328 -0.216 0.000 1.294 314 H CA 0.053 55.991 56.048 -0.183 0.000 1.141 314 H CB 1.778 31.416 29.762 -0.207 0.000 1.872 314 H HN 0.010 nan 8.280 nan 0.000 0.541 315 S N 0.982 116.699 115.700 0.028 0.000 2.425 315 S HA -0.081 4.322 4.470 -0.111 0.000 0.225 315 S C 0.939 175.589 174.600 0.084 0.000 1.024 315 S CA 0.889 59.118 58.200 0.048 0.000 0.951 315 S CB 0.159 63.322 63.200 -0.060 0.000 0.796 315 S HN 0.572 nan 8.310 nan 0.000 0.498 316 D N 1.883 122.380 120.400 0.162 0.000 2.221 316 D HA -0.037 4.536 4.640 -0.111 0.000 0.204 316 D C 1.815 177.858 176.300 -0.429 0.000 0.982 316 D CA 1.058 54.925 54.000 -0.222 0.000 0.857 316 D CB -0.278 40.229 40.800 -0.488 0.000 0.934 316 D HN 0.484 nan 8.370 nan 0.000 0.475 317 M N 0.142 119.416 119.600 -0.543 0.000 2.200 317 M HA -0.100 4.313 4.480 -0.111 0.000 0.265 317 M C 2.230 178.468 176.300 -0.103 0.000 1.066 317 M CA 1.050 56.022 55.300 -0.547 0.000 1.127 317 M CB -0.093 32.228 32.600 -0.465 0.000 1.379 317 M HN -0.038 nan 8.290 nan 0.000 0.420 318 E N 1.213 121.363 120.200 -0.083 0.000 2.051 318 E HA -0.211 4.072 4.350 -0.111 0.000 0.189 318 E C 1.988 178.603 176.600 0.025 0.000 0.979 318 E CA 1.233 57.610 56.400 -0.038 0.000 0.803 318 E CB 0.123 29.767 29.700 -0.094 0.000 0.761 318 E HN 0.430 nan 8.360 nan 0.000 0.451 319 R N 0.029 120.531 120.500 0.003 0.000 2.148 319 R HA 0.029 4.302 4.340 -0.111 0.000 0.223 319 R C 1.873 178.219 176.300 0.076 0.000 1.088 319 R CA 1.592 57.711 56.100 0.031 0.000 0.985 319 R CB -1.036 29.272 30.300 0.013 0.000 0.880 319 R HN 0.121 nan 8.270 nan 0.000 0.451 320 G N -0.228 108.626 108.800 0.090 0.000 3.284 320 G HA2 0.034 3.927 3.960 -0.111 0.000 0.236 320 G HA3 0.034 3.927 3.960 -0.111 0.000 0.236 320 G C -0.612 174.417 174.900 0.216 0.000 1.158 320 G CA -0.668 44.526 45.100 0.156 0.000 0.774 320 G HN 0.313 nan 8.290 nan 0.000 0.545 321 F N 1.664 121.642 119.950 0.048 0.000 2.519 321 F HA 0.193 4.655 4.527 -0.109 0.000 0.381 321 F C 1.211 177.033 175.800 0.037 0.000 1.076 321 F CA -0.208 57.819 58.000 0.046 0.000 1.095 321 F CB 0.462 39.458 39.000 -0.007 0.000 1.046 321 F HN 0.019 nan 8.300 nan 0.000 0.559 322 I N 4.695 124.988 120.570 -0.462 0.000 2.512 322 I HA 0.139 4.243 4.170 -0.111 0.000 0.247 322 I C 0.653 176.340 176.117 -0.718 0.000 1.094 322 I CA 0.385 61.454 61.300 -0.385 0.000 1.427 322 I CB -0.164 37.689 38.000 -0.246 0.000 1.149 322 I HN 0.446 nan 8.210 nan 0.000 0.438 323 R N -0.298 119.543 120.500 -1.098 0.000 2.741 323 R HA 0.703 4.976 4.340 -0.111 0.000 0.276 323 R C -1.734 174.195 176.300 -0.618 0.000 1.028 323 R CA -0.737 54.818 56.100 -0.909 0.000 0.865 323 R CB 1.571 31.686 30.300 -0.309 0.000 1.268 323 R HN 0.056 nan 8.270 nan 0.000 0.475 324 A N 1.031 123.773 122.820 -0.130 0.000 2.371 324 A HA 0.540 4.793 4.320 -0.111 0.000 0.311 324 A C -0.978 176.643 177.584 0.062 0.000 1.068 324 A CA -0.579 51.489 52.037 0.053 0.000 0.744 324 A CB 1.523 20.692 19.000 0.281 0.000 1.239 324 A HN 0.647 nan 8.150 nan 0.000 0.435 325 E N 0.554 120.812 120.200 0.097 0.000 2.283 325 E HA 0.568 4.851 4.350 -0.111 0.000 0.278 325 E C -0.992 175.728 176.600 0.199 0.000 1.027 325 E CA -0.206 56.264 56.400 0.117 0.000 0.843 325 E CB 1.602 31.355 29.700 0.088 0.000 1.062 325 E HN 0.428 nan 8.360 nan 0.000 0.401 326 V N 4.421 124.447 119.914 0.185 0.000 2.971 326 V HA 0.572 4.625 4.120 -0.111 0.000 0.309 326 V C -0.745 175.479 176.094 0.217 0.000 1.130 326 V CA -0.848 61.582 62.300 0.217 0.000 0.964 326 V CB 2.156 34.002 31.823 0.038 0.000 1.029 326 V HN 0.642 nan 8.190 nan 0.000 0.427 327 I N 3.952 124.669 120.570 0.245 0.000 2.741 327 I HA 0.443 4.546 4.170 -0.111 0.000 0.288 327 I C -2.850 173.340 176.117 0.121 0.000 1.482 327 I CA -1.796 59.593 61.300 0.147 0.000 1.050 327 I CB 3.152 41.245 38.000 0.155 0.000 1.388 327 I HN 0.463 nan 8.210 nan 0.000 0.428 328 P HA -0.044 nan 4.420 nan 0.000 0.264 328 P C 0.955 178.205 177.300 -0.084 0.000 1.193 328 P CA 0.169 63.282 63.100 0.022 0.000 0.763 328 P CB 0.131 31.765 31.700 -0.109 0.000 0.810 329 W N 6.463 127.817 121.300 0.089 0.000 2.275 329 W HA -0.295 4.302 4.660 -0.106 0.000 0.321 329 W C 0.965 177.460 176.519 -0.039 0.000 1.269 329 W CA 2.218 59.562 57.345 -0.001 0.000 1.274 329 W CB -2.032 27.403 29.460 -0.041 0.000 1.141 329 W HN 0.345 nan 8.180 nan 0.000 0.493 330 D N 1.411 120.722 120.400 -1.816 0.000 2.108 330 D HA -0.290 4.284 4.640 -0.111 0.000 0.190 330 D C 1.797 177.733 176.300 -0.606 0.000 0.995 330 D CA 2.204 55.336 54.000 -1.446 0.000 0.834 330 D CB -1.017 38.992 40.800 -1.318 0.000 0.967 330 D HN 0.069 nan 8.370 nan 0.000 0.446 331 K N 0.556 120.645 120.400 -0.518 0.000 2.034 331 K HA -0.160 4.093 4.320 -0.111 0.000 0.214 331 K C 2.411 178.987 176.600 -0.040 0.000 1.051 331 K CA 0.693 56.741 56.287 -0.398 0.000 0.931 331 K CB -1.266 30.887 32.500 -0.578 0.000 0.715 331 K HN 0.260 nan 8.250 nan 0.000 0.446 332 L N 1.215 122.383 121.223 -0.092 0.000 2.081 332 L HA -0.150 4.123 4.340 -0.111 0.000 0.212 332 L C 2.218 179.034 176.870 -0.091 0.000 1.080 332 L CA 1.357 56.142 54.840 -0.091 0.000 0.754 332 L CB -0.340 41.601 42.059 -0.197 0.000 0.893 332 L HN -0.056 nan 8.230 nan 0.000 0.433 333 V N -0.344 119.511 119.914 -0.097 0.000 2.323 333 V HA -0.264 3.789 4.120 -0.111 0.000 0.244 333 V C 2.555 178.616 176.094 -0.055 0.000 1.041 333 V CA 1.827 64.082 62.300 -0.075 0.000 1.025 333 V CB -0.436 31.372 31.823 -0.024 0.000 0.656 333 V HN 0.625 nan 8.190 nan 0.000 0.451 334 E N 0.132 120.312 120.200 -0.034 0.000 2.219 334 E HA -0.238 4.045 4.350 -0.111 0.000 0.198 334 E C 1.965 178.618 176.600 0.090 0.000 0.998 334 E CA 1.440 57.867 56.400 0.045 0.000 0.818 334 E CB -0.148 29.613 29.700 0.101 0.000 0.741 334 E HN 0.599 nan 8.360 nan 0.000 0.477 335 A N -0.529 122.360 122.820 0.115 0.000 2.132 335 A HA 0.274 4.528 4.320 -0.111 0.000 0.213 335 A C 1.909 179.440 177.584 -0.090 0.000 1.154 335 A CA 1.023 53.063 52.037 0.006 0.000 0.753 335 A CB -0.088 18.934 19.000 0.036 0.000 0.826 335 A HN 0.494 nan 8.150 nan 0.000 0.469 336 G N -2.820 105.904 108.800 -0.127 0.000 2.194 336 G HA2 0.286 4.179 3.960 -0.111 0.000 0.236 336 G HA3 0.286 4.179 3.960 -0.111 0.000 0.236 336 G C 1.011 175.721 174.900 -0.316 0.000 0.987 336 G CA 0.410 45.393 45.100 -0.196 0.000 0.635 336 G HN 2.233 nan 8.290 nan 0.000 0.520 337 G N -2.777 105.842 108.800 -0.302 0.000 2.337 337 G HA2 0.375 4.268 3.960 -0.111 0.000 0.298 337 G HA3 0.375 4.268 3.960 -0.111 0.000 0.298 337 G C 0.299 175.135 174.900 -0.106 0.000 1.335 337 G CA 0.256 45.149 45.100 -0.344 0.000 0.875 337 G HN 0.477 nan 8.290 nan 0.000 0.579 338 W N 0.345 121.742 121.300 0.161 0.000 2.309 338 W HA 0.139 4.731 4.660 -0.113 0.000 0.326 338 W C 3.060 179.607 176.519 0.047 0.000 1.222 338 W CA 2.921 60.344 57.345 0.129 0.000 1.237 338 W CB -0.646 28.879 29.460 0.109 0.000 1.180 338 W HN 0.901 nan 8.180 nan 0.000 0.456 339 A N 0.991 123.986 122.820 0.292 0.000 1.906 339 A HA -0.349 3.904 4.320 -0.111 0.000 0.222 339 A C 1.956 179.571 177.584 0.051 0.000 1.282 339 A CA 2.996 55.111 52.037 0.129 0.000 0.675 339 A CB -1.181 17.868 19.000 0.082 0.000 0.838 339 A HN 0.415 nan 8.150 nan 0.000 0.469 340 R N -0.813 119.689 120.500 0.004 0.000 2.096 340 R HA -0.063 4.210 4.340 -0.111 0.000 0.235 340 R C 2.470 178.692 176.300 -0.129 0.000 1.127 340 R CA 1.252 57.304 56.100 -0.080 0.000 0.968 340 R CB -0.684 29.552 30.300 -0.106 0.000 0.861 340 R HN 0.558 nan 8.270 nan 0.000 0.440 341 A N 1.832 124.630 122.820 -0.036 0.000 1.940 341 A HA -0.204 4.049 4.320 -0.111 0.000 0.219 341 A C 2.030 179.634 177.584 0.033 0.000 1.176 341 A CA 1.523 53.579 52.037 0.032 0.000 0.631 341 A CB -0.267 18.832 19.000 0.166 0.000 0.814 341 A HN 0.212 nan 8.150 nan 0.000 0.446 342 K N -0.268 120.176 120.400 0.073 0.000 2.097 342 K HA -0.102 4.151 4.320 -0.111 0.000 0.205 342 K C 1.909 178.488 176.600 -0.035 0.000 1.050 342 K CA 1.488 57.813 56.287 0.062 0.000 0.938 342 K CB -0.122 32.430 32.500 0.087 0.000 0.718 342 K HN 0.645 nan 8.250 nan 0.000 0.442 343 E N 0.279 120.427 120.200 -0.086 0.000 2.150 343 E HA -0.134 4.149 4.350 -0.111 0.000 0.193 343 E C 1.637 178.098 176.600 -0.232 0.000 0.985 343 E CA 0.654 56.978 56.400 -0.128 0.000 0.814 343 E CB 0.057 29.683 29.700 -0.122 0.000 0.752 343 E HN 0.187 nan 8.360 nan 0.000 0.466 344 R N 0.278 120.533 120.500 -0.409 0.000 2.323 344 R HA 0.028 4.301 4.340 -0.111 0.000 0.198 344 R C 0.772 176.742 176.300 -0.549 0.000 0.988 344 R CA 0.610 56.261 56.100 -0.748 0.000 1.041 344 R CB 0.075 29.414 30.300 -1.601 0.000 0.926 344 R HN 0.192 nan 8.270 nan 0.000 0.476 345 G N 1.230 109.908 108.800 -0.203 0.000 2.359 345 G HA2 -0.189 3.704 3.960 -0.111 0.000 0.298 345 G HA3 -0.189 3.704 3.960 -0.111 0.000 0.298 345 G C -0.107 174.944 174.900 0.252 0.000 1.030 345 G CA 0.080 45.193 45.100 0.023 0.000 1.149 345 G HN 0.426 nan 8.290 nan 0.000 0.512 346 W N -0.852 120.461 121.300 0.021 0.000 2.714 346 W HA 0.366 4.960 4.660 -0.110 0.000 0.353 346 W C 0.434 176.981 176.519 0.046 0.000 0.999 346 W CA -0.798 56.557 57.345 0.018 0.000 1.629 346 W CB 0.141 29.599 29.460 -0.004 0.000 1.106 346 W HN 0.251 nan 8.180 nan 0.000 0.545 347 V N 3.488 123.581 119.914 0.299 0.000 2.304 347 V HA 0.269 4.322 4.120 -0.111 0.000 0.262 347 V C 0.733 176.925 176.094 0.165 0.000 1.061 347 V CA -0.695 61.763 62.300 0.264 0.000 0.872 347 V CB -0.139 31.875 31.823 0.319 0.000 1.077 347 V HN -0.135 nan 8.190 nan 0.000 0.480 348 R N 4.316 124.879 120.500 0.106 0.000 2.641 348 R HA 0.442 4.715 4.340 -0.111 0.000 0.269 348 R C -0.613 175.692 176.300 0.009 0.000 1.074 348 R CA -0.445 55.674 56.100 0.032 0.000 1.133 348 R CB 0.839 31.115 30.300 -0.040 0.000 1.029 348 R HN 0.496 nan 8.270 nan 0.000 0.488 349 L N 2.933 124.150 121.223 -0.009 0.000 2.272 349 L HA 0.285 4.558 4.340 -0.111 0.000 0.289 349 L C 0.015 176.861 176.870 -0.040 0.000 1.032 349 L CA -0.331 54.499 54.840 -0.016 0.000 0.810 349 L CB 1.272 43.325 42.059 -0.010 0.000 1.205 349 L HN 0.495 nan 8.230 nan 0.000 0.422 350 E N 2.384 122.562 120.200 -0.036 0.000 2.227 350 E HA 0.535 4.818 4.350 -0.111 0.000 0.268 350 E C -0.173 176.533 176.600 0.176 0.000 0.907 350 E CA -0.475 55.919 56.400 -0.010 0.000 0.786 350 E CB 2.743 32.306 29.700 -0.229 0.000 1.191 350 E HN 0.680 nan 8.360 nan 0.000 0.411 351 G N 0.740 109.670 108.800 0.217 0.000 2.491 351 G HA2 0.193 4.086 3.960 -0.111 0.000 0.327 351 G HA3 0.193 4.086 3.960 -0.111 0.000 0.327 351 G C 0.706 175.809 174.900 0.339 0.000 1.189 351 G CA -0.427 44.852 45.100 0.299 0.000 0.956 351 G HN 0.450 nan 8.290 nan 0.000 0.491 352 K N -0.349 120.279 120.400 0.380 0.000 2.229 352 K HA -0.219 4.034 4.320 -0.111 0.000 0.211 352 K C 1.059 177.638 176.600 -0.035 0.000 1.044 352 K CA 2.266 58.611 56.287 0.097 0.000 0.935 352 K CB 0.092 32.656 32.500 0.107 0.000 0.732 352 K HN 0.709 nan 8.250 nan 0.000 0.478 353 D N -1.213 119.213 120.400 0.044 0.000 2.772 353 D HA -0.051 4.522 4.640 -0.111 0.000 0.272 353 D C -0.650 175.671 176.300 0.036 0.000 1.314 353 D CA -0.519 53.480 54.000 -0.003 0.000 0.835 353 D CB -0.266 40.531 40.800 -0.005 0.000 1.080 353 D HN 0.088 nan 8.370 nan 0.000 0.482 354 Y N 1.613 121.894 120.300 -0.032 0.000 2.335 354 Y HA 0.244 4.729 4.550 -0.109 0.000 0.331 354 Y C 0.091 175.962 175.900 -0.047 0.000 1.094 354 Y CA -0.714 57.378 58.100 -0.013 0.000 1.253 354 Y CB 0.921 39.397 38.460 0.027 0.000 1.203 354 Y HN -0.096 nan 8.280 nan 0.000 0.508 355 E N 5.980 125.691 120.200 -0.815 0.000 1.941 355 E HA 0.221 4.504 4.350 -0.111 0.000 0.275 355 E C -0.529 175.431 176.600 -1.067 0.000 1.113 355 E CA -0.475 55.498 56.400 -0.712 0.000 0.878 355 E CB 0.514 30.002 29.700 -0.353 0.000 1.070 355 E HN 0.575 nan 8.360 nan 0.000 0.399 356 V N 3.741 123.182 119.914 -0.788 0.000 2.902 356 V HA -0.221 3.832 4.120 -0.111 0.000 0.297 356 V C 0.525 176.528 176.094 -0.153 0.000 1.230 356 V CA 1.043 63.118 62.300 -0.374 0.000 1.344 356 V CB 0.106 31.819 31.823 -0.182 0.000 0.889 356 V HN 0.709 nan 8.190 nan 0.000 0.515 357 Q N 1.529 121.374 119.800 0.075 0.000 2.351 357 Q HA 0.370 4.644 4.340 -0.111 0.000 0.273 357 Q C -0.583 175.531 176.000 0.189 0.000 1.077 357 Q CA -0.960 54.916 55.803 0.122 0.000 0.843 357 Q CB 1.946 30.789 28.738 0.175 0.000 1.367 357 Q HN 0.827 nan 8.270 nan 0.000 0.449 358 D N -0.365 120.133 120.400 0.162 0.000 2.488 358 D HA 0.179 4.752 4.640 -0.111 0.000 0.238 358 D C 1.002 177.464 176.300 0.270 0.000 1.138 358 D CA 2.269 56.377 54.000 0.180 0.000 0.873 358 D CB 0.450 41.341 40.800 0.151 0.000 1.183 358 D HN 0.664 nan 8.370 nan 0.000 0.458 359 G N 3.165 112.147 108.800 0.303 0.000 2.363 359 G HA2 -0.314 3.579 3.960 -0.111 0.000 0.238 359 G HA3 -0.314 3.579 3.960 -0.111 0.000 0.238 359 G C 0.330 175.635 174.900 0.676 0.000 1.062 359 G CA 0.211 45.668 45.100 0.594 0.000 0.629 359 G HN 0.690 nan 8.290 nan 0.000 0.514 360 D N 0.635 121.321 120.400 0.476 0.000 2.667 360 D HA 0.332 4.905 4.640 -0.111 0.000 0.226 360 D C 0.555 177.202 176.300 0.578 0.000 1.137 360 D CA 0.839 55.114 54.000 0.458 0.000 0.855 360 D CB 1.025 42.064 40.800 0.399 0.000 1.194 360 D HN 0.475 nan 8.370 nan 0.000 0.492 361 V N 4.074 124.293 119.914 0.508 0.000 2.448 361 V HA 0.485 4.538 4.120 -0.111 0.000 0.295 361 V C 0.405 176.833 176.094 0.556 0.000 1.025 361 V CA -0.710 61.933 62.300 0.571 0.000 0.859 361 V CB 1.565 33.641 31.823 0.423 0.000 0.988 361 V HN 0.356 nan 8.190 nan 0.000 0.431 362 I N 4.309 125.225 120.570 0.578 0.000 2.545 362 I HA 0.490 4.593 4.170 -0.111 0.000 0.292 362 I C -1.535 174.827 176.117 0.409 0.000 1.040 362 I CA -0.783 60.775 61.300 0.431 0.000 1.068 362 I CB 2.306 40.431 38.000 0.208 0.000 1.251 362 I HN 0.666 nan 8.210 nan 0.000 0.424 363 Y N 6.347 126.723 120.300 0.126 0.000 2.338 363 Y HA 0.617 5.100 4.550 -0.111 0.000 0.333 363 Y C -1.231 174.655 175.900 -0.024 0.000 0.968 363 Y CA -0.723 57.355 58.100 -0.038 0.000 1.123 363 Y CB 1.494 39.747 38.460 -0.344 0.000 1.165 363 Y HN 0.200 nan 8.280 nan 0.000 0.452 364 V N 7.594 127.181 119.914 -0.544 0.000 2.427 364 V HA 0.357 4.411 4.120 -0.111 0.000 0.286 364 V C -0.365 175.497 176.094 -0.388 0.000 1.034 364 V CA -0.778 61.350 62.300 -0.285 0.000 0.893 364 V CB 1.495 33.287 31.823 -0.052 0.000 0.982 364 V HN 0.657 nan 8.190 nan 0.000 0.452 365 L N 6.923 127.984 121.223 -0.269 0.000 2.283 365 L HA 0.554 4.827 4.340 -0.111 0.000 0.281 365 L C -0.351 176.364 176.870 -0.258 0.000 1.033 365 L CA -0.157 54.522 54.840 -0.268 0.000 0.848 365 L CB 0.065 42.004 42.059 -0.200 0.000 1.226 365 L HN 0.697 nan 8.230 nan 0.000 0.429 366 F N 0.698 120.505 119.950 -0.239 0.000 2.671 366 F HA 0.537 4.998 4.527 -0.110 0.000 0.373 366 F C 0.649 176.373 175.800 -0.126 0.000 1.122 366 F CA -0.984 56.909 58.000 -0.178 0.000 1.082 366 F CB 1.192 40.123 39.000 -0.116 0.000 1.399 366 F HN 0.209 nan 8.300 nan 0.000 0.509 367 N N -0.608 118.232 118.700 0.234 0.000 2.517 367 N HA 0.513 5.186 4.740 -0.111 0.000 0.202 367 N C -0.225 175.350 175.510 0.108 0.000 1.042 367 N CA 0.402 53.486 53.050 0.057 0.000 0.952 367 N CB 0.486 39.006 38.487 0.054 0.000 1.211 367 N HN 0.838 nan 8.380 nan 0.000 0.458 368 A N 0.000 122.973 122.820 0.255 0.000 2.254 368 A HA 0.000 4.253 4.320 -0.111 0.000 0.244 368 A CA 0.000 52.142 52.037 0.174 0.000 0.836 368 A CB 0.000 19.044 19.000 0.073 0.000 0.831 368 A HN 0.000 nan 8.150 nan 0.000 0.486