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 3mfm_1_D DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYNVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.341 176.300 0.068 0.000 2.045 10 D CA 0.000 54.035 54.000 0.058 0.000 0.868 10 D CB 0.000 40.840 40.800 0.067 0.000 0.688 11 I N -0.681 119.961 120.570 0.120 0.000 4.811 11 I HA 0.118 4.288 4.170 -0.000 0.000 0.388 11 I C 0.110 176.213 176.117 -0.023 0.000 1.133 11 I CA -0.002 61.321 61.300 0.038 0.000 1.400 11 I CB 0.246 38.244 38.000 -0.003 0.000 2.153 11 I HN 0.221 nan 8.210 nan 0.000 0.695 12 H N 0.470 119.536 119.070 -0.007 0.000 2.539 12 H HA 0.230 4.786 4.556 0.000 0.000 0.267 12 H C 0.777 176.101 175.328 -0.006 0.000 0.982 12 H CA 0.964 57.008 56.048 -0.007 0.000 1.146 12 H CB -0.018 29.741 29.762 -0.005 0.000 1.382 12 H HN 0.269 nan 8.280 nan 0.000 0.577 13 T N -2.811 111.797 114.554 0.089 0.000 2.918 13 T HA 0.175 4.525 4.350 -0.000 0.000 0.286 13 T C 1.734 176.444 174.700 0.017 0.000 1.026 13 T CA -0.185 61.943 62.100 0.046 0.000 1.031 13 T CB 1.848 70.739 68.868 0.039 0.000 1.046 13 T HN 0.221 nan 8.240 nan 0.000 0.479 14 T N 0.144 114.703 114.554 0.009 0.000 2.759 14 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 14 T C 2.241 176.940 174.700 -0.002 0.000 1.042 14 T CA 1.202 63.302 62.100 -0.001 0.000 1.140 14 T CB -0.915 67.954 68.868 0.001 0.000 0.864 14 T HN 0.869 nan 8.240 nan 0.000 0.455 15 A N 1.738 124.560 122.820 0.004 0.000 1.929 15 A HA 0.358 4.678 4.320 -0.000 0.000 0.216 15 A C 2.764 180.349 177.584 0.002 0.000 1.176 15 A CA 1.329 53.368 52.037 0.004 0.000 0.628 15 A CB -1.502 17.502 19.000 0.007 0.000 0.816 15 A HN 0.606 nan 8.150 nan 0.000 0.444 16 G N -0.045 108.759 108.800 0.007 0.000 2.462 16 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 16 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 16 G C 1.642 176.536 174.900 -0.011 0.000 1.121 16 G CA 1.115 46.219 45.100 0.006 0.000 0.758 16 G HN 0.585 nan 8.290 nan 0.000 0.559 17 K N -0.042 120.347 120.400 -0.018 0.000 2.031 17 K HA 0.150 4.470 4.320 -0.000 0.000 0.205 17 K C 2.485 179.065 176.600 -0.033 0.000 1.049 17 K CA 0.478 56.744 56.287 -0.035 0.000 0.939 17 K CB -0.388 32.089 32.500 -0.038 0.000 0.717 17 K HN 0.229 nan 8.250 nan 0.000 0.438 18 L N 0.970 122.181 121.223 -0.020 0.000 2.010 18 L HA -0.276 4.064 4.340 -0.000 0.000 0.219 18 L C 2.663 179.524 176.870 -0.015 0.000 1.077 18 L CA 1.826 56.657 54.840 -0.015 0.000 0.773 18 L CB -0.877 41.178 42.059 -0.006 0.000 0.892 18 L HN 0.262 nan 8.230 nan 0.000 0.436 19 A N -0.477 122.337 122.820 -0.011 0.000 2.014 19 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 19 A C 1.914 179.488 177.584 -0.016 0.000 1.163 19 A CA 1.715 53.748 52.037 -0.007 0.000 0.652 19 A CB -0.564 18.436 19.000 -0.000 0.000 0.808 19 A HN 0.502 nan 8.150 nan 0.000 0.449 20 D N -0.350 120.033 120.400 -0.029 0.000 2.123 20 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 20 D C 1.743 177.994 176.300 -0.082 0.000 0.992 20 D CA 1.434 55.406 54.000 -0.048 0.000 0.833 20 D CB -0.168 40.599 40.800 -0.056 0.000 0.954 20 D HN 0.250 nan 8.370 nan 0.000 0.455 21 L N 0.700 121.871 121.223 -0.088 0.000 2.127 21 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 21 L C 1.996 178.833 176.870 -0.055 0.000 1.089 21 L CA 1.627 56.397 54.840 -0.117 0.000 0.757 21 L CB -0.468 41.551 42.059 -0.068 0.000 0.899 21 L HN 0.015 nan 8.230 nan 0.000 0.434 22 R N -0.922 119.568 120.500 -0.016 0.000 2.090 22 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 22 R C 2.384 178.701 176.300 0.029 0.000 1.110 22 R CA 1.124 57.235 56.100 0.018 0.000 0.973 22 R CB -0.474 29.837 30.300 0.019 0.000 0.869 22 R HN 0.380 nan 8.270 nan 0.000 0.440 23 R N 1.252 121.759 120.500 0.012 0.000 2.073 23 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 23 R C 2.086 178.411 176.300 0.042 0.000 1.134 23 R CA 1.302 57.422 56.100 0.033 0.000 0.952 23 R CB -0.005 30.309 30.300 0.024 0.000 0.850 23 R HN 0.093 nan 8.270 nan 0.000 0.433 24 R N 0.662 121.134 120.500 -0.046 0.000 2.097 24 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 24 R C 2.422 178.744 176.300 0.037 0.000 1.135 24 R CA 1.927 57.919 56.100 -0.180 0.000 0.934 24 R CB -1.002 28.909 30.300 -0.649 0.000 0.846 24 R HN 0.358 nan 8.270 nan 0.000 0.431 25 I N 1.293 121.951 120.570 0.147 0.000 2.113 25 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 25 I C 2.551 178.739 176.117 0.118 0.000 1.064 25 I CA 1.427 62.830 61.300 0.172 0.000 1.320 25 I CB -0.423 37.647 38.000 0.117 0.000 1.028 25 I HN 0.153 nan 8.210 nan 0.000 0.406 26 E N 0.853 121.135 120.200 0.137 0.000 2.097 26 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 26 E C 2.085 178.870 176.600 0.308 0.000 1.000 26 E CA 1.605 58.139 56.400 0.222 0.000 0.804 26 E CB -0.261 29.540 29.700 0.168 0.000 0.740 26 E HN 0.608 nan 8.360 nan 0.000 0.454 27 E N 0.194 120.540 120.200 0.244 0.000 2.107 27 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 27 E C 2.012 178.800 176.600 0.314 0.000 0.982 27 E CA 0.847 57.423 56.400 0.293 0.000 0.809 27 E CB -0.057 29.854 29.700 0.351 0.000 0.756 27 E HN 0.195 nan 8.360 nan 0.000 0.459 28 A N 0.846 123.837 122.820 0.286 0.000 1.929 28 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 28 A C 2.313 179.924 177.584 0.044 0.000 1.176 28 A CA 1.443 53.610 52.037 0.216 0.000 0.628 28 A CB -0.714 18.343 19.000 0.095 0.000 0.816 28 A HN 0.129 nan 8.150 nan 0.000 0.444 29 T N -0.365 114.158 114.554 -0.051 0.000 2.977 29 T HA -0.096 4.254 4.350 -0.000 0.000 0.271 29 T C 0.126 174.514 174.700 -0.521 0.000 1.105 29 T CA 1.662 63.585 62.100 -0.294 0.000 1.116 29 T CB -0.383 68.260 68.868 -0.375 0.000 0.878 29 T HN 0.740 nan 8.240 nan 0.000 0.509 30 H N -0.976 118.131 119.070 0.063 0.000 2.616 30 H HA 0.602 5.158 4.556 -0.000 0.000 0.229 30 H C 1.116 176.474 175.328 0.050 0.000 1.418 30 H CA -0.199 55.876 56.048 0.045 0.000 1.248 30 H CB 0.179 29.966 29.762 0.042 0.000 1.822 30 H HN 0.147 nan 8.280 nan 0.000 0.522 31 A N 1.024 123.908 122.820 0.108 0.000 1.902 31 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 31 A C 1.775 179.378 177.584 0.032 0.000 1.181 31 A CA 1.179 53.268 52.037 0.087 0.000 0.623 31 A CB -0.543 18.501 19.000 0.072 0.000 0.818 31 A HN 0.549 nan 8.150 nan 0.000 0.443 32 G N -0.393 108.418 108.800 0.018 0.000 2.572 32 G HA2 0.414 4.374 3.960 -0.000 0.000 0.261 32 G HA3 0.414 4.374 3.960 -0.000 0.000 0.261 32 G C 0.342 175.239 174.900 -0.005 0.000 1.197 32 G CA 0.357 45.442 45.100 -0.025 0.000 0.870 32 G HN 0.813 nan 8.290 nan 0.000 0.548 33 S N -0.330 115.350 115.700 -0.034 0.000 2.572 33 S HA 0.375 4.845 4.470 -0.000 0.000 0.279 33 S C 1.662 176.258 174.600 -0.007 0.000 1.341 33 S CA 0.197 58.384 58.200 -0.021 0.000 1.043 33 S CB 1.467 64.645 63.200 -0.036 0.000 0.887 33 S HN 1.326 nan 8.310 nan 0.000 0.516 34 A N 2.800 125.619 122.820 -0.002 0.000 2.032 34 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 34 A C 2.301 179.888 177.584 0.005 0.000 1.165 34 A CA 1.164 53.204 52.037 0.005 0.000 0.645 34 A CB -0.565 18.434 19.000 -0.002 0.000 0.807 34 A HN 0.833 nan 8.150 nan 0.000 0.453 35 R N -0.063 120.436 120.500 -0.002 0.000 2.062 35 R HA 0.066 4.406 4.340 -0.000 0.000 0.229 35 R C 2.274 178.576 176.300 0.002 0.000 1.128 35 R CA 1.492 57.594 56.100 0.002 0.000 0.960 35 R CB -1.667 28.631 30.300 -0.003 0.000 0.855 35 R HN 0.446 nan 8.270 nan 0.000 0.432 36 A N 1.418 124.233 122.820 -0.010 0.000 1.969 36 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 36 A C 2.513 180.089 177.584 -0.013 0.000 1.169 36 A CA 1.237 53.273 52.037 -0.001 0.000 0.635 36 A CB -0.531 18.454 19.000 -0.025 0.000 0.810 36 A HN 0.081 nan 8.150 nan 0.000 0.445 37 V N 0.218 120.107 119.914 -0.043 0.000 2.255 37 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 37 V C 2.416 178.403 176.094 -0.178 0.000 1.051 37 V CA 2.439 64.661 62.300 -0.130 0.000 1.018 37 V CB -0.908 30.867 31.823 -0.079 0.000 0.641 37 V HN 0.655 nan 8.190 nan 0.000 0.445 38 E N -0.220 119.967 120.200 -0.022 0.000 2.085 38 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 38 E C 2.321 178.958 176.600 0.062 0.000 0.994 38 E CA 1.439 57.881 56.400 0.070 0.000 0.801 38 E CB -0.191 29.549 29.700 0.067 0.000 0.743 38 E HN 0.489 nan 8.360 nan 0.000 0.453 39 K N 0.494 120.915 120.400 0.035 0.000 2.148 39 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 39 K C 2.237 178.870 176.600 0.054 0.000 1.050 39 K CA 0.893 57.211 56.287 0.052 0.000 0.942 39 K CB 0.195 32.731 32.500 0.060 0.000 0.724 39 K HN 0.079 nan 8.250 nan 0.000 0.446 40 Q N -0.388 119.427 119.800 0.025 0.000 2.020 40 Q HA -0.157 4.183 4.340 -0.000 0.000 0.198 40 Q C 1.932 177.956 176.000 0.039 0.000 0.974 40 Q CA 1.524 57.332 55.803 0.009 0.000 0.829 40 Q CB -0.303 28.425 28.738 -0.016 0.000 0.894 40 Q HN 0.591 nan 8.270 nan 0.000 0.433 41 H N 0.281 119.369 119.070 0.029 0.000 2.325 41 H HA -0.213 4.343 4.556 -0.000 0.000 0.293 41 H C 2.075 177.410 175.328 0.012 0.000 1.106 41 H CA 1.136 57.194 56.048 0.017 0.000 1.247 41 H CB 0.028 29.802 29.762 0.019 0.000 1.359 41 H HN 0.351 nan 8.280 nan 0.000 0.488 42 A N 1.242 124.148 122.820 0.144 0.000 1.908 42 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 42 A C 2.029 179.643 177.584 0.051 0.000 1.181 42 A CA 1.754 53.839 52.037 0.080 0.000 0.627 42 A CB -0.341 18.697 19.000 0.063 0.000 0.818 42 A HN 0.356 nan 8.150 nan 0.000 0.445 43 K N -1.388 119.035 120.400 0.040 0.000 2.574 43 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 43 K C 0.993 177.604 176.600 0.018 0.000 1.035 43 K CA 0.504 56.801 56.287 0.016 0.000 0.982 43 K CB -0.282 32.210 32.500 -0.014 0.000 0.795 43 K HN 0.772 nan 8.250 nan 0.000 0.491 44 G N 2.014 110.837 108.800 0.039 0.000 2.132 44 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.228 44 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.228 44 G C -0.263 174.661 174.900 0.039 0.000 1.000 44 G CA 0.481 45.602 45.100 0.035 0.000 0.693 44 G HN 0.431 nan 8.290 nan 0.000 0.515 45 K N -0.885 119.547 120.400 0.055 0.000 2.352 45 K HA 0.914 5.234 4.320 -0.000 0.000 0.240 45 K C -0.222 176.444 176.600 0.109 0.000 1.017 45 K CA -1.283 55.032 56.287 0.047 0.000 0.851 45 K CB 1.720 34.217 32.500 -0.004 0.000 1.261 45 K HN 0.063 nan 8.250 nan 0.000 0.451 46 L N 0.406 121.676 121.223 0.080 0.000 2.376 46 L HA 0.413 4.753 4.340 -0.000 0.000 0.267 46 L C 0.538 177.423 176.870 0.025 0.000 1.035 46 L CA -0.618 54.288 54.840 0.110 0.000 0.800 46 L CB 1.553 43.659 42.059 0.080 0.000 1.290 46 L HN 0.969 nan 8.230 nan 0.000 0.462 47 T N -2.363 112.193 114.554 0.004 0.000 2.816 47 T HA 0.460 4.810 4.350 -0.000 0.000 0.282 47 T C 1.127 175.812 174.700 -0.024 0.000 0.993 47 T CA -0.106 61.974 62.100 -0.033 0.000 0.994 47 T CB 1.008 69.845 68.868 -0.052 0.000 1.025 47 T HN 0.623 nan 8.240 nan 0.000 0.529 48 A N 1.642 124.448 122.820 -0.022 0.000 1.841 48 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 48 A C 1.500 179.026 177.584 -0.096 0.000 1.199 48 A CA 0.934 52.948 52.037 -0.038 0.000 0.621 48 A CB -0.930 18.056 19.000 -0.023 0.000 0.835 48 A HN 0.909 nan 8.150 nan 0.000 0.445 49 R N -1.107 119.326 120.500 -0.113 0.000 2.734 49 R HA 0.328 4.668 4.340 -0.000 0.000 0.266 49 R C 0.465 176.697 176.300 -0.114 0.000 1.044 49 R CA 0.634 56.634 56.100 -0.167 0.000 1.128 49 R CB 0.219 30.436 30.300 -0.139 0.000 1.010 49 R HN 0.656 nan 8.270 nan 0.000 0.461 50 E N -0.271 119.854 120.200 -0.126 0.000 4.113 50 E HA -0.274 4.076 4.350 -0.000 0.000 0.149 50 E C 1.496 178.050 176.600 -0.076 0.000 0.938 50 E CA 1.412 57.773 56.400 -0.066 0.000 2.745 50 E CB -0.859 28.842 29.700 0.001 0.000 1.513 50 E HN 0.688 nan 8.360 nan 0.000 0.633 51 R N 0.775 121.226 120.500 -0.081 0.000 2.092 51 R HA 0.026 4.366 4.340 -0.000 0.000 0.231 51 R C 2.409 178.631 176.300 -0.130 0.000 1.119 51 R CA 1.747 57.798 56.100 -0.082 0.000 0.970 51 R CB -0.178 30.080 30.300 -0.070 0.000 0.864 51 R HN 0.308 nan 8.270 nan 0.000 0.440 52 I N 0.513 120.958 120.570 -0.209 0.000 2.233 52 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 52 I C 1.995 177.959 176.117 -0.256 0.000 1.093 52 I CA 1.462 62.578 61.300 -0.307 0.000 1.380 52 I CB -0.268 37.372 38.000 -0.601 0.000 1.067 52 I HN 0.138 nan 8.210 nan 0.000 0.413 53 D N 0.804 121.067 120.400 -0.229 0.000 2.106 53 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 53 D C 2.064 178.310 176.300 -0.090 0.000 0.997 53 D CA 1.308 55.221 54.000 -0.146 0.000 0.834 53 D CB 0.009 40.747 40.800 -0.103 0.000 0.956 53 D HN 0.075 nan 8.370 nan 0.000 0.448 54 L N 0.183 121.361 121.223 -0.075 0.000 2.079 54 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 54 L C 2.014 178.854 176.870 -0.050 0.000 1.081 54 L CA 1.421 56.231 54.840 -0.050 0.000 0.752 54 L CB -0.925 41.112 42.059 -0.037 0.000 0.896 54 L HN 0.281 nan 8.230 nan 0.000 0.433 55 L N -1.113 120.069 121.223 -0.068 0.000 2.044 55 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 55 L C 0.866 177.709 176.870 -0.046 0.000 1.075 55 L CA 1.229 56.034 54.840 -0.058 0.000 0.747 55 L CB -0.182 41.833 42.059 -0.073 0.000 0.903 55 L HN 0.075 nan 8.230 nan 0.000 0.435 56 L N 0.367 121.560 121.223 -0.050 0.000 2.379 56 L HA 0.255 4.595 4.340 -0.000 0.000 0.269 56 L C -0.295 176.572 176.870 -0.004 0.000 1.084 56 L CA -1.125 53.707 54.840 -0.013 0.000 0.802 56 L CB 0.296 42.367 42.059 0.019 0.000 1.175 56 L HN 0.007 nan 8.230 nan 0.000 0.448 57 D N 1.971 122.377 120.400 0.010 0.000 2.531 57 D HA -0.025 4.615 4.640 -0.000 0.000 0.239 57 D C 0.134 176.442 176.300 0.014 0.000 1.144 57 D CA 0.411 54.416 54.000 0.008 0.000 0.869 57 D CB 0.410 41.219 40.800 0.015 0.000 1.160 57 D HN 0.435 nan 8.370 nan 0.000 0.484 58 E N 0.569 120.772 120.200 0.005 0.000 2.694 58 E HA 0.113 4.463 4.350 -0.000 0.000 0.250 58 E C 1.226 177.835 176.600 0.015 0.000 0.963 58 E CA 0.718 57.122 56.400 0.007 0.000 0.949 58 E CB 0.281 29.981 29.700 0.000 0.000 0.911 58 E HN 0.747 nan 8.360 nan 0.000 0.500 59 G N 2.476 111.291 108.800 0.024 0.000 2.234 59 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.235 59 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.235 59 G C 1.037 175.949 174.900 0.020 0.000 0.997 59 G CA 0.499 45.611 45.100 0.020 0.000 0.623 59 G HN 0.633 nan 8.290 nan 0.000 0.514 60 S N -0.535 115.187 115.700 0.037 0.000 2.478 60 S HA 0.398 4.868 4.470 -0.000 0.000 0.222 60 S C 0.950 175.552 174.600 0.004 0.000 1.008 60 S CA 0.475 58.694 58.200 0.032 0.000 0.928 60 S CB 0.017 63.252 63.200 0.057 0.000 0.781 60 S HN 1.156 nan 8.310 nan 0.000 0.518 61 F N 3.826 123.701 119.950 -0.124 0.000 2.571 61 F HA 0.391 4.918 4.527 -0.000 0.000 0.390 61 F C -0.540 175.080 175.800 -0.301 0.000 1.043 61 F CA -0.789 57.093 58.000 -0.196 0.000 1.164 61 F CB 0.369 39.280 39.000 -0.148 0.000 1.049 61 F HN -0.075 nan 8.300 nan 0.000 0.552 62 V N 7.038 126.272 119.914 -1.133 0.000 2.350 62 V HA 0.211 4.331 4.120 -0.000 0.000 0.285 62 V C -0.050 175.155 176.094 -1.482 0.000 1.014 62 V CA -1.010 60.528 62.300 -1.270 0.000 0.831 62 V CB 1.222 32.221 31.823 -1.374 0.000 1.000 62 V HN 0.735 nan 8.190 nan 0.000 0.433 63 E N 4.383 123.778 120.200 -1.341 0.000 2.354 63 E HA 0.506 4.856 4.350 -0.000 0.000 0.269 63 E C -1.182 175.131 176.600 -0.478 0.000 1.036 63 E CA -0.393 55.461 56.400 -0.910 0.000 0.876 63 E CB 0.931 30.302 29.700 -0.548 0.000 1.009 63 E HN 0.588 nan 8.360 nan 0.000 0.416 64 L N 3.779 124.830 121.223 -0.287 0.000 2.334 64 L HA 0.300 4.640 4.340 -0.000 0.000 0.276 64 L C -0.433 176.366 176.870 -0.117 0.000 1.014 64 L CA -0.785 53.952 54.840 -0.173 0.000 0.815 64 L CB 1.611 43.599 42.059 -0.118 0.000 1.268 64 L HN 0.707 nan 8.230 nan 0.000 0.428 65 D N 1.057 121.399 120.400 -0.097 0.000 2.870 65 D HA -0.219 4.421 4.640 -0.000 0.000 0.228 65 D C 1.095 177.334 176.300 -0.100 0.000 1.147 65 D CA 1.327 55.295 54.000 -0.053 0.000 0.757 65 D CB -0.598 40.197 40.800 -0.009 0.000 1.091 65 D HN 0.843 nan 8.370 nan 0.000 0.429 66 E N -0.669 119.368 120.200 -0.272 0.000 2.153 66 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 66 E C 1.187 177.558 176.600 -0.381 0.000 0.988 66 E CA 1.036 57.179 56.400 -0.428 0.000 0.811 66 E CB 0.001 29.252 29.700 -0.747 0.000 0.746 66 E HN 0.321 nan 8.360 nan 0.000 0.466 67 F N 0.485 120.445 119.950 0.017 0.000 2.639 67 F HA 0.416 4.943 4.527 -0.000 0.000 0.300 67 F C 0.591 176.541 175.800 0.250 0.000 1.109 67 F CA -0.288 57.791 58.000 0.132 0.000 1.335 67 F CB -0.214 38.755 39.000 -0.051 0.000 1.014 67 F HN -0.042 nan 8.300 nan 0.000 0.537 68 A N 1.353 124.326 122.820 0.256 0.000 2.483 68 A HA 0.567 4.887 4.320 -0.000 0.000 0.238 68 A C 0.558 178.264 177.584 0.203 0.000 1.070 68 A CA -0.001 52.150 52.037 0.190 0.000 0.770 68 A CB 0.337 19.404 19.000 0.111 0.000 1.008 68 A HN 0.412 nan 8.150 nan 0.000 0.497 69 R N 0.043 120.626 120.500 0.140 0.000 2.698 69 R HA 0.332 4.672 4.340 -0.000 0.000 0.275 69 R C -0.738 175.600 176.300 0.063 0.000 1.001 69 R CA -0.755 55.403 56.100 0.096 0.000 0.896 69 R CB 1.741 32.046 30.300 0.008 0.000 1.218 69 R HN 1.074 nan 8.270 nan 0.000 0.462 70 H N 0.195 119.278 119.070 0.021 0.000 2.639 70 H HA 0.241 4.797 4.556 -0.000 0.000 0.373 70 H C 0.069 175.380 175.328 -0.029 0.000 1.372 70 H CA -0.233 55.804 56.048 -0.017 0.000 1.448 70 H CB 0.918 30.643 29.762 -0.062 0.000 1.544 70 H HN 0.509 nan 8.280 nan 0.000 0.615 71 R N 0.303 120.785 120.500 -0.031 0.000 2.572 71 R HA 0.184 4.524 4.340 -0.000 0.000 0.370 71 R C -0.180 176.116 176.300 -0.005 0.000 1.005 71 R CA -0.203 55.837 56.100 -0.099 0.000 1.146 71 R CB 0.630 30.901 30.300 -0.048 0.000 1.390 71 R HN 0.479 nan 8.270 nan 0.000 0.553 72 S N 1.328 117.184 115.700 0.260 0.000 2.488 72 S HA 0.045 4.515 4.470 -0.000 0.000 0.278 72 S C 1.280 175.940 174.600 0.100 0.000 1.259 72 S CA -0.069 58.221 58.200 0.150 0.000 1.061 72 S CB 0.759 63.995 63.200 0.060 0.000 0.910 72 S HN 0.411 nan 8.310 nan 0.000 0.491 73 T N 1.783 116.328 114.554 -0.016 0.000 3.034 73 T HA 0.072 4.422 4.350 -0.000 0.000 0.248 73 T C 0.552 175.217 174.700 -0.058 0.000 1.040 73 T CA -0.190 61.895 62.100 -0.025 0.000 1.107 73 T CB -0.563 68.280 68.868 -0.042 0.000 0.932 73 T HN 0.717 nan 8.240 nan 0.000 0.474 74 N N 2.610 121.207 118.700 -0.172 0.000 2.412 74 N HA 0.181 4.921 4.740 -0.000 0.000 0.254 74 N C -0.081 175.242 175.510 -0.311 0.000 1.232 74 N CA -0.437 52.402 53.050 -0.352 0.000 0.880 74 N CB -0.619 37.488 38.487 -0.633 0.000 1.076 74 N HN 0.240 nan 8.380 nan 0.000 0.458 75 F N -1.075 118.875 119.950 -0.001 0.000 2.183 75 F HA -0.153 4.374 4.527 -0.000 0.000 0.318 75 F C 1.549 177.361 175.800 0.020 0.000 0.134 75 F CA 0.662 58.664 58.000 0.004 0.000 0.912 75 F CB -1.651 37.345 39.000 -0.006 0.000 4.135 75 F HN 0.673 nan 8.300 nan 0.000 0.137 76 G N 0.186 109.147 108.800 0.270 0.000 3.820 76 G HA2 0.492 4.452 3.960 -0.000 0.000 0.293 76 G HA3 0.492 4.452 3.960 -0.000 0.000 0.293 76 G C 0.883 175.890 174.900 0.178 0.000 1.152 76 G CA 0.148 45.349 45.100 0.167 0.000 0.921 76 G HN 0.406 nan 8.290 nan 0.000 0.544 77 L N -0.580 120.757 121.223 0.190 0.000 2.072 77 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 77 L C 2.469 179.533 176.870 0.323 0.000 1.079 77 L CA 1.007 55.990 54.840 0.238 0.000 0.752 77 L CB -0.200 41.895 42.059 0.061 0.000 0.906 77 L HN 0.183 nan 8.230 nan 0.000 0.436 78 D N 0.582 121.097 120.400 0.192 0.000 2.220 78 D HA -0.248 4.392 4.640 -0.000 0.000 0.198 78 D C 2.047 178.381 176.300 0.056 0.000 1.001 78 D CA 1.538 55.571 54.000 0.056 0.000 0.875 78 D CB 0.219 41.034 40.800 0.025 0.000 0.921 78 D HN 0.308 nan 8.370 nan 0.000 0.454 79 A N -0.736 122.142 122.820 0.097 0.000 1.930 79 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 79 A C 0.887 178.520 177.584 0.082 0.000 1.175 79 A CA 0.933 53.014 52.037 0.074 0.000 0.627 79 A CB -0.038 19.009 19.000 0.077 0.000 0.815 79 A HN 0.194 nan 8.150 nan 0.000 0.443 80 N N 0.084 118.880 118.700 0.160 0.000 2.524 80 N HA 0.396 5.136 4.740 -0.000 0.000 0.261 80 N C -1.080 174.604 175.510 0.290 0.000 0.998 80 N CA -0.173 52.980 53.050 0.170 0.000 0.915 80 N CB 1.156 39.733 38.487 0.150 0.000 1.187 80 N HN 0.218 nan 8.380 nan 0.000 0.507 81 R N 2.393 122.970 120.500 0.128 0.000 2.587 81 R HA 0.301 4.641 4.340 -0.000 0.000 0.283 81 R C -2.459 173.846 176.300 0.008 0.000 1.472 81 R CA -1.359 54.810 56.100 0.116 0.000 1.578 81 R CB 1.325 31.566 30.300 -0.098 0.000 1.130 81 R HN 0.371 nan 8.270 nan 0.000 0.602 82 P HA -0.006 nan 4.420 nan 0.000 0.276 82 P C -0.529 176.811 177.300 0.066 0.000 1.235 82 P CA -0.204 62.911 63.100 0.025 0.000 0.772 82 P CB 0.468 32.208 31.700 0.066 0.000 0.871 83 Y N 2.339 122.725 120.300 0.144 0.000 2.993 83 Y HA 0.187 4.737 4.550 -0.000 0.000 0.340 83 Y C 2.072 178.035 175.900 0.104 0.000 1.273 83 Y CA 2.138 60.335 58.100 0.162 0.000 1.545 83 Y CB -0.843 37.762 38.460 0.241 0.000 1.275 83 Y HN 0.910 nan 8.280 nan 0.000 0.617 84 G N 2.222 111.180 108.800 0.262 0.000 2.692 84 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 84 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 84 G C -0.448 174.545 174.900 0.154 0.000 1.340 84 G CA 0.246 45.423 45.100 0.128 0.000 0.896 84 G HN 0.940 nan 8.290 nan 0.000 0.570 85 D N -0.984 119.486 120.400 0.118 0.000 3.118 85 D HA 0.549 5.189 4.640 -0.000 0.000 0.352 85 D C 0.989 177.427 176.300 0.229 0.000 1.498 85 D CA 1.589 55.712 54.000 0.205 0.000 0.759 85 D CB -0.560 40.359 40.800 0.199 0.000 1.251 85 D HN 2.054 nan 8.370 nan 0.000 0.504 86 G N -0.286 108.594 108.800 0.134 0.000 2.159 86 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.227 86 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.227 86 G C -0.166 174.582 174.900 -0.252 0.000 0.986 86 G CA 0.114 45.280 45.100 0.109 0.000 0.651 86 G HN 0.854 nan 8.290 nan 0.000 0.523 87 V N 0.382 120.081 119.914 -0.357 0.000 2.733 87 V HA 0.711 4.831 4.120 -0.000 0.000 0.306 87 V C -0.407 175.596 176.094 -0.151 0.000 1.084 87 V CA -0.598 61.450 62.300 -0.420 0.000 0.905 87 V CB 2.268 33.562 31.823 -0.881 0.000 1.010 87 V HN 0.598 nan 8.190 nan 0.000 0.424 88 V N 5.729 125.606 119.914 -0.062 0.000 2.427 88 V HA 0.798 4.918 4.120 -0.000 0.000 0.286 88 V C 0.262 176.402 176.094 0.077 0.000 1.034 88 V CA -0.009 62.293 62.300 0.003 0.000 0.893 88 V CB 1.685 33.493 31.823 -0.025 0.000 0.982 88 V HN 1.069 nan 8.190 nan 0.000 0.452 89 T N 0.860 115.493 114.554 0.133 0.000 2.903 89 T HA 0.964 5.314 4.350 -0.000 0.000 0.299 89 T C -0.164 174.658 174.700 0.203 0.000 1.093 89 T CA -0.143 62.061 62.100 0.174 0.000 1.002 89 T CB 2.213 71.140 68.868 0.099 0.000 1.127 89 T HN 1.434 nan 8.240 nan 0.000 0.488 90 G N 0.345 109.260 108.800 0.191 0.000 2.333 90 G HA2 0.471 4.431 3.960 -0.000 0.000 0.288 90 G HA3 0.471 4.431 3.960 -0.000 0.000 0.288 90 G C -2.014 172.913 174.900 0.045 0.000 1.286 90 G CA -0.413 44.683 45.100 -0.007 0.000 0.865 90 G HN 1.371 nan 8.290 nan 0.000 0.506 91 Y N -0.927 119.260 120.300 -0.189 0.000 2.598 91 Y HA 0.930 5.480 4.550 -0.000 0.000 0.340 91 Y C 0.457 176.355 175.900 -0.003 0.000 1.038 91 Y CA -0.540 57.495 58.100 -0.109 0.000 1.100 91 Y CB 1.837 40.124 38.460 -0.288 0.000 1.281 91 Y HN 1.624 nan 8.280 nan 0.000 0.488 92 G N -0.018 108.945 108.800 0.272 0.000 2.500 92 G HA2 0.497 4.457 3.960 -0.000 0.000 0.299 92 G HA3 0.497 4.457 3.960 -0.000 0.000 0.299 92 G C -1.476 173.535 174.900 0.185 0.000 1.242 92 G CA -0.460 44.754 45.100 0.189 0.000 0.859 92 G HN 1.147 nan 8.290 nan 0.000 0.481 93 T N -2.447 112.177 114.554 0.117 0.000 2.893 93 T HA 0.695 5.045 4.350 -0.000 0.000 0.291 93 T C -1.188 173.539 174.700 0.045 0.000 1.028 93 T CA -0.732 61.416 62.100 0.081 0.000 0.995 93 T CB 1.978 70.886 68.868 0.068 0.000 1.051 93 T HN 0.909 nan 8.240 nan 0.000 0.470 94 V N 2.907 122.835 119.914 0.024 0.000 2.376 94 V HA 0.369 4.489 4.120 -0.000 0.000 0.287 94 V C -0.421 175.665 176.094 -0.013 0.000 1.015 94 V CA -0.558 61.740 62.300 -0.004 0.000 0.834 94 V CB 0.881 32.692 31.823 -0.020 0.000 1.001 94 V HN 1.132 nan 8.190 nan 0.000 0.428 95 D N 4.397 124.787 120.400 -0.016 0.000 2.772 95 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 95 D C 1.351 177.657 176.300 0.009 0.000 1.143 95 D CA 1.654 55.647 54.000 -0.013 0.000 0.700 95 D CB -1.075 39.708 40.800 -0.030 0.000 1.076 95 D HN 1.386 nan 8.370 nan 0.000 0.430 96 G N -0.486 108.323 108.800 0.014 0.000 2.184 96 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.264 96 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.264 96 G C 0.316 175.228 174.900 0.020 0.000 0.975 96 G CA 0.700 45.813 45.100 0.022 0.000 0.642 96 G HN 0.552 nan 8.290 nan 0.000 0.536 97 R N 1.037 121.545 120.500 0.014 0.000 2.460 97 R HA 0.525 4.865 4.340 -0.000 0.000 0.303 97 R C -2.479 173.839 176.300 0.030 0.000 0.968 97 R CA -2.049 54.056 56.100 0.009 0.000 0.889 97 R CB 1.738 32.029 30.300 -0.014 0.000 1.123 97 R HN 0.104 nan 8.270 nan 0.000 0.455 98 P HA -0.011 nan 4.420 nan 0.000 0.265 98 P C -0.772 176.580 177.300 0.088 0.000 1.193 98 P CA 0.075 63.224 63.100 0.082 0.000 0.765 98 P CB 1.099 32.839 31.700 0.068 0.000 0.823 99 V N 1.771 121.765 119.914 0.133 0.000 3.087 99 V HA 0.768 4.888 4.120 -0.000 0.000 0.306 99 V C -1.584 174.622 176.094 0.186 0.000 1.187 99 V CA -0.905 61.469 62.300 0.123 0.000 0.999 99 V CB 2.281 34.149 31.823 0.074 0.000 1.049 99 V HN 0.754 nan 8.190 nan 0.000 0.431 100 A N 3.887 126.813 122.820 0.177 0.000 2.355 100 A HA 0.928 5.248 4.320 -0.000 0.000 0.317 100 A C -1.228 176.447 177.584 0.151 0.000 1.094 100 A CA -0.461 51.699 52.037 0.206 0.000 0.764 100 A CB 1.855 21.018 19.000 0.273 0.000 1.230 100 A HN 1.644 nan 8.150 nan 0.000 0.448 101 V N 3.095 123.100 119.914 0.151 0.000 2.925 101 V HA 0.877 4.997 4.120 -0.000 0.000 0.311 101 V C -1.741 174.443 176.094 0.151 0.000 1.104 101 V CA -0.757 61.584 62.300 0.070 0.000 0.954 101 V CB 1.860 33.691 31.823 0.014 0.000 1.022 101 V HN 1.248 nan 8.190 nan 0.000 0.427 102 F N 3.222 123.198 119.950 0.044 0.000 2.588 102 F HA 0.901 5.428 4.527 -0.000 0.000 0.310 102 F C -0.657 175.138 175.800 -0.008 0.000 1.082 102 F CA -0.862 57.148 58.000 0.016 0.000 0.929 102 F CB 1.936 40.952 39.000 0.026 0.000 1.254 102 F HN 0.444 nan 8.300 nan 0.000 0.455 103 S N 2.064 117.849 115.700 0.142 0.000 2.619 103 S HA 0.381 4.851 4.470 -0.000 0.000 0.280 103 S C -1.422 173.230 174.600 0.086 0.000 1.150 103 S CA -0.637 57.579 58.200 0.027 0.000 0.978 103 S CB 1.199 64.352 63.200 -0.079 0.000 1.041 103 S HN 0.761 nan 8.310 nan 0.000 0.485 104 Q N 2.599 122.484 119.800 0.141 0.000 2.267 104 Q HA 0.237 4.577 4.340 -0.000 0.000 0.255 104 Q C -1.037 175.038 176.000 0.125 0.000 0.923 104 Q CA -0.477 55.411 55.803 0.141 0.000 0.925 104 Q CB 0.959 29.882 28.738 0.310 0.000 1.195 104 Q HN 0.513 nan 8.270 nan 0.000 0.417 105 D N 2.626 123.080 120.400 0.091 0.000 2.500 105 D HA 0.046 4.686 4.640 -0.000 0.000 0.219 105 D C 0.202 176.608 176.300 0.177 0.000 1.137 105 D CA -0.391 53.673 54.000 0.107 0.000 0.946 105 D CB -0.020 40.804 40.800 0.040 0.000 1.022 105 D HN 0.481 nan 8.370 nan 0.000 0.518 106 F N 1.982 121.974 119.950 0.070 0.000 2.271 106 F HA -0.213 4.314 4.527 -0.000 0.000 0.302 106 F C 2.025 177.844 175.800 0.033 0.000 1.063 106 F CA 1.277 59.317 58.000 0.067 0.000 1.362 106 F CB 0.002 39.031 39.000 0.048 0.000 1.060 106 F HN 0.209 nan 8.300 nan 0.000 0.521 107 T N -0.772 113.833 114.554 0.084 0.000 3.155 107 T HA -0.023 4.327 4.350 -0.000 0.000 0.264 107 T C 1.698 176.334 174.700 -0.107 0.000 1.160 107 T CA 0.828 62.920 62.100 -0.014 0.000 1.075 107 T CB -0.144 68.731 68.868 0.012 0.000 0.921 107 T HN 0.077 nan 8.240 nan 0.000 0.533 108 V N -1.112 118.731 119.914 -0.119 0.000 3.050 108 V HA 0.353 4.473 4.120 -0.000 0.000 0.223 108 V C 0.271 176.130 176.094 -0.391 0.000 1.162 108 V CA 0.302 62.485 62.300 -0.195 0.000 1.247 108 V CB 0.170 31.977 31.823 -0.027 0.000 1.125 108 V HN 0.297 nan 8.190 nan 0.000 0.508 109 F N 0.909 120.820 119.950 -0.066 0.000 2.739 109 F HA 0.572 5.099 4.527 0.000 0.000 0.345 109 F C 1.232 176.936 175.800 -0.160 0.000 1.373 109 F CA 0.380 58.324 58.000 -0.094 0.000 1.160 109 F CB 0.680 39.642 39.000 -0.063 0.000 1.137 109 F HN 0.334 nan 8.300 nan 0.000 0.524 110 G N 0.186 108.851 108.800 -0.224 0.000 2.180 110 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.263 110 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.263 110 G C 1.319 176.041 174.900 -0.296 0.000 0.989 110 G CA 0.389 45.176 45.100 -0.523 0.000 0.692 110 G HN 1.377 nan 8.290 nan 0.000 0.526 111 G N -1.486 107.298 108.800 -0.025 0.000 2.155 111 G HA2 0.144 4.104 3.960 -0.000 0.000 0.257 111 G HA3 0.144 4.104 3.960 -0.000 0.000 0.257 111 G C 0.788 175.855 174.900 0.278 0.000 0.983 111 G CA 1.156 46.400 45.100 0.241 0.000 0.676 111 G HN 2.332 nan 8.290 nan 0.000 0.528 112 A N -0.056 122.842 122.820 0.130 0.000 2.524 112 A HA 0.549 4.869 4.320 -0.000 0.000 0.250 112 A C 0.786 178.177 177.584 -0.322 0.000 1.078 112 A CA 0.378 52.394 52.037 -0.035 0.000 0.761 112 A CB 0.364 19.344 19.000 -0.033 0.000 1.012 112 A HN 1.630 nan 8.150 nan 0.000 0.500 113 L N 4.392 125.245 121.223 -0.615 0.000 2.530 113 L HA 0.439 4.779 4.340 -0.000 0.000 0.273 113 L C 0.894 177.267 176.870 -0.829 0.000 1.141 113 L CA 0.274 54.334 54.840 -1.300 0.000 0.905 113 L CB 0.033 41.513 42.059 -0.966 0.000 1.202 113 L HN 0.756 nan 8.230 nan 0.000 0.473 114 G N 3.102 111.491 108.800 -0.686 0.000 2.543 114 G HA2 0.157 4.117 3.960 -0.000 0.000 0.267 114 G HA3 0.157 4.117 3.960 -0.000 0.000 0.267 114 G C 0.322 175.050 174.900 -0.287 0.000 1.406 114 G CA 0.265 45.139 45.100 -0.377 0.000 1.048 114 G HN 0.813 nan 8.290 nan 0.000 0.548 115 E N -1.755 118.338 120.200 -0.178 0.000 2.127 115 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 115 E C 2.172 178.743 176.600 -0.048 0.000 0.964 115 E CA 0.504 56.825 56.400 -0.132 0.000 0.832 115 E CB 0.010 29.645 29.700 -0.108 0.000 0.790 115 E HN 0.145 nan 8.360 nan 0.000 0.465 116 V N 1.050 120.970 119.914 0.009 0.000 2.358 116 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 116 V C 2.256 178.408 176.094 0.097 0.000 1.047 116 V CA 1.984 64.317 62.300 0.055 0.000 1.035 116 V CB -0.855 31.021 31.823 0.088 0.000 0.658 116 V HN 0.440 nan 8.190 nan 0.000 0.452 117 Y N 1.416 121.684 120.300 -0.053 0.000 2.298 117 Y HA -0.234 4.316 4.550 0.000 0.000 0.287 117 Y C 2.189 178.021 175.900 -0.112 0.000 1.164 117 Y CA 1.237 59.301 58.100 -0.060 0.000 1.229 117 Y CB -0.199 38.224 38.460 -0.061 0.000 0.977 117 Y HN 0.288 nan 8.280 nan 0.000 0.538 118 G N -0.679 108.195 108.800 0.122 0.000 2.492 118 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.214 118 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.214 118 G C 1.304 176.187 174.900 -0.029 0.000 1.147 118 G CA 0.360 45.454 45.100 -0.009 0.000 0.809 118 G HN 0.407 nan 8.290 nan 0.000 0.533 119 Q N 0.308 120.101 119.800 -0.011 0.000 2.096 119 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 119 Q C 2.532 178.534 176.000 0.004 0.000 0.982 119 Q CA 1.402 57.203 55.803 -0.004 0.000 0.850 119 Q CB -0.072 28.670 28.738 0.007 0.000 0.901 119 Q HN 0.404 nan 8.270 nan 0.000 0.422 120 K N 0.231 120.636 120.400 0.008 0.000 2.032 120 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 120 K C 2.010 178.596 176.600 -0.024 0.000 1.048 120 K CA 1.292 57.577 56.287 -0.003 0.000 0.927 120 K CB -0.182 32.308 32.500 -0.017 0.000 0.712 120 K HN 0.247 nan 8.250 nan 0.000 0.441 121 I N 0.854 121.372 120.570 -0.086 0.000 2.226 121 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 121 I C 2.261 178.334 176.117 -0.073 0.000 1.100 121 I CA 0.970 62.155 61.300 -0.191 0.000 1.374 121 I CB -0.336 37.399 38.000 -0.441 0.000 1.057 121 I HN -0.059 nan 8.210 nan 0.000 0.413 122 V N 1.234 121.123 119.914 -0.041 0.000 2.332 122 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 122 V C 2.563 178.689 176.094 0.054 0.000 1.055 122 V CA 2.000 64.303 62.300 0.006 0.000 1.038 122 V CB -0.728 31.095 31.823 -0.001 0.000 0.651 122 V HN 0.444 nan 8.190 nan 0.000 0.450 123 K N 0.358 120.791 120.400 0.054 0.000 2.097 123 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 123 K C 2.041 178.728 176.600 0.146 0.000 1.049 123 K CA 2.010 58.351 56.287 0.090 0.000 0.933 123 K CB -0.106 32.434 32.500 0.066 0.000 0.717 123 K HN 0.519 nan 8.250 nan 0.000 0.442 124 V N -1.539 118.457 119.914 0.136 0.000 2.488 124 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 124 V C 2.196 178.440 176.094 0.251 0.000 1.046 124 V CA 1.105 63.522 62.300 0.195 0.000 1.053 124 V CB -0.548 31.391 31.823 0.193 0.000 0.679 124 V HN 0.208 nan 8.190 nan 0.000 0.458 125 M N 0.632 120.350 119.600 0.195 0.000 2.149 125 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 125 M C 1.912 178.313 176.300 0.169 0.000 1.064 125 M CA 2.243 57.653 55.300 0.184 0.000 1.102 125 M CB -0.701 31.983 32.600 0.140 0.000 1.369 125 M HN 0.334 nan 8.290 nan 0.000 0.408 126 D N -0.101 120.393 120.400 0.157 0.000 2.183 126 D HA -0.085 4.555 4.640 -0.000 0.000 0.203 126 D C 1.637 178.016 176.300 0.132 0.000 0.969 126 D CA 0.953 55.030 54.000 0.128 0.000 0.842 126 D CB -0.232 40.632 40.800 0.107 0.000 0.957 126 D HN 0.269 nan 8.370 nan 0.000 0.484 127 F N 1.568 121.549 119.950 0.051 0.000 2.113 127 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 127 F C 2.182 177.998 175.800 0.027 0.000 1.103 127 F CA 1.559 59.578 58.000 0.030 0.000 1.248 127 F CB -0.105 38.921 39.000 0.043 0.000 0.999 127 F HN -0.064 nan 8.300 nan 0.000 0.475 128 A N 0.380 123.366 122.820 0.276 0.000 1.855 128 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 128 A C 2.080 179.693 177.584 0.047 0.000 1.191 128 A CA 1.631 53.772 52.037 0.173 0.000 0.613 128 A CB -1.366 17.765 19.000 0.219 0.000 0.829 128 A HN 0.479 nan 8.150 nan 0.000 0.442 129 L N 0.301 121.566 121.223 0.070 0.000 2.021 129 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 129 L C 2.377 179.240 176.870 -0.012 0.000 1.074 129 L CA 2.849 57.718 54.840 0.049 0.000 0.760 129 L CB -0.591 41.513 42.059 0.075 0.000 0.889 129 L HN 0.531 nan 8.230 nan 0.000 0.433 130 K N -1.427 118.934 120.400 -0.064 0.000 2.057 130 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 130 K C 1.702 178.193 176.600 -0.182 0.000 1.049 130 K CA 1.845 58.057 56.287 -0.124 0.000 0.931 130 K CB -0.209 32.190 32.500 -0.167 0.000 0.714 130 K HN 0.611 nan 8.250 nan 0.000 0.440 131 T N -3.273 111.118 114.554 -0.271 0.000 3.081 131 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 131 T C 1.022 175.651 174.700 -0.120 0.000 1.100 131 T CA 0.287 62.234 62.100 -0.255 0.000 1.038 131 T CB 0.269 68.890 68.868 -0.411 0.000 0.962 131 T HN 0.367 nan 8.240 nan 0.000 0.516 132 G N 1.440 110.201 108.800 -0.065 0.000 2.289 132 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.280 132 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.280 132 G C 0.205 175.112 174.900 0.012 0.000 1.089 132 G CA -0.055 45.040 45.100 -0.008 0.000 0.939 132 G HN 1.319 nan 8.290 nan 0.000 0.499 133 C N -2.297 117.021 119.300 0.031 0.000 2.630 133 C HA 0.996 5.456 4.460 -0.000 0.000 0.346 133 C C -1.986 173.044 174.990 0.065 0.000 1.245 133 C CA -2.726 56.322 59.018 0.050 0.000 1.804 133 C CB 1.899 29.687 27.740 0.081 0.000 2.279 133 C HN 0.255 nan 8.230 nan 0.000 0.498 134 P HA 0.348 nan 4.420 nan 0.000 0.272 134 P C -0.887 176.462 177.300 0.082 0.000 1.230 134 P CA -0.127 62.993 63.100 0.032 0.000 0.788 134 P CB 0.509 32.196 31.700 -0.021 0.000 0.949 135 V N 2.797 122.767 119.914 0.094 0.000 2.417 135 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 135 V C -0.063 176.070 176.094 0.066 0.000 1.024 135 V CA -0.543 61.830 62.300 0.123 0.000 0.861 135 V CB 1.954 33.892 31.823 0.191 0.000 0.985 135 V HN 0.192 nan 8.190 nan 0.000 0.436 136 V N 3.886 123.803 119.914 0.005 0.000 2.384 136 V HA 0.676 4.796 4.120 -0.000 0.000 0.287 136 V C 0.657 176.565 176.094 -0.310 0.000 1.020 136 V CA -0.364 61.886 62.300 -0.083 0.000 0.850 136 V CB 1.677 33.458 31.823 -0.071 0.000 0.987 136 V HN 0.953 nan 8.190 nan 0.000 0.436 137 G N 5.626 114.187 108.800 -0.397 0.000 2.335 137 G HA2 0.613 4.573 3.960 -0.000 0.000 0.314 137 G HA3 0.613 4.573 3.960 -0.000 0.000 0.314 137 G C -0.583 173.949 174.900 -0.613 0.000 1.129 137 G CA -0.422 44.038 45.100 -1.065 0.000 0.912 137 G HN 0.486 nan 8.290 nan 0.000 0.443 138 I N 2.385 122.546 120.570 -0.681 0.000 2.306 138 I HA 0.196 4.366 4.170 -0.000 0.000 0.288 138 I C -0.483 175.622 176.117 -0.020 0.000 1.036 138 I CA -1.131 60.035 61.300 -0.223 0.000 1.221 138 I CB 0.539 38.437 38.000 -0.170 0.000 1.385 138 I HN 0.338 nan 8.210 nan 0.000 0.472 139 N N 4.896 123.634 118.700 0.063 0.000 2.437 139 N HA 0.357 5.097 4.740 -0.000 0.000 0.259 139 N C -0.507 175.083 175.510 0.134 0.000 0.983 139 N CA -0.305 52.847 53.050 0.169 0.000 0.937 139 N CB 1.251 39.842 38.487 0.174 0.000 1.122 139 N HN 0.380 nan 8.380 nan 0.000 0.499 140 D N 0.997 121.508 120.400 0.185 0.000 2.823 140 D HA 0.180 4.820 4.640 -0.000 0.000 0.255 140 D C -1.560 174.924 176.300 0.307 0.000 1.257 140 D CA -0.197 53.904 54.000 0.167 0.000 0.803 140 D CB 0.266 41.140 40.800 0.124 0.000 1.384 140 D HN 0.296 nan 8.370 nan 0.000 0.541 141 S N 0.054 115.931 115.700 0.295 0.000 2.540 141 S HA 0.625 5.095 4.470 -0.000 0.000 0.275 141 S C 1.112 175.881 174.600 0.281 0.000 1.123 141 S CA -0.157 58.247 58.200 0.341 0.000 0.907 141 S CB 1.402 64.772 63.200 0.283 0.000 1.081 141 S HN 0.223 nan 8.310 nan 0.000 0.476 142 G N 1.606 110.576 108.800 0.283 0.000 2.572 142 G HA2 0.476 4.436 3.960 -0.000 0.000 0.216 142 G HA3 0.476 4.436 3.960 -0.000 0.000 0.216 142 G C 0.887 175.857 174.900 0.116 0.000 1.133 142 G CA 0.594 45.826 45.100 0.221 0.000 0.791 142 G HN 1.561 nan 8.290 nan 0.000 0.538 143 G N -1.026 107.828 108.800 0.090 0.000 2.292 143 G HA2 0.472 4.432 3.960 -0.000 0.000 0.194 143 G HA3 0.472 4.432 3.960 -0.000 0.000 0.194 143 G C -0.575 174.371 174.900 0.077 0.000 1.329 143 G CA -0.129 45.015 45.100 0.073 0.000 1.100 143 G HN 1.042 nan 8.290 nan 0.000 0.470 144 A N 0.132 123.006 122.820 0.090 0.000 2.366 144 A HA 0.673 4.993 4.320 -0.000 0.000 0.272 144 A C 0.812 178.349 177.584 -0.079 0.000 1.135 144 A CA 0.207 52.237 52.037 -0.012 0.000 0.804 144 A CB 0.280 19.315 19.000 0.059 0.000 1.064 144 A HN 0.846 nan 8.150 nan 0.000 0.499 145 R N 3.566 123.954 120.500 -0.186 0.000 2.606 145 R HA 0.054 4.394 4.340 -0.000 0.000 0.276 145 R C 0.441 176.661 176.300 -0.133 0.000 1.416 145 R CA -0.445 55.545 56.100 -0.183 0.000 1.064 145 R CB -0.376 29.735 30.300 -0.314 0.000 1.117 145 R HN 0.742 nan 8.270 nan 0.000 0.543 146 I N 2.858 123.402 120.570 -0.045 0.000 2.248 146 I HA -0.374 3.796 4.170 -0.000 0.000 0.248 146 I C 2.269 178.413 176.117 0.046 0.000 1.107 146 I CA 1.333 62.640 61.300 0.011 0.000 1.373 146 I CB -1.106 36.929 38.000 0.059 0.000 1.055 146 I HN 0.632 nan 8.210 nan 0.000 0.418 147 Q N 1.431 121.282 119.800 0.086 0.000 2.173 147 Q HA -0.230 4.110 4.340 -0.000 0.000 0.208 147 Q C 1.434 177.327 176.000 -0.179 0.000 0.989 147 Q CA 1.672 57.557 55.803 0.136 0.000 0.872 147 Q CB -0.926 27.937 28.738 0.209 0.000 0.909 147 Q HN 0.648 nan 8.270 nan 0.000 0.420 148 E N 0.844 120.935 120.200 -0.182 0.000 2.489 148 E HA 0.205 4.555 4.350 -0.000 0.000 0.193 148 E C 1.008 177.511 176.600 -0.163 0.000 1.057 148 E CA 0.155 56.432 56.400 -0.205 0.000 0.866 148 E CB 0.039 29.606 29.700 -0.220 0.000 0.916 148 E HN 0.487 nan 8.360 nan 0.000 0.500 149 G N 1.522 110.248 108.800 -0.123 0.000 2.611 149 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.301 149 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.301 149 G C 1.245 176.096 174.900 -0.081 0.000 1.233 149 G CA 1.111 46.161 45.100 -0.083 0.000 0.993 149 G HN 0.445 nan 8.290 nan 0.000 0.553 150 V N -1.209 118.667 119.914 -0.065 0.000 2.453 150 V HA 0.079 4.199 4.120 -0.000 0.000 0.252 150 V C 3.241 179.285 176.094 -0.083 0.000 1.068 150 V CA 3.210 65.478 62.300 -0.053 0.000 1.070 150 V CB -1.741 30.060 31.823 -0.036 0.000 0.664 150 V HN 2.313 nan 8.190 nan 0.000 0.461 151 A N 0.727 123.484 122.820 -0.105 0.000 1.927 151 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 151 A C 2.469 179.940 177.584 -0.188 0.000 1.185 151 A CA 2.768 54.728 52.037 -0.128 0.000 0.639 151 A CB -1.157 17.766 19.000 -0.128 0.000 0.820 151 A HN 0.652 nan 8.150 nan 0.000 0.451 152 S N -0.239 115.320 115.700 -0.235 0.000 2.383 152 S HA -0.055 4.415 4.470 -0.000 0.000 0.227 152 S C 1.765 176.113 174.600 -0.420 0.000 1.026 152 S CA 1.365 59.330 58.200 -0.391 0.000 0.981 152 S CB -0.417 62.553 63.200 -0.383 0.000 0.818 152 S HN 0.535 nan 8.310 nan 0.000 0.472 153 L N 0.972 122.085 121.223 -0.184 0.000 2.093 153 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 153 L C 2.749 179.590 176.870 -0.048 0.000 1.085 153 L CA 1.162 55.983 54.840 -0.031 0.000 0.755 153 L CB -1.311 40.770 42.059 0.036 0.000 0.904 153 L HN 0.407 nan 8.230 nan 0.000 0.435 154 G N 0.063 108.808 108.800 -0.091 0.000 2.433 154 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 154 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 154 G C 1.819 176.643 174.900 -0.127 0.000 1.186 154 G CA 0.929 45.980 45.100 -0.080 0.000 0.779 154 G HN 0.442 nan 8.290 nan 0.000 0.543 155 A N 0.307 123.004 122.820 -0.205 0.000 1.884 155 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 155 A C 2.262 179.691 177.584 -0.258 0.000 1.197 155 A CA 2.038 53.927 52.037 -0.246 0.000 0.637 155 A CB -0.928 17.865 19.000 -0.345 0.000 0.827 155 A HN 0.383 nan 8.150 nan 0.000 0.450 156 Y N 0.035 120.138 120.300 -0.327 0.000 2.114 156 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 156 Y C 2.853 178.242 175.900 -0.851 0.000 1.165 156 Y CA 0.735 58.464 58.100 -0.618 0.000 1.148 156 Y CB -1.376 36.773 38.460 -0.518 0.000 0.972 156 Y HN 0.313 nan 8.280 nan 0.000 0.504 157 G N -0.365 108.291 108.800 -0.239 0.000 2.421 157 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 157 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 157 G C 1.577 176.430 174.900 -0.079 0.000 1.171 157 G CA 0.865 45.916 45.100 -0.081 0.000 0.775 157 G HN 0.279 nan 8.290 nan 0.000 0.543 158 E N 0.393 120.537 120.200 -0.093 0.000 2.219 158 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 158 E C 2.463 179.022 176.600 -0.069 0.000 0.998 158 E CA 0.661 57.023 56.400 -0.063 0.000 0.818 158 E CB -0.120 29.545 29.700 -0.058 0.000 0.741 158 E HN 0.564 nan 8.360 nan 0.000 0.477 159 I N -0.147 120.341 120.570 -0.137 0.000 2.339 159 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 159 I C 1.976 178.108 176.117 0.025 0.000 1.096 159 I CA 0.454 61.699 61.300 -0.093 0.000 1.408 159 I CB -0.263 37.648 38.000 -0.148 0.000 1.092 159 I HN -0.072 nan 8.210 nan 0.000 0.423 160 F N 1.177 121.142 119.950 0.024 0.000 2.154 160 F HA -0.241 4.286 4.527 0.000 0.000 0.301 160 F C 2.658 178.415 175.800 -0.071 0.000 1.087 160 F CA 1.421 59.417 58.000 -0.006 0.000 1.274 160 F CB -1.029 37.968 39.000 -0.004 0.000 1.009 160 F HN 0.014 nan 8.300 nan 0.000 0.485 161 R N -0.002 120.543 120.500 0.075 0.000 2.090 161 R HA -0.077 4.263 4.340 -0.000 0.000 0.228 161 R C 2.457 178.593 176.300 -0.274 0.000 1.110 161 R CA 0.666 56.669 56.100 -0.162 0.000 0.973 161 R CB 0.073 30.277 30.300 -0.160 0.000 0.869 161 R HN -0.000 nan 8.270 nan 0.000 0.440 162 R N 0.892 121.346 120.500 -0.078 0.000 2.073 162 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 162 R C 1.835 178.169 176.300 0.055 0.000 1.134 162 R CA 1.229 57.335 56.100 0.009 0.000 0.952 162 R CB -1.206 29.127 30.300 0.055 0.000 0.850 162 R HN 0.338 nan 8.270 nan 0.000 0.433 163 N N 0.256 119.006 118.700 0.083 0.000 2.132 163 N HA -0.136 4.604 4.740 -0.000 0.000 0.191 163 N C 1.669 177.229 175.510 0.082 0.000 1.015 163 N CA 1.888 55.007 53.050 0.115 0.000 0.864 163 N CB -0.489 38.093 38.487 0.158 0.000 1.006 163 N HN 0.252 nan 8.380 nan 0.000 0.430 164 T N 0.401 114.969 114.554 0.023 0.000 2.770 164 T HA -0.053 4.297 4.350 -0.000 0.000 0.263 164 T C 1.472 176.236 174.700 0.106 0.000 1.039 164 T CA 0.911 63.019 62.100 0.013 0.000 1.142 164 T CB -0.217 68.615 68.868 -0.059 0.000 0.868 164 T HN 0.294 nan 8.240 nan 0.000 0.435 165 H N 1.089 120.189 119.070 0.049 0.000 2.457 165 H HA 0.254 4.810 4.556 -0.000 0.000 0.294 165 H C 2.310 177.667 175.328 0.048 0.000 1.064 165 H CA 0.846 56.919 56.048 0.041 0.000 1.330 165 H CB -0.526 29.262 29.762 0.044 0.000 1.395 165 H HN 0.391 nan 8.280 nan 0.000 0.541 166 A N 0.037 122.972 122.820 0.191 0.000 2.081 166 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 166 A C 1.476 179.146 177.584 0.143 0.000 1.158 166 A CA 0.319 52.450 52.037 0.157 0.000 0.724 166 A CB -0.188 18.906 19.000 0.158 0.000 0.826 166 A HN 0.241 nan 8.150 nan 0.000 0.463 167 S N 0.268 116.040 115.700 0.120 0.000 2.629 167 S HA 0.338 4.808 4.470 -0.000 0.000 0.302 167 S C 1.339 175.960 174.600 0.035 0.000 1.244 167 S CA 0.961 59.217 58.200 0.094 0.000 1.098 167 S CB -0.581 62.652 63.200 0.054 0.000 0.858 167 S HN 1.870 nan 8.310 nan 0.000 0.502 168 G N 2.979 111.792 108.800 0.022 0.000 2.148 168 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.254 168 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.254 168 G C 0.522 175.276 174.900 -0.244 0.000 0.981 168 G CA 0.291 45.190 45.100 -0.334 0.000 0.670 168 G HN 0.808 nan 8.290 nan 0.000 0.528 169 V N 0.577 120.524 119.914 0.055 0.000 2.721 169 V HA 0.409 4.529 4.120 -0.000 0.000 0.236 169 V C 1.418 177.688 176.094 0.293 0.000 1.116 169 V CA 1.581 63.948 62.300 0.111 0.000 1.148 169 V CB 0.048 31.926 31.823 0.090 0.000 0.886 169 V HN 0.681 nan 8.190 nan 0.000 0.490 170 I N -1.282 119.482 120.570 0.322 0.000 2.646 170 I HA 0.609 4.779 4.170 -0.000 0.000 0.299 170 I C -3.036 173.229 176.117 0.246 0.000 1.036 170 I CA -2.738 58.729 61.300 0.278 0.000 1.074 170 I CB 1.951 40.040 38.000 0.149 0.000 1.258 170 I HN 0.008 nan 8.210 nan 0.000 0.430 171 P HA 0.183 nan 4.420 nan 0.000 0.269 171 P C -1.419 175.881 177.300 0.001 0.000 1.209 171 P CA 0.027 62.960 63.100 -0.279 0.000 0.776 171 P CB 0.481 31.879 31.700 -0.503 0.000 0.876 172 Q N 2.012 121.855 119.800 0.072 0.000 2.325 172 Q HA 0.583 4.923 4.340 -0.000 0.000 0.270 172 Q C -0.694 175.384 176.000 0.130 0.000 1.020 172 Q CA -0.428 55.442 55.803 0.113 0.000 0.785 172 Q CB 1.898 30.727 28.738 0.150 0.000 1.259 172 Q HN 0.388 nan 8.270 nan 0.000 0.452 173 I N 1.254 121.896 120.570 0.121 0.000 2.433 173 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 173 I C -0.330 175.855 176.117 0.114 0.000 1.001 173 I CA -0.711 60.683 61.300 0.157 0.000 1.119 173 I CB 2.084 40.166 38.000 0.137 0.000 1.289 173 I HN 0.466 nan 8.210 nan 0.000 0.438 174 S N 6.424 122.214 115.700 0.150 0.000 2.420 174 S HA 0.397 4.867 4.470 -0.000 0.000 0.313 174 S C -0.508 174.151 174.600 0.099 0.000 1.079 174 S CA -0.443 57.823 58.200 0.110 0.000 1.104 174 S CB 0.955 64.240 63.200 0.143 0.000 0.969 174 S HN 0.358 nan 8.310 nan 0.000 0.471 175 L N 6.281 127.525 121.223 0.036 0.000 2.255 175 L HA 0.508 4.848 4.340 -0.000 0.000 0.289 175 L C -0.922 175.966 176.870 0.029 0.000 1.046 175 L CA -0.152 54.711 54.840 0.039 0.000 0.816 175 L CB 0.594 42.658 42.059 0.008 0.000 1.197 175 L HN 0.385 nan 8.230 nan 0.000 0.427 176 V N 6.455 126.396 119.914 0.044 0.000 2.328 176 V HA 0.330 4.450 4.120 -0.000 0.000 0.278 176 V C 0.221 176.324 176.094 0.016 0.000 1.021 176 V CA -0.312 62.011 62.300 0.038 0.000 0.838 176 V CB 1.314 33.161 31.823 0.040 0.000 0.999 176 V HN 0.608 nan 8.190 nan 0.000 0.447 177 V N 2.054 121.974 119.914 0.010 0.000 2.647 177 V HA 0.973 5.093 4.120 -0.000 0.000 0.305 177 V C 0.294 176.368 176.094 -0.032 0.000 1.162 177 V CA 0.309 62.600 62.300 -0.015 0.000 1.248 177 V CB 0.048 31.864 31.823 -0.011 0.000 1.508 177 V HN 1.002 nan 8.190 nan 0.000 0.647 178 G N 1.094 109.883 108.800 -0.019 0.000 2.323 178 G HA2 0.465 4.425 3.960 -0.000 0.000 0.291 178 G HA3 0.465 4.425 3.960 -0.000 0.000 0.291 178 G C -3.632 171.313 174.900 0.075 0.000 1.278 178 G CA -0.296 44.784 45.100 -0.034 0.000 0.860 178 G HN 0.224 nan 8.290 nan 0.000 0.504 179 P HA 0.464 nan 4.420 nan 0.000 0.284 179 P C -0.814 176.534 177.300 0.080 0.000 1.253 179 P CA -0.297 62.908 63.100 0.177 0.000 0.800 179 P CB 1.825 33.646 31.700 0.202 0.000 0.961 180 C N 3.671 122.959 119.300 -0.019 0.000 2.335 180 C HA 0.758 5.218 4.460 -0.000 0.000 0.318 180 C C -0.069 174.698 174.990 -0.372 0.000 1.150 180 C CA -0.099 58.856 59.018 -0.105 0.000 1.466 180 C CB -0.908 26.797 27.740 -0.059 0.000 2.024 180 C HN 0.661 nan 8.230 nan 0.000 0.429 181 A N 4.944 127.537 122.820 -0.379 0.000 2.330 181 A HA 0.903 5.223 4.320 -0.000 0.000 0.327 181 A C 0.658 178.024 177.584 -0.362 0.000 1.155 181 A CA 0.688 52.350 52.037 -0.625 0.000 0.803 181 A CB 0.608 19.335 19.000 -0.455 0.000 1.208 181 A HN 2.514 nan 8.150 nan 0.000 0.477 182 G N 1.418 110.005 108.800 -0.354 0.000 2.569 182 G HA2 0.076 4.036 3.960 -0.000 0.000 0.259 182 G HA3 0.076 4.036 3.960 -0.000 0.000 0.259 182 G C 1.263 175.956 174.900 -0.346 0.000 1.263 182 G CA 0.488 45.451 45.100 -0.229 0.000 0.928 182 G HN 2.047 nan 8.290 nan 0.000 0.572 183 G N -0.117 108.509 108.800 -0.290 0.000 2.517 183 G HA2 0.128 4.088 3.960 -0.000 0.000 0.222 183 G HA3 0.128 4.088 3.960 -0.000 0.000 0.222 183 G C 2.195 176.831 174.900 -0.440 0.000 1.109 183 G CA 3.099 48.010 45.100 -0.315 0.000 0.746 183 G HN 2.078 nan 8.290 nan 0.000 0.576 184 A N 0.645 123.036 122.820 -0.715 0.000 1.958 184 A HA -0.104 4.216 4.320 -0.000 0.000 0.221 184 A C 2.608 180.060 177.584 -0.219 0.000 1.178 184 A CA 2.524 54.190 52.037 -0.619 0.000 0.642 184 A CB -0.885 17.935 19.000 -0.299 0.000 0.816 184 A HN 1.107 nan 8.150 nan 0.000 0.453 185 V N -4.336 115.399 119.914 -0.298 0.000 3.383 185 V HA -0.094 4.026 4.120 -0.000 0.000 0.272 185 V C 1.749 177.759 176.094 -0.138 0.000 1.181 185 V CA 1.395 63.552 62.300 -0.238 0.000 1.171 185 V CB -1.375 30.239 31.823 -0.348 0.000 0.800 185 V HN 0.492 nan 8.190 nan 0.000 0.515 186 Y N 0.630 120.909 120.300 -0.035 0.000 2.503 186 Y HA 0.201 4.751 4.550 0.000 0.000 0.278 186 Y C 2.842 178.738 175.900 -0.007 0.000 1.111 186 Y CA 0.446 58.440 58.100 -0.176 0.000 1.270 186 Y CB -0.335 37.741 38.460 -0.640 0.000 1.063 186 Y HN 0.415 nan 8.280 nan 0.000 0.548 187 S N 0.700 116.690 115.700 0.483 0.000 2.344 187 S HA -0.093 4.377 4.470 -0.000 0.000 0.217 187 S C -0.453 174.289 174.600 0.238 0.000 1.033 187 S CA 1.274 59.723 58.200 0.416 0.000 1.017 187 S CB -1.187 62.236 63.200 0.370 0.000 0.941 187 S HN 0.126 nan 8.310 nan 0.000 0.430 188 P HA -0.092 nan 4.420 nan 0.000 0.217 188 P C 1.423 178.791 177.300 0.113 0.000 1.148 188 P CA 1.768 64.956 63.100 0.146 0.000 0.834 188 P CB -0.333 31.426 31.700 0.099 0.000 0.783 189 A N -1.063 121.815 122.820 0.096 0.000 1.933 189 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 189 A C 2.143 179.758 177.584 0.052 0.000 1.175 189 A CA 1.417 53.492 52.037 0.063 0.000 0.628 189 A CB -1.462 17.590 19.000 0.087 0.000 0.814 189 A HN 0.170 nan 8.150 nan 0.000 0.444 190 I N 0.469 121.075 120.570 0.060 0.000 2.617 190 I HA -0.077 4.093 4.170 -0.000 0.000 0.256 190 I C 1.480 177.639 176.117 0.071 0.000 1.167 190 I CA 0.685 62.010 61.300 0.042 0.000 1.469 190 I CB -0.494 37.527 38.000 0.034 0.000 1.098 190 I HN 0.415 nan 8.210 nan 0.000 0.436 191 T N -1.700 112.917 114.554 0.106 0.000 2.855 191 T HA -0.044 4.306 4.350 -0.000 0.000 0.314 191 T C 0.898 175.630 174.700 0.053 0.000 1.077 191 T CA -0.329 61.837 62.100 0.110 0.000 1.095 191 T CB 0.851 69.807 68.868 0.147 0.000 0.987 191 T HN 0.111 nan 8.240 nan 0.000 0.546 192 D N 0.326 120.725 120.400 -0.002 0.000 2.149 192 D HA 0.076 4.716 4.640 -0.000 0.000 0.201 192 D C 0.033 175.927 176.300 -0.677 0.000 0.972 192 D CA 1.274 55.114 54.000 -0.265 0.000 0.835 192 D CB 0.049 40.727 40.800 -0.202 0.000 0.966 192 D HN 0.554 nan 8.370 nan 0.000 0.476 193 F N -0.296 119.654 119.950 -0.001 0.000 2.569 193 F HA 0.286 4.813 4.527 0.000 0.000 0.312 193 F C -0.163 175.751 175.800 0.190 0.000 1.109 193 F CA -0.778 57.167 58.000 -0.092 0.000 0.919 193 F CB 2.427 41.403 39.000 -0.041 0.000 1.211 193 F HN -0.481 nan 8.300 nan 0.000 0.446 194 T N 2.789 117.737 114.554 0.657 0.000 2.809 194 T HA 0.570 4.920 4.350 -0.000 0.000 0.284 194 T C -0.943 173.947 174.700 0.317 0.000 0.992 194 T CA -0.624 61.707 62.100 0.385 0.000 0.957 194 T CB 1.564 70.582 68.868 0.249 0.000 0.942 194 T HN 0.247 nan 8.240 nan 0.000 0.439 195 V N 4.994 125.032 119.914 0.208 0.000 2.357 195 V HA 0.514 4.634 4.120 -0.000 0.000 0.284 195 V C -0.126 176.011 176.094 0.071 0.000 1.018 195 V CA -0.646 61.738 62.300 0.140 0.000 0.841 195 V CB 1.312 33.234 31.823 0.166 0.000 0.991 195 V HN 0.852 nan 8.190 nan 0.000 0.437 196 M N 4.291 123.904 119.600 0.021 0.000 2.705 196 M HA 0.681 5.161 4.480 -0.000 0.000 0.311 196 M C -0.684 175.588 176.300 -0.047 0.000 1.214 196 M CA -1.006 54.286 55.300 -0.013 0.000 0.920 196 M CB 2.455 35.043 32.600 -0.019 0.000 1.687 196 M HN 0.546 nan 8.290 nan 0.000 0.481 197 V N -0.887 118.993 119.914 -0.056 0.000 2.378 197 V HA 0.341 4.461 4.120 -0.000 0.000 0.288 197 V C 0.330 176.368 176.094 -0.094 0.000 1.016 197 V CA -0.755 61.505 62.300 -0.066 0.000 0.840 197 V CB 1.144 32.945 31.823 -0.037 0.000 0.994 197 V HN 0.984 nan 8.190 nan 0.000 0.431 198 D N 4.066 124.408 120.400 -0.095 0.000 2.164 198 D HA -0.383 4.257 4.640 -0.000 0.000 0.595 198 D C 1.494 177.731 176.300 -0.104 0.000 0.823 198 D CA 3.042 56.988 54.000 -0.090 0.000 1.672 198 D CB 0.018 40.779 40.800 -0.065 0.000 0.508 198 D HN 0.946 nan 8.370 nan 0.000 0.376 199 Q N -1.726 118.024 119.800 -0.084 0.000 2.319 199 Q HA 0.210 4.550 4.340 -0.000 0.000 0.209 199 Q C 0.761 176.712 176.000 -0.082 0.000 0.884 199 Q CA 1.196 56.961 55.803 -0.063 0.000 0.938 199 Q CB 0.557 29.284 28.738 -0.017 0.000 1.098 199 Q HN 0.457 nan 8.270 nan 0.000 0.517 200 T N -2.537 111.941 114.554 -0.128 0.000 3.252 200 T HA 0.401 4.751 4.350 -0.000 0.000 0.286 200 T C -0.086 174.530 174.700 -0.140 0.000 1.013 200 T CA 0.075 62.125 62.100 -0.083 0.000 0.914 200 T CB 0.019 68.855 68.868 -0.053 0.000 1.131 200 T HN 0.101 nan 8.240 nan 0.000 0.529 201 S N 0.671 116.156 115.700 -0.358 0.000 2.546 201 S HA 0.747 5.217 4.470 -0.000 0.000 0.272 201 S C -1.610 172.682 174.600 -0.514 0.000 1.140 201 S CA -0.838 57.211 58.200 -0.253 0.000 0.920 201 S CB 1.334 64.468 63.200 -0.111 0.000 1.083 201 S HN 0.479 nan 8.310 nan 0.000 0.476 202 H N 1.310 120.471 119.070 0.151 0.000 2.930 202 H HA 0.688 5.244 4.556 -0.000 0.000 0.371 202 H C -0.851 174.664 175.328 0.311 0.000 1.169 202 H CA -0.829 55.390 56.048 0.285 0.000 1.157 202 H CB 1.483 31.469 29.762 0.372 0.000 1.789 202 H HN 0.634 nan 8.280 nan 0.000 0.547 203 M N 3.063 122.969 119.600 0.510 0.000 2.326 203 M HA 0.544 5.024 4.480 -0.000 0.000 0.306 203 M C -1.607 174.995 176.300 0.503 0.000 1.054 203 M CA -0.719 54.733 55.300 0.254 0.000 0.922 203 M CB 1.790 34.328 32.600 -0.105 0.000 1.632 203 M HN 0.649 nan 8.290 nan 0.000 0.436 204 F N 0.384 120.410 119.950 0.125 0.000 2.672 204 F HA 0.507 5.034 4.527 -0.000 0.000 0.311 204 F C -0.377 175.418 175.800 -0.007 0.000 1.113 204 F CA -1.050 57.007 58.000 0.095 0.000 0.996 204 F CB 0.709 39.782 39.000 0.122 0.000 1.286 204 F HN 0.424 nan 8.300 nan 0.000 0.441 205 I N 1.049 121.654 120.570 0.059 0.000 2.703 205 I HA 0.207 4.377 4.170 -0.000 0.000 0.259 205 I C 0.319 176.471 176.117 0.058 0.000 1.151 205 I CA 1.060 62.312 61.300 -0.081 0.000 1.470 205 I CB 0.114 38.040 38.000 -0.123 0.000 1.112 205 I HN 0.717 nan 8.210 nan 0.000 0.437 206 T N 0.787 115.468 114.554 0.212 0.000 2.841 206 T HA 0.602 4.952 4.350 -0.000 0.000 0.285 206 T C 0.009 174.882 174.700 0.288 0.000 0.991 206 T CA -0.429 61.793 62.100 0.203 0.000 0.966 206 T CB 1.303 70.224 68.868 0.090 0.000 0.962 206 T HN 0.270 nan 8.240 nan 0.000 0.438 207 G N 3.358 112.324 108.800 0.276 0.000 2.544 207 G HA2 0.333 4.293 3.960 -0.000 0.000 0.242 207 G HA3 0.333 4.293 3.960 -0.000 0.000 0.242 207 G C -1.128 173.669 174.900 -0.172 0.000 1.247 207 G CA -1.213 43.938 45.100 0.084 0.000 0.840 207 G HN 0.406 nan 8.290 nan 0.000 0.578 208 P HA -0.119 nan 4.420 nan 0.000 0.220 208 P C 1.095 178.245 177.300 -0.251 0.000 1.148 208 P CA 1.432 64.255 63.100 -0.461 0.000 0.803 208 P CB 0.205 31.418 31.700 -0.812 0.000 0.782 209 D N -0.068 120.227 120.400 -0.175 0.000 2.224 209 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 209 D C 1.866 178.138 176.300 -0.046 0.000 0.965 209 D CA 0.691 54.643 54.000 -0.079 0.000 0.852 209 D CB -1.091 39.697 40.800 -0.019 0.000 0.947 209 D HN 0.060 nan 8.370 nan 0.000 0.494 210 V N 1.206 121.100 119.914 -0.033 0.000 2.379 210 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 210 V C 2.713 178.791 176.094 -0.027 0.000 1.044 210 V CA 0.897 63.190 62.300 -0.011 0.000 1.036 210 V CB -0.417 31.416 31.823 0.017 0.000 0.664 210 V HN 0.120 nan 8.190 nan 0.000 0.453 211 I N 0.432 120.971 120.570 -0.051 0.000 2.502 211 I HA -0.289 3.881 4.170 -0.000 0.000 0.258 211 I C 2.441 178.524 176.117 -0.057 0.000 1.172 211 I CA 1.771 63.036 61.300 -0.058 0.000 1.430 211 I CB -0.331 37.614 38.000 -0.091 0.000 1.086 211 I HN 0.348 nan 8.210 nan 0.000 0.440 212 K N 0.521 120.883 120.400 -0.062 0.000 2.078 212 K HA -0.087 4.233 4.320 -0.000 0.000 0.203 212 K C 2.064 178.644 176.600 -0.032 0.000 1.043 212 K CA 1.453 57.708 56.287 -0.053 0.000 0.960 212 K CB -0.155 32.309 32.500 -0.060 0.000 0.761 212 K HN 0.052 nan 8.250 nan 0.000 0.448 213 T N 1.060 115.599 114.554 -0.025 0.000 2.720 213 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 213 T C 1.793 176.486 174.700 -0.011 0.000 1.037 213 T CA 1.723 63.815 62.100 -0.014 0.000 1.144 213 T CB -0.050 68.815 68.868 -0.006 0.000 0.864 213 T HN 0.070 nan 8.240 nan 0.000 0.444 214 V N 0.943 120.850 119.914 -0.012 0.000 2.725 214 V HA 0.093 4.213 4.120 -0.000 0.000 0.247 214 V C 1.459 177.546 176.094 -0.011 0.000 1.058 214 V CA 1.221 63.516 62.300 -0.008 0.000 1.080 214 V CB -0.577 31.244 31.823 -0.004 0.000 0.713 214 V HN 0.650 nan 8.190 nan 0.000 0.465 215 T N -3.390 111.153 114.554 -0.017 0.000 2.831 215 T HA 0.593 4.943 4.350 -0.000 0.000 0.287 215 T C 1.074 175.760 174.700 -0.023 0.000 1.070 215 T CA 0.135 62.224 62.100 -0.018 0.000 1.010 215 T CB 1.491 70.347 68.868 -0.019 0.000 1.264 215 T HN 0.091 nan 8.240 nan 0.000 0.532 216 G N 0.134 108.921 108.800 -0.022 0.000 2.394 216 G HA2 0.041 4.001 3.960 -0.000 0.000 0.215 216 G HA3 0.041 4.001 3.960 -0.000 0.000 0.215 216 G C 0.489 175.370 174.900 -0.031 0.000 1.165 216 G CA 0.208 45.294 45.100 -0.023 0.000 0.784 216 G HN 1.023 nan 8.290 nan 0.000 0.535 217 E N 1.564 121.742 120.200 -0.035 0.000 2.694 217 E HA 0.014 4.364 4.350 -0.000 0.000 0.250 217 E C -1.256 175.308 176.600 -0.061 0.000 0.963 217 E CA 0.111 56.484 56.400 -0.045 0.000 0.949 217 E CB 0.514 30.186 29.700 -0.047 0.000 0.911 217 E HN 0.140 nan 8.360 nan 0.000 0.500 218 D N 2.650 123.015 120.400 -0.059 0.000 2.232 218 D HA 0.372 5.012 4.640 -0.000 0.000 0.242 218 D C -1.332 174.914 176.300 -0.090 0.000 1.093 218 D CA -0.319 53.637 54.000 -0.073 0.000 0.845 218 D CB 1.575 42.342 40.800 -0.055 0.000 1.124 218 D HN 0.259 nan 8.370 nan 0.000 0.467 219 V N 2.062 121.896 119.914 -0.132 0.000 3.087 219 V HA 0.811 4.931 4.120 -0.000 0.000 0.306 219 V C -0.067 175.896 176.094 -0.218 0.000 1.187 219 V CA -0.512 61.695 62.300 -0.155 0.000 0.999 219 V CB 2.193 33.914 31.823 -0.170 0.000 1.049 219 V HN 0.561 nan 8.190 nan 0.000 0.431 220 G N 1.876 110.572 108.800 -0.175 0.000 2.434 220 G HA2 0.492 4.452 3.960 -0.000 0.000 0.330 220 G HA3 0.492 4.452 3.960 -0.000 0.000 0.330 220 G C 0.109 174.874 174.900 -0.226 0.000 1.155 220 G CA -0.353 44.651 45.100 -0.161 0.000 0.917 220 G HN 0.643 nan 8.290 nan 0.000 0.493 221 F N -0.117 119.695 119.950 -0.229 0.000 2.126 221 F HA -0.092 4.435 4.527 0.000 0.000 0.299 221 F C 2.594 178.311 175.800 -0.139 0.000 1.096 221 F CA 1.671 59.466 58.000 -0.341 0.000 1.255 221 F CB 0.011 38.693 39.000 -0.530 0.000 0.997 221 F HN 0.522 nan 8.300 nan 0.000 0.479 222 E N 0.695 120.985 120.200 0.151 0.000 2.058 222 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 222 E C 2.036 178.684 176.600 0.081 0.000 0.997 222 E CA 1.635 58.161 56.400 0.209 0.000 0.801 222 E CB -0.276 29.515 29.700 0.153 0.000 0.746 222 E HN 0.418 nan 8.360 nan 0.000 0.450 223 E N -0.519 119.686 120.200 0.007 0.000 2.031 223 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 223 E C 2.085 178.641 176.600 -0.073 0.000 0.994 223 E CA 1.109 57.486 56.400 -0.039 0.000 0.800 223 E CB -0.255 29.412 29.700 -0.056 0.000 0.752 223 E HN 0.201 nan 8.360 nan 0.000 0.447 224 L N -0.193 120.966 121.223 -0.106 0.000 1.956 224 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 224 L C 1.530 178.338 176.870 -0.104 0.000 1.073 224 L CA 2.490 57.249 54.840 -0.134 0.000 0.762 224 L CB -0.458 41.445 42.059 -0.260 0.000 0.889 224 L HN 0.156 nan 8.230 nan 0.000 0.433 225 G N -1.449 107.339 108.800 -0.019 0.000 5.084 225 G HA2 0.427 4.387 3.960 -0.000 0.000 0.241 225 G HA3 0.427 4.387 3.960 -0.000 0.000 0.241 225 G C 0.308 175.298 174.900 0.150 0.000 0.918 225 G CA 0.039 45.119 45.100 -0.033 0.000 0.754 225 G HN 0.668 nan 8.290 nan 0.000 0.478 226 G N -0.387 108.465 108.800 0.086 0.000 2.636 226 G HA2 0.484 4.444 3.960 -0.000 0.000 0.246 226 G HA3 0.484 4.444 3.960 -0.000 0.000 0.246 226 G C 1.342 176.240 174.900 -0.004 0.000 1.216 226 G CA 0.394 45.545 45.100 0.085 0.000 0.854 226 G HN 0.643 nan 8.290 nan 0.000 0.572 227 A N 0.863 123.644 122.820 -0.063 0.000 1.873 227 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 227 A C 2.369 179.935 177.584 -0.030 0.000 1.193 227 A CA 2.182 54.197 52.037 -0.037 0.000 0.629 227 A CB -0.591 18.352 19.000 -0.095 0.000 0.826 227 A HN 0.734 nan 8.150 nan 0.000 0.447 228 R N -1.247 119.223 120.500 -0.050 0.000 2.083 228 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 228 R C 2.284 178.563 176.300 -0.036 0.000 1.137 228 R CA 2.144 58.218 56.100 -0.042 0.000 0.951 228 R CB -0.812 29.466 30.300 -0.036 0.000 0.851 228 R HN 0.482 nan 8.270 nan 0.000 0.434 229 T N 0.371 114.882 114.554 -0.071 0.000 2.635 229 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 229 T C 1.487 176.114 174.700 -0.122 0.000 1.040 229 T CA 1.637 63.663 62.100 -0.123 0.000 1.156 229 T CB -0.373 68.359 68.868 -0.227 0.000 0.863 229 T HN 0.417 nan 8.240 nan 0.000 0.430 230 H N 0.651 119.705 119.070 -0.027 0.000 2.546 230 H HA 0.140 4.696 4.556 -0.000 0.000 0.277 230 H C 2.189 177.437 175.328 -0.133 0.000 1.004 230 H CA 0.510 56.513 56.048 -0.076 0.000 1.231 230 H CB -0.063 29.662 29.762 -0.061 0.000 1.382 230 H HN 0.334 nan 8.280 nan 0.000 0.580 231 N N 0.003 118.710 118.700 0.012 0.000 2.402 231 N HA -0.059 4.681 4.740 -0.000 0.000 0.174 231 N C 1.618 177.171 175.510 0.073 0.000 1.027 231 N CA 0.980 54.020 53.050 -0.016 0.000 0.891 231 N CB 0.515 38.979 38.487 -0.039 0.000 1.016 231 N HN 0.332 nan 8.380 nan 0.000 0.439 232 S N -1.693 114.072 115.700 0.108 0.000 2.539 232 S HA 0.164 4.634 4.470 -0.000 0.000 0.226 232 S C 1.681 176.464 174.600 0.306 0.000 1.054 232 S CA 0.102 58.428 58.200 0.211 0.000 0.910 232 S CB 0.446 63.712 63.200 0.109 0.000 0.818 232 S HN 0.003 nan 8.310 nan 0.000 0.490 233 T N 2.700 117.366 114.554 0.187 0.000 3.082 233 T HA 0.104 4.454 4.350 -0.000 0.000 0.235 233 T C 2.223 177.051 174.700 0.212 0.000 0.991 233 T CA 1.200 63.406 62.100 0.177 0.000 1.220 233 T CB -0.505 68.396 68.868 0.056 0.000 0.909 233 T HN 0.581 nan 8.240 nan 0.000 0.424 234 S N 0.713 116.449 115.700 0.059 0.000 2.461 234 S HA 0.274 4.744 4.470 -0.000 0.000 0.228 234 S C 2.010 176.475 174.600 -0.226 0.000 1.005 234 S CA 0.996 59.214 58.200 0.031 0.000 0.942 234 S CB -0.502 62.805 63.200 0.178 0.000 0.776 234 S HN 0.883 nan 8.310 nan 0.000 0.514 235 G N 0.477 108.843 108.800 -0.724 0.000 2.179 235 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 235 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 235 G C 0.879 175.312 174.900 -0.779 0.000 0.977 235 G CA 0.752 44.859 45.100 -1.656 0.000 0.641 235 G HN 1.438 nan 8.290 nan 0.000 0.533 236 V N -1.568 118.098 119.914 -0.413 0.000 2.446 236 V HA 0.677 4.797 4.120 -0.000 0.000 0.244 236 V C 1.638 177.516 176.094 -0.360 0.000 1.039 236 V CA 1.758 63.864 62.300 -0.324 0.000 1.045 236 V CB -0.294 31.379 31.823 -0.250 0.000 0.681 236 V HN 1.750 nan 8.190 nan 0.000 0.459 237 A N -0.191 122.468 122.820 -0.268 0.000 2.304 237 A HA 0.512 4.832 4.320 -0.000 0.000 0.271 237 A C 0.764 178.193 177.584 -0.258 0.000 1.091 237 A CA -0.017 51.916 52.037 -0.175 0.000 0.812 237 A CB 0.127 19.098 19.000 -0.048 0.000 1.056 237 A HN 0.639 nan 8.150 nan 0.000 0.489 238 H N -0.196 118.930 119.070 0.094 0.000 2.705 238 H HA 0.181 4.737 4.556 -0.000 0.000 0.269 238 H C -0.121 175.279 175.328 0.120 0.000 0.998 238 H CA 0.546 56.697 56.048 0.172 0.000 1.193 238 H CB 0.393 30.389 29.762 0.390 0.000 1.485 238 H HN 0.772 nan 8.280 nan 0.000 0.521 239 H N -0.008 119.040 119.070 -0.038 0.000 3.081 239 H HA 0.196 4.752 4.556 -0.000 0.000 0.322 239 H C -1.688 173.514 175.328 -0.210 0.000 1.266 239 H CA -0.515 55.378 56.048 -0.258 0.000 1.279 239 H CB 2.157 31.433 29.762 -0.811 0.000 1.954 239 H HN 0.134 nan 8.280 nan 0.000 0.530 240 M N 3.943 123.005 119.600 -0.895 0.000 2.190 240 M HA 0.673 5.153 4.480 -0.000 0.000 0.312 240 M C -1.426 174.484 176.300 -0.650 0.000 0.990 240 M CA -0.476 54.502 55.300 -0.537 0.000 0.927 240 M CB 1.307 33.725 32.600 -0.302 0.000 1.571 240 M HN 0.580 nan 8.290 nan 0.000 0.427 241 A N 3.088 125.758 122.820 -0.251 0.000 2.282 241 A HA 0.701 5.021 4.320 -0.000 0.000 0.319 241 A C 0.904 178.460 177.584 -0.047 0.000 1.121 241 A CA -0.221 51.786 52.037 -0.050 0.000 0.836 241 A CB 0.874 19.934 19.000 0.101 0.000 1.146 241 A HN 1.095 nan 8.150 nan 0.000 0.494 242 G N -0.300 108.498 108.800 -0.003 0.000 2.448 242 G HA2 0.265 4.225 3.960 -0.000 0.000 0.218 242 G HA3 0.265 4.225 3.960 -0.000 0.000 0.218 242 G C 0.250 175.149 174.900 -0.002 0.000 1.135 242 G CA 1.357 46.452 45.100 -0.008 0.000 0.784 242 G HN 1.101 nan 8.290 nan 0.000 0.543 243 D N -3.811 116.597 120.400 0.014 0.000 2.792 243 D HA 0.142 4.782 4.640 -0.000 0.000 0.335 243 D C 0.643 176.957 176.300 0.023 0.000 1.353 243 D CA -0.652 53.355 54.000 0.011 0.000 0.839 243 D CB 0.118 40.924 40.800 0.011 0.000 1.396 243 D HN -0.075 nan 8.370 nan 0.000 0.479 244 E N -0.190 120.021 120.200 0.017 0.000 2.051 244 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 244 E C 1.716 178.335 176.600 0.031 0.000 0.991 244 E CA 1.479 57.891 56.400 0.020 0.000 0.799 244 E CB -0.142 29.565 29.700 0.012 0.000 0.748 244 E HN 0.549 nan 8.360 nan 0.000 0.449 245 K N 0.937 121.354 120.400 0.028 0.000 2.211 245 K HA -0.160 4.160 4.320 -0.000 0.000 0.203 245 K C 1.164 177.794 176.600 0.050 0.000 1.050 245 K CA 1.604 57.908 56.287 0.029 0.000 0.945 245 K CB 0.099 32.610 32.500 0.019 0.000 0.732 245 K HN -0.045 nan 8.250 nan 0.000 0.451 246 D N 1.573 122.013 120.400 0.067 0.000 2.123 246 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 246 D C 2.068 178.460 176.300 0.153 0.000 0.976 246 D CA 1.433 55.498 54.000 0.108 0.000 0.831 246 D CB -0.226 40.641 40.800 0.111 0.000 0.974 246 D HN 0.385 nan 8.370 nan 0.000 0.469 247 A N 1.117 124.014 122.820 0.128 0.000 1.851 247 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 247 A C 2.582 180.253 177.584 0.144 0.000 1.195 247 A CA 1.691 53.816 52.037 0.145 0.000 0.622 247 A CB -1.015 18.036 19.000 0.085 0.000 0.831 247 A HN 0.126 nan 8.150 nan 0.000 0.444 248 V N 0.316 120.280 119.914 0.083 0.000 2.317 248 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 248 V C 2.653 178.783 176.094 0.060 0.000 1.065 248 V CA 2.721 65.052 62.300 0.052 0.000 1.049 248 V CB -0.866 30.967 31.823 0.017 0.000 0.651 248 V HN 0.810 nan 8.190 nan 0.000 0.450 249 E N -0.319 119.926 120.200 0.074 0.000 2.072 249 E HA -0.268 4.082 4.350 -0.000 0.000 0.191 249 E C 2.079 178.723 176.600 0.072 0.000 0.985 249 E CA 1.640 58.072 56.400 0.053 0.000 0.801 249 E CB -0.602 29.133 29.700 0.058 0.000 0.750 249 E HN 0.668 nan 8.360 nan 0.000 0.452 250 Y N -0.069 120.250 120.300 0.032 0.000 2.241 250 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 250 Y C 1.944 177.874 175.900 0.050 0.000 1.166 250 Y CA 1.680 59.812 58.100 0.053 0.000 1.203 250 Y CB -0.005 38.410 38.460 -0.076 0.000 0.977 250 Y HN -0.002 nan 8.280 nan 0.000 0.529 251 V N -0.003 120.000 119.914 0.148 0.000 2.379 251 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 251 V C 2.157 178.206 176.094 -0.076 0.000 1.044 251 V CA 2.176 64.511 62.300 0.060 0.000 1.036 251 V CB -0.487 31.373 31.823 0.062 0.000 0.664 251 V HN 0.280 nan 8.190 nan 0.000 0.453 252 K N -0.552 119.795 120.400 -0.088 0.000 2.057 252 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 252 K C 2.394 178.845 176.600 -0.249 0.000 1.049 252 K CA 1.278 57.483 56.287 -0.138 0.000 0.931 252 K CB -0.210 32.227 32.500 -0.106 0.000 0.714 252 K HN 0.353 nan 8.250 nan 0.000 0.440 253 Q N 0.513 120.111 119.800 -0.337 0.000 2.050 253 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 253 Q C 2.214 177.829 176.000 -0.642 0.000 0.980 253 Q CA 1.194 56.636 55.803 -0.603 0.000 0.840 253 Q CB -0.331 27.879 28.738 -0.881 0.000 0.898 253 Q HN 0.199 nan 8.270 nan 0.000 0.424 254 L N 0.838 121.744 121.223 -0.527 0.000 1.990 254 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 254 L C 2.320 178.987 176.870 -0.339 0.000 1.072 254 L CA 1.609 56.221 54.840 -0.380 0.000 0.755 254 L CB -0.856 41.047 42.059 -0.260 0.000 0.889 254 L HN 0.204 nan 8.230 nan 0.000 0.432 255 L N -0.973 120.091 121.223 -0.265 0.000 2.187 255 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 255 L C 2.448 179.161 176.870 -0.262 0.000 1.100 255 L CA 1.328 56.032 54.840 -0.226 0.000 0.765 255 L CB -0.766 41.200 42.059 -0.155 0.000 0.904 255 L HN 0.491 nan 8.230 nan 0.000 0.437 256 S N -1.732 113.760 115.700 -0.347 0.000 2.522 256 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 256 S C 1.572 175.869 174.600 -0.506 0.000 0.986 256 S CA 0.335 58.296 58.200 -0.399 0.000 0.929 256 S CB -0.369 62.539 63.200 -0.486 0.000 0.769 256 S HN 0.433 nan 8.310 nan 0.000 0.529 257 Y N 1.250 121.303 120.300 -0.413 0.000 2.500 257 Y HA 0.502 5.052 4.550 0.000 0.000 0.270 257 Y C 0.789 176.445 175.900 -0.405 0.000 1.134 257 Y CA -0.359 57.474 58.100 -0.444 0.000 1.293 257 Y CB 0.108 38.101 38.460 -0.778 0.000 1.063 257 Y HN 0.190 nan 8.280 nan 0.000 0.534 258 L N 2.035 123.101 121.223 -0.262 0.000 2.334 258 L HA 0.432 4.772 4.340 -0.000 0.000 0.272 258 L C -2.268 174.511 176.870 -0.153 0.000 1.020 258 L CA -2.337 52.367 54.840 -0.225 0.000 0.812 258 L CB 1.589 43.450 42.059 -0.330 0.000 1.264 258 L HN -0.218 nan 8.230 nan 0.000 0.439 259 P HA 0.134 nan 4.420 nan 0.000 0.274 259 P C -0.014 177.246 177.300 -0.067 0.000 1.256 259 P CA -0.390 62.685 63.100 -0.043 0.000 0.795 259 P CB 0.948 32.678 31.700 0.049 0.000 1.038 260 S N 0.020 115.698 115.700 -0.036 0.000 2.447 260 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 260 S C 0.855 175.464 174.600 0.015 0.000 1.006 260 S CA 1.252 59.437 58.200 -0.024 0.000 0.957 260 S CB -0.760 62.431 63.200 -0.014 0.000 0.773 260 S HN 0.794 nan 8.310 nan 0.000 0.507 261 N N -0.425 118.315 118.700 0.066 0.000 3.261 261 N HA 0.109 4.849 4.740 -0.000 0.000 0.248 261 N C -0.579 175.049 175.510 0.197 0.000 1.498 261 N CA -0.521 52.618 53.050 0.148 0.000 0.884 261 N CB -0.017 38.524 38.487 0.090 0.000 1.428 261 N HN -0.085 nan 8.380 nan 0.000 0.517 262 N N -0.278 118.535 118.700 0.188 0.000 2.461 262 N HA 0.030 4.770 4.740 -0.000 0.000 0.188 262 N C 0.113 175.659 175.510 0.059 0.000 1.134 262 N CA 0.462 53.585 53.050 0.122 0.000 0.878 262 N CB -0.233 38.250 38.487 -0.006 0.000 0.972 262 N HN 0.665 nan 8.380 nan 0.000 0.456 263 L N -0.590 120.664 121.223 0.051 0.000 2.628 263 L HA 0.275 4.615 4.340 -0.000 0.000 0.229 263 L C -0.092 176.791 176.870 0.021 0.000 1.137 263 L CA -0.085 54.770 54.840 0.024 0.000 0.909 263 L CB -0.032 42.034 42.059 0.012 0.000 1.137 263 L HN 0.002 nan 8.230 nan 0.000 0.470 264 S N -0.779 114.942 115.700 0.036 0.000 2.599 264 S HA 0.379 4.849 4.470 -0.000 0.000 0.287 264 S C -0.544 174.075 174.600 0.031 0.000 1.105 264 S CA -0.910 57.303 58.200 0.020 0.000 0.899 264 S CB 2.032 65.235 63.200 0.005 0.000 1.100 264 S HN 0.184 nan 8.310 nan 0.000 0.482 265 E N 0.961 121.169 120.200 0.014 0.000 2.392 265 E HA 0.362 4.712 4.350 -0.000 0.000 0.259 265 E C -2.737 173.865 176.600 0.004 0.000 1.108 265 E CA -1.764 54.647 56.400 0.019 0.000 0.916 265 E CB -0.624 29.081 29.700 0.007 0.000 0.989 265 E HN 0.163 nan 8.360 nan 0.000 0.432 266 P HA 0.030 nan 4.420 nan 0.000 0.269 266 P C -2.377 174.881 177.300 -0.069 0.000 1.217 266 P CA -0.934 62.156 63.100 -0.016 0.000 0.783 266 P CB -0.315 31.399 31.700 0.025 0.000 0.898 267 P HA 0.140 nan 4.420 nan 0.000 0.270 267 P C -1.021 176.103 177.300 -0.293 0.000 1.242 267 P CA 0.251 63.214 63.100 -0.229 0.000 0.768 267 P CB 0.219 31.787 31.700 -0.219 0.000 0.820 268 A N 4.177 126.779 122.820 -0.363 0.000 2.317 268 A HA 0.652 4.972 4.320 -0.000 0.000 0.327 268 A C -0.841 176.424 177.584 -0.531 0.000 1.178 268 A CA -0.586 51.283 52.037 -0.280 0.000 0.817 268 A CB 0.314 19.235 19.000 -0.133 0.000 1.189 268 A HN 0.398 nan 8.150 nan 0.000 0.489 269 F N 3.041 122.971 119.950 -0.034 0.000 2.363 269 F HA 0.345 4.872 4.527 -0.000 0.000 0.366 269 F C -2.193 173.600 175.800 -0.012 0.000 1.083 269 F CA -2.055 55.927 58.000 -0.030 0.000 1.176 269 F CB 1.038 40.011 39.000 -0.045 0.000 1.432 269 F HN 0.327 nan 8.300 nan 0.000 0.482 270 P HA 0.117 nan 4.420 nan 0.000 0.267 270 P C -0.757 176.590 177.300 0.078 0.000 1.200 270 P CA -0.012 63.127 63.100 0.065 0.000 0.772 270 P CB 0.575 32.293 31.700 0.029 0.000 0.855 271 E N -0.321 119.918 120.200 0.065 0.000 2.422 271 E HA 0.236 4.586 4.350 -0.000 0.000 0.289 271 E C -1.278 175.351 176.600 0.047 0.000 0.985 271 E CA -0.901 55.532 56.400 0.055 0.000 0.812 271 E CB 0.876 30.611 29.700 0.059 0.000 1.226 271 E HN 0.278 nan 8.360 nan 0.000 0.419 272 E N 1.353 121.575 120.200 0.037 0.000 2.415 272 E HA 0.283 4.633 4.350 -0.000 0.000 0.263 272 E C -0.194 176.427 176.600 0.035 0.000 0.995 272 E CA 0.149 56.568 56.400 0.032 0.000 0.915 272 E CB 0.964 30.678 29.700 0.024 0.000 0.951 272 E HN 0.533 nan 8.360 nan 0.000 0.449 273 A N 3.464 126.306 122.820 0.037 0.000 2.351 273 A HA 0.035 4.355 4.320 -0.000 0.000 0.257 273 A C -0.015 177.587 177.584 0.029 0.000 1.087 273 A CA -0.498 51.562 52.037 0.039 0.000 0.798 273 A CB 0.538 19.566 19.000 0.047 0.000 1.033 273 A HN 0.603 nan 8.150 nan 0.000 0.488 274 D N 1.281 121.697 120.400 0.027 0.000 2.338 274 D HA 0.229 4.869 4.640 -0.000 0.000 0.255 274 D C 0.401 176.712 176.300 0.018 0.000 1.237 274 D CA 0.157 54.169 54.000 0.019 0.000 0.883 274 D CB 0.236 41.045 40.800 0.015 0.000 1.087 274 D HN 0.372 nan 8.370 nan 0.000 0.485 275 L N 2.482 123.713 121.223 0.012 0.000 2.627 275 L HA 0.275 4.615 4.340 -0.000 0.000 0.232 275 L C 0.867 177.738 176.870 0.001 0.000 1.150 275 L CA -0.210 54.634 54.840 0.006 0.000 0.917 275 L CB -0.105 41.955 42.059 0.001 0.000 1.104 275 L HN 0.325 nan 8.230 nan 0.000 0.445 276 A N -0.225 122.597 122.820 0.004 0.000 2.325 276 A HA 0.583 4.903 4.320 -0.000 0.000 0.333 276 A C -0.094 177.492 177.584 0.003 0.000 1.155 276 A CA -0.460 51.577 52.037 0.001 0.000 0.814 276 A CB 1.002 20.002 19.000 0.000 0.000 1.206 276 A HN -0.107 nan 8.150 nan 0.000 0.482 277 V N 2.279 122.193 119.914 0.000 0.000 2.673 277 V HA 0.301 4.421 4.120 -0.000 0.000 0.303 277 V C 1.158 177.253 176.094 0.001 0.000 1.046 277 V CA 0.904 63.205 62.300 0.002 0.000 1.126 277 V CB 0.452 32.272 31.823 -0.004 0.000 0.934 277 V HN 1.127 nan 8.190 nan 0.000 0.487 278 T N 0.148 114.704 114.554 0.003 0.000 2.938 278 T HA 0.378 4.728 4.350 -0.000 0.000 0.285 278 T C 0.565 175.264 174.700 -0.003 0.000 1.028 278 T CA -0.711 61.387 62.100 -0.002 0.000 1.005 278 T CB 1.600 70.464 68.868 -0.006 0.000 1.157 278 T HN 0.461 nan 8.240 nan 0.000 0.550 279 D N 0.253 120.649 120.400 -0.007 0.000 2.144 279 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 279 D C 2.029 178.331 176.300 0.003 0.000 0.978 279 D CA 1.794 55.792 54.000 -0.003 0.000 0.833 279 D CB -0.176 40.620 40.800 -0.005 0.000 0.961 279 D HN 0.911 nan 8.370 nan 0.000 0.470 280 E N 1.018 121.204 120.200 -0.022 0.000 2.028 280 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 280 E C 1.404 178.040 176.600 0.060 0.000 0.988 280 E CA 1.319 57.685 56.400 -0.056 0.000 0.799 280 E CB -0.380 29.184 29.700 -0.227 0.000 0.755 280 E HN -0.012 nan 8.360 nan 0.000 0.447 281 D N 1.219 121.644 120.400 0.042 0.000 2.170 281 D HA -0.254 4.386 4.640 -0.000 0.000 0.193 281 D C 1.991 178.322 176.300 0.052 0.000 1.004 281 D CA 2.034 56.080 54.000 0.077 0.000 0.860 281 D CB -0.540 40.281 40.800 0.036 0.000 0.931 281 D HN 0.412 nan 8.370 nan 0.000 0.448 282 A N 1.372 124.207 122.820 0.025 0.000 1.902 282 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 282 A C 1.921 179.495 177.584 -0.017 0.000 1.181 282 A CA 1.792 53.823 52.037 -0.010 0.000 0.623 282 A CB -0.668 18.326 19.000 -0.009 0.000 0.818 282 A HN 0.472 nan 8.150 nan 0.000 0.443 283 E N 0.327 120.548 120.200 0.036 0.000 2.515 283 E HA -0.072 4.278 4.350 -0.000 0.000 0.201 283 E C 1.422 177.984 176.600 -0.063 0.000 1.071 283 E CA 0.557 56.967 56.400 0.017 0.000 0.880 283 E CB -0.405 29.350 29.700 0.091 0.000 0.828 283 E HN 0.648 nan 8.360 nan 0.000 0.540 284 L N 1.020 122.187 121.223 -0.093 0.000 2.313 284 L HA -0.062 4.278 4.340 -0.000 0.000 0.214 284 L C 1.271 177.946 176.870 -0.325 0.000 1.119 284 L CA 0.589 55.294 54.840 -0.224 0.000 0.809 284 L CB -0.093 41.820 42.059 -0.244 0.000 0.933 284 L HN 0.034 nan 8.230 nan 0.000 0.449 285 D N -0.819 119.432 120.400 -0.249 0.000 2.371 285 D HA -0.076 4.564 4.640 -0.000 0.000 0.221 285 D C 1.451 177.651 176.300 -0.167 0.000 0.986 285 D CA 0.728 54.584 54.000 -0.240 0.000 0.899 285 D CB 0.214 40.911 40.800 -0.172 0.000 0.902 285 D HN 0.303 nan 8.370 nan 0.000 0.530 286 T N -1.638 112.831 114.554 -0.142 0.000 2.292 286 T HA 0.248 4.598 4.350 -0.000 0.000 0.205 286 T C 1.175 175.785 174.700 -0.149 0.000 0.863 286 T CA 0.292 62.323 62.100 -0.115 0.000 1.243 286 T CB 0.380 69.204 68.868 -0.072 0.000 3.036 286 T HN -0.146 nan 8.240 nan 0.000 0.446 287 I N -0.394 120.098 120.570 -0.129 0.000 3.969 287 I HA -0.166 4.004 4.170 -0.000 0.000 0.133 287 I C 0.432 176.389 176.117 -0.267 0.000 0.412 287 I CA 1.838 63.038 61.300 -0.166 0.000 1.227 287 I CB -1.346 36.532 38.000 -0.203 0.000 1.082 287 I HN 0.451 nan 8.210 nan 0.000 0.204 288 V N 3.662 123.413 119.914 -0.272 0.000 2.270 288 V HA 0.476 4.596 4.120 -0.000 0.000 0.263 288 V C -1.449 174.587 176.094 -0.097 0.000 1.066 288 V CA -1.410 60.705 62.300 -0.309 0.000 0.857 288 V CB 0.090 31.800 31.823 -0.188 0.000 1.099 288 V HN 0.259 nan 8.190 nan 0.000 0.476 289 P HA 0.116 nan 4.420 nan 0.000 0.275 289 P C 0.094 177.414 177.300 0.033 0.000 1.262 289 P CA 0.202 63.320 63.100 0.030 0.000 0.834 289 P CB 0.708 32.457 31.700 0.082 0.000 1.098 290 D N -1.986 118.435 120.400 0.035 0.000 2.259 290 D HA -0.031 4.609 4.640 -0.000 0.000 0.216 290 D C 0.139 176.468 176.300 0.049 0.000 0.961 290 D CA 0.637 54.659 54.000 0.036 0.000 0.878 290 D CB -0.235 40.581 40.800 0.026 0.000 1.009 290 D HN 0.287 nan 8.370 nan 0.000 0.490 291 S N 0.450 116.180 115.700 0.050 0.000 2.474 291 S HA 0.532 5.002 4.470 -0.000 0.000 0.276 291 S C 1.258 175.899 174.600 0.068 0.000 1.227 291 S CA -0.435 57.797 58.200 0.054 0.000 1.050 291 S CB 1.676 64.903 63.200 0.044 0.000 0.939 291 S HN 0.213 nan 8.310 nan 0.000 0.490 292 A N 3.801 126.664 122.820 0.073 0.000 1.884 292 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 292 A C 2.029 179.653 177.584 0.066 0.000 1.197 292 A CA 1.768 53.853 52.037 0.080 0.000 0.637 292 A CB -1.042 18.013 19.000 0.092 0.000 0.827 292 A HN 0.900 nan 8.150 nan 0.000 0.450 293 N N -0.216 118.517 118.700 0.056 0.000 2.651 293 N HA -0.115 4.625 4.740 -0.000 0.000 0.193 293 N C 0.561 176.089 175.510 0.029 0.000 1.149 293 N CA 0.834 53.907 53.050 0.039 0.000 0.933 293 N CB -0.084 38.425 38.487 0.036 0.000 0.974 293 N HN 0.631 nan 8.380 nan 0.000 0.448 294 Q N 1.418 121.246 119.800 0.045 0.000 2.314 294 Q HA 0.299 4.639 4.340 -0.000 0.000 0.259 294 Q C -2.484 173.556 176.000 0.067 0.000 0.951 294 Q CA -2.068 53.764 55.803 0.048 0.000 0.909 294 Q CB 1.640 30.413 28.738 0.058 0.000 1.236 294 Q HN 0.016 nan 8.270 nan 0.000 0.444 295 P HA 0.257 nan 4.420 nan 0.000 0.277 295 P C -1.390 175.938 177.300 0.047 0.000 1.271 295 P CA -0.165 62.896 63.100 -0.065 0.000 0.795 295 P CB 0.552 32.187 31.700 -0.108 0.000 1.101 296 Y N -3.369 116.916 120.300 -0.025 0.000 2.656 296 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 296 Y C -1.352 174.534 175.900 -0.024 0.000 1.179 296 Y CA -1.451 56.636 58.100 -0.021 0.000 1.050 296 Y CB 0.117 38.569 38.460 -0.014 0.000 1.308 296 Y HN 0.119 nan 8.280 nan 0.000 0.456 297 D N 1.885 122.415 120.400 0.218 0.000 2.316 297 D HA 0.140 4.780 4.640 -0.000 0.000 0.245 297 D C 0.378 176.783 176.300 0.176 0.000 1.171 297 D CA -0.210 53.873 54.000 0.138 0.000 0.856 297 D CB 1.679 42.544 40.800 0.109 0.000 1.090 297 D HN 0.801 nan 8.370 nan 0.000 0.476 298 M N 4.436 124.063 119.600 0.044 0.000 2.419 298 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 298 M C 1.422 177.587 176.300 -0.224 0.000 1.082 298 M CA 1.184 56.439 55.300 -0.075 0.000 1.119 298 M CB -0.150 32.327 32.600 -0.206 0.000 1.398 298 M HN 0.442 nan 8.290 nan 0.000 0.453 299 H N -1.011 117.948 119.070 -0.185 0.000 2.460 299 H HA -0.108 4.448 4.556 0.000 0.000 0.297 299 H C 1.920 177.155 175.328 -0.156 0.000 1.103 299 H CA 1.694 57.611 56.048 -0.218 0.000 1.292 299 H CB -0.330 29.380 29.762 -0.088 0.000 1.376 299 H HN 0.443 nan 8.280 nan 0.000 0.531 300 S N 0.352 116.059 115.700 0.012 0.000 2.357 300 S HA -0.110 4.360 4.470 -0.000 0.000 0.221 300 S C 2.395 176.890 174.600 -0.174 0.000 1.031 300 S CA 1.016 59.188 58.200 -0.047 0.000 0.982 300 S CB -0.454 62.685 63.200 -0.102 0.000 0.853 300 S HN 0.335 nan 8.310 nan 0.000 0.458 301 V N 2.031 121.818 119.914 -0.211 0.000 2.626 301 V HA -0.063 4.057 4.120 -0.000 0.000 0.252 301 V C 1.610 177.512 176.094 -0.320 0.000 1.067 301 V CA 1.337 63.513 62.300 -0.206 0.000 1.081 301 V CB -0.558 31.179 31.823 -0.142 0.000 0.686 301 V HN 0.481 nan 8.190 nan 0.000 0.468 302 I N 0.087 120.378 120.570 -0.466 0.000 2.162 302 I HA -0.162 4.008 4.170 -0.000 0.000 0.238 302 I C 2.626 178.663 176.117 -0.133 0.000 1.076 302 I CA 1.911 62.892 61.300 -0.531 0.000 1.353 302 I CB -0.585 36.964 38.000 -0.751 0.000 1.063 302 I HN 0.291 nan 8.210 nan 0.000 0.408 303 E N 0.100 120.289 120.200 -0.019 0.000 2.187 303 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 303 E C 1.879 178.594 176.600 0.192 0.000 1.004 303 E CA 1.409 57.897 56.400 0.146 0.000 0.813 303 E CB -0.206 29.612 29.700 0.197 0.000 0.736 303 E HN 0.539 nan 8.360 nan 0.000 0.468 304 H N -1.301 117.779 119.070 0.016 0.000 2.547 304 H HA -0.033 4.523 4.556 0.000 0.000 0.272 304 H C 1.873 177.250 175.328 0.083 0.000 0.989 304 H CA 1.038 57.115 56.048 0.048 0.000 1.214 304 H CB 0.268 30.057 29.762 0.045 0.000 1.389 304 H HN 0.152 nan 8.280 nan 0.000 0.577 305 V N -2.752 117.281 119.914 0.198 0.000 2.922 305 V HA 0.175 4.295 4.120 -0.000 0.000 0.242 305 V C 0.974 177.180 176.094 0.187 0.000 1.094 305 V CA -0.024 62.404 62.300 0.212 0.000 1.106 305 V CB -0.161 31.842 31.823 0.300 0.000 0.799 305 V HN -0.000 nan 8.190 nan 0.000 0.474 306 L N 2.416 123.749 121.223 0.184 0.000 2.426 306 L HA 0.289 4.629 4.340 -0.000 0.000 0.271 306 L C -0.076 176.888 176.870 0.157 0.000 1.169 306 L CA -0.290 54.668 54.840 0.197 0.000 0.836 306 L CB -0.064 42.140 42.059 0.242 0.000 1.112 306 L HN 0.209 nan 8.230 nan 0.000 0.465 307 D N 2.034 122.526 120.400 0.153 0.000 2.583 307 D HA -0.051 4.589 4.640 -0.000 0.000 0.232 307 D C 0.443 176.807 176.300 0.107 0.000 1.128 307 D CA 0.728 54.798 54.000 0.116 0.000 0.859 307 D CB 0.266 41.135 40.800 0.115 0.000 1.169 307 D HN 0.589 nan 8.370 nan 0.000 0.481 308 D N 1.228 121.670 120.400 0.071 0.000 3.059 308 D HA -0.243 4.397 4.640 -0.000 0.000 0.220 308 D C 0.621 176.965 176.300 0.073 0.000 1.169 308 D CA 1.007 55.042 54.000 0.058 0.000 0.902 308 D CB -0.991 39.842 40.800 0.056 0.000 1.116 308 D HN 0.648 nan 8.370 nan 0.000 0.417 309 A N -1.072 121.798 122.820 0.084 0.000 2.816 309 A HA -0.332 3.988 4.320 -0.000 0.000 0.270 309 A C 0.500 178.181 177.584 0.161 0.000 1.413 309 A CA 1.672 53.772 52.037 0.104 0.000 0.866 309 A CB -0.993 18.041 19.000 0.058 0.000 1.032 309 A HN 0.448 nan 8.150 nan 0.000 0.642 310 E N -0.547 119.763 120.200 0.183 0.000 2.046 310 E HA 0.477 4.827 4.350 -0.000 0.000 0.279 310 E C -1.102 175.689 176.600 0.318 0.000 0.989 310 E CA -0.460 56.074 56.400 0.223 0.000 0.798 310 E CB 0.340 30.150 29.700 0.184 0.000 1.086 310 E HN 0.446 nan 8.360 nan 0.000 0.399 311 F N 5.871 125.920 119.950 0.165 0.000 2.402 311 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 311 F C -1.364 174.546 175.800 0.184 0.000 1.123 311 F CA -1.307 56.785 58.000 0.153 0.000 1.021 311 F CB 0.484 39.547 39.000 0.105 0.000 1.160 311 F HN 0.276 nan 8.300 nan 0.000 0.451 312 F N 7.040 126.656 119.950 -0.556 0.000 2.335 312 F HA 0.326 4.853 4.527 -0.000 0.000 0.365 312 F C 0.001 175.297 175.800 -0.840 0.000 1.122 312 F CA -0.425 57.267 58.000 -0.514 0.000 1.151 312 F CB 0.163 38.965 39.000 -0.330 0.000 1.282 312 F HN 0.591 nan 8.300 nan 0.000 0.513 313 E N 4.415 123.959 120.200 -1.092 0.000 2.259 313 E HA 0.260 4.610 4.350 -0.000 0.000 0.281 313 E C -0.447 175.874 176.600 -0.465 0.000 1.027 313 E CA -0.498 55.395 56.400 -0.845 0.000 0.838 313 E CB 0.943 30.469 29.700 -0.290 0.000 1.066 313 E HN 0.656 nan 8.360 nan 0.000 0.401 314 T N 1.473 115.858 114.554 -0.281 0.000 2.943 314 T HA 0.198 4.548 4.350 -0.000 0.000 0.284 314 T C 0.029 174.787 174.700 0.097 0.000 1.015 314 T CA -0.721 61.385 62.100 0.009 0.000 1.042 314 T CB 1.233 70.198 68.868 0.162 0.000 1.055 314 T HN 0.663 nan 8.240 nan 0.000 0.500 315 Q N 0.691 120.615 119.800 0.206 0.000 2.437 315 Q HA -0.132 4.208 4.340 -0.000 0.000 0.354 315 Q C -1.891 174.206 176.000 0.160 0.000 1.402 315 Q CA 0.092 56.013 55.803 0.196 0.000 1.020 315 Q CB -1.147 27.749 28.738 0.264 0.000 1.220 315 Q HN 0.645 nan 8.270 nan 0.000 0.368 316 P HA -0.158 nan 4.420 nan 0.000 0.216 316 P C 0.999 178.368 177.300 0.115 0.000 1.153 316 P CA 1.150 64.320 63.100 0.116 0.000 0.844 316 P CB 0.168 31.920 31.700 0.087 0.000 0.787 317 L N -3.412 117.877 121.223 0.110 0.000 2.529 317 L HA 0.173 4.513 4.340 -0.000 0.000 0.223 317 L C 1.106 178.081 176.870 0.175 0.000 1.113 317 L CA -0.200 54.706 54.840 0.110 0.000 0.861 317 L CB -0.411 41.690 42.059 0.069 0.000 1.012 317 L HN -0.098 nan 8.230 nan 0.000 0.461 318 F N 1.434 121.402 119.950 0.031 0.000 2.410 318 F HA 0.473 5.000 4.527 -0.000 0.000 0.348 318 F C 1.130 176.955 175.800 0.042 0.000 1.106 318 F CA -0.604 57.414 58.000 0.030 0.000 1.163 318 F CB 0.749 39.760 39.000 0.019 0.000 1.129 318 F HN 0.043 nan 8.300 nan 0.000 0.516 319 A N 5.398 127.902 122.820 -0.527 0.000 2.466 319 A HA -0.198 4.122 4.320 -0.000 0.000 0.295 319 A C -2.088 175.433 177.584 -0.105 0.000 1.465 319 A CA 0.337 52.130 52.037 -0.407 0.000 0.744 319 A CB -1.909 16.766 19.000 -0.542 0.000 1.098 319 A HN 0.673 nan 8.150 nan 0.000 0.402 320 P HA -0.137 nan 4.420 nan 0.000 0.234 320 P C 1.206 178.549 177.300 0.072 0.000 1.162 320 P CA 1.286 64.429 63.100 0.072 0.000 0.759 320 P CB -0.159 31.605 31.700 0.106 0.000 0.813 321 N N -0.807 117.944 118.700 0.085 0.000 2.467 321 N HA -0.021 4.719 4.740 -0.000 0.000 0.184 321 N C 0.450 175.953 175.510 -0.012 0.000 1.106 321 N CA 0.316 53.413 53.050 0.077 0.000 0.892 321 N CB 0.243 38.812 38.487 0.137 0.000 0.969 321 N HN 0.245 nan 8.380 nan 0.000 0.454 322 I N 0.404 120.958 120.570 -0.026 0.000 2.730 322 I HA 0.372 4.542 4.170 -0.000 0.000 0.298 322 I C -1.403 174.686 176.117 -0.047 0.000 1.089 322 I CA -1.063 60.211 61.300 -0.044 0.000 1.041 322 I CB 2.282 40.264 38.000 -0.031 0.000 1.235 322 I HN -0.176 nan 8.210 nan 0.000 0.423 323 L N 5.478 126.650 121.223 -0.085 0.000 2.322 323 L HA 0.601 4.941 4.340 -0.000 0.000 0.281 323 L C -0.534 176.283 176.870 -0.089 0.000 1.014 323 L CA -0.527 54.257 54.840 -0.093 0.000 0.815 323 L CB 1.844 43.746 42.059 -0.263 0.000 1.247 323 L HN 0.572 nan 8.230 nan 0.000 0.421 324 T N -0.568 113.920 114.554 -0.111 0.000 2.876 324 T HA 0.921 5.271 4.350 -0.000 0.000 0.289 324 T C -0.210 174.192 174.700 -0.496 0.000 1.014 324 T CA -0.588 61.230 62.100 -0.469 0.000 0.986 324 T CB 2.396 70.827 68.868 -0.728 0.000 1.021 324 T HN 0.905 nan 8.240 nan 0.000 0.458 325 G N 1.135 109.492 108.800 -0.739 0.000 2.342 325 G HA2 0.536 4.496 3.960 -0.000 0.000 0.297 325 G HA3 0.536 4.496 3.960 -0.000 0.000 0.297 325 G C -2.008 172.645 174.900 -0.413 0.000 1.313 325 G CA -0.968 43.734 45.100 -0.663 0.000 0.830 325 G HN 0.604 nan 8.290 nan 0.000 0.506 326 F N -0.293 119.586 119.950 -0.118 0.000 2.509 326 F HA 0.898 5.425 4.527 0.000 0.000 0.334 326 F C 1.008 176.667 175.800 -0.235 0.000 1.060 326 F CA 0.408 58.275 58.000 -0.222 0.000 0.997 326 F CB 2.314 40.801 39.000 -0.855 0.000 1.271 326 F HN 0.899 nan 8.300 nan 0.000 0.488 327 G N 0.241 109.157 108.800 0.193 0.000 2.488 327 G HA2 0.619 4.579 3.960 -0.000 0.000 0.301 327 G HA3 0.619 4.579 3.960 -0.000 0.000 0.301 327 G C -1.897 173.287 174.900 0.473 0.000 1.339 327 G CA -1.143 44.178 45.100 0.368 0.000 0.803 327 G HN 0.491 nan 8.290 nan 0.000 0.482 328 R N -1.269 119.462 120.500 0.386 0.000 2.803 328 R HA 0.745 5.085 4.340 -0.000 0.000 0.276 328 R C -1.414 175.020 176.300 0.224 0.000 0.978 328 R CA -0.839 55.438 56.100 0.294 0.000 0.939 328 R CB 2.749 33.188 30.300 0.233 0.000 1.179 328 R HN 0.308 nan 8.270 nan 0.000 0.472 329 V N 2.138 122.167 119.914 0.191 0.000 2.524 329 V HA 0.161 4.281 4.120 -0.000 0.000 0.297 329 V C 0.099 176.269 176.094 0.127 0.000 1.035 329 V CA -0.536 61.859 62.300 0.158 0.000 0.867 329 V CB 1.371 33.291 31.823 0.163 0.000 1.004 329 V HN 0.917 nan 8.190 nan 0.000 0.426 330 E N 3.417 123.682 120.200 0.108 0.000 2.722 330 E HA -0.294 4.056 4.350 -0.000 0.000 0.265 330 E C 1.255 177.911 176.600 0.094 0.000 1.081 330 E CA 0.844 57.297 56.400 0.088 0.000 0.781 330 E CB -1.092 28.653 29.700 0.075 0.000 1.372 330 E HN 1.617 nan 8.360 nan 0.000 0.423 331 G N 0.215 109.084 108.800 0.115 0.000 2.179 331 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 331 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 331 G C 0.122 175.098 174.900 0.127 0.000 0.977 331 G CA 0.555 45.737 45.100 0.136 0.000 0.641 331 G HN 0.188 nan 8.290 nan 0.000 0.533 332 R N 0.508 121.079 120.500 0.118 0.000 2.294 332 R HA 0.438 4.778 4.340 -0.000 0.000 0.319 332 R C -2.843 173.557 176.300 0.167 0.000 0.984 332 R CA -2.114 54.050 56.100 0.108 0.000 0.861 332 R CB 1.167 31.520 30.300 0.089 0.000 1.104 332 R HN 0.053 nan 8.270 nan 0.000 0.451 333 P HA -0.084 nan 4.420 nan 0.000 0.264 333 P C -0.320 177.157 177.300 0.295 0.000 1.179 333 P CA 0.140 63.420 63.100 0.300 0.000 0.763 333 P CB 0.607 32.447 31.700 0.233 0.000 0.806 334 V N 0.372 120.509 119.914 0.373 0.000 3.159 334 V HA 0.967 5.087 4.120 -0.000 0.000 0.308 334 V C -0.204 176.150 176.094 0.434 0.000 1.190 334 V CA -0.951 61.551 62.300 0.338 0.000 1.037 334 V CB 1.956 33.946 31.823 0.279 0.000 1.060 334 V HN 0.599 nan 8.190 nan 0.000 0.437 335 G N 1.226 110.251 108.800 0.374 0.000 2.453 335 G HA2 0.748 4.708 3.960 -0.000 0.000 0.323 335 G HA3 0.748 4.708 3.960 -0.000 0.000 0.323 335 G C -1.284 173.840 174.900 0.373 0.000 1.198 335 G CA -0.777 44.569 45.100 0.410 0.000 0.959 335 G HN 0.645 nan 8.290 nan 0.000 0.482 336 I N 1.274 122.042 120.570 0.329 0.000 2.466 336 I HA 0.472 4.642 4.170 -0.000 0.000 0.289 336 I C -0.506 175.657 176.117 0.078 0.000 1.026 336 I CA -1.079 60.363 61.300 0.238 0.000 1.078 336 I CB 1.208 39.394 38.000 0.311 0.000 1.249 336 I HN 0.301 nan 8.210 nan 0.000 0.429 337 V N 5.618 125.616 119.914 0.141 0.000 2.577 337 V HA 0.967 5.087 4.120 -0.000 0.000 0.303 337 V C -1.031 175.126 176.094 0.105 0.000 1.042 337 V CA -0.127 62.222 62.300 0.081 0.000 0.872 337 V CB 1.662 33.573 31.823 0.147 0.000 0.998 337 V HN 0.972 nan 8.190 nan 0.000 0.423 338 A N 4.574 127.406 122.820 0.021 0.000 2.547 338 A HA 0.728 5.048 4.320 -0.000 0.000 0.297 338 A C -0.835 176.708 177.584 -0.069 0.000 1.056 338 A CA -0.864 51.176 52.037 0.004 0.000 0.688 338 A CB 1.291 20.244 19.000 -0.080 0.000 1.282 338 A HN 0.957 nan 8.150 nan 0.000 0.400 339 N N 1.029 119.686 118.700 -0.071 0.000 2.530 339 N HA 0.425 5.165 4.740 -0.000 0.000 0.273 339 N C -0.301 175.116 175.510 -0.154 0.000 1.173 339 N CA -0.045 52.942 53.050 -0.106 0.000 0.967 339 N CB 0.771 39.189 38.487 -0.115 0.000 1.109 339 N HN 0.630 nan 8.380 nan 0.000 0.453 340 Q N 2.999 122.708 119.800 -0.150 0.000 2.413 340 Q HA 0.378 4.718 4.340 -0.000 0.000 0.258 340 Q C -2.389 173.493 176.000 -0.196 0.000 1.037 340 Q CA -2.031 53.665 55.803 -0.179 0.000 0.764 340 Q CB 1.596 30.262 28.738 -0.120 0.000 1.217 340 Q HN 0.309 nan 8.270 nan 0.000 0.490 341 P HA -0.165 nan 4.420 nan 0.000 0.218 341 P C 1.014 178.164 177.300 -0.250 0.000 1.148 341 P CA 1.305 64.202 63.100 -0.338 0.000 0.822 341 P CB 0.120 31.436 31.700 -0.641 0.000 0.784 342 M N -1.455 118.008 119.600 -0.228 0.000 2.255 342 M HA -0.155 4.325 4.480 -0.000 0.000 0.259 342 M C 0.473 176.661 176.300 -0.185 0.000 1.071 342 M CA 1.648 56.852 55.300 -0.160 0.000 1.074 342 M CB -0.834 31.708 32.600 -0.096 0.000 1.384 342 M HN 0.125 nan 8.290 nan 0.000 0.415 343 Q N -0.286 119.404 119.800 -0.183 0.000 2.310 343 Q HA 0.274 4.614 4.340 -0.000 0.000 0.270 343 Q C -0.624 175.285 176.000 -0.152 0.000 1.025 343 Q CA -0.562 55.076 55.803 -0.275 0.000 0.772 343 Q CB 1.548 30.200 28.738 -0.143 0.000 1.253 343 Q HN 0.281 nan 8.270 nan 0.000 0.450 344 F N 1.069 120.980 119.950 -0.066 0.000 3.048 344 F HA -0.344 4.183 4.527 -0.000 0.000 0.269 344 F C 1.148 176.903 175.800 -0.076 0.000 0.960 344 F CA 0.853 58.815 58.000 -0.062 0.000 0.909 344 F CB -2.351 36.612 39.000 -0.061 0.000 0.837 344 F HN 0.877 nan 8.300 nan 0.000 0.768 345 A N -1.495 121.324 122.820 -0.001 0.000 3.408 345 A HA 0.076 4.396 4.320 -0.000 0.000 0.269 345 A C 2.330 179.871 177.584 -0.072 0.000 1.124 345 A CA 1.833 53.846 52.037 -0.041 0.000 0.999 345 A CB -1.784 17.215 19.000 -0.002 0.000 1.067 345 A HN 2.665 nan 8.150 nan 0.000 0.815 346 G N -2.254 106.514 108.800 -0.053 0.000 2.212 346 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.255 346 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.255 346 G C 0.960 175.810 174.900 -0.084 0.000 1.062 346 G CA 0.897 45.946 45.100 -0.085 0.000 0.815 346 G HN 2.540 nan 8.290 nan 0.000 0.497 347 C N -0.587 118.689 119.300 -0.039 0.000 2.459 347 C HA 0.830 5.290 4.460 -0.000 0.000 0.374 347 C C 1.035 175.960 174.990 -0.108 0.000 1.241 347 C CA -1.674 57.293 59.018 -0.085 0.000 2.352 347 C CB 0.689 28.410 27.740 -0.031 0.000 2.490 347 C HN 0.492 nan 8.230 nan 0.000 0.583 348 L N 3.502 124.610 121.223 -0.192 0.000 2.305 348 L HA 0.436 4.776 4.340 -0.000 0.000 0.281 348 L C 0.106 176.986 176.870 0.017 0.000 1.085 348 L CA 0.303 55.069 54.840 -0.123 0.000 0.813 348 L CB 0.701 42.612 42.059 -0.246 0.000 1.157 348 L HN 0.878 nan 8.230 nan 0.000 0.436 349 D N 2.038 122.438 120.400 0.000 0.000 2.712 349 D HA 0.336 4.976 4.640 -0.000 0.000 0.252 349 D C 1.001 177.312 176.300 0.019 0.000 1.123 349 D CA -0.734 53.267 54.000 0.001 0.000 1.109 349 D CB 0.656 41.384 40.800 -0.120 0.000 1.313 349 D HN 0.026 nan 8.370 nan 0.000 0.629 350 I N 0.320 120.884 120.570 -0.011 0.000 2.099 350 I HA -0.232 3.938 4.170 -0.000 0.000 0.239 350 I C 2.496 178.610 176.117 -0.005 0.000 1.066 350 I CA 2.244 63.550 61.300 0.008 0.000 1.324 350 I CB -2.038 35.965 38.000 0.005 0.000 1.037 350 I HN 0.720 nan 8.210 nan 0.000 0.401 351 T N 0.122 114.618 114.554 -0.095 0.000 2.665 351 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 351 T C 2.038 176.624 174.700 -0.191 0.000 1.035 351 T CA 1.635 63.592 62.100 -0.237 0.000 1.151 351 T CB -0.905 67.576 68.868 -0.644 0.000 0.862 351 T HN 0.317 nan 8.240 nan 0.000 0.438 352 A N 1.622 124.348 122.820 -0.155 0.000 1.883 352 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 352 A C 2.763 180.359 177.584 0.019 0.000 1.186 352 A CA 2.147 54.140 52.037 -0.075 0.000 0.624 352 A CB -1.289 17.672 19.000 -0.065 0.000 0.822 352 A HN 0.521 nan 8.150 nan 0.000 0.444 353 S N -0.423 115.309 115.700 0.052 0.000 2.359 353 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 353 S C 1.883 176.543 174.600 0.100 0.000 1.035 353 S CA 1.732 59.990 58.200 0.096 0.000 1.018 353 S CB -0.334 62.938 63.200 0.119 0.000 0.876 353 S HN 0.702 nan 8.310 nan 0.000 0.448 354 E N 0.509 120.774 120.200 0.110 0.000 2.208 354 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 354 E C 2.093 178.802 176.600 0.180 0.000 0.988 354 E CA 0.540 57.021 56.400 0.134 0.000 0.828 354 E CB -0.024 29.766 29.700 0.149 0.000 0.763 354 E HN 0.396 nan 8.360 nan 0.000 0.478 355 K N 1.069 121.600 120.400 0.219 0.000 1.985 355 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 355 K C 2.140 178.862 176.600 0.202 0.000 1.047 355 K CA 1.387 57.829 56.287 0.259 0.000 0.932 355 K CB -0.108 32.537 32.500 0.242 0.000 0.716 355 K HN 0.060 nan 8.250 nan 0.000 0.439 356 A N 0.879 123.783 122.820 0.140 0.000 1.897 356 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 356 A C 2.323 179.969 177.584 0.103 0.000 1.181 356 A CA 1.613 53.724 52.037 0.124 0.000 0.620 356 A CB -0.839 18.212 19.000 0.085 0.000 0.821 356 A HN 0.498 nan 8.150 nan 0.000 0.443 357 A N -0.308 122.558 122.820 0.077 0.000 1.903 357 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 357 A C 2.306 179.917 177.584 0.045 0.000 1.191 357 A CA 1.934 53.994 52.037 0.038 0.000 0.638 357 A CB -0.530 18.506 19.000 0.060 0.000 0.823 357 A HN 0.470 nan 8.150 nan 0.000 0.451 358 R N -2.280 118.276 120.500 0.094 0.000 2.153 358 R HA -0.023 4.317 4.340 -0.000 0.000 0.218 358 R C 1.923 178.290 176.300 0.111 0.000 1.072 358 R CA 1.111 57.263 56.100 0.087 0.000 0.990 358 R CB -0.305 30.056 30.300 0.101 0.000 0.889 358 R HN 0.600 nan 8.270 nan 0.000 0.452 359 F N 0.765 120.738 119.950 0.037 0.000 2.146 359 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 359 F C 1.932 177.746 175.800 0.023 0.000 1.096 359 F CA 1.116 59.146 58.000 0.050 0.000 1.275 359 F CB -0.129 38.903 39.000 0.053 0.000 1.008 359 F HN -0.268 nan 8.300 nan 0.000 0.480 360 V N 0.963 120.923 119.914 0.078 0.000 2.469 360 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 360 V C 2.328 178.365 176.094 -0.094 0.000 1.064 360 V CA 2.188 64.444 62.300 -0.074 0.000 1.066 360 V CB -0.762 30.903 31.823 -0.263 0.000 0.667 360 V HN 0.315 nan 8.190 nan 0.000 0.461 361 R N -0.524 119.938 120.500 -0.062 0.000 2.127 361 R HA -0.025 4.315 4.340 -0.000 0.000 0.217 361 R C 2.380 178.635 176.300 -0.075 0.000 1.074 361 R CA 1.383 57.452 56.100 -0.053 0.000 0.991 361 R CB -0.520 29.769 30.300 -0.018 0.000 0.895 361 R HN 0.505 nan 8.270 nan 0.000 0.450 362 T N 0.650 115.160 114.554 -0.075 0.000 2.708 362 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 362 T C 2.103 176.858 174.700 0.092 0.000 1.037 362 T CA 1.325 63.428 62.100 0.005 0.000 1.146 362 T CB -0.350 68.484 68.868 -0.057 0.000 0.865 362 T HN 0.319 nan 8.240 nan 0.000 0.435 363 C N 1.355 120.617 119.300 -0.064 0.000 2.429 363 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 363 C C 2.664 177.680 174.990 0.044 0.000 1.262 363 C CA 0.501 59.538 59.018 0.032 0.000 1.733 363 C CB -1.084 26.611 27.740 -0.075 0.000 2.010 363 C HN 0.650 nan 8.230 nan 0.000 0.483 364 D N 0.870 121.256 120.400 -0.023 0.000 2.144 364 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 364 D C 2.130 178.379 176.300 -0.085 0.000 0.984 364 D CA 1.568 55.549 54.000 -0.032 0.000 0.834 364 D CB -0.117 40.659 40.800 -0.040 0.000 0.955 364 D HN 0.400 nan 8.370 nan 0.000 0.465 365 A N -0.789 121.917 122.820 -0.189 0.000 1.969 365 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 365 A C 1.295 178.565 177.584 -0.523 0.000 1.169 365 A CA 0.783 52.569 52.037 -0.419 0.000 0.635 365 A CB -0.560 18.041 19.000 -0.665 0.000 0.810 365 A HN 0.319 nan 8.150 nan 0.000 0.445 366 F N -0.097 119.863 119.950 0.016 0.000 2.684 366 F HA 0.262 4.789 4.527 0.000 0.000 0.298 366 F C 0.553 176.368 175.800 0.025 0.000 1.120 366 F CA -0.597 57.416 58.000 0.022 0.000 1.332 366 F CB -0.147 38.872 39.000 0.031 0.000 0.986 366 F HN 0.224 nan 8.300 nan 0.000 0.524 367 N N -0.254 118.512 118.700 0.110 0.000 2.782 367 N HA -0.168 4.572 4.740 -0.000 0.000 0.251 367 N C -0.229 175.348 175.510 0.111 0.000 1.101 367 N CA 0.931 54.033 53.050 0.087 0.000 0.764 367 N CB -1.585 36.949 38.487 0.078 0.000 1.122 367 N HN 0.289 nan 8.380 nan 0.000 0.561 368 V N -0.998 119.004 119.914 0.147 0.000 2.407 368 V HA 0.601 4.721 4.120 -0.000 0.000 0.278 368 V C -2.104 174.084 176.094 0.156 0.000 1.037 368 V CA -1.569 60.836 62.300 0.174 0.000 0.900 368 V CB 1.487 33.465 31.823 0.259 0.000 0.983 368 V HN -0.176 nan 8.190 nan 0.000 0.459 369 P HA 0.209 nan 4.420 nan 0.000 0.269 369 P C -0.921 176.480 177.300 0.167 0.000 1.217 369 P CA 0.069 63.251 63.100 0.136 0.000 0.783 369 P CB 0.671 32.449 31.700 0.130 0.000 0.898 370 V N 3.571 123.574 119.914 0.148 0.000 2.447 370 V HA 0.265 4.385 4.120 -0.000 0.000 0.292 370 V C -0.060 176.114 176.094 0.133 0.000 1.021 370 V CA -0.441 61.965 62.300 0.178 0.000 0.850 370 V CB 1.065 32.998 31.823 0.183 0.000 1.005 370 V HN 0.331 nan 8.190 nan 0.000 0.426 371 L N 4.227 125.525 121.223 0.124 0.000 2.276 371 L HA 0.686 5.026 4.340 -0.000 0.000 0.286 371 L C 0.404 177.238 176.870 -0.060 0.000 1.061 371 L CA 0.033 54.858 54.840 -0.026 0.000 0.807 371 L CB 1.612 43.697 42.059 0.042 0.000 1.177 371 L HN 0.702 nan 8.230 nan 0.000 0.429 372 T N 2.342 116.738 114.554 -0.263 0.000 2.848 372 T HA 0.625 4.975 4.350 -0.000 0.000 0.285 372 T C -0.947 173.485 174.700 -0.446 0.000 0.995 372 T CA -0.383 61.618 62.100 -0.166 0.000 0.970 372 T CB 0.638 69.530 68.868 0.039 0.000 0.976 372 T HN 0.216 nan 8.240 nan 0.000 0.441 373 F N 3.560 123.446 119.950 -0.106 0.000 2.444 373 F HA 0.631 5.158 4.527 -0.000 0.000 0.342 373 F C -0.149 175.541 175.800 -0.183 0.000 1.121 373 F CA -0.923 56.969 58.000 -0.180 0.000 0.997 373 F CB 2.158 41.038 39.000 -0.200 0.000 1.130 373 F HN 0.317 nan 8.300 nan 0.000 0.454 374 V N 2.476 122.344 119.914 -0.077 0.000 2.409 374 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 374 V C -0.900 175.123 176.094 -0.120 0.000 1.020 374 V CA -0.511 61.726 62.300 -0.105 0.000 0.848 374 V CB 1.612 33.360 31.823 -0.125 0.000 0.990 374 V HN 0.705 nan 8.190 nan 0.000 0.430 375 D N 3.805 124.132 120.400 -0.121 0.000 2.978 375 D HA 0.173 4.813 4.640 -0.000 0.000 0.268 375 D C -1.343 174.850 176.300 -0.177 0.000 1.252 375 D CA -0.004 53.913 54.000 -0.137 0.000 0.771 375 D CB 1.567 42.316 40.800 -0.085 0.000 1.361 375 D HN 0.370 nan 8.370 nan 0.000 0.558 376 V N 3.281 123.072 119.914 -0.206 0.000 2.409 376 V HA 0.558 4.678 4.120 -0.000 0.000 0.291 376 V C -1.797 174.138 176.094 -0.265 0.000 1.020 376 V CA -2.088 60.086 62.300 -0.211 0.000 0.848 376 V CB 2.326 34.028 31.823 -0.203 0.000 0.990 376 V HN 0.096 nan 8.190 nan 0.000 0.430 377 P HA 0.269 nan 4.420 nan 0.000 0.224 377 P C 0.639 177.978 177.300 0.065 0.000 1.157 377 P CA 1.586 64.622 63.100 -0.107 0.000 0.799 377 P CB 0.431 32.125 31.700 -0.010 0.000 0.809 378 G N -1.017 107.743 108.800 -0.067 0.000 2.356 378 G HA2 0.179 4.139 3.960 -0.000 0.000 0.266 378 G HA3 0.179 4.139 3.960 -0.000 0.000 0.266 378 G C -1.777 172.976 174.900 -0.246 0.000 1.312 378 G CA -0.900 44.151 45.100 -0.080 0.000 0.922 378 G HN -0.041 nan 8.290 nan 0.000 0.480 379 F N 0.776 120.761 119.950 0.058 0.000 2.405 379 F HA 0.542 5.069 4.527 0.000 0.000 0.355 379 F C 0.779 176.587 175.800 0.014 0.000 1.121 379 F CA -0.637 57.380 58.000 0.029 0.000 1.112 379 F CB 1.721 40.737 39.000 0.027 0.000 1.126 379 F HN 0.398 nan 8.300 nan 0.000 0.481 380 L N 7.069 128.369 121.223 0.129 0.000 2.771 380 L HA 0.071 4.411 4.340 -0.000 0.000 0.278 380 L C -2.411 174.495 176.870 0.059 0.000 1.175 380 L CA -1.097 53.777 54.840 0.057 0.000 0.973 380 L CB -0.719 41.329 42.059 -0.018 0.000 1.286 380 L HN 0.287 nan 8.230 nan 0.000 0.481 381 P HA 0.610 nan 4.420 nan 0.000 0.274 381 P C -0.520 176.776 177.300 -0.005 0.000 1.231 381 P CA -0.214 62.901 63.100 0.026 0.000 0.790 381 P CB 1.173 32.890 31.700 0.028 0.000 0.951 382 G N -0.189 108.597 108.800 -0.023 0.000 2.277 382 G HA2 0.039 3.999 3.960 -0.000 0.000 0.272 382 G HA3 0.039 3.999 3.960 -0.000 0.000 0.272 382 G C 0.098 174.948 174.900 -0.084 0.000 1.692 382 G CA -0.353 44.717 45.100 -0.050 0.000 0.926 382 G HN 0.428 nan 8.290 nan 0.000 0.720 383 V N 0.948 120.783 119.914 -0.133 0.000 2.490 383 V HA -0.053 4.067 4.120 -0.000 0.000 0.250 383 V C 2.207 178.134 176.094 -0.279 0.000 1.061 383 V CA 2.979 65.125 62.300 -0.257 0.000 1.064 383 V CB -0.246 31.351 31.823 -0.376 0.000 0.670 383 V HN 0.747 nan 8.190 nan 0.000 0.461 384 D N -0.792 119.513 120.400 -0.159 0.000 2.144 384 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 384 D C 2.313 178.597 176.300 -0.027 0.000 0.978 384 D CA 0.941 54.897 54.000 -0.073 0.000 0.833 384 D CB -0.156 40.618 40.800 -0.043 0.000 0.961 384 D HN 0.435 nan 8.370 nan 0.000 0.470 385 Q N 0.193 119.970 119.800 -0.039 0.000 2.112 385 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 385 Q C 2.030 178.030 176.000 0.000 0.000 0.987 385 Q CA 1.300 57.093 55.803 -0.016 0.000 0.858 385 Q CB -0.203 28.527 28.738 -0.013 0.000 0.905 385 Q HN 0.316 nan 8.270 nan 0.000 0.420 386 E N -0.261 119.934 120.200 -0.008 0.000 2.016 386 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 386 E C 1.902 178.579 176.600 0.128 0.000 0.985 386 E CA 1.192 57.612 56.400 0.034 0.000 0.802 386 E CB -0.190 29.521 29.700 0.018 0.000 0.762 386 E HN 0.350 nan 8.360 nan 0.000 0.448 387 H N 0.628 119.689 119.070 -0.014 0.000 2.387 387 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 387 H C 1.063 176.384 175.328 -0.011 0.000 1.099 387 H CA 1.649 57.690 56.048 -0.012 0.000 1.315 387 H CB -0.210 29.546 29.762 -0.009 0.000 1.380 387 H HN 0.250 nan 8.280 nan 0.000 0.513 388 D N -0.750 119.722 120.400 0.121 0.000 2.340 388 D HA 0.131 4.771 4.640 -0.000 0.000 0.220 388 D C 0.766 177.088 176.300 0.036 0.000 1.039 388 D CA 0.839 54.875 54.000 0.060 0.000 0.866 388 D CB 0.039 40.867 40.800 0.045 0.000 0.913 388 D HN 0.466 nan 8.370 nan 0.000 0.523 389 G N 1.974 110.797 108.800 0.037 0.000 2.470 389 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.286 389 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.286 389 G C 0.823 175.724 174.900 0.003 0.000 1.115 389 G CA 0.179 45.288 45.100 0.015 0.000 1.122 389 G HN 0.292 nan 8.290 nan 0.000 0.522 390 I N 0.604 121.172 120.570 -0.003 0.000 2.264 390 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 390 I C 2.589 178.681 176.117 -0.043 0.000 1.111 390 I CA 1.973 63.265 61.300 -0.014 0.000 1.382 390 I CB -0.190 37.797 38.000 -0.022 0.000 1.060 390 I HN 0.590 nan 8.210 nan 0.000 0.418 391 I N 0.892 121.428 120.570 -0.058 0.000 2.194 391 I HA -0.323 3.847 4.170 -0.000 0.000 0.246 391 I C 2.422 178.510 176.117 -0.048 0.000 1.093 391 I CA 2.055 63.309 61.300 -0.076 0.000 1.355 391 I CB -0.927 37.037 38.000 -0.060 0.000 1.046 391 I HN 0.337 nan 8.210 nan 0.000 0.413 392 R N 0.633 121.116 120.500 -0.029 0.000 2.280 392 R HA 0.152 4.492 4.340 -0.000 0.000 0.195 392 R C 2.059 178.350 176.300 -0.016 0.000 0.935 392 R CA 0.050 56.137 56.100 -0.022 0.000 1.033 392 R CB -0.151 30.135 30.300 -0.024 0.000 0.964 392 R HN 0.290 nan 8.270 nan 0.000 0.489 393 R N 0.814 121.311 120.500 -0.005 0.000 2.064 393 R HA 0.100 4.440 4.340 -0.000 0.000 0.221 393 R C 2.380 178.701 176.300 0.035 0.000 1.136 393 R CA 1.262 57.369 56.100 0.012 0.000 0.980 393 R CB -0.465 29.848 30.300 0.022 0.000 0.876 393 R HN 0.376 nan 8.270 nan 0.000 0.437 394 G N 1.053 109.878 108.800 0.042 0.000 2.470 394 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 394 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 394 G C 1.494 176.450 174.900 0.092 0.000 1.121 394 G CA 0.792 45.947 45.100 0.092 0.000 0.766 394 G HN 0.382 nan 8.290 nan 0.000 0.553 395 A N 0.897 123.745 122.820 0.046 0.000 2.070 395 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 395 A C 2.273 179.925 177.584 0.112 0.000 1.159 395 A CA 1.814 53.891 52.037 0.067 0.000 0.656 395 A CB -0.273 18.748 19.000 0.036 0.000 0.800 395 A HN 0.436 nan 8.150 nan 0.000 0.453 396 K N -0.751 119.697 120.400 0.080 0.000 2.026 396 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 396 K C 1.828 178.517 176.600 0.148 0.000 1.048 396 K CA 1.356 57.693 56.287 0.083 0.000 0.929 396 K CB -0.435 32.081 32.500 0.026 0.000 0.713 396 K HN 0.366 nan 8.250 nan 0.000 0.439 397 L N 1.822 123.128 121.223 0.138 0.000 2.079 397 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 397 L C 1.917 178.916 176.870 0.214 0.000 1.081 397 L CA 1.555 56.480 54.840 0.142 0.000 0.752 397 L CB -0.264 41.903 42.059 0.180 0.000 0.896 397 L HN 0.179 nan 8.230 nan 0.000 0.433 398 I N -1.898 118.809 120.570 0.227 0.000 2.286 398 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 398 I C 2.293 178.532 176.117 0.203 0.000 1.115 398 I CA 1.301 62.731 61.300 0.218 0.000 1.392 398 I CB -0.428 37.670 38.000 0.163 0.000 1.065 398 I HN 0.236 nan 8.210 nan 0.000 0.418 399 F N 1.670 121.658 119.950 0.062 0.000 2.084 399 F HA -0.204 4.323 4.527 -0.000 0.000 0.296 399 F C 2.585 178.400 175.800 0.024 0.000 1.111 399 F CA 1.512 59.535 58.000 0.037 0.000 1.224 399 F CB -0.357 38.657 39.000 0.022 0.000 0.991 399 F HN -0.002 nan 8.300 nan 0.000 0.471 400 A N -0.005 122.959 122.820 0.240 0.000 1.859 400 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 400 A C 2.058 179.624 177.584 -0.030 0.000 1.209 400 A CA 2.272 54.343 52.037 0.057 0.000 0.639 400 A CB -1.764 17.193 19.000 -0.072 0.000 0.835 400 A HN 0.517 nan 8.150 nan 0.000 0.450 401 Y N -0.219 120.102 120.300 0.035 0.000 2.151 401 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 401 Y C 2.985 178.855 175.900 -0.050 0.000 1.166 401 Y CA 1.118 59.213 58.100 -0.009 0.000 1.163 401 Y CB -0.835 37.614 38.460 -0.020 0.000 0.974 401 Y HN 0.349 nan 8.280 nan 0.000 0.511 402 A N 0.196 123.063 122.820 0.078 0.000 1.930 402 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 402 A C 2.154 179.666 177.584 -0.119 0.000 1.175 402 A CA 1.761 53.770 52.037 -0.046 0.000 0.627 402 A CB -0.719 18.216 19.000 -0.109 0.000 0.815 402 A HN 0.624 nan 8.150 nan 0.000 0.443 403 E N 0.123 120.215 120.200 -0.179 0.000 2.358 403 E HA 0.255 4.605 4.350 -0.000 0.000 0.195 403 E C 0.885 177.444 176.600 -0.068 0.000 1.010 403 E CA 0.378 56.675 56.400 -0.173 0.000 0.856 403 E CB -0.270 29.302 29.700 -0.214 0.000 0.795 403 E HN 0.471 nan 8.360 nan 0.000 0.504 404 A N 1.132 123.935 122.820 -0.028 0.000 2.498 404 A HA 0.160 4.480 4.320 -0.000 0.000 0.239 404 A C 0.935 178.518 177.584 -0.001 0.000 1.068 404 A CA 0.490 52.524 52.037 -0.005 0.000 0.766 404 A CB 0.371 19.385 19.000 0.024 0.000 1.003 404 A HN 0.377 nan 8.150 nan 0.000 0.497 405 T N -0.774 113.779 114.554 -0.002 0.000 3.040 405 T HA 0.321 4.671 4.350 -0.000 0.000 0.266 405 T C 0.501 175.209 174.700 0.014 0.000 1.005 405 T CA 0.478 62.578 62.100 0.001 0.000 0.906 405 T CB -1.193 67.670 68.868 -0.008 0.000 1.082 405 T HN 1.138 nan 8.240 nan 0.000 0.531 406 V N -0.603 119.325 119.914 0.024 0.000 3.185 406 V HA 0.500 4.620 4.120 -0.000 0.000 0.305 406 V C -2.751 173.371 176.094 0.046 0.000 1.090 406 V CA -2.567 59.757 62.300 0.039 0.000 1.107 406 V CB -0.150 31.704 31.823 0.052 0.000 1.061 406 V HN -0.057 nan 8.190 nan 0.000 0.480 407 P HA 0.258 nan 4.420 nan 0.000 0.265 407 P C -0.803 176.530 177.300 0.055 0.000 1.187 407 P CA 0.457 63.586 63.100 0.047 0.000 0.766 407 P CB 0.176 31.908 31.700 0.053 0.000 0.820 408 L N 4.538 125.783 121.223 0.036 0.000 2.406 408 L HA 0.550 4.890 4.340 -0.000 0.000 0.272 408 L C -0.229 176.628 176.870 -0.021 0.000 0.980 408 L CA -0.402 54.456 54.840 0.031 0.000 0.831 408 L CB 1.467 43.550 42.059 0.040 0.000 1.253 408 L HN 0.245 nan 8.230 nan 0.000 0.406 409 I N 2.218 122.760 120.570 -0.047 0.000 2.478 409 I HA 0.367 4.537 4.170 -0.000 0.000 0.287 409 I C -0.652 175.342 176.117 -0.205 0.000 1.042 409 I CA -0.213 61.024 61.300 -0.104 0.000 1.067 409 I CB 2.501 40.459 38.000 -0.071 0.000 1.233 409 I HN 0.496 nan 8.210 nan 0.000 0.431 410 T N 5.461 119.871 114.554 -0.240 0.000 2.807 410 T HA 0.561 4.911 4.350 -0.000 0.000 0.279 410 T C -0.398 174.104 174.700 -0.329 0.000 0.993 410 T CA -0.506 61.402 62.100 -0.319 0.000 0.970 410 T CB 2.186 70.873 68.868 -0.300 0.000 0.950 410 T HN 0.162 nan 8.240 nan 0.000 0.441 411 V N 4.378 124.025 119.914 -0.446 0.000 2.448 411 V HA 0.506 4.626 4.120 -0.000 0.000 0.295 411 V C -0.410 175.465 176.094 -0.365 0.000 1.025 411 V CA -0.868 61.198 62.300 -0.390 0.000 0.859 411 V CB 1.510 33.088 31.823 -0.408 0.000 0.988 411 V HN 0.793 nan 8.190 nan 0.000 0.431 412 I N 4.154 124.524 120.570 -0.332 0.000 2.307 412 I HA 0.271 4.441 4.170 -0.000 0.000 0.289 412 I C 1.430 177.289 176.117 -0.429 0.000 1.021 412 I CA 0.002 61.134 61.300 -0.280 0.000 1.224 412 I CB 1.808 39.726 38.000 -0.136 0.000 1.376 412 I HN 0.819 nan 8.210 nan 0.000 0.470 413 T N 2.384 116.654 114.554 -0.474 0.000 3.057 413 T HA 0.254 4.604 4.350 -0.000 0.000 0.254 413 T C 1.112 175.760 174.700 -0.087 0.000 1.094 413 T CA 0.434 62.196 62.100 -0.563 0.000 1.088 413 T CB 0.418 68.932 68.868 -0.589 0.000 0.934 413 T HN 0.650 nan 8.240 nan 0.000 0.497 414 R N -0.002 120.454 120.500 -0.073 0.000 3.013 414 R HA 0.321 4.661 4.340 -0.000 0.000 0.091 414 R C -1.159 175.076 176.300 -0.108 0.000 0.490 414 R CA -0.661 55.431 56.100 -0.014 0.000 0.287 414 R CB 0.128 30.470 30.300 0.071 0.000 0.283 414 R HN -0.012 nan 8.270 nan 0.000 0.316 415 K N 0.726 121.007 120.400 -0.198 0.000 2.448 415 K HA 0.367 4.687 4.320 -0.000 0.000 0.278 415 K C -1.081 175.278 176.600 -0.402 0.000 1.009 415 K CA 0.740 56.741 56.287 -0.476 0.000 0.995 415 K CB 1.304 33.437 32.500 -0.613 0.000 0.917 415 K HN 0.447 nan 8.250 nan 0.000 0.481 416 A N 4.400 126.956 122.820 -0.442 0.000 3.005 416 A HA 0.377 4.697 4.320 -0.000 0.000 0.308 416 A C -1.330 176.319 177.584 0.109 0.000 1.173 416 A CA -0.731 51.237 52.037 -0.114 0.000 0.796 416 A CB 0.135 19.173 19.000 0.064 0.000 1.325 416 A HN 0.423 nan 8.150 nan 0.000 0.467 417 F N 0.714 120.697 119.950 0.056 0.000 2.509 417 F HA 0.808 5.335 4.527 0.000 0.000 0.334 417 F C 1.388 177.256 175.800 0.112 0.000 1.060 417 F CA -0.258 57.781 58.000 0.066 0.000 0.997 417 F CB 0.806 39.836 39.000 0.050 0.000 1.271 417 F HN 0.997 nan 8.300 nan 0.000 0.488 418 G N 0.969 109.968 108.800 0.331 0.000 2.581 418 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.291 418 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.291 418 G C 1.147 176.236 174.900 0.315 0.000 1.277 418 G CA 0.239 45.505 45.100 0.278 0.000 0.959 418 G HN 1.248 nan 8.290 nan 0.000 0.554 419 G N -0.393 108.629 108.800 0.371 0.000 2.422 419 G HA2 0.220 4.180 3.960 -0.000 0.000 0.218 419 G HA3 0.220 4.180 3.960 -0.000 0.000 0.218 419 G C 2.235 177.373 174.900 0.397 0.000 1.146 419 G CA 2.909 48.231 45.100 0.371 0.000 0.769 419 G HN 1.967 nan 8.290 nan 0.000 0.547 420 A N 0.451 123.506 122.820 0.392 0.000 1.971 420 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 420 A C 2.148 179.778 177.584 0.077 0.000 1.182 420 A CA 2.109 54.150 52.037 0.007 0.000 0.649 420 A CB -0.820 18.010 19.000 -0.284 0.000 0.818 420 A HN 0.669 nan 8.150 nan 0.000 0.458 421 Y N 1.372 121.702 120.300 0.051 0.000 2.128 421 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 421 Y C 2.211 178.123 175.900 0.019 0.000 1.154 421 Y CA 2.208 60.326 58.100 0.029 0.000 1.149 421 Y CB -0.391 38.117 38.460 0.081 0.000 0.976 421 Y HN 0.372 nan 8.280 nan 0.000 0.505 422 N N 0.017 118.633 118.700 -0.140 0.000 2.188 422 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 422 N C 1.942 177.368 175.510 -0.139 0.000 1.018 422 N CA 1.698 54.605 53.050 -0.240 0.000 0.858 422 N CB -0.346 38.115 38.487 -0.044 0.000 0.989 422 N HN 0.343 nan 8.380 nan 0.000 0.426 423 V N 1.474 121.399 119.914 0.019 0.000 2.392 423 V HA -0.124 3.996 4.120 -0.000 0.000 0.249 423 V C 1.298 177.421 176.094 0.049 0.000 1.059 423 V CA 1.080 63.446 62.300 0.110 0.000 1.051 423 V CB -0.263 31.692 31.823 0.221 0.000 0.658 423 V HN 0.296 nan 8.190 nan 0.000 0.455 424 M N 0.775 120.313 119.600 -0.103 0.000 3.396 424 M HA 0.340 4.820 4.480 -0.000 0.000 0.255 424 M C 1.263 177.254 176.300 -0.514 0.000 1.398 424 M CA 0.270 55.461 55.300 -0.183 0.000 1.554 424 M CB -0.807 31.719 32.600 -0.124 0.000 1.070 424 M HN 0.436 nan 8.290 nan 0.000 0.587 425 G N 1.944 110.073 108.800 -1.118 0.000 2.283 425 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 425 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 425 G C 0.461 174.956 174.900 -0.676 0.000 1.029 425 G CA 0.637 44.937 45.100 -1.334 0.000 0.840 425 G HN 0.764 nan 8.290 nan 0.000 0.505 426 S N -1.203 114.143 115.700 -0.590 0.000 2.569 426 S HA 0.271 4.741 4.470 -0.000 0.000 0.274 426 S C 1.571 175.892 174.600 -0.466 0.000 1.353 426 S CA 0.734 58.566 58.200 -0.613 0.000 1.023 426 S CB 1.247 63.946 63.200 -0.836 0.000 0.876 426 S HN 0.750 nan 8.310 nan 0.000 0.540 427 K N 0.945 121.045 120.400 -0.499 0.000 2.152 427 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 427 K C 1.747 178.127 176.600 -0.365 0.000 1.048 427 K CA 1.937 57.982 56.287 -0.405 0.000 0.933 427 K CB -0.439 31.819 32.500 -0.403 0.000 0.721 427 K HN 0.801 nan 8.250 nan 0.000 0.447 428 H N -0.229 118.720 119.070 -0.202 0.000 2.423 428 H HA -0.056 4.500 4.556 0.000 0.000 0.297 428 H C 1.609 176.856 175.328 -0.134 0.000 1.075 428 H CA 1.212 57.157 56.048 -0.173 0.000 1.342 428 H CB -0.034 29.601 29.762 -0.212 0.000 1.395 428 H HN 0.130 nan 8.280 nan 0.000 0.530 429 L N -0.231 120.955 121.223 -0.063 0.000 2.275 429 L HA 0.040 4.380 4.340 -0.000 0.000 0.215 429 L C 1.701 178.542 176.870 -0.048 0.000 1.119 429 L CA 1.557 56.367 54.840 -0.051 0.000 0.790 429 L CB -0.567 41.460 42.059 -0.053 0.000 0.919 429 L HN 0.574 nan 8.230 nan 0.000 0.443 430 G N -2.259 106.495 108.800 -0.077 0.000 2.155 430 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.130 430 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.130 430 G C 0.393 175.258 174.900 -0.060 0.000 1.027 430 G CA -0.233 44.833 45.100 -0.056 0.000 0.705 430 G HN 0.547 nan 8.290 nan 0.000 0.496 431 A N 0.119 122.874 122.820 -0.109 0.000 2.511 431 A HA 0.535 4.855 4.320 -0.000 0.000 0.242 431 A C 1.039 178.574 177.584 -0.083 0.000 1.069 431 A CA 1.129 53.100 52.037 -0.109 0.000 0.763 431 A CB 0.217 19.101 19.000 -0.194 0.000 1.001 431 A HN 0.327 nan 8.150 nan 0.000 0.498 432 D N 0.176 120.545 120.400 -0.052 0.000 2.249 432 D HA 0.199 4.839 4.640 -0.000 0.000 0.205 432 D C -0.360 175.919 176.300 -0.036 0.000 0.962 432 D CA 0.730 54.711 54.000 -0.032 0.000 0.860 432 D CB 0.124 40.919 40.800 -0.009 0.000 0.955 432 D HN 0.241 nan 8.370 nan 0.000 0.505 433 L N 0.737 121.928 121.223 -0.054 0.000 2.482 433 L HA 0.381 4.721 4.340 -0.000 0.000 0.269 433 L C -1.602 175.209 176.870 -0.098 0.000 0.967 433 L CA -0.623 54.184 54.840 -0.055 0.000 0.851 433 L CB 1.798 43.841 42.059 -0.025 0.000 1.242 433 L HN -0.207 nan 8.230 nan 0.000 0.404 434 N N 4.623 123.263 118.700 -0.101 0.000 2.442 434 N HA 0.759 5.499 4.740 -0.000 0.000 0.274 434 N C -1.293 174.147 175.510 -0.117 0.000 1.002 434 N CA -0.381 52.596 53.050 -0.123 0.000 0.910 434 N CB 1.644 40.062 38.487 -0.116 0.000 1.244 434 N HN 0.374 nan 8.380 nan 0.000 0.492 435 L N 1.223 122.358 121.223 -0.146 0.000 2.333 435 L HA 0.961 5.301 4.340 -0.000 0.000 0.269 435 L C -0.182 176.619 176.870 -0.116 0.000 1.010 435 L CA -1.033 53.721 54.840 -0.144 0.000 0.818 435 L CB 1.799 43.743 42.059 -0.191 0.000 1.306 435 L HN 0.474 nan 8.230 nan 0.000 0.430 436 A N 0.575 123.358 122.820 -0.061 0.000 2.498 436 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 436 A C -1.882 175.801 177.584 0.165 0.000 1.075 436 A CA -0.498 51.517 52.037 -0.037 0.000 0.714 436 A CB 1.163 20.117 19.000 -0.077 0.000 1.299 436 A HN 0.533 nan 8.150 nan 0.000 0.407 437 W N 0.794 122.048 121.300 -0.077 0.000 2.332 437 W HA 0.482 5.142 4.660 -0.000 0.000 0.351 437 W C -1.714 174.766 176.519 -0.065 0.000 1.195 437 W CA -2.087 55.223 57.345 -0.058 0.000 1.334 437 W CB 0.091 29.532 29.460 -0.032 0.000 1.206 437 W HN 0.504 nan 8.180 nan 0.000 0.637 438 P HA -0.123 nan 4.420 nan 0.000 0.225 438 P C 1.026 178.425 177.300 0.164 0.000 1.148 438 P CA 1.865 65.054 63.100 0.150 0.000 0.779 438 P CB -0.210 31.573 31.700 0.139 0.000 0.780 439 T N -3.155 111.516 114.554 0.195 0.000 3.148 439 T HA 0.339 4.689 4.350 -0.000 0.000 0.253 439 T C 1.073 175.847 174.700 0.123 0.000 1.134 439 T CA -0.114 62.084 62.100 0.164 0.000 1.051 439 T CB -0.477 68.503 68.868 0.186 0.000 0.959 439 T HN 0.078 nan 8.240 nan 0.000 0.525 440 A N 1.618 124.499 122.820 0.101 0.000 2.498 440 A HA 0.363 4.683 4.320 -0.000 0.000 0.239 440 A C 0.209 177.820 177.584 0.045 0.000 1.068 440 A CA -0.271 51.784 52.037 0.030 0.000 0.766 440 A CB 0.110 19.103 19.000 -0.012 0.000 1.003 440 A HN 0.537 nan 8.150 nan 0.000 0.497 441 Q N 1.646 121.460 119.800 0.023 0.000 2.558 441 Q HA 0.402 4.742 4.340 -0.000 0.000 0.252 441 Q C -1.404 174.680 176.000 0.139 0.000 1.015 441 Q CA 0.068 55.935 55.803 0.107 0.000 0.720 441 Q CB 1.392 30.230 28.738 0.167 0.000 1.215 441 Q HN 0.709 nan 8.270 nan 0.000 0.500 442 I N 2.280 122.909 120.570 0.098 0.000 2.313 442 I HA 0.451 4.621 4.170 -0.000 0.000 0.286 442 I C -0.115 176.040 176.117 0.063 0.000 1.091 442 I CA -0.187 61.135 61.300 0.037 0.000 1.216 442 I CB 0.785 38.718 38.000 -0.112 0.000 1.434 442 I HN 0.453 nan 8.210 nan 0.000 0.487 443 A N 4.647 127.603 122.820 0.227 0.000 2.386 443 A HA 0.607 4.927 4.320 -0.000 0.000 0.308 443 A C 0.867 178.494 177.584 0.071 0.000 1.128 443 A CA -0.542 51.549 52.037 0.090 0.000 0.789 443 A CB 1.368 20.363 19.000 -0.009 0.000 1.325 443 A HN 0.322 nan 8.150 nan 0.000 0.437 444 V N 0.206 120.136 119.914 0.026 0.000 2.407 444 V HA -0.043 4.077 4.120 -0.000 0.000 0.248 444 V C 0.974 177.063 176.094 -0.009 0.000 1.055 444 V CA 2.451 64.773 62.300 0.038 0.000 1.049 444 V CB -0.924 30.920 31.823 0.034 0.000 0.662 444 V HN 0.822 nan 8.190 nan 0.000 0.455 445 M N -1.724 117.783 119.600 -0.156 0.000 2.643 445 M HA 0.569 5.049 4.480 -0.000 0.000 0.276 445 M C -0.207 175.736 176.300 -0.595 0.000 1.200 445 M CA -0.288 54.826 55.300 -0.311 0.000 0.863 445 M CB 1.670 34.181 32.600 -0.147 0.000 1.711 445 M HN 0.135 nan 8.290 nan 0.000 0.492 446 G N 1.054 109.436 108.800 -0.696 0.000 2.491 446 G HA2 0.411 4.371 3.960 -0.000 0.000 0.238 446 G HA3 0.411 4.371 3.960 -0.000 0.000 0.238 446 G C 0.761 175.505 174.900 -0.261 0.000 1.277 446 G CA 0.172 44.941 45.100 -0.552 0.000 0.851 446 G HN 1.090 nan 8.290 nan 0.000 0.573 447 A N 0.981 123.744 122.820 -0.095 0.000 1.892 447 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 447 A C 2.249 179.696 177.584 -0.229 0.000 1.188 447 A CA 2.193 54.176 52.037 -0.091 0.000 0.631 447 A CB -0.656 18.443 19.000 0.165 0.000 0.822 447 A HN 0.787 nan 8.150 nan 0.000 0.447 448 Q N -0.718 119.014 119.800 -0.114 0.000 2.020 448 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 448 Q C 2.077 177.999 176.000 -0.131 0.000 0.982 448 Q CA 1.930 57.676 55.803 -0.094 0.000 0.838 448 Q CB -0.621 28.094 28.738 -0.039 0.000 0.899 448 Q HN 0.527 nan 8.270 nan 0.000 0.423 449 G N 0.049 108.769 108.800 -0.133 0.000 2.443 449 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 449 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 449 G C 1.424 176.208 174.900 -0.193 0.000 1.131 449 G CA 0.777 45.799 45.100 -0.129 0.000 0.775 449 G HN 0.511 nan 8.290 nan 0.000 0.547 450 A N 0.279 122.908 122.820 -0.317 0.000 1.873 450 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 450 A C 2.575 179.897 177.584 -0.436 0.000 1.186 450 A CA 1.816 53.570 52.037 -0.471 0.000 0.616 450 A CB -0.591 17.819 19.000 -0.982 0.000 0.823 450 A HN 0.233 nan 8.150 nan 0.000 0.442 451 V N 0.937 120.600 119.914 -0.417 0.000 2.379 451 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 451 V C 2.004 178.026 176.094 -0.120 0.000 1.044 451 V CA 1.780 63.937 62.300 -0.239 0.000 1.036 451 V CB -1.070 30.668 31.823 -0.142 0.000 0.664 451 V HN 0.510 nan 8.190 nan 0.000 0.453 452 N N 0.007 118.641 118.700 -0.111 0.000 2.405 452 N HA -0.125 4.615 4.740 -0.000 0.000 0.189 452 N C 1.437 176.914 175.510 -0.055 0.000 1.021 452 N CA 1.524 54.535 53.050 -0.064 0.000 0.891 452 N CB -0.084 38.367 38.487 -0.060 0.000 0.955 452 N HN 0.530 nan 8.380 nan 0.000 0.443 453 I N -1.574 118.948 120.570 -0.079 0.000 3.518 453 I HA -0.032 4.138 4.170 -0.000 0.000 0.260 453 I C 1.811 177.889 176.117 -0.065 0.000 1.148 453 I CA -0.144 61.118 61.300 -0.063 0.000 1.440 453 I CB -0.122 37.835 38.000 -0.071 0.000 1.485 453 I HN -0.091 nan 8.210 nan 0.000 0.456 454 L N 1.182 122.333 121.223 -0.120 0.000 1.971 454 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 454 L C 1.403 178.207 176.870 -0.110 0.000 1.072 454 L CA 2.274 57.014 54.840 -0.167 0.000 0.758 454 L CB -0.766 41.117 42.059 -0.294 0.000 0.889 454 L HN 0.282 nan 8.230 nan 0.000 0.433 455 H N -1.087 117.951 119.070 -0.053 0.000 2.507 455 H HA 0.200 4.756 4.556 -0.000 0.000 0.281 455 H C 1.289 176.597 175.328 -0.034 0.000 1.160 455 H CA -0.208 55.820 56.048 -0.034 0.000 0.981 455 H CB 0.179 29.924 29.762 -0.028 0.000 1.665 455 H HN 0.369 nan 8.280 nan 0.000 0.554 456 R N 0.200 120.744 120.500 0.073 0.000 2.189 456 R HA -0.068 4.272 4.340 -0.000 0.000 0.218 456 R C 1.926 178.242 176.300 0.026 0.000 1.074 456 R CA 0.654 56.772 56.100 0.030 0.000 0.991 456 R CB -0.021 30.284 30.300 0.007 0.000 0.883 456 R HN 0.236 nan 8.270 nan 0.000 0.457 457 R N 1.136 121.657 120.500 0.036 0.000 2.080 457 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 457 R C 1.014 177.315 176.300 0.002 0.000 1.137 457 R CA 2.156 58.267 56.100 0.018 0.000 0.943 457 R CB -0.355 29.958 30.300 0.023 0.000 0.846 457 R HN 0.246 nan 8.270 nan 0.000 0.431 458 T N 2.058 116.606 114.554 -0.009 0.000 3.215 458 T HA 0.009 4.359 4.350 -0.000 0.000 0.254 458 T C 1.525 176.211 174.700 -0.023 0.000 1.149 458 T CA 0.759 62.839 62.100 -0.034 0.000 1.042 458 T CB -0.228 68.587 68.868 -0.088 0.000 0.966 458 T HN 0.482 nan 8.240 nan 0.000 0.534 459 I N -1.413 119.152 120.570 -0.008 0.000 2.716 459 I HA 0.221 4.391 4.170 -0.000 0.000 0.259 459 I C 2.308 178.420 176.117 -0.007 0.000 1.172 459 I CA 0.622 61.918 61.300 -0.006 0.000 1.478 459 I CB -0.417 37.582 38.000 -0.001 0.000 1.104 459 I HN 0.139 nan 8.210 nan 0.000 0.439 460 A N 1.177 123.993 122.820 -0.007 0.000 1.909 460 A HA -0.014 4.306 4.320 -0.000 0.000 0.210 460 A C 0.846 178.424 177.584 -0.009 0.000 1.273 460 A CA 0.548 52.581 52.037 -0.006 0.000 0.654 460 A CB -0.689 18.308 19.000 -0.005 0.000 0.945 460 A HN 0.496 nan 8.150 nan 0.000 0.471 461 D N 0.235 120.629 120.400 -0.010 0.000 2.586 461 D HA 0.238 4.878 4.640 -0.000 0.000 0.234 461 D C 0.719 177.009 176.300 -0.017 0.000 1.132 461 D CA 1.252 55.244 54.000 -0.013 0.000 0.860 461 D CB 0.091 40.882 40.800 -0.014 0.000 1.159 461 D HN 1.254 nan 8.370 nan 0.000 0.490 462 A N 2.681 125.492 122.820 -0.015 0.000 2.822 462 A HA 0.040 4.360 4.320 -0.000 0.000 0.287 462 A C 0.660 178.235 177.584 -0.015 0.000 1.479 462 A CA 1.153 53.181 52.037 -0.016 0.000 0.779 462 A CB -1.915 17.072 19.000 -0.022 0.000 1.022 462 A HN 1.115 nan 8.150 nan 0.000 0.532 463 G N -1.199 107.594 108.800 -0.012 0.000 2.739 463 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 463 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 463 G C -0.325 174.571 174.900 -0.007 0.000 1.478 463 G CA 0.232 45.326 45.100 -0.010 0.000 1.062 463 G HN 0.102 nan 8.290 nan 0.000 0.532 464 D N 0.414 120.810 120.400 -0.006 0.000 2.398 464 D HA 0.163 4.803 4.640 -0.000 0.000 0.210 464 D C -0.249 176.049 176.300 -0.004 0.000 1.094 464 D CA 0.424 54.421 54.000 -0.005 0.000 0.839 464 D CB 1.197 41.994 40.800 -0.004 0.000 0.963 464 D HN 0.493 nan 8.370 nan 0.000 0.506 465 D N -1.421 118.976 120.400 -0.004 0.000 2.609 465 D HA 0.412 5.052 4.640 -0.000 0.000 0.239 465 D C 0.112 176.410 176.300 -0.003 0.000 1.229 465 D CA -0.670 53.328 54.000 -0.003 0.000 0.808 465 D CB 1.458 42.257 40.800 -0.002 0.000 1.448 465 D HN -0.177 nan 8.370 nan 0.000 0.433 466 A N 1.462 124.281 122.820 -0.002 0.000 2.021 466 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 466 A C 1.417 179.001 177.584 -0.000 0.000 1.163 466 A CA 0.754 52.790 52.037 -0.002 0.000 0.676 466 A CB -0.220 18.779 19.000 -0.001 0.000 0.818 466 A HN 0.534 nan 8.150 nan 0.000 0.453 467 E N 0.502 120.703 120.200 0.001 0.000 2.107 467 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 467 E C 2.226 178.828 176.600 0.003 0.000 0.982 467 E CA 1.090 57.492 56.400 0.004 0.000 0.809 467 E CB -0.869 28.833 29.700 0.004 0.000 0.756 467 E HN 0.520 nan 8.360 nan 0.000 0.459 468 A N 0.977 123.797 122.820 -0.000 0.000 1.917 468 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 468 A C 1.518 179.100 177.584 -0.003 0.000 1.182 468 A CA 2.060 54.096 52.037 -0.002 0.000 0.633 468 A CB -0.276 18.721 19.000 -0.005 0.000 0.819 468 A HN 0.223 nan 8.150 nan 0.000 0.448 469 T N -2.193 112.358 114.554 -0.005 0.000 3.823 469 T HA 0.384 4.734 4.350 -0.000 0.000 0.261 469 T C 0.546 175.244 174.700 -0.003 0.000 0.983 469 T CA 0.084 62.179 62.100 -0.008 0.000 1.151 469 T CB 0.330 69.184 68.868 -0.023 0.000 1.062 469 T HN 0.678 nan 8.240 nan 0.000 0.542 470 R N 0.532 121.035 120.500 0.005 0.000 3.718 470 R HA 0.475 4.815 4.340 -0.000 0.000 0.136 470 R C 2.215 178.525 176.300 0.016 0.000 0.698 470 R CA 0.735 56.841 56.100 0.010 0.000 1.110 470 R CB -0.824 29.478 30.300 0.003 0.000 1.594 470 R HN 0.107 nan 8.270 nan 0.000 0.490 471 A N 1.718 124.546 122.820 0.013 0.000 1.954 471 A HA -0.187 4.133 4.320 -0.000 0.000 0.222 471 A C 1.907 179.507 177.584 0.027 0.000 1.199 471 A CA 1.810 53.859 52.037 0.019 0.000 0.657 471 A CB -0.475 18.534 19.000 0.015 0.000 0.823 471 A HN 0.293 nan 8.150 nan 0.000 0.463 472 R N -1.756 118.760 120.500 0.026 0.000 2.362 472 R HA 0.267 4.607 4.340 -0.000 0.000 0.227 472 R C 1.260 177.587 176.300 0.045 0.000 0.905 472 R CA -0.030 56.090 56.100 0.033 0.000 1.067 472 R CB -0.412 29.902 30.300 0.023 0.000 1.078 472 R HN 0.471 nan 8.270 nan 0.000 0.516 473 L N 0.254 121.505 121.223 0.046 0.000 2.341 473 L HA 0.174 4.514 4.340 -0.000 0.000 0.214 473 L C 1.725 178.658 176.870 0.105 0.000 1.115 473 L CA 1.162 56.047 54.840 0.075 0.000 0.820 473 L CB -0.134 41.962 42.059 0.062 0.000 0.944 473 L HN 0.014 nan 8.230 nan 0.000 0.452 474 I N -1.343 119.271 120.570 0.073 0.000 2.206 474 I HA -0.245 3.925 4.170 -0.000 0.000 0.239 474 I C 2.301 178.497 176.117 0.132 0.000 1.078 474 I CA 0.768 62.118 61.300 0.084 0.000 1.367 474 I CB -0.149 37.876 38.000 0.043 0.000 1.078 474 I HN 0.222 nan 8.210 nan 0.000 0.413 475 Q N 1.152 121.006 119.800 0.090 0.000 2.308 475 Q HA -0.274 4.066 4.340 -0.000 0.000 0.209 475 Q C 1.920 177.970 176.000 0.083 0.000 0.985 475 Q CA 1.729 57.580 55.803 0.080 0.000 0.881 475 Q CB -0.126 28.644 28.738 0.054 0.000 0.917 475 Q HN 0.453 nan 8.270 nan 0.000 0.443 476 E N -1.669 118.589 120.200 0.097 0.000 2.318 476 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 476 E C 1.320 177.984 176.600 0.106 0.000 0.998 476 E CA 0.268 56.719 56.400 0.084 0.000 0.859 476 E CB -0.066 29.682 29.700 0.080 0.000 0.812 476 E HN 0.580 nan 8.360 nan 0.000 0.492 477 Y N 1.419 121.734 120.300 0.025 0.000 2.243 477 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 477 Y C 1.890 177.797 175.900 0.011 0.000 1.124 477 Y CA 1.683 59.789 58.100 0.011 0.000 1.159 477 Y CB 0.189 38.648 38.460 -0.003 0.000 1.008 477 Y HN 0.008 nan 8.280 nan 0.000 0.527 478 E N -0.109 120.196 120.200 0.175 0.000 2.110 478 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 478 E C 1.421 178.035 176.600 0.023 0.000 0.988 478 E CA 1.505 57.966 56.400 0.102 0.000 0.804 478 E CB -0.020 29.755 29.700 0.125 0.000 0.745 478 E HN 0.524 nan 8.360 nan 0.000 0.458 479 D N -0.557 119.851 120.400 0.014 0.000 2.213 479 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 479 D C 1.636 177.910 176.300 -0.043 0.000 0.961 479 D CA 0.987 54.985 54.000 -0.004 0.000 0.853 479 D CB -0.039 40.764 40.800 0.005 0.000 0.967 479 D HN 0.158 nan 8.370 nan 0.000 0.496 480 A N -0.304 122.468 122.820 -0.081 0.000 1.935 480 A HA 0.094 4.414 4.320 -0.000 0.000 0.214 480 A C 2.001 179.492 177.584 -0.154 0.000 1.178 480 A CA 0.797 52.768 52.037 -0.111 0.000 0.640 480 A CB -0.035 18.899 19.000 -0.110 0.000 0.825 480 A HN 0.204 nan 8.150 nan 0.000 0.447 481 L N -1.826 119.247 121.223 -0.250 0.000 2.806 481 L HA 0.263 4.603 4.340 -0.000 0.000 0.242 481 L C 0.522 177.301 176.870 -0.152 0.000 1.068 481 L CA 0.022 54.694 54.840 -0.280 0.000 0.923 481 L CB 0.053 41.766 42.059 -0.577 0.000 1.364 481 L HN 0.128 nan 8.230 nan 0.000 0.511 482 L N 3.332 124.490 121.223 -0.109 0.000 2.974 482 L HA 0.023 4.363 4.340 -0.000 0.000 0.250 482 L C 0.167 177.094 176.870 0.095 0.000 1.376 482 L CA -0.197 54.677 54.840 0.057 0.000 1.170 482 L CB -1.414 40.725 42.059 0.133 0.000 1.577 482 L HN 0.449 nan 8.230 nan 0.000 0.429 483 N N -0.519 118.233 118.700 0.088 0.000 2.906 483 N HA 0.501 5.242 4.740 -0.000 0.000 0.327 483 N C -2.516 173.058 175.510 0.107 0.000 1.344 483 N CA -2.047 51.097 53.050 0.158 0.000 0.823 483 N CB 0.521 39.174 38.487 0.277 0.000 1.351 483 N HN -0.287 nan 8.380 nan 0.000 0.604 484 P HA 0.242 nan 4.420 nan 0.000 0.275 484 P C 0.348 177.562 177.300 -0.143 0.000 1.310 484 P CA 0.274 63.318 63.100 -0.092 0.000 0.904 484 P CB -0.050 31.534 31.700 -0.194 0.000 1.381 485 Y N 0.554 120.841 120.300 -0.021 0.000 2.337 485 Y HA -0.118 4.432 4.550 -0.000 0.000 0.293 485 Y C 2.728 178.593 175.900 -0.058 0.000 1.123 485 Y CA 1.810 59.891 58.100 -0.032 0.000 1.201 485 Y CB -1.274 37.171 38.460 -0.026 0.000 1.011 485 Y HN 0.030 nan 8.280 nan 0.000 0.545 486 T N -2.111 112.484 114.554 0.068 0.000 2.821 486 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 486 T C 2.170 176.809 174.700 -0.100 0.000 1.046 486 T CA 1.065 63.151 62.100 -0.023 0.000 1.139 486 T CB -0.647 68.195 68.868 -0.043 0.000 0.871 486 T HN 0.270 nan 8.240 nan 0.000 0.454 487 A N 1.971 124.736 122.820 -0.091 0.000 1.908 487 A HA 0.263 4.583 4.320 -0.000 0.000 0.218 487 A C 2.858 180.355 177.584 -0.145 0.000 1.181 487 A CA 2.106 54.070 52.037 -0.122 0.000 0.627 487 A CB -1.468 17.521 19.000 -0.018 0.000 0.818 487 A HN 0.819 nan 8.150 nan 0.000 0.445 488 A N 0.872 123.636 122.820 -0.094 0.000 1.877 488 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 488 A C 1.954 179.496 177.584 -0.069 0.000 1.186 488 A CA 1.730 53.722 52.037 -0.075 0.000 0.620 488 A CB -0.776 18.176 19.000 -0.080 0.000 0.822 488 A HN 0.782 nan 8.150 nan 0.000 0.443 489 E N -0.280 119.885 120.200 -0.058 0.000 2.219 489 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 489 E C 1.936 178.468 176.600 -0.115 0.000 0.998 489 E CA 1.295 57.660 56.400 -0.058 0.000 0.818 489 E CB -0.312 29.365 29.700 -0.038 0.000 0.741 489 E HN 0.608 nan 8.360 nan 0.000 0.477 490 R N -0.239 120.122 120.500 -0.233 0.000 2.173 490 R HA 0.084 4.424 4.340 -0.000 0.000 0.208 490 R C 1.361 177.546 176.300 -0.191 0.000 1.035 490 R CA 0.685 56.590 56.100 -0.326 0.000 1.004 490 R CB 0.468 30.282 30.300 -0.809 0.000 0.917 490 R HN 0.444 nan 8.270 nan 0.000 0.462 491 G N -0.131 108.592 108.800 -0.128 0.000 2.179 491 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 491 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 491 G C 0.644 175.630 174.900 0.144 0.000 0.990 491 G CA 0.002 45.111 45.100 0.016 0.000 0.646 491 G HN 0.430 nan 8.290 nan 0.000 0.517 492 Y N -0.497 119.825 120.300 0.036 0.000 2.384 492 Y HA 0.122 4.672 4.550 -0.000 0.000 0.289 492 Y C 1.469 177.340 175.900 -0.049 0.000 1.152 492 Y CA 0.909 59.013 58.100 0.006 0.000 1.258 492 Y CB 0.204 38.760 38.460 0.159 0.000 0.979 492 Y HN 0.201 nan 8.280 nan 0.000 0.549 493 V N 1.062 121.048 119.914 0.121 0.000 2.588 493 V HA 0.044 4.164 4.120 -0.000 0.000 0.304 493 V C -0.494 175.595 176.094 -0.008 0.000 1.042 493 V CA -0.694 61.620 62.300 0.025 0.000 0.877 493 V CB 1.801 33.626 31.823 0.003 0.000 0.996 493 V HN 0.202 nan 8.190 nan 0.000 0.425 494 D N 3.303 123.687 120.400 -0.027 0.000 2.349 494 D HA 0.477 5.117 4.640 -0.000 0.000 0.215 494 D C 0.320 176.603 176.300 -0.028 0.000 1.016 494 D CA 0.797 54.786 54.000 -0.019 0.000 0.870 494 D CB 0.544 41.337 40.800 -0.013 0.000 0.917 494 D HN 0.709 nan 8.370 nan 0.000 0.524 495 A N -0.487 122.297 122.820 -0.060 0.000 2.581 495 A HA 0.527 4.847 4.320 -0.000 0.000 0.294 495 A C -1.788 175.736 177.584 -0.100 0.000 1.035 495 A CA -0.711 51.287 52.037 -0.065 0.000 0.684 495 A CB 1.066 20.039 19.000 -0.045 0.000 1.282 495 A HN 0.271 nan 8.150 nan 0.000 0.417 496 V N 2.031 121.887 119.914 -0.097 0.000 2.715 496 V HA 0.975 5.095 4.120 -0.000 0.000 0.310 496 V C -0.969 175.110 176.094 -0.026 0.000 1.054 496 V CA -0.431 61.806 62.300 -0.105 0.000 0.928 496 V CB 1.444 33.093 31.823 -0.290 0.000 1.007 496 V HN 1.814 nan 8.190 nan 0.000 0.437 497 I N 4.795 125.382 120.570 0.028 0.000 3.021 497 I HA 0.495 4.665 4.170 -0.000 0.000 0.305 497 I C -0.838 175.265 176.117 -0.024 0.000 1.434 497 I CA -0.891 60.433 61.300 0.040 0.000 0.969 497 I CB 2.267 40.316 38.000 0.082 0.000 1.328 497 I HN 0.694 nan 8.210 nan 0.000 0.486 498 M N 5.374 124.934 119.600 -0.067 0.000 2.248 498 M HA 0.170 4.650 4.480 -0.000 0.000 0.345 498 M C -1.611 174.427 176.300 -0.438 0.000 1.243 498 M CA -1.457 53.718 55.300 -0.208 0.000 1.090 498 M CB -0.396 32.122 32.600 -0.136 0.000 1.683 498 M HN 0.338 nan 8.290 nan 0.000 0.450 499 P HA -0.178 nan 4.420 nan 0.000 0.216 499 P C 1.418 178.362 177.300 -0.593 0.000 1.154 499 P CA 1.954 64.061 63.100 -1.655 0.000 0.865 499 P CB -0.116 30.330 31.700 -2.090 0.000 0.789 500 S N -1.365 114.116 115.700 -0.365 0.000 2.462 500 S HA -0.183 4.287 4.470 -0.000 0.000 0.243 500 S C 1.275 175.857 174.600 -0.031 0.000 1.003 500 S CA 1.607 59.722 58.200 -0.142 0.000 0.970 500 S CB -1.126 62.010 63.200 -0.106 0.000 0.762 500 S HN 0.100 nan 8.310 nan 0.000 0.510 501 D N 0.970 121.364 120.400 -0.010 0.000 2.349 501 D HA 0.106 4.746 4.640 -0.000 0.000 0.214 501 D C 1.943 178.379 176.300 0.226 0.000 1.063 501 D CA 0.957 55.017 54.000 0.100 0.000 0.847 501 D CB -0.136 40.738 40.800 0.125 0.000 0.933 501 D HN 0.627 nan 8.370 nan 0.000 0.513 502 T N -0.521 114.189 114.554 0.261 0.000 2.746 502 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 502 T C 1.944 176.829 174.700 0.309 0.000 1.039 502 T CA 1.143 63.467 62.100 0.373 0.000 1.142 502 T CB 0.075 69.287 68.868 0.573 0.000 0.866 502 T HN 0.074 nan 8.240 nan 0.000 0.444 503 R N 0.445 121.097 120.500 0.253 0.000 2.091 503 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 503 R C 2.728 179.125 176.300 0.162 0.000 1.136 503 R CA 1.490 57.714 56.100 0.208 0.000 0.959 503 R CB -0.192 30.208 30.300 0.166 0.000 0.856 503 R HN 0.448 nan 8.270 nan 0.000 0.437 504 R N -1.365 119.210 120.500 0.126 0.000 2.189 504 R HA -0.087 4.253 4.340 -0.000 0.000 0.218 504 R C 2.006 178.333 176.300 0.046 0.000 1.074 504 R CA 1.328 57.464 56.100 0.061 0.000 0.991 504 R CB -0.272 30.034 30.300 0.009 0.000 0.883 504 R HN 0.470 nan 8.270 nan 0.000 0.457 505 H N 0.629 119.749 119.070 0.083 0.000 2.307 505 H HA 0.047 4.603 4.556 0.000 0.000 0.303 505 H C 2.057 177.426 175.328 0.068 0.000 1.073 505 H CA 1.556 57.647 56.048 0.072 0.000 1.338 505 H CB 0.097 29.909 29.762 0.083 0.000 1.389 505 H HN 0.004 nan 8.280 nan 0.000 0.503 506 I N -0.204 120.503 120.570 0.228 0.000 2.248 506 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 506 I C 2.097 178.289 176.117 0.125 0.000 1.107 506 I CA 0.948 62.340 61.300 0.154 0.000 1.373 506 I CB -0.249 37.853 38.000 0.171 0.000 1.055 506 I HN 0.147 nan 8.210 nan 0.000 0.418 507 V N 0.708 120.691 119.914 0.116 0.000 2.307 507 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 507 V C 2.499 178.632 176.094 0.065 0.000 1.045 507 V CA 1.880 64.232 62.300 0.086 0.000 1.024 507 V CB -0.616 31.249 31.823 0.071 0.000 0.651 507 V HN 0.383 nan 8.190 nan 0.000 0.449 508 R N -0.232 120.299 120.500 0.051 0.000 2.161 508 R HA 0.038 4.378 4.340 -0.000 0.000 0.213 508 R C 2.384 178.715 176.300 0.051 0.000 1.055 508 R CA 0.942 57.061 56.100 0.033 0.000 0.996 508 R CB -0.536 29.761 30.300 -0.005 0.000 0.901 508 R HN 0.573 nan 8.270 nan 0.000 0.456 509 G N 1.535 110.381 108.800 0.077 0.000 2.414 509 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 509 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 509 G C 1.433 176.369 174.900 0.061 0.000 1.188 509 G CA 0.353 45.499 45.100 0.077 0.000 0.783 509 G HN 0.097 nan 8.290 nan 0.000 0.537 510 L N -0.119 121.144 121.223 0.068 0.000 2.131 510 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 510 L C 3.169 180.071 176.870 0.054 0.000 1.092 510 L CA 0.806 55.685 54.840 0.065 0.000 0.759 510 L CB -0.355 41.752 42.059 0.081 0.000 0.903 510 L HN 0.160 nan 8.230 nan 0.000 0.435 511 R N -0.375 120.155 120.500 0.050 0.000 2.082 511 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 511 R C 2.385 178.705 176.300 0.033 0.000 1.136 511 R CA 1.342 57.465 56.100 0.039 0.000 0.935 511 R CB -0.393 29.927 30.300 0.033 0.000 0.842 511 R HN 0.401 nan 8.270 nan 0.000 0.430 512 Q N 0.352 120.172 119.800 0.033 0.000 2.084 512 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 512 Q C 2.000 178.017 176.000 0.028 0.000 0.978 512 Q CA 1.063 56.883 55.803 0.028 0.000 0.844 512 Q CB -0.136 28.619 28.738 0.030 0.000 0.898 512 Q HN 0.185 nan 8.270 nan 0.000 0.426 513 L N 0.695 121.938 121.223 0.033 0.000 2.549 513 L HA -0.067 4.273 4.340 -0.000 0.000 0.229 513 L C 2.112 179.001 176.870 0.032 0.000 1.158 513 L CA 1.090 55.949 54.840 0.032 0.000 0.842 513 L CB -0.570 41.511 42.059 0.037 0.000 0.952 513 L HN 0.092 nan 8.230 nan 0.000 0.452 514 R N -0.799 119.720 120.500 0.032 0.000 2.148 514 R HA -0.073 4.267 4.340 -0.000 0.000 0.227 514 R C 1.211 177.525 176.300 0.023 0.000 1.103 514 R CA 1.528 57.647 56.100 0.030 0.000 0.983 514 R CB -0.006 30.311 30.300 0.028 0.000 0.874 514 R HN 0.506 nan 8.270 nan 0.000 0.451 515 T N -1.825 112.741 114.554 0.019 0.000 3.251 515 T HA 0.135 4.485 4.350 -0.000 0.000 0.259 515 T C 0.226 174.934 174.700 0.013 0.000 0.998 515 T CA -0.466 61.642 62.100 0.014 0.000 0.905 515 T CB 0.053 68.928 68.868 0.012 0.000 1.067 515 T HN 0.010 nan 8.240 nan 0.000 0.569 516 K N 2.410 122.820 120.400 0.016 0.000 2.383 516 K HA 0.253 4.573 4.320 -0.000 0.000 0.286 516 K C -0.536 176.070 176.600 0.010 0.000 1.051 516 K CA -0.497 55.798 56.287 0.013 0.000 0.974 516 K CB 0.359 32.870 32.500 0.017 0.000 0.968 516 K HN 0.299 nan 8.250 nan 0.000 0.475 517 R N 2.625 123.129 120.500 0.006 0.000 2.538 517 R HA 0.411 4.751 4.340 -0.000 0.000 0.292 517 R C -1.234 175.066 176.300 -0.001 0.000 1.008 517 R CA -0.780 55.321 56.100 0.002 0.000 0.896 517 R CB 1.088 31.389 30.300 0.001 0.000 1.187 517 R HN 0.656 nan 8.270 nan 0.000 0.440 518 E N 0.660 120.857 120.200 -0.004 0.000 2.458 518 E HA 0.808 5.158 4.350 -0.000 0.000 0.250 518 E C -0.820 175.774 176.600 -0.010 0.000 0.883 518 E CA -1.369 55.026 56.400 -0.007 0.000 0.868 518 E CB 2.099 31.794 29.700 -0.009 0.000 1.593 518 E HN 0.534 nan 8.360 nan 0.000 0.410 519 S N -1.044 114.648 115.700 -0.013 0.000 2.653 519 S HA 0.512 4.982 4.470 -0.000 0.000 0.264 519 S C -2.151 172.438 174.600 -0.019 0.000 1.070 519 S CA -0.472 57.718 58.200 -0.016 0.000 0.885 519 S CB 0.399 63.590 63.200 -0.013 0.000 1.157 519 S HN 0.599 nan 8.310 nan 0.000 0.479 520 L N -0.665 120.546 121.223 -0.020 0.000 3.042 520 L HA 0.833 5.173 4.340 -0.000 0.000 0.282 520 L C -2.748 174.110 176.870 -0.020 0.000 1.032 520 L CA -1.576 53.251 54.840 -0.022 0.000 1.001 520 L CB 0.501 42.542 42.059 -0.030 0.000 1.587 520 L HN 0.549 nan 8.230 nan 0.000 0.368 521 P HA 0.382 nan 4.420 nan 0.000 0.279 521 P C -2.671 174.617 177.300 -0.021 0.000 1.239 521 P CA -0.812 62.276 63.100 -0.019 0.000 0.789 521 P CB 0.045 31.734 31.700 -0.019 0.000 0.933 522 P HA 0.203 nan 4.420 nan 0.000 0.271 522 P C -0.659 176.624 177.300 -0.029 0.000 1.216 522 P CA -0.083 63.005 63.100 -0.021 0.000 0.776 522 P CB 0.875 32.564 31.700 -0.019 0.000 0.881 523 K N 0.627 121.008 120.400 -0.032 0.000 2.482 523 K HA 0.411 4.731 4.320 -0.000 0.000 0.257 523 K C 0.503 177.068 176.600 -0.058 0.000 0.969 523 K CA -1.104 55.149 56.287 -0.057 0.000 0.842 523 K CB 2.172 34.638 32.500 -0.056 0.000 1.359 523 K HN -0.031 nan 8.250 nan 0.000 0.441 524 K N -0.006 120.325 120.400 -0.115 0.000 2.026 524 K HA -0.146 4.173 4.320 -0.000 0.000 0.208 524 K C -0.040 176.572 176.600 0.019 0.000 1.048 524 K CA 2.101 58.344 56.287 -0.075 0.000 0.929 524 K CB -0.302 32.108 32.500 -0.151 0.000 0.713 524 K HN 0.861 nan 8.250 nan 0.000 0.439 525 H N -4.689 114.394 119.070 0.022 0.000 2.921 525 H HA 0.389 4.945 4.556 -0.000 0.000 0.287 525 H C -0.321 175.043 175.328 0.061 0.000 1.434 525 H CA -0.718 55.351 56.048 0.036 0.000 1.178 525 H CB 0.342 30.119 29.762 0.026 0.000 1.836 525 H HN 0.055 nan 8.280 nan 0.000 0.495 526 G N -0.781 108.195 108.800 0.294 0.000 2.563 526 G HA2 0.225 4.185 3.960 -0.000 0.000 0.283 526 G HA3 0.225 4.185 3.960 -0.000 0.000 0.283 526 G C -0.521 174.587 174.900 0.345 0.000 1.309 526 G CA -0.549 44.742 45.100 0.319 0.000 1.022 526 G HN 0.894 nan 8.290 nan 0.000 0.501 527 N N -0.247 118.591 118.700 0.230 0.000 2.723 527 N HA 0.111 4.851 4.740 -0.000 0.000 0.290 527 N C -0.223 175.198 175.510 -0.149 0.000 1.882 527 N CA -0.430 52.666 53.050 0.078 0.000 0.851 527 N CB 0.453 38.994 38.487 0.091 0.000 1.234 527 N HN 0.414 nan 8.380 nan 0.000 0.491 528 I N 1.637 121.902 120.570 -0.509 0.000 2.872 528 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 528 I C -1.921 173.928 176.117 -0.448 0.000 1.216 528 I CA -1.138 59.539 61.300 -1.039 0.000 1.424 528 I CB 0.804 38.066 38.000 -1.230 0.000 1.351 528 I HN 0.237 nan 8.210 nan 0.000 0.592 529 P HA 0.186 nan 4.420 nan 0.000 0.268 529 P C -0.921 176.288 177.300 -0.151 0.000 1.204 529 P CA 0.257 63.258 63.100 -0.164 0.000 0.768 529 P CB 0.548 32.191 31.700 -0.096 0.000 0.842 530 L N 0.000 121.159 121.223 -0.107 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.787 54.840 -0.089 0.000 0.813 530 L CB 0.000 42.002 42.059 -0.096 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502