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 1zun_1_B DATA FIRST_RESID 16 DATA SEQUENCE LGQHERKEXL RFLTCGNVDD GKSTLIGRLL HDSKXIXXXX XXXXXXXXXX DATA SEQUENCE XXXXGDDXXL ALLVDGLQAX XXXXITIDVA YRYFSTAKRK FIIADTPGHE DATA SEQUENCE QYTRNXATGA STCDLAIILV DARYGVQTQT RRHSYIASLL GIKHIVVAIN DATA SEQUENCE KXDLNGFDER VFESIKADYL KFAEGIAFKP TTXAFVPXSA LKGDNVVNKS DATA SEQUENCE ERSPWYAGQS LXEILETVEI ASDRNYTDLR FPVQYVNRPN LNFRGFAGTL DATA SEQUENCE ASGIVHKGDE IVVLPSGKSS RVKSIVTFEG ELEQAGPGQA VTLTXEDEID DATA SEQUENCE ISRGDLLVHA DNVPQVSDAF DAXLVWXAEE PXLPGKKYDI KRATSYVPGS DATA SEQUENCE IASITHRVDV NTLEEGPASS LQLNEIGRVK VSLDAPIALD GYSSNRTTGA DATA SEQUENCE FIVIDRLTNG TVAAGXIIA 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 16 L HA 0.000 nan 4.340 nan 0.000 0.249 16 L C 0.000 176.929 176.870 0.098 0.000 1.165 16 L CA 0.000 54.879 54.840 0.065 0.000 0.813 16 L CB 0.000 42.072 42.059 0.021 0.000 0.961 17 G N 0.896 109.741 108.800 0.075 0.000 3.329 17 G HA2 -0.345 3.615 3.960 0.000 0.000 0.220 17 G HA3 -0.345 3.615 3.960 0.000 0.000 0.220 17 G C 0.819 175.748 174.900 0.049 0.000 1.358 17 G CA 0.766 45.898 45.100 0.052 0.000 0.856 17 G HN 0.639 nan 8.290 nan 0.000 0.551 18 Q N -0.133 119.702 119.800 0.059 0.000 2.354 18 Q HA 0.068 4.408 4.340 0.000 0.000 0.203 18 Q C 1.813 177.779 176.000 -0.055 0.000 0.933 18 Q CA 0.484 56.280 55.803 -0.012 0.000 0.901 18 Q CB -0.040 28.668 28.738 -0.050 0.000 1.007 18 Q HN 0.805 nan 8.270 nan 0.000 0.495 19 H N -0.007 119.059 119.070 -0.007 0.000 2.556 19 H HA 0.003 4.559 4.556 0.000 0.000 0.268 19 H C 0.799 176.116 175.328 -0.018 0.000 0.996 19 H CA 0.600 56.641 56.048 -0.012 0.000 1.157 19 H CB 0.559 30.318 29.762 -0.006 0.000 1.355 19 H HN 0.401 nan 8.280 nan 0.000 0.597 20 E N 0.572 120.810 120.200 0.063 0.000 2.230 20 E HA 0.029 4.379 4.350 0.000 0.000 0.192 20 E C 0.494 177.096 176.600 0.003 0.000 0.987 20 E CA 0.327 56.746 56.400 0.032 0.000 0.841 20 E CB 0.464 30.179 29.700 0.025 0.000 0.783 20 E HN 0.155 nan 8.360 nan 0.000 0.481 21 R N 1.258 121.748 120.500 -0.017 0.000 2.477 21 R HA 0.288 4.628 4.340 0.000 0.000 0.285 21 R C -0.832 175.435 176.300 -0.054 0.000 1.415 21 R CA -0.131 55.952 56.100 -0.030 0.000 1.446 21 R CB 0.829 31.114 30.300 -0.025 0.000 1.110 21 R HN -0.123 nan 8.270 nan 0.000 0.590 22 K N 0.895 121.258 120.400 -0.061 0.000 2.340 22 K HA 0.361 4.682 4.320 0.000 0.000 0.244 22 K C -0.258 176.286 176.600 -0.095 0.000 0.973 22 K CA -0.906 55.324 56.287 -0.095 0.000 0.828 22 K CB 2.529 34.962 32.500 -0.112 0.000 1.226 22 K HN 0.218 nan 8.250 nan 0.000 0.437 26 R N 4.791 125.385 120.500 0.158 0.000 2.229 26 R HA 0.682 5.022 4.340 0.000 0.000 0.328 26 R C -1.166 175.275 176.300 0.234 0.000 1.009 26 R CA -0.419 55.751 56.100 0.117 0.000 0.864 26 R CB 0.996 31.323 30.300 0.046 0.000 1.085 26 R HN 0.427 nan 8.270 nan 0.000 0.453 27 F N 0.589 120.623 119.950 0.140 0.000 2.563 27 F HA 0.600 5.127 4.527 0.000 0.000 0.316 27 F C -1.249 174.607 175.800 0.094 0.000 1.076 27 F CA -1.759 56.315 58.000 0.124 0.000 0.921 27 F CB 1.049 40.127 39.000 0.131 0.000 1.209 27 F HN 0.231 nan 8.300 nan 0.000 0.462 28 L N 2.649 124.017 121.223 0.242 0.000 2.322 28 L HA 0.712 5.052 4.340 0.000 0.000 0.279 28 L C -0.181 176.790 176.870 0.170 0.000 1.036 28 L CA -0.058 54.849 54.840 0.113 0.000 0.807 28 L CB 1.912 44.021 42.059 0.084 0.000 1.226 28 L HN 0.934 nan 8.230 nan 0.000 0.433 29 T N 0.979 115.576 114.554 0.071 0.000 2.779 29 T HA 0.618 4.969 4.350 0.000 0.000 0.280 29 T C -0.585 174.108 174.700 -0.010 0.000 0.987 29 T CA -0.615 61.530 62.100 0.075 0.000 0.966 29 T CB 0.533 69.441 68.868 0.065 0.000 0.933 29 T HN 0.608 nan 8.240 nan 0.000 0.442 30 C N 2.731 122.037 119.300 0.011 0.000 2.396 30 C HA 1.040 5.500 4.460 0.000 0.000 0.321 30 C C 0.799 175.851 174.990 0.104 0.000 1.233 30 C CA -0.365 58.613 59.018 -0.066 0.000 1.440 30 C CB 0.540 28.260 27.740 -0.033 0.000 2.110 30 C HN 1.452 nan 8.230 nan 0.000 0.473 31 G N 2.985 111.860 108.800 0.126 0.000 2.325 31 G HA2 0.299 4.259 3.960 0.000 0.000 0.297 31 G HA3 0.299 4.259 3.960 0.000 0.000 0.297 31 G C -1.970 173.039 174.900 0.182 0.000 1.448 31 G CA -0.702 44.523 45.100 0.208 0.000 0.838 31 G HN 0.706 nan 8.290 nan 0.000 0.579 32 N N -1.366 117.409 118.700 0.125 0.000 2.530 32 N HA 0.530 5.270 4.740 0.000 0.000 0.283 32 N C 0.273 175.803 175.510 0.034 0.000 1.238 32 N CA -0.831 52.268 53.050 0.082 0.000 0.971 32 N CB 1.995 40.504 38.487 0.037 0.000 1.195 32 N HN 0.323 nan 8.380 nan 0.000 0.583 33 V N 1.979 121.909 119.914 0.026 0.000 2.625 33 V HA -0.120 4.000 4.120 0.000 0.000 0.305 33 V C 0.426 176.515 176.094 -0.008 0.000 1.055 33 V CA 1.020 63.325 62.300 0.009 0.000 1.209 33 V CB -0.351 31.479 31.823 0.012 0.000 0.877 33 V HN 0.829 nan 8.190 nan 0.000 0.489 34 D N 2.087 122.486 120.400 -0.001 0.000 3.070 34 D HA -0.163 4.477 4.640 0.000 0.000 0.210 34 D C 0.809 177.116 176.300 0.012 0.000 1.103 34 D CA 1.103 55.105 54.000 0.003 0.000 0.980 34 D CB -0.606 40.196 40.800 0.002 0.000 1.100 34 D HN 0.803 nan 8.370 nan 0.000 0.423 35 D N 0.150 120.557 120.400 0.013 0.000 2.183 35 D HA 0.115 4.755 4.640 0.000 0.000 0.203 35 D C 1.866 178.184 176.300 0.029 0.000 0.969 35 D CA 2.048 56.065 54.000 0.028 0.000 0.842 35 D CB -0.026 40.795 40.800 0.035 0.000 0.957 35 D HN 0.576 nan 8.370 nan 0.000 0.484 36 G N 0.934 109.746 108.800 0.019 0.000 2.186 36 G HA2 -0.221 3.739 3.960 0.000 0.000 0.130 36 G HA3 -0.221 3.739 3.960 0.000 0.000 0.130 36 G C 0.915 175.820 174.900 0.008 0.000 1.031 36 G CA 0.409 45.516 45.100 0.013 0.000 0.697 36 G HN 0.432 nan 8.290 nan 0.000 0.494 37 K N -0.619 119.786 120.400 0.008 0.000 2.228 37 K HA 0.227 4.547 4.320 0.000 0.000 0.202 37 K C 2.111 178.707 176.600 -0.008 0.000 1.051 37 K CA 1.374 57.664 56.287 0.006 0.000 0.960 37 K CB -0.103 32.403 32.500 0.010 0.000 0.743 37 K HN 0.125 nan 8.250 nan 0.000 0.458 38 S N 1.121 116.812 115.700 -0.015 0.000 2.383 38 S HA -0.086 4.384 4.470 0.000 0.000 0.227 38 S C 1.760 176.345 174.600 -0.026 0.000 1.026 38 S CA 1.733 59.918 58.200 -0.024 0.000 0.981 38 S CB -0.332 62.853 63.200 -0.025 0.000 0.818 38 S HN 0.489 nan 8.310 nan 0.000 0.472 39 T N 2.446 116.988 114.554 -0.020 0.000 2.777 39 T HA -0.016 4.334 4.350 0.000 0.000 0.266 39 T C 1.760 176.445 174.700 -0.024 0.000 1.040 39 T CA 0.966 63.053 62.100 -0.023 0.000 1.141 39 T CB -0.390 68.470 68.868 -0.014 0.000 0.868 39 T HN 0.204 nan 8.240 nan 0.000 0.444 40 L N 1.086 122.300 121.223 -0.016 0.000 2.005 40 L HA 0.094 4.434 4.340 0.000 0.000 0.207 40 L C 2.206 179.054 176.870 -0.036 0.000 1.072 40 L CA 1.505 56.334 54.840 -0.018 0.000 0.744 40 L CB -0.703 41.355 42.059 -0.000 0.000 0.895 40 L HN 0.219 nan 8.230 nan 0.000 0.433 41 I N -0.298 120.255 120.570 -0.029 0.000 2.163 41 I HA -0.266 3.904 4.170 0.000 0.000 0.243 41 I C 2.487 178.546 176.117 -0.097 0.000 1.085 41 I CA 1.490 62.758 61.300 -0.053 0.000 1.347 41 I CB -1.114 36.868 38.000 -0.031 0.000 1.044 41 I HN 0.461 nan 8.210 nan 0.000 0.408 42 G N 0.515 109.277 108.800 -0.064 0.000 2.440 42 G HA2 -0.342 3.618 3.960 0.000 0.000 0.218 42 G HA3 -0.342 3.618 3.960 0.000 0.000 0.218 42 G C 1.710 176.581 174.900 -0.049 0.000 1.154 42 G CA 1.071 46.136 45.100 -0.059 0.000 0.767 42 G HN 0.221 nan 8.290 nan 0.000 0.552 43 R N 0.300 120.770 120.500 -0.050 0.000 2.081 43 R HA 0.115 4.455 4.340 0.000 0.000 0.235 43 R C 2.522 178.786 176.300 -0.060 0.000 1.131 43 R CA 1.093 57.179 56.100 -0.022 0.000 0.960 43 R CB -0.647 29.640 30.300 -0.023 0.000 0.856 43 R HN 0.418 nan 8.270 nan 0.000 0.436 44 L N -0.210 120.914 121.223 -0.166 0.000 2.044 44 L HA -0.100 4.240 4.340 0.000 0.000 0.205 44 L C 2.282 178.822 176.870 -0.551 0.000 1.075 44 L CA 1.152 55.783 54.840 -0.349 0.000 0.747 44 L CB -0.473 41.326 42.059 -0.432 0.000 0.903 44 L HN 0.199 nan 8.230 nan 0.000 0.435 45 L N -0.938 119.981 121.223 -0.508 0.000 2.187 45 L HA -0.252 4.088 4.340 0.000 0.000 0.213 45 L C 2.538 179.354 176.870 -0.091 0.000 1.100 45 L CA 1.168 55.788 54.840 -0.365 0.000 0.765 45 L CB -0.645 41.316 42.059 -0.163 0.000 0.904 45 L HN 0.369 nan 8.230 nan 0.000 0.437 46 H N -0.114 118.876 119.070 -0.133 0.000 2.344 46 H HA -0.065 4.491 4.556 0.000 0.000 0.307 46 H C 1.615 176.924 175.328 -0.031 0.000 1.057 46 H CA 1.281 57.296 56.048 -0.056 0.000 1.373 46 H CB 0.226 29.960 29.762 -0.048 0.000 1.421 46 H HN 0.098 nan 8.280 nan 0.000 0.532 47 D N -0.602 119.758 120.400 -0.066 0.000 2.348 47 D HA -0.083 4.557 4.640 0.000 0.000 0.216 47 D C 1.942 178.214 176.300 -0.048 0.000 0.970 47 D CA 1.019 54.967 54.000 -0.087 0.000 0.889 47 D CB -0.192 40.605 40.800 -0.006 0.000 0.912 47 D HN 0.489 nan 8.370 nan 0.000 0.524 48 S N -0.767 114.926 115.700 -0.011 0.000 2.527 48 S HA 0.015 4.485 4.470 0.000 0.000 0.222 48 S C 1.072 175.728 174.600 0.092 0.000 0.985 48 S CA 0.114 58.384 58.200 0.116 0.000 0.921 48 S CB 0.328 63.721 63.200 0.321 0.000 0.772 48 S HN -0.115 nan 8.310 nan 0.000 0.529 71 D N 1.642 122.043 120.400 0.003 0.000 2.619 71 D HA 0.252 4.892 4.640 0.000 0.000 0.224 71 D C 0.342 176.610 176.300 -0.053 0.000 1.133 71 D CA -0.148 53.824 54.000 -0.047 0.000 1.017 71 D CB 0.457 41.232 40.800 -0.041 0.000 1.077 71 D HN 0.257 nan 8.370 nan 0.000 0.503 76 A N 0.706 123.424 122.820 -0.171 0.000 1.883 76 A HA -0.106 4.214 4.320 0.000 0.000 0.217 76 A C 1.990 179.532 177.584 -0.070 0.000 1.186 76 A CA 2.410 54.389 52.037 -0.096 0.000 0.624 76 A CB -0.861 18.098 19.000 -0.068 0.000 0.822 76 A HN 0.456 nan 8.150 nan 0.000 0.444 77 L N -1.024 120.161 121.223 -0.062 0.000 2.156 77 L HA -0.083 4.257 4.340 0.000 0.000 0.208 77 L C 2.529 179.380 176.870 -0.033 0.000 1.095 77 L CA 0.547 55.364 54.840 -0.037 0.000 0.770 77 L CB -0.403 41.643 42.059 -0.022 0.000 0.914 77 L HN 0.363 nan 8.230 nan 0.000 0.439 78 L N -0.852 120.342 121.223 -0.047 0.000 2.017 78 L HA -0.207 4.133 4.340 0.000 0.000 0.208 78 L C 2.451 179.298 176.870 -0.038 0.000 1.073 78 L CA 1.026 55.846 54.840 -0.033 0.000 0.745 78 L CB -0.208 41.830 42.059 -0.035 0.000 0.894 78 L HN 0.028 nan 8.230 nan 0.000 0.432 79 V N -0.575 119.306 119.914 -0.055 0.000 2.427 79 V HA -0.270 3.850 4.120 0.000 0.000 0.248 79 V C 2.003 178.076 176.094 -0.034 0.000 1.051 79 V CA 1.693 63.966 62.300 -0.046 0.000 1.048 79 V CB -0.526 31.266 31.823 -0.053 0.000 0.666 79 V HN 0.431 nan 8.190 nan 0.000 0.456 80 D N 0.933 121.314 120.400 -0.032 0.000 2.092 80 D HA -0.131 4.509 4.640 0.000 0.000 0.193 80 D C 2.244 178.532 176.300 -0.020 0.000 0.994 80 D CA 1.749 55.734 54.000 -0.024 0.000 0.828 80 D CB -0.761 40.026 40.800 -0.022 0.000 0.963 80 D HN 0.421 nan 8.370 nan 0.000 0.450 81 G N 0.520 109.309 108.800 -0.017 0.000 2.446 81 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 81 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 81 G C 1.718 176.608 174.900 -0.016 0.000 1.168 81 G CA 0.538 45.631 45.100 -0.012 0.000 0.771 81 G HN 0.270 nan 8.290 nan 0.000 0.551 82 L N -0.288 120.923 121.223 -0.020 0.000 2.141 82 L HA -0.068 4.272 4.340 0.000 0.000 0.209 82 L C 3.019 179.870 176.870 -0.031 0.000 1.094 82 L CA 0.949 55.773 54.840 -0.026 0.000 0.763 82 L CB -0.289 41.753 42.059 -0.029 0.000 0.908 82 L HN 0.264 nan 8.230 nan 0.000 0.437 83 Q N -0.280 119.504 119.800 -0.027 0.000 2.311 83 Q HA 0.069 4.409 4.340 0.000 0.000 0.203 83 Q C 0.933 176.918 176.000 -0.025 0.000 0.954 83 Q CA 0.500 56.287 55.803 -0.026 0.000 0.885 83 Q CB 0.156 28.881 28.738 -0.022 0.000 0.963 83 Q HN 0.531 nan 8.270 nan 0.000 0.471 91 T N 6.391 121.034 114.554 0.149 0.000 2.885 91 T HA 0.481 4.831 4.350 0.000 0.000 0.322 91 T C 0.307 175.076 174.700 0.115 0.000 1.387 91 T CA -0.465 61.701 62.100 0.110 0.000 1.041 91 T CB 1.350 70.269 68.868 0.086 0.000 1.287 91 T HN 0.545 nan 8.240 nan 0.000 0.491 92 I N -0.354 120.251 120.570 0.057 0.000 3.812 92 I HA 0.473 4.643 4.170 0.000 0.000 0.320 92 I C -0.195 175.935 176.117 0.021 0.000 1.276 92 I CA -0.347 60.977 61.300 0.040 0.000 1.164 92 I CB -0.049 37.959 38.000 0.012 0.000 1.009 92 I HN 0.264 nan 8.210 nan 0.000 0.431 93 D N 2.332 122.738 120.400 0.010 0.000 2.389 93 D HA 0.303 4.943 4.640 0.000 0.000 0.247 93 D C -0.207 176.033 176.300 -0.100 0.000 1.128 93 D CA 0.285 54.265 54.000 -0.034 0.000 0.884 93 D CB 2.203 42.979 40.800 -0.040 0.000 1.194 93 D HN -0.024 nan 8.370 nan 0.000 0.441 94 V N 1.453 121.271 119.914 -0.161 0.000 2.495 94 V HA 0.602 4.722 4.120 0.000 0.000 0.298 94 V C 0.180 175.992 176.094 -0.469 0.000 1.031 94 V CA -1.142 60.944 62.300 -0.357 0.000 0.871 94 V CB 1.698 33.224 31.823 -0.495 0.000 0.988 94 V HN 0.646 nan 8.190 nan 0.000 0.432 95 A N 4.414 126.971 122.820 -0.438 0.000 2.309 95 A HA 0.704 5.024 4.320 0.000 0.000 0.290 95 A C -1.092 176.217 177.584 -0.459 0.000 1.206 95 A CA -0.124 51.717 52.037 -0.326 0.000 0.850 95 A CB -0.117 18.765 19.000 -0.197 0.000 1.118 95 A HN 0.696 nan 8.150 nan 0.000 0.523 96 Y N 2.112 122.367 120.300 -0.076 0.000 2.331 96 Y HA 0.565 5.115 4.550 0.000 0.000 0.338 96 Y C 0.526 176.276 175.900 -0.249 0.000 0.976 96 Y CA -0.336 57.647 58.100 -0.195 0.000 1.137 96 Y CB 1.436 39.806 38.460 -0.151 0.000 1.172 96 Y HN 0.695 nan 8.280 nan 0.000 0.478 97 R N 2.076 122.435 120.500 -0.236 0.000 2.664 97 R HA 0.572 4.912 4.340 0.000 0.000 0.286 97 R C -1.795 174.315 176.300 -0.317 0.000 0.967 97 R CA -1.105 54.915 56.100 -0.134 0.000 0.933 97 R CB 1.032 31.307 30.300 -0.042 0.000 1.146 97 R HN 0.534 nan 8.270 nan 0.000 0.468 98 Y N 2.968 123.379 120.300 0.185 0.000 2.391 98 Y HA 0.554 5.104 4.550 0.000 0.000 0.341 98 Y C -0.522 175.582 175.900 0.339 0.000 0.965 98 Y CA -0.854 57.367 58.100 0.201 0.000 1.067 98 Y CB 1.459 39.986 38.460 0.111 0.000 1.199 98 Y HN 0.583 nan 8.280 nan 0.000 0.450 99 F N -0.140 119.975 119.950 0.276 0.000 2.741 99 F HA 0.873 5.400 4.527 0.000 0.000 0.313 99 F C -1.205 174.798 175.800 0.339 0.000 1.153 99 F CA -0.988 57.165 58.000 0.256 0.000 0.931 99 F CB 1.531 40.652 39.000 0.202 0.000 1.335 99 F HN 0.374 nan 8.300 nan 0.000 0.460 100 S N 0.040 115.865 115.700 0.208 0.000 2.638 100 S HA 0.875 5.345 4.470 0.000 0.000 0.274 100 S C -0.853 173.920 174.600 0.289 0.000 1.157 100 S CA -0.035 58.236 58.200 0.119 0.000 0.826 100 S CB 1.606 64.865 63.200 0.098 0.000 1.139 100 S HN 1.423 nan 8.310 nan 0.000 0.474 101 T N -2.299 112.395 114.554 0.233 0.000 2.718 101 T HA 0.793 5.143 4.350 0.000 0.000 0.267 101 T C 1.302 176.050 174.700 0.081 0.000 0.957 101 T CA -0.286 61.948 62.100 0.223 0.000 1.025 101 T CB 0.713 69.728 68.868 0.244 0.000 1.355 101 T HN 1.258 nan 8.240 nan 0.000 0.572 102 A N 0.148 122.936 122.820 -0.053 0.000 2.014 102 A HA 0.109 4.430 4.320 0.000 0.000 0.218 102 A C 2.239 179.656 177.584 -0.279 0.000 1.163 102 A CA 0.679 52.468 52.037 -0.412 0.000 0.652 102 A CB -0.650 18.192 19.000 -0.264 0.000 0.808 102 A HN 0.695 nan 8.150 nan 0.000 0.449 103 K N -0.140 120.188 120.400 -0.119 0.000 2.005 103 K HA 0.005 4.325 4.320 0.000 0.000 0.206 103 K C 0.862 177.373 176.600 -0.149 0.000 1.044 103 K CA 1.186 57.415 56.287 -0.098 0.000 0.942 103 K CB -0.085 32.401 32.500 -0.023 0.000 0.727 103 K HN 0.760 nan 8.250 nan 0.000 0.439 104 R N 0.301 120.675 120.500 -0.209 0.000 2.781 104 R HA 0.387 4.727 4.340 0.000 0.000 0.269 104 R C -1.010 174.944 176.300 -0.577 0.000 1.025 104 R CA -0.966 54.893 56.100 -0.401 0.000 0.914 104 R CB 1.458 31.455 30.300 -0.505 0.000 1.236 104 R HN -0.217 nan 8.270 nan 0.000 0.465 105 K N 1.234 121.302 120.400 -0.552 0.000 2.143 105 K HA 0.362 4.682 4.320 0.000 0.000 0.272 105 K C -1.517 174.670 176.600 -0.688 0.000 1.001 105 K CA -0.455 55.565 56.287 -0.445 0.000 0.915 105 K CB 0.773 33.157 32.500 -0.193 0.000 1.047 105 K HN 0.472 nan 8.250 nan 0.000 0.458 106 F N 4.372 124.160 119.950 -0.270 0.000 2.529 106 F HA 0.456 4.983 4.527 0.000 0.000 0.320 106 F C -0.161 175.506 175.800 -0.222 0.000 1.118 106 F CA -0.920 56.910 58.000 -0.283 0.000 0.915 106 F CB 1.587 40.195 39.000 -0.653 0.000 1.161 106 F HN 0.229 nan 8.300 nan 0.000 0.445 107 I N 4.890 125.438 120.570 -0.036 0.000 2.382 107 I HA 0.387 4.557 4.170 0.000 0.000 0.286 107 I C -0.661 175.217 176.117 -0.399 0.000 1.002 107 I CA -0.579 60.568 61.300 -0.256 0.000 1.135 107 I CB 1.515 39.369 38.000 -0.243 0.000 1.288 107 I HN 0.431 nan 8.210 nan 0.000 0.448 108 I N 5.747 126.047 120.570 -0.449 0.000 2.325 108 I HA 0.390 4.560 4.170 0.000 0.000 0.291 108 I C 0.596 176.539 176.117 -0.289 0.000 1.019 108 I CA -0.323 60.624 61.300 -0.589 0.000 1.302 108 I CB 1.349 39.100 38.000 -0.414 0.000 1.401 108 I HN 0.593 nan 8.210 nan 0.000 0.485 109 A N 4.966 127.648 122.820 -0.231 0.000 2.316 109 A HA 0.347 4.667 4.320 0.000 0.000 0.311 109 A C -0.566 176.883 177.584 -0.225 0.000 1.339 109 A CA -0.352 51.571 52.037 -0.190 0.000 0.960 109 A CB 0.095 19.076 19.000 -0.031 0.000 1.152 109 A HN 0.679 nan 8.150 nan 0.000 0.547 110 D N 1.531 121.762 120.400 -0.282 0.000 2.217 110 D HA 0.612 5.252 4.640 0.000 0.000 0.243 110 D C -0.387 175.771 176.300 -0.238 0.000 1.054 110 D CA 0.365 54.239 54.000 -0.211 0.000 0.838 110 D CB 1.435 42.132 40.800 -0.172 0.000 1.162 110 D HN 0.407 nan 8.370 nan 0.000 0.472 111 T N 2.591 117.029 114.554 -0.194 0.000 2.923 111 T HA 0.593 4.943 4.350 0.000 0.000 0.311 111 T C -2.846 171.741 174.700 -0.188 0.000 1.183 111 T CA -1.729 60.252 62.100 -0.200 0.000 1.020 111 T CB 1.389 70.161 68.868 -0.160 0.000 1.165 111 T HN 0.103 nan 8.240 nan 0.000 0.482 112 P HA 0.297 nan 4.420 nan 0.000 0.272 112 P C 0.734 178.025 177.300 -0.016 0.000 1.223 112 P CA -0.137 62.842 63.100 -0.202 0.000 0.784 112 P CB 0.412 31.800 31.700 -0.519 0.000 0.923 113 G N -0.121 108.731 108.800 0.088 0.000 2.985 113 G HA2 -0.072 3.888 3.960 0.000 0.000 0.209 113 G HA3 -0.072 3.888 3.960 0.000 0.000 0.209 113 G C 0.491 175.612 174.900 0.369 0.000 1.165 113 G CA 0.314 45.554 45.100 0.233 0.000 0.776 113 G HN 0.576 nan 8.290 nan 0.000 0.541 114 H N 0.973 120.204 119.070 0.269 0.000 2.732 114 H HA 0.092 4.648 4.556 0.000 0.000 0.351 114 H C 1.297 176.741 175.328 0.193 0.000 1.090 114 H CA 0.219 56.404 56.048 0.228 0.000 1.431 114 H CB 1.152 31.067 29.762 0.256 0.000 1.447 114 H HN 0.163 nan 8.280 nan 0.000 0.582 115 E N 2.475 122.586 120.200 -0.148 0.000 2.169 115 E HA -0.289 4.061 4.350 0.000 0.000 0.202 115 E C 1.963 178.619 176.600 0.094 0.000 1.016 115 E CA 1.603 57.989 56.400 -0.024 0.000 0.817 115 E CB -0.107 29.506 29.700 -0.145 0.000 0.736 115 E HN 0.677 nan 8.360 nan 0.000 0.462 116 Q N -0.449 119.484 119.800 0.221 0.000 2.297 116 Q HA -0.167 4.173 4.340 0.000 0.000 0.208 116 Q C 0.229 176.032 176.000 -0.329 0.000 0.981 116 Q CA 1.043 56.776 55.803 -0.116 0.000 0.876 116 Q CB 0.105 28.634 28.738 -0.348 0.000 0.921 116 Q HN 0.452 nan 8.270 nan 0.000 0.446 117 Y N -1.019 119.360 120.300 0.130 0.000 2.774 117 Y HA 0.216 4.766 4.550 0.000 0.000 0.305 117 Y C 1.440 177.370 175.900 0.050 0.000 1.067 117 Y CA -0.178 57.960 58.100 0.063 0.000 1.304 117 Y CB 0.360 38.846 38.460 0.043 0.000 1.209 117 Y HN -0.022 nan 8.280 nan 0.000 0.543 118 T N 0.098 114.736 114.554 0.139 0.000 2.737 118 T HA -0.168 4.182 4.350 0.000 0.000 0.265 118 T C 2.178 176.924 174.700 0.077 0.000 1.038 118 T CA 1.778 63.946 62.100 0.114 0.000 1.144 118 T CB -0.002 68.925 68.868 0.099 0.000 0.866 118 T HN 0.557 nan 8.240 nan 0.000 0.434 119 R N 1.819 122.351 120.500 0.053 0.000 2.091 119 R HA -0.029 4.311 4.340 0.000 0.000 0.238 119 R C 1.157 177.471 176.300 0.022 0.000 1.136 119 R CA 1.058 57.167 56.100 0.016 0.000 0.959 119 R CB -0.786 29.506 30.300 -0.015 0.000 0.856 119 R HN 0.370 nan 8.270 nan 0.000 0.437 123 T N 0.756 115.306 114.554 -0.006 0.000 2.665 123 T HA -0.070 4.280 4.350 0.000 0.000 0.268 123 T C 1.912 176.644 174.700 0.053 0.000 1.035 123 T CA 2.486 64.594 62.100 0.013 0.000 1.151 123 T CB -0.655 68.222 68.868 0.014 0.000 0.862 123 T HN 0.814 nan 8.240 nan 0.000 0.438 124 G N 0.898 109.718 108.800 0.034 0.000 2.418 124 G HA2 -0.019 3.941 3.960 0.000 0.000 0.217 124 G HA3 -0.019 3.941 3.960 0.000 0.000 0.217 124 G C 1.805 176.750 174.900 0.075 0.000 1.158 124 G CA 0.829 45.963 45.100 0.058 0.000 0.771 124 G HN 0.596 nan 8.290 nan 0.000 0.545 125 A N 1.267 124.113 122.820 0.044 0.000 2.067 125 A HA 0.023 4.343 4.320 0.000 0.000 0.219 125 A C 2.669 180.297 177.584 0.073 0.000 1.158 125 A CA 2.207 54.278 52.037 0.057 0.000 0.661 125 A CB -0.565 18.457 19.000 0.037 0.000 0.801 125 A HN 0.675 nan 8.150 nan 0.000 0.452 126 S N -0.169 115.569 115.700 0.064 0.000 2.399 126 S HA -0.156 4.315 4.470 0.000 0.000 0.231 126 S C 1.700 176.354 174.600 0.089 0.000 1.022 126 S CA 1.859 60.106 58.200 0.077 0.000 0.983 126 S CB -1.036 62.189 63.200 0.041 0.000 0.803 126 S HN 0.788 nan 8.310 nan 0.000 0.480 127 T N -2.179 112.422 114.554 0.077 0.000 3.040 127 T HA 0.335 4.685 4.350 0.000 0.000 0.250 127 T C 0.712 175.455 174.700 0.071 0.000 1.058 127 T CA -0.291 61.845 62.100 0.059 0.000 0.988 127 T CB -0.895 67.989 68.868 0.027 0.000 0.993 127 T HN 0.362 nan 8.240 nan 0.000 0.519 128 C N 2.843 122.200 119.300 0.095 0.000 2.605 128 C HA 0.302 4.762 4.460 0.000 0.000 0.404 128 C C 1.537 176.610 174.990 0.138 0.000 1.284 128 C CA -0.490 58.600 59.018 0.120 0.000 2.199 128 C CB 0.483 28.303 27.740 0.134 0.000 2.647 128 C HN 0.521 nan 8.230 nan 0.000 0.604 129 D N 0.307 120.813 120.400 0.177 0.000 2.301 129 D HA 0.135 4.775 4.640 0.000 0.000 0.206 129 D C 0.087 176.563 176.300 0.292 0.000 0.979 129 D CA 0.769 54.900 54.000 0.219 0.000 0.874 129 D CB 0.454 41.381 40.800 0.212 0.000 0.968 129 D HN 0.456 nan 8.370 nan 0.000 0.510 130 L N -0.019 121.372 121.223 0.281 0.000 2.434 130 L HA 0.602 4.942 4.340 0.000 0.000 0.260 130 L C -2.012 175.018 176.870 0.265 0.000 0.983 130 L CA -0.654 54.355 54.840 0.280 0.000 0.820 130 L CB 2.309 44.510 42.059 0.237 0.000 1.361 130 L HN -0.194 nan 8.230 nan 0.000 0.410 131 A N 4.640 127.592 122.820 0.220 0.000 2.343 131 A HA 0.713 5.033 4.320 0.000 0.000 0.316 131 A C -0.967 176.711 177.584 0.157 0.000 1.104 131 A CA -0.482 51.677 52.037 0.203 0.000 0.768 131 A CB 1.008 20.122 19.000 0.190 0.000 1.213 131 A HN 0.644 nan 8.150 nan 0.000 0.456 132 I N 4.032 124.697 120.570 0.158 0.000 2.287 132 I HA 0.165 4.335 4.170 0.000 0.000 0.290 132 I C -0.504 175.673 176.117 0.101 0.000 1.069 132 I CA -0.301 61.055 61.300 0.094 0.000 1.237 132 I CB 0.602 38.653 38.000 0.086 0.000 1.418 132 I HN 0.416 nan 8.210 nan 0.000 0.481 133 I N 7.453 128.075 120.570 0.088 0.000 2.308 133 I HA 0.137 4.307 4.170 0.000 0.000 0.293 133 I C -0.097 176.069 176.117 0.081 0.000 1.078 133 I CA -0.417 60.956 61.300 0.122 0.000 1.292 133 I CB 0.713 38.812 38.000 0.164 0.000 1.423 133 I HN 0.376 nan 8.210 nan 0.000 0.493 134 L N 9.422 130.707 121.223 0.104 0.000 2.265 134 L HA 0.436 4.776 4.340 0.000 0.000 0.288 134 L C -0.062 176.858 176.870 0.084 0.000 1.058 134 L CA -0.182 54.705 54.840 0.078 0.000 0.809 134 L CB 1.237 43.339 42.059 0.071 0.000 1.179 134 L HN 0.420 nan 8.230 nan 0.000 0.429 135 V N 1.798 121.755 119.914 0.072 0.000 2.715 135 V HA 0.582 4.702 4.120 0.000 0.000 0.310 135 V C -0.478 175.665 176.094 0.083 0.000 1.054 135 V CA -0.853 61.495 62.300 0.079 0.000 0.928 135 V CB 1.809 33.683 31.823 0.084 0.000 1.007 135 V HN 0.746 nan 8.190 nan 0.000 0.437 136 D N 2.863 123.329 120.400 0.111 0.000 2.312 136 D HA 0.444 5.084 4.640 0.000 0.000 0.252 136 D C 1.092 177.470 176.300 0.130 0.000 1.150 136 D CA 0.497 54.586 54.000 0.148 0.000 0.870 136 D CB 2.143 43.112 40.800 0.282 0.000 1.153 136 D HN 0.882 nan 8.370 nan 0.000 0.457 137 A N 4.832 127.689 122.820 0.063 0.000 2.019 137 A HA -0.195 4.125 4.320 0.000 0.000 0.219 137 A C 1.982 179.553 177.584 -0.021 0.000 1.164 137 A CA 1.220 53.268 52.037 0.019 0.000 0.644 137 A CB -0.068 18.919 19.000 -0.023 0.000 0.805 137 A HN 0.608 nan 8.150 nan 0.000 0.449 138 R N -2.099 118.362 120.500 -0.066 0.000 2.153 138 R HA 0.040 4.380 4.340 0.000 0.000 0.218 138 R C 1.407 177.516 176.300 -0.318 0.000 1.072 138 R CA 1.299 57.256 56.100 -0.237 0.000 0.990 138 R CB -0.330 29.736 30.300 -0.390 0.000 0.889 138 R HN 0.702 nan 8.270 nan 0.000 0.452 139 Y N -0.715 119.579 120.300 -0.011 0.000 2.479 139 Y HA 0.311 4.861 4.550 0.000 0.000 0.283 139 Y C 1.642 177.535 175.900 -0.012 0.000 1.109 139 Y CA 0.377 58.470 58.100 -0.012 0.000 1.239 139 Y CB 0.108 38.562 38.460 -0.011 0.000 1.108 139 Y HN 0.185 nan 8.280 nan 0.000 0.548 140 G N 0.638 109.518 108.800 0.134 0.000 2.569 140 G HA2 -0.298 3.662 3.960 0.000 0.000 0.259 140 G HA3 -0.298 3.662 3.960 0.000 0.000 0.259 140 G C -0.553 174.398 174.900 0.085 0.000 1.263 140 G CA -0.438 44.711 45.100 0.081 0.000 0.928 140 G HN 0.051 nan 8.290 nan 0.000 0.572 141 V N 2.814 122.769 119.914 0.067 0.000 2.450 141 V HA 0.322 4.442 4.120 0.000 0.000 0.281 141 V C 0.778 176.857 176.094 -0.025 0.000 1.019 141 V CA 0.567 62.891 62.300 0.041 0.000 1.062 141 V CB 0.926 32.776 31.823 0.044 0.000 0.979 141 V HN 0.668 nan 8.190 nan 0.000 0.477 142 Q N 2.562 122.327 119.800 -0.059 0.000 2.576 142 Q HA 0.366 4.706 4.340 0.000 0.000 0.249 142 Q C 1.543 177.441 176.000 -0.170 0.000 1.041 142 Q CA 0.100 55.847 55.803 -0.093 0.000 0.928 142 Q CB 1.146 29.835 28.738 -0.082 0.000 1.302 142 Q HN 0.827 nan 8.270 nan 0.000 0.504 143 T N -1.800 112.655 114.554 -0.164 0.000 2.788 143 T HA -0.191 4.159 4.350 0.000 0.000 0.268 143 T C 1.547 176.100 174.700 -0.245 0.000 1.044 143 T CA 1.614 63.598 62.100 -0.192 0.000 1.139 143 T CB -0.044 68.734 68.868 -0.150 0.000 0.867 143 T HN 0.547 nan 8.240 nan 0.000 0.454 144 Q N 1.246 120.882 119.800 -0.273 0.000 2.167 144 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 144 Q C 2.048 177.707 176.000 -0.569 0.000 0.970 144 Q CA 1.881 57.399 55.803 -0.475 0.000 0.855 144 Q CB -1.524 26.973 28.738 -0.402 0.000 0.911 144 Q HN 0.574 nan 8.270 nan 0.000 0.438 145 T N 1.637 116.026 114.554 -0.275 0.000 2.708 145 T HA -0.098 4.252 4.350 0.000 0.000 0.266 145 T C 1.953 176.574 174.700 -0.132 0.000 1.037 145 T CA 1.650 63.688 62.100 -0.105 0.000 1.146 145 T CB -0.150 68.707 68.868 -0.017 0.000 0.865 145 T HN 0.377 nan 8.240 nan 0.000 0.435 146 R N 0.517 120.798 120.500 -0.364 0.000 2.081 146 R HA 0.047 4.387 4.340 0.000 0.000 0.235 146 R C 2.753 179.030 176.300 -0.038 0.000 1.131 146 R CA 1.149 56.927 56.100 -0.536 0.000 0.960 146 R CB -0.222 29.664 30.300 -0.689 0.000 0.856 146 R HN 0.277 nan 8.270 nan 0.000 0.436 147 R N 0.005 120.448 120.500 -0.095 0.000 2.066 147 R HA -0.139 4.201 4.340 0.000 0.000 0.232 147 R C 2.037 178.455 176.300 0.198 0.000 1.131 147 R CA 1.520 57.635 56.100 0.025 0.000 0.955 147 R CB -0.116 30.143 30.300 -0.069 0.000 0.851 147 R HN 0.323 nan 8.270 nan 0.000 0.432 148 H N -0.267 118.867 119.070 0.108 0.000 2.387 148 H HA -0.003 4.553 4.556 0.000 0.000 0.299 148 H C 2.282 177.698 175.328 0.146 0.000 1.090 148 H CA 1.620 57.740 56.048 0.119 0.000 1.332 148 H CB -0.383 29.444 29.762 0.108 0.000 1.386 148 H HN 0.175 nan 8.280 nan 0.000 0.516 149 S N 0.247 116.143 115.700 0.326 0.000 2.368 149 S HA -0.178 4.292 4.470 0.000 0.000 0.225 149 S C 2.030 176.640 174.600 0.017 0.000 1.030 149 S CA 1.159 59.529 58.200 0.284 0.000 0.999 149 S CB -0.450 63.079 63.200 0.549 0.000 0.844 149 S HN 0.498 nan 8.310 nan 0.000 0.459 150 Y N 2.202 122.508 120.300 0.011 0.000 2.145 150 Y HA -0.153 4.397 4.550 0.000 0.000 0.286 150 Y C 1.905 177.758 175.900 -0.078 0.000 1.145 150 Y CA 1.327 59.377 58.100 -0.084 0.000 1.148 150 Y CB -0.505 37.968 38.460 0.020 0.000 0.981 150 Y HN 0.167 nan 8.280 nan 0.000 0.507 151 I N 0.275 120.873 120.570 0.047 0.000 2.163 151 I HA -0.370 3.800 4.170 0.000 0.000 0.243 151 I C 2.725 178.790 176.117 -0.087 0.000 1.085 151 I CA 1.389 62.674 61.300 -0.026 0.000 1.347 151 I CB -0.897 37.167 38.000 0.106 0.000 1.044 151 I HN 0.350 nan 8.210 nan 0.000 0.408 152 A N -0.250 122.553 122.820 -0.027 0.000 1.883 152 A HA -0.277 4.043 4.320 0.000 0.000 0.217 152 A C 2.509 180.050 177.584 -0.070 0.000 1.186 152 A CA 2.453 54.490 52.037 0.001 0.000 0.624 152 A CB -0.955 18.103 19.000 0.096 0.000 0.822 152 A HN 0.413 nan 8.150 nan 0.000 0.444 153 S N -0.959 114.575 115.700 -0.276 0.000 2.368 153 S HA -0.130 4.340 4.470 0.000 0.000 0.224 153 S C 1.929 176.389 174.600 -0.233 0.000 1.029 153 S CA 1.439 59.430 58.200 -0.348 0.000 0.988 153 S CB -0.461 62.206 63.200 -0.888 0.000 0.838 153 S HN 0.449 nan 8.310 nan 0.000 0.462 154 L N 1.467 122.460 121.223 -0.383 0.000 2.079 154 L HA 0.096 4.436 4.340 0.000 0.000 0.210 154 L C 1.633 178.438 176.870 -0.108 0.000 1.081 154 L CA 1.743 56.380 54.840 -0.339 0.000 0.752 154 L CB -0.420 41.307 42.059 -0.554 0.000 0.896 154 L HN 0.395 nan 8.230 nan 0.000 0.433 155 L N -0.690 120.504 121.223 -0.048 0.000 2.629 155 L HA 0.287 4.627 4.340 0.000 0.000 0.230 155 L C 1.233 178.260 176.870 0.261 0.000 1.151 155 L CA 0.403 55.295 54.840 0.087 0.000 0.924 155 L CB -0.768 41.309 42.059 0.029 0.000 1.137 155 L HN 0.493 nan 8.230 nan 0.000 0.457 156 G N 1.071 109.991 108.800 0.200 0.000 2.160 156 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 156 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 156 G C 0.176 175.107 174.900 0.053 0.000 1.022 156 G CA -0.345 44.815 45.100 0.100 0.000 0.741 156 G HN 0.325 nan 8.290 nan 0.000 0.508 157 I N 0.007 120.628 120.570 0.085 0.000 2.436 157 I HA 0.158 4.328 4.170 0.000 0.000 0.289 157 I C 1.382 177.541 176.117 0.071 0.000 1.083 157 I CA 0.086 61.445 61.300 0.098 0.000 1.372 157 I CB 1.023 39.107 38.000 0.140 0.000 1.408 157 I HN 0.029 nan 8.210 nan 0.000 0.516 158 K N 4.377 124.736 120.400 -0.068 0.000 2.444 158 K HA 0.135 4.455 4.320 0.000 0.000 0.193 158 K C -0.348 175.926 176.600 -0.543 0.000 1.024 158 K CA 0.529 56.634 56.287 -0.303 0.000 1.077 158 K CB 0.109 32.340 32.500 -0.448 0.000 0.833 158 K HN 0.479 nan 8.250 nan 0.000 0.517 159 H N 0.143 119.268 119.070 0.093 0.000 2.924 159 H HA 0.269 4.825 4.556 0.000 0.000 0.333 159 H C -0.958 174.416 175.328 0.076 0.000 0.979 159 H CA -1.370 54.714 56.048 0.059 0.000 1.326 159 H CB 1.076 30.870 29.762 0.052 0.000 1.600 159 H HN -0.010 nan 8.280 nan 0.000 0.520 160 I N 0.404 121.051 120.570 0.128 0.000 2.569 160 I HA 0.584 4.754 4.170 0.000 0.000 0.296 160 I C -0.819 175.274 176.117 -0.040 0.000 1.028 160 I CA -0.977 60.380 61.300 0.095 0.000 1.082 160 I CB 2.297 40.415 38.000 0.196 0.000 1.264 160 I HN 0.254 nan 8.210 nan 0.000 0.429 161 V N 6.987 126.870 119.914 -0.051 0.000 2.407 161 V HA 0.536 4.656 4.120 0.000 0.000 0.291 161 V C -0.678 175.323 176.094 -0.156 0.000 1.018 161 V CA -0.527 61.692 62.300 -0.134 0.000 0.842 161 V CB 1.720 33.496 31.823 -0.078 0.000 0.996 161 V HN 0.698 nan 8.190 nan 0.000 0.426 162 V N 7.594 127.321 119.914 -0.312 0.000 2.387 162 V HA 0.459 4.579 4.120 0.000 0.000 0.260 162 V C 0.995 177.058 176.094 -0.051 0.000 1.054 162 V CA 0.383 62.533 62.300 -0.250 0.000 0.967 162 V CB 0.847 32.407 31.823 -0.439 0.000 1.036 162 V HN 1.084 nan 8.190 nan 0.000 0.481 163 A N 7.270 130.085 122.820 -0.009 0.000 2.506 163 A HA 0.582 4.902 4.320 0.000 0.000 0.320 163 A C 0.052 177.671 177.584 0.057 0.000 1.424 163 A CA -0.375 51.681 52.037 0.031 0.000 1.044 163 A CB -0.371 18.640 19.000 0.018 0.000 1.140 163 A HN 0.820 nan 8.150 nan 0.000 0.538 164 I N 3.634 124.266 120.570 0.102 0.000 2.311 164 I HA 0.050 4.220 4.170 0.000 0.000 0.297 164 I C 0.812 176.965 176.117 0.061 0.000 1.131 164 I CA 0.060 61.426 61.300 0.110 0.000 1.289 164 I CB -0.217 37.901 38.000 0.197 0.000 1.446 164 I HN 0.707 nan 8.210 nan 0.000 0.524 165 N N 6.378 125.100 118.700 0.037 0.000 2.458 165 N HA 0.311 5.051 4.740 0.000 0.000 0.271 165 N C -0.431 175.068 175.510 -0.018 0.000 1.210 165 N CA -0.414 52.640 53.050 0.008 0.000 0.978 165 N CB 0.883 39.382 38.487 0.022 0.000 1.206 165 N HN 0.460 nan 8.380 nan 0.000 0.536 169 L N 1.380 122.561 121.223 -0.070 0.000 2.156 169 L HA -0.024 4.316 4.340 0.000 0.000 0.208 169 L C 1.766 178.615 176.870 -0.034 0.000 1.095 169 L CA 2.058 56.877 54.840 -0.035 0.000 0.770 169 L CB -0.557 41.480 42.059 -0.037 0.000 0.914 169 L HN 0.153 nan 8.230 nan 0.000 0.439 170 N N -0.265 118.395 118.700 -0.066 0.000 2.322 170 N HA 0.066 4.806 4.740 0.000 0.000 0.194 170 N C 1.079 176.595 175.510 0.010 0.000 1.126 170 N CA 0.626 53.652 53.050 -0.041 0.000 0.845 170 N CB 0.309 38.760 38.487 -0.060 0.000 0.976 170 N HN 0.166 nan 8.380 nan 0.000 0.475 171 G N -0.353 108.480 108.800 0.055 0.000 2.176 171 G HA2 -0.311 3.649 3.960 0.000 0.000 0.252 171 G HA3 -0.311 3.649 3.960 0.000 0.000 0.252 171 G C 0.038 175.130 174.900 0.320 0.000 1.024 171 G CA -0.149 45.053 45.100 0.169 0.000 0.755 171 G HN 0.347 nan 8.290 nan 0.000 0.507 172 F N -0.862 119.167 119.950 0.131 0.000 3.027 172 F HA -0.167 4.360 4.527 0.000 0.000 0.276 172 F C 0.937 176.896 175.800 0.265 0.000 0.967 172 F CA 0.789 58.949 58.000 0.266 0.000 0.929 172 F CB -1.305 37.865 39.000 0.284 0.000 0.873 172 F HN 0.402 nan 8.300 nan 0.000 0.787 173 D N 1.353 121.838 120.400 0.140 0.000 2.389 173 D HA -0.027 4.613 4.640 0.000 0.000 0.263 173 D C 1.409 177.561 176.300 -0.245 0.000 1.255 173 D CA 0.517 54.493 54.000 -0.040 0.000 0.914 173 D CB 0.631 41.405 40.800 -0.043 0.000 1.116 173 D HN 0.659 nan 8.370 nan 0.000 0.502 174 E N 4.038 123.839 120.200 -0.665 0.000 2.110 174 E HA -0.215 4.135 4.350 0.000 0.000 0.193 174 E C 1.460 177.793 176.600 -0.445 0.000 0.988 174 E CA 0.669 56.376 56.400 -1.156 0.000 0.804 174 E CB 0.316 29.143 29.700 -1.455 0.000 0.745 174 E HN 0.387 nan 8.360 nan 0.000 0.458 175 R N 0.229 120.561 120.500 -0.279 0.000 2.091 175 R HA -0.135 4.205 4.340 0.000 0.000 0.238 175 R C 2.446 178.684 176.300 -0.103 0.000 1.136 175 R CA 1.265 57.273 56.100 -0.153 0.000 0.959 175 R CB -0.962 29.269 30.300 -0.115 0.000 0.856 175 R HN 0.195 nan 8.270 nan 0.000 0.437 176 V N 1.207 121.071 119.914 -0.084 0.000 2.295 176 V HA -0.245 3.875 4.120 0.000 0.000 0.246 176 V C 2.151 178.243 176.094 -0.004 0.000 1.049 176 V CA 1.834 64.108 62.300 -0.042 0.000 1.024 176 V CB -0.692 31.113 31.823 -0.031 0.000 0.648 176 V HN 0.133 nan 8.190 nan 0.000 0.447 177 F N 1.312 121.189 119.950 -0.122 0.000 2.095 177 F HA -0.189 4.338 4.527 0.000 0.000 0.298 177 F C 2.520 178.272 175.800 -0.080 0.000 1.104 177 F CA 2.035 60.002 58.000 -0.055 0.000 1.232 177 F CB -0.232 38.784 39.000 0.027 0.000 0.987 177 F HN 0.134 nan 8.300 nan 0.000 0.475 178 E N -0.275 119.869 120.200 -0.093 0.000 2.150 178 E HA -0.189 4.161 4.350 0.000 0.000 0.193 178 E C 2.449 178.922 176.600 -0.212 0.000 0.985 178 E CA 1.154 57.444 56.400 -0.183 0.000 0.814 178 E CB -0.798 28.863 29.700 -0.066 0.000 0.752 178 E HN 0.432 nan 8.360 nan 0.000 0.466 179 S N 0.579 116.190 115.700 -0.149 0.000 2.356 179 S HA -0.110 4.360 4.470 0.000 0.000 0.223 179 S C 2.079 176.601 174.600 -0.130 0.000 1.032 179 S CA 0.853 58.984 58.200 -0.115 0.000 1.005 179 S CB -0.141 63.013 63.200 -0.078 0.000 0.867 179 S HN 0.175 nan 8.310 nan 0.000 0.449 180 I N 1.189 121.662 120.570 -0.162 0.000 2.353 180 I HA -0.104 4.066 4.170 0.000 0.000 0.248 180 I C 2.589 178.589 176.117 -0.195 0.000 1.119 180 I CA 1.257 62.482 61.300 -0.124 0.000 1.417 180 I CB -0.340 37.608 38.000 -0.087 0.000 1.078 180 I HN 0.350 nan 8.210 nan 0.000 0.421 181 K N 1.728 121.830 120.400 -0.496 0.000 2.026 181 K HA -0.198 4.122 4.320 0.000 0.000 0.208 181 K C 2.215 178.509 176.600 -0.510 0.000 1.048 181 K CA 1.667 57.421 56.287 -0.889 0.000 0.929 181 K CB -0.144 31.595 32.500 -1.269 0.000 0.713 181 K HN 0.262 nan 8.250 nan 0.000 0.439 182 A N 1.908 124.544 122.820 -0.306 0.000 1.902 182 A HA -0.185 4.135 4.320 0.000 0.000 0.217 182 A C 1.809 179.371 177.584 -0.037 0.000 1.181 182 A CA 1.986 53.934 52.037 -0.148 0.000 0.623 182 A CB -0.613 18.320 19.000 -0.112 0.000 0.818 182 A HN 0.749 nan 8.150 nan 0.000 0.443 183 D N -2.349 118.046 120.400 -0.008 0.000 2.347 183 D HA -0.120 4.520 4.640 0.000 0.000 0.213 183 D C 1.537 177.926 176.300 0.148 0.000 0.985 183 D CA 0.657 54.690 54.000 0.054 0.000 0.879 183 D CB -0.472 40.345 40.800 0.029 0.000 0.919 183 D HN 0.545 nan 8.370 nan 0.000 0.526 184 Y N 1.136 121.489 120.300 0.088 0.000 2.243 184 Y HA 0.082 4.633 4.550 0.000 0.000 0.293 184 Y C 2.248 178.335 175.900 0.312 0.000 1.124 184 Y CA 1.015 59.270 58.100 0.258 0.000 1.159 184 Y CB -0.111 38.551 38.460 0.337 0.000 1.008 184 Y HN -0.140 nan 8.280 nan 0.000 0.527 185 L N 0.388 121.812 121.223 0.334 0.000 2.141 185 L HA -0.215 4.125 4.340 0.000 0.000 0.209 185 L C 2.550 179.478 176.870 0.097 0.000 1.094 185 L CA 1.578 56.556 54.840 0.229 0.000 0.763 185 L CB -0.440 41.703 42.059 0.140 0.000 0.908 185 L HN 0.169 nan 8.230 nan 0.000 0.437 186 K N 0.007 120.459 120.400 0.086 0.000 2.057 186 K HA -0.224 4.096 4.320 0.000 0.000 0.206 186 K C 2.210 178.850 176.600 0.067 0.000 1.050 186 K CA 1.415 57.738 56.287 0.060 0.000 0.935 186 K CB -0.134 32.400 32.500 0.057 0.000 0.715 186 K HN 0.129 nan 8.250 nan 0.000 0.439 187 F N 1.401 121.314 119.950 -0.062 0.000 2.102 187 F HA -0.113 4.414 4.527 0.000 0.000 0.298 187 F C 1.935 177.693 175.800 -0.069 0.000 1.105 187 F CA 1.498 59.441 58.000 -0.096 0.000 1.239 187 F CB -0.641 38.253 39.000 -0.177 0.000 0.991 187 F HN 0.047 nan 8.300 nan 0.000 0.474 188 A N 0.031 122.634 122.820 -0.362 0.000 1.933 188 A HA -0.244 4.076 4.320 0.000 0.000 0.218 188 A C 2.282 179.772 177.584 -0.156 0.000 1.175 188 A CA 1.779 53.646 52.037 -0.284 0.000 0.628 188 A CB -1.088 17.869 19.000 -0.073 0.000 0.814 188 A HN 0.619 nan 8.150 nan 0.000 0.444 189 E N -0.497 119.646 120.200 -0.096 0.000 2.153 189 E HA -0.115 4.235 4.350 0.000 0.000 0.194 189 E C 1.463 178.024 176.600 -0.064 0.000 0.988 189 E CA 0.849 57.220 56.400 -0.048 0.000 0.811 189 E CB -0.272 29.419 29.700 -0.016 0.000 0.746 189 E HN 0.507 nan 8.360 nan 0.000 0.466 190 G N 0.262 108.995 108.800 -0.112 0.000 3.562 190 G HA2 0.251 4.211 3.960 0.000 0.000 0.279 190 G HA3 0.251 4.211 3.960 0.000 0.000 0.279 190 G C 0.668 175.483 174.900 -0.142 0.000 1.314 190 G CA -0.213 44.830 45.100 -0.095 0.000 1.189 190 G HN 0.221 nan 8.290 nan 0.000 0.562 191 I N -1.653 118.836 120.570 -0.135 0.000 4.765 191 I HA 0.273 4.443 4.170 0.000 0.000 0.349 191 I C 1.547 177.667 176.117 0.005 0.000 1.278 191 I CA 0.090 61.337 61.300 -0.089 0.000 1.331 191 I CB 0.650 38.542 38.000 -0.181 0.000 1.570 191 I HN 0.117 nan 8.210 nan 0.000 0.538 192 A N 1.641 124.470 122.820 0.015 0.000 2.872 192 A HA -0.299 4.021 4.320 0.000 0.000 0.273 192 A C 0.423 178.081 177.584 0.123 0.000 1.442 192 A CA 0.599 52.665 52.037 0.050 0.000 0.801 192 A CB -2.625 16.402 19.000 0.044 0.000 1.031 192 A HN 0.621 nan 8.150 nan 0.000 0.582 193 F N 0.202 120.102 119.950 -0.083 0.000 2.541 193 F HA 0.429 4.956 4.527 0.000 0.000 0.347 193 F C 0.712 176.496 175.800 -0.026 0.000 1.242 193 F CA -0.284 57.676 58.000 -0.067 0.000 1.123 193 F CB -0.058 38.866 39.000 -0.127 0.000 1.354 193 F HN 0.209 nan 8.300 nan 0.000 0.621 194 K N 8.361 128.806 120.400 0.075 0.000 2.499 194 K HA 0.361 4.681 4.320 0.000 0.000 0.215 194 K C -2.538 174.021 176.600 -0.068 0.000 1.041 194 K CA -1.862 54.387 56.287 -0.064 0.000 1.031 194 K CB 0.382 32.878 32.500 -0.006 0.000 1.479 194 K HN 0.255 nan 8.250 nan 0.000 0.518 195 P HA 0.146 nan 4.420 nan 0.000 0.278 195 P C 0.376 177.604 177.300 -0.120 0.000 1.258 195 P CA -0.491 62.533 63.100 -0.127 0.000 0.811 195 P CB 1.310 32.908 31.700 -0.170 0.000 1.063 196 T N -2.765 111.709 114.554 -0.133 0.000 2.867 196 T HA -0.006 4.344 4.350 0.000 0.000 0.268 196 T C 1.019 175.734 174.700 0.026 0.000 1.057 196 T CA 1.346 63.410 62.100 -0.060 0.000 1.136 196 T CB -0.816 68.016 68.868 -0.060 0.000 0.874 196 T HN 0.739 nan 8.240 nan 0.000 0.466 200 F N 1.352 121.402 119.950 0.166 0.000 2.427 200 F HA 0.577 5.104 4.527 0.000 0.000 0.348 200 F C 0.060 176.094 175.800 0.390 0.000 1.125 200 F CA -0.709 57.408 58.000 0.194 0.000 0.989 200 F CB 2.277 41.319 39.000 0.071 0.000 1.165 200 F HN 0.321 nan 8.300 nan 0.000 0.442 201 V N 5.213 125.338 119.914 0.353 0.000 2.409 201 V HA 0.473 4.594 4.120 0.000 0.000 0.291 201 V C -2.148 173.971 176.094 0.042 0.000 1.020 201 V CA -1.828 60.526 62.300 0.091 0.000 0.848 201 V CB 1.575 33.435 31.823 0.061 0.000 0.990 201 V HN 0.467 nan 8.190 nan 0.000 0.430 205 A N 3.961 126.794 122.820 0.021 0.000 1.908 205 A HA -0.005 4.315 4.320 0.000 0.000 0.218 205 A C 1.940 179.530 177.584 0.011 0.000 1.181 205 A CA 1.845 53.889 52.037 0.011 0.000 0.627 205 A CB -0.631 18.372 19.000 0.005 0.000 0.818 205 A HN 1.050 nan 8.150 nan 0.000 0.445 206 L N -0.742 120.490 121.223 0.015 0.000 2.046 206 L HA -0.116 4.224 4.340 0.000 0.000 0.208 206 L C 1.938 178.820 176.870 0.020 0.000 1.077 206 L CA 2.109 56.956 54.840 0.012 0.000 0.747 206 L CB -0.226 41.842 42.059 0.015 0.000 0.896 206 L HN 0.180 nan 8.230 nan 0.000 0.432 207 K N -1.074 119.350 120.400 0.040 0.000 2.334 207 K HA 0.337 4.657 4.320 0.000 0.000 0.195 207 K C 1.399 178.023 176.600 0.040 0.000 1.045 207 K CA 0.805 57.120 56.287 0.047 0.000 1.004 207 K CB 0.326 32.872 32.500 0.078 0.000 0.837 207 K HN 0.467 nan 8.250 nan 0.000 0.510 208 G N 1.900 110.725 108.800 0.042 0.000 2.179 208 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 208 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 208 G C -0.358 174.561 174.900 0.031 0.000 0.990 208 G CA -0.181 44.937 45.100 0.030 0.000 0.646 208 G HN 0.255 nan 8.290 nan 0.000 0.517 209 D N 1.616 122.054 120.400 0.063 0.000 2.472 209 D HA 0.177 4.817 4.640 0.000 0.000 0.248 209 D C 1.050 177.383 176.300 0.054 0.000 1.174 209 D CA 0.593 54.629 54.000 0.059 0.000 0.883 209 D CB 0.247 41.167 40.800 0.201 0.000 1.149 209 D HN 0.284 nan 8.370 nan 0.000 0.488 210 N N 1.342 120.048 118.700 0.009 0.000 2.713 210 N HA -0.185 4.555 4.740 0.000 0.000 0.251 210 N C 1.046 176.568 175.510 0.020 0.000 1.117 210 N CA 0.455 53.518 53.050 0.022 0.000 0.770 210 N CB -1.130 37.360 38.487 0.004 0.000 1.137 210 N HN 0.258 nan 8.380 nan 0.000 0.566 211 V N -0.891 119.029 119.914 0.010 0.000 2.326 211 V HA -0.013 4.107 4.120 0.000 0.000 0.238 211 V C 2.021 178.106 176.094 -0.015 0.000 1.038 211 V CA 1.648 63.944 62.300 -0.006 0.000 1.032 211 V CB -0.049 31.770 31.823 -0.007 0.000 0.675 211 V HN 0.146 nan 8.190 nan 0.000 0.467 212 V N -0.936 118.973 119.914 -0.008 0.000 2.721 212 V HA 0.212 4.332 4.120 0.000 0.000 0.236 212 V C 0.700 176.793 176.094 -0.002 0.000 1.116 212 V CA 0.556 62.853 62.300 -0.006 0.000 1.148 212 V CB -0.092 31.730 31.823 -0.002 0.000 0.886 212 V HN 0.491 nan 8.190 nan 0.000 0.490 213 N N 0.307 119.004 118.700 -0.005 0.000 2.492 213 N HA 0.259 4.999 4.740 0.000 0.000 0.289 213 N C -0.386 175.113 175.510 -0.017 0.000 1.133 213 N CA -0.342 52.700 53.050 -0.012 0.000 0.961 213 N CB 0.908 39.385 38.487 -0.017 0.000 1.186 213 N HN 0.163 nan 8.380 nan 0.000 0.493 214 K N 0.385 120.769 120.400 -0.025 0.000 2.355 214 K HA 0.085 4.405 4.320 0.000 0.000 0.270 214 K C -0.315 176.242 176.600 -0.072 0.000 1.003 214 K CA 0.074 56.340 56.287 -0.034 0.000 0.957 214 K CB 0.613 33.080 32.500 -0.054 0.000 0.939 214 K HN 0.382 nan 8.250 nan 0.000 0.482 215 S N 1.281 116.916 115.700 -0.108 0.000 2.541 215 S HA 0.094 4.564 4.470 0.000 0.000 0.283 215 S C 0.594 175.046 174.600 -0.246 0.000 1.196 215 S CA -0.588 57.495 58.200 -0.197 0.000 1.062 215 S CB 1.025 64.047 63.200 -0.296 0.000 1.009 215 S HN 0.564 nan 8.310 nan 0.000 0.502 216 E N 2.404 122.466 120.200 -0.231 0.000 2.435 216 E HA 0.063 4.413 4.350 0.000 0.000 0.195 216 E C 1.579 178.007 176.600 -0.288 0.000 1.029 216 E CA 0.204 56.477 56.400 -0.212 0.000 0.865 216 E CB 0.164 29.779 29.700 -0.141 0.000 0.833 216 E HN 0.552 nan 8.360 nan 0.000 0.510 217 R N 0.560 120.784 120.500 -0.460 0.000 2.316 217 R HA 0.003 4.344 4.340 0.000 0.000 0.202 217 R C 0.632 176.509 176.300 -0.705 0.000 1.029 217 R CA 0.707 56.420 56.100 -0.643 0.000 1.018 217 R CB 0.206 29.851 30.300 -1.092 0.000 0.888 217 R HN -0.018 nan 8.270 nan 0.000 0.471 218 S N -0.348 114.941 115.700 -0.685 0.000 2.216 218 S HA 0.262 4.732 4.470 0.000 0.000 0.156 218 S C -2.022 172.141 174.600 -0.729 0.000 1.665 218 S CA -1.240 56.428 58.200 -0.888 0.000 1.262 218 S CB 1.610 64.127 63.200 -1.138 0.000 1.207 218 S HN -0.110 nan 8.310 nan 0.000 0.427 219 P HA -0.056 nan 4.420 nan 0.000 0.221 219 P C 1.474 178.706 177.300 -0.114 0.000 1.150 219 P CA 0.745 63.733 63.100 -0.188 0.000 0.800 219 P CB -0.276 31.400 31.700 -0.039 0.000 0.787 220 W N -1.364 119.953 121.300 0.028 0.000 2.825 220 W HA 0.033 4.693 4.660 0.000 0.000 0.243 220 W C -0.001 176.569 176.519 0.085 0.000 1.293 220 W CA -0.432 56.942 57.345 0.047 0.000 1.403 220 W CB -1.478 28.014 29.460 0.053 0.000 1.134 220 W HN -0.096 nan 8.180 nan 0.000 0.666 221 Y N 2.453 122.466 120.300 -0.479 0.000 2.425 221 Y HA 0.489 5.039 4.550 0.000 0.000 0.347 221 Y C 0.981 176.765 175.900 -0.193 0.000 0.976 221 Y CA -1.016 56.843 58.100 -0.401 0.000 1.190 221 Y CB 1.339 39.329 38.460 -0.784 0.000 1.136 221 Y HN -0.021 nan 8.280 nan 0.000 0.517 222 A N 4.392 126.977 122.820 -0.391 0.000 2.267 222 A HA 0.342 4.662 4.320 0.000 0.000 0.213 222 A C 1.252 178.503 177.584 -0.554 0.000 1.192 222 A CA 0.418 52.237 52.037 -0.363 0.000 0.851 222 A CB -0.615 18.307 19.000 -0.131 0.000 0.881 222 A HN 0.867 nan 8.150 nan 0.000 0.494 223 G N 0.065 108.220 108.800 -1.075 0.000 2.634 223 G HA2 0.424 4.384 3.960 0.000 0.000 0.255 223 G HA3 0.424 4.384 3.960 0.000 0.000 0.255 223 G C 0.074 174.589 174.900 -0.643 0.000 1.205 223 G CA -0.411 44.231 45.100 -0.764 0.000 0.884 223 G HN 0.632 nan 8.290 nan 0.000 0.549 224 Q N -0.635 119.048 119.800 -0.195 0.000 2.312 224 Q HA 0.464 4.804 4.340 0.000 0.000 0.236 224 Q C 0.406 176.460 176.000 0.090 0.000 0.965 224 Q CA -0.560 55.204 55.803 -0.066 0.000 0.894 224 Q CB 0.893 29.611 28.738 -0.033 0.000 1.225 224 Q HN 0.554 nan 8.270 nan 0.000 0.478 225 S N 1.109 116.854 115.700 0.075 0.000 2.589 225 S HA 0.183 4.654 4.470 0.000 0.000 0.265 225 S C 0.321 174.948 174.600 0.045 0.000 1.342 225 S CA -0.877 57.379 58.200 0.094 0.000 1.005 225 S CB 0.448 63.674 63.200 0.042 0.000 0.909 225 S HN 0.537 nan 8.310 nan 0.000 0.555 229 I N 1.792 122.353 120.570 -0.016 0.000 2.163 229 I HA -0.224 3.946 4.170 0.000 0.000 0.240 229 I C 2.318 178.418 176.117 -0.029 0.000 1.081 229 I CA 1.254 62.537 61.300 -0.029 0.000 1.353 229 I CB -0.129 37.847 38.000 -0.039 0.000 1.054 229 I HN 0.081 nan 8.210 nan 0.000 0.407 230 L N 0.266 121.456 121.223 -0.054 0.000 2.127 230 L HA -0.238 4.102 4.340 0.000 0.000 0.211 230 L C 2.325 179.350 176.870 0.258 0.000 1.089 230 L CA 1.499 56.339 54.840 0.000 0.000 0.757 230 L CB -0.509 41.374 42.059 -0.294 0.000 0.899 230 L HN 0.314 nan 8.230 nan 0.000 0.434 231 E N -1.082 119.236 120.200 0.195 0.000 2.250 231 E HA -0.108 4.242 4.350 0.000 0.000 0.192 231 E C 1.994 178.630 176.600 0.059 0.000 0.986 231 E CA 1.411 57.923 56.400 0.188 0.000 0.849 231 E CB 0.221 30.012 29.700 0.152 0.000 0.797 231 E HN 0.547 nan 8.360 nan 0.000 0.482 232 T N -1.575 112.994 114.554 0.025 0.000 3.015 232 T HA 0.080 4.430 4.350 0.000 0.000 0.250 232 T C 0.963 175.640 174.700 -0.038 0.000 1.057 232 T CA -0.128 61.967 62.100 -0.009 0.000 1.066 232 T CB -0.390 68.472 68.868 -0.009 0.000 0.959 232 T HN -0.026 nan 8.240 nan 0.000 0.488 233 V N 1.485 121.360 119.914 -0.066 0.000 2.557 233 V HA 0.222 4.342 4.120 0.000 0.000 0.301 233 V C 0.097 176.104 176.094 -0.145 0.000 1.026 233 V CA -0.960 61.249 62.300 -0.151 0.000 1.137 233 V CB -0.478 31.167 31.823 -0.296 0.000 0.917 233 V HN 0.389 nan 8.190 nan 0.000 0.484 234 E N 4.042 124.178 120.200 -0.107 0.000 2.366 234 E HA 0.234 4.584 4.350 0.000 0.000 0.266 234 E C 0.330 176.917 176.600 -0.022 0.000 1.015 234 E CA -0.006 56.370 56.400 -0.039 0.000 0.906 234 E CB 0.856 30.562 29.700 0.010 0.000 0.979 234 E HN 0.779 nan 8.360 nan 0.000 0.443 235 I N 1.892 122.472 120.570 0.017 0.000 3.874 235 I HA 0.134 4.304 4.170 0.000 0.000 0.331 235 I C 1.092 177.283 176.117 0.123 0.000 1.489 235 I CA -0.201 61.147 61.300 0.079 0.000 1.187 235 I CB 0.225 38.254 38.000 0.048 0.000 1.150 235 I HN 0.401 nan 8.210 nan 0.000 0.412 236 A N 0.486 123.385 122.820 0.133 0.000 2.223 236 A HA 0.096 4.416 4.320 0.000 0.000 0.222 236 A C 1.926 179.630 177.584 0.201 0.000 1.317 236 A CA 0.360 52.512 52.037 0.192 0.000 0.985 236 A CB -0.503 18.579 19.000 0.137 0.000 0.858 236 A HN 0.391 nan 8.150 nan 0.000 0.496 237 S N 1.189 116.994 115.700 0.175 0.000 2.453 237 S HA -0.091 4.379 4.470 0.000 0.000 0.231 237 S C 1.039 175.676 174.600 0.061 0.000 1.005 237 S CA 0.782 59.059 58.200 0.129 0.000 0.949 237 S CB -0.249 63.046 63.200 0.159 0.000 0.774 237 S HN 0.908 nan 8.310 nan 0.000 0.510 238 D N 1.777 122.206 120.400 0.048 0.000 2.826 238 D HA -0.019 4.621 4.640 0.000 0.000 0.229 238 D C 0.864 177.099 176.300 -0.109 0.000 1.091 238 D CA -0.063 53.899 54.000 -0.063 0.000 1.061 238 D CB -0.342 40.389 40.800 -0.116 0.000 1.155 238 D HN 0.236 nan 8.370 nan 0.000 0.450 239 R N 0.078 120.584 120.500 0.010 0.000 2.174 239 R HA -0.217 4.123 4.340 0.000 0.000 0.253 239 R C 1.341 177.673 176.300 0.053 0.000 1.165 239 R CA 1.520 57.678 56.100 0.097 0.000 0.984 239 R CB -1.082 29.250 30.300 0.054 0.000 0.873 239 R HN 0.559 nan 8.270 nan 0.000 0.456 240 N N 0.563 119.193 118.700 -0.117 0.000 2.670 240 N HA -0.059 4.682 4.740 0.000 0.000 0.296 240 N C -0.024 175.330 175.510 -0.259 0.000 1.216 240 N CA 0.314 53.288 53.050 -0.126 0.000 1.123 240 N CB -0.751 37.661 38.487 -0.125 0.000 1.459 240 N HN 0.285 nan 8.380 nan 0.000 0.509 241 Y N -0.769 119.548 120.300 0.029 0.000 2.467 241 Y HA 0.065 4.615 4.550 0.000 0.000 0.250 241 Y C 2.653 178.584 175.900 0.052 0.000 1.155 241 Y CA 0.747 58.871 58.100 0.040 0.000 1.249 241 Y CB 0.855 39.336 38.460 0.036 0.000 1.146 241 Y HN 0.665 nan 8.280 nan 0.000 0.524 242 T N -3.206 111.445 114.554 0.162 0.000 3.039 242 T HA 0.040 4.390 4.350 0.000 0.000 0.250 242 T C 0.028 174.796 174.700 0.114 0.000 1.052 242 T CA 0.362 62.538 62.100 0.126 0.000 1.125 242 T CB -0.160 68.765 68.868 0.095 0.000 0.908 242 T HN 0.072 nan 8.240 nan 0.000 0.473 243 D N 1.867 122.315 120.400 0.080 0.000 2.505 243 D HA 0.455 5.095 4.640 0.000 0.000 0.250 243 D C -0.888 175.427 176.300 0.025 0.000 1.164 243 D CA -0.817 53.226 54.000 0.071 0.000 0.870 243 D CB 1.139 41.965 40.800 0.044 0.000 1.160 243 D HN 0.175 nan 8.370 nan 0.000 0.549 244 L N 2.497 123.718 121.223 -0.004 0.000 2.534 244 L HA 0.248 4.588 4.340 0.000 0.000 0.271 244 L C -0.425 176.403 176.870 -0.070 0.000 1.178 244 L CA 0.635 55.403 54.840 -0.120 0.000 0.907 244 L CB -0.098 41.669 42.059 -0.487 0.000 1.164 244 L HN 0.289 nan 8.230 nan 0.000 0.482 245 R N 6.187 126.676 120.500 -0.019 0.000 2.473 245 R HA 0.303 4.643 4.340 0.000 0.000 0.303 245 R C -1.544 174.808 176.300 0.087 0.000 1.002 245 R CA -0.397 55.710 56.100 0.012 0.000 0.884 245 R CB 1.225 31.519 30.300 -0.011 0.000 1.173 245 R HN 0.595 nan 8.270 nan 0.000 0.464 246 F N 5.157 125.069 119.950 -0.063 0.000 2.359 246 F HA 0.441 4.968 4.527 0.000 0.000 0.369 246 F C -2.228 173.560 175.800 -0.019 0.000 1.084 246 F CA -2.584 55.393 58.000 -0.038 0.000 1.096 246 F CB 1.557 40.533 39.000 -0.040 0.000 1.335 246 F HN 0.229 nan 8.300 nan 0.000 0.457 247 P HA 0.089 nan 4.420 nan 0.000 0.276 247 P C -0.611 176.402 177.300 -0.479 0.000 1.264 247 P CA -0.008 62.913 63.100 -0.299 0.000 0.769 247 P CB 1.032 32.614 31.700 -0.196 0.000 0.840 248 V N 4.692 124.460 119.914 -0.244 0.000 2.446 248 V HA 0.008 4.128 4.120 0.000 0.000 0.276 248 V C 1.659 177.720 176.094 -0.054 0.000 1.030 248 V CA 0.636 62.862 62.300 -0.122 0.000 1.033 248 V CB 0.511 32.371 31.823 0.061 0.000 0.993 248 V HN 0.641 nan 8.190 nan 0.000 0.477 249 Q N 4.404 124.187 119.800 -0.028 0.000 2.387 249 Q HA 0.136 4.476 4.340 0.000 0.000 0.208 249 Q C -0.319 175.781 176.000 0.166 0.000 0.935 249 Q CA 0.356 56.184 55.803 0.042 0.000 0.891 249 Q CB 0.630 29.375 28.738 0.012 0.000 1.007 249 Q HN 0.748 nan 8.270 nan 0.000 0.548 250 Y N 0.059 120.396 120.300 0.062 0.000 2.396 250 Y HA 0.372 4.922 4.550 0.000 0.000 0.332 250 Y C -1.526 174.436 175.900 0.103 0.000 1.034 250 Y CA -1.080 57.062 58.100 0.070 0.000 1.057 250 Y CB 1.861 40.353 38.460 0.052 0.000 1.220 250 Y HN -0.236 nan 8.280 nan 0.000 0.440 251 V N 6.136 125.941 119.914 -0.182 0.000 2.356 251 V HA 0.131 4.251 4.120 0.000 0.000 0.258 251 V C -0.092 175.844 176.094 -0.263 0.000 1.065 251 V CA -0.497 61.714 62.300 -0.148 0.000 0.935 251 V CB 0.107 31.879 31.823 -0.085 0.000 1.061 251 V HN 0.662 nan 8.190 nan 0.000 0.484 252 N N 4.927 123.645 118.700 0.030 0.000 2.411 252 N HA 0.211 4.951 4.740 0.000 0.000 0.259 252 N C -0.055 175.512 175.510 0.095 0.000 1.103 252 N CA -0.049 53.131 53.050 0.218 0.000 0.954 252 N CB 0.504 39.228 38.487 0.395 0.000 1.085 252 N HN 0.387 nan 8.380 nan 0.000 0.485 253 R N 4.803 125.349 120.500 0.076 0.000 2.564 253 R HA 0.260 4.600 4.340 0.000 0.000 0.282 253 R C -1.715 174.642 176.300 0.096 0.000 1.573 253 R CA -1.292 54.849 56.100 0.068 0.000 1.588 253 R CB 0.904 31.198 30.300 -0.009 0.000 1.154 253 R HN 0.538 nan 8.270 nan 0.000 0.606 254 P HA -0.102 nan 4.420 nan 0.000 0.214 254 P C 0.111 177.444 177.300 0.055 0.000 1.162 254 P CA 1.064 64.206 63.100 0.069 0.000 0.874 254 P CB 0.351 32.055 31.700 0.007 0.000 0.784 255 N N -1.718 117.029 118.700 0.078 0.000 3.091 255 N HA 0.192 4.932 4.740 0.000 0.000 0.329 255 N C 0.553 176.103 175.510 0.066 0.000 1.430 255 N CA -0.714 52.371 53.050 0.060 0.000 0.755 255 N CB 0.871 39.386 38.487 0.047 0.000 1.626 255 N HN -0.202 nan 8.380 nan 0.000 0.614 256 L N -0.311 120.939 121.223 0.046 0.000 2.362 256 L HA -0.004 4.336 4.340 0.000 0.000 0.219 256 L C 1.296 178.188 176.870 0.035 0.000 1.134 256 L CA 0.879 55.739 54.840 0.033 0.000 0.807 256 L CB -0.345 41.728 42.059 0.023 0.000 0.927 256 L HN 0.525 nan 8.230 nan 0.000 0.447 257 N N -1.526 117.210 118.700 0.060 0.000 2.273 257 N HA 0.053 4.793 4.740 0.000 0.000 0.192 257 N C -0.117 175.439 175.510 0.077 0.000 1.132 257 N CA 0.026 53.109 53.050 0.055 0.000 0.887 257 N CB 0.754 39.275 38.487 0.057 0.000 1.048 257 N HN 0.064 nan 8.380 nan 0.000 0.490 258 F N 2.433 122.368 119.950 -0.026 0.000 2.391 258 F HA 0.360 4.887 4.527 0.000 0.000 0.359 258 F C 0.253 176.008 175.800 -0.076 0.000 1.122 258 F CA -0.754 57.222 58.000 -0.040 0.000 1.120 258 F CB 0.693 39.675 39.000 -0.030 0.000 1.142 258 F HN -0.336 nan 8.300 nan 0.000 0.483 259 R N 4.857 125.012 120.500 -0.574 0.000 2.371 259 R HA 0.524 4.865 4.340 0.000 0.000 0.312 259 R C -0.650 175.099 176.300 -0.919 0.000 0.980 259 R CA -0.570 55.208 56.100 -0.537 0.000 0.867 259 R CB 0.980 31.070 30.300 -0.349 0.000 1.163 259 R HN 0.882 nan 8.270 nan 0.000 0.492 260 G N 2.615 110.963 108.800 -0.753 0.000 2.432 260 G HA2 0.546 4.506 3.960 0.000 0.000 0.331 260 G HA3 0.546 4.506 3.960 0.000 0.000 0.331 260 G C -1.149 173.372 174.900 -0.632 0.000 1.170 260 G CA -0.523 44.228 45.100 -0.582 0.000 0.943 260 G HN 0.439 nan 8.290 nan 0.000 0.483 261 F N 1.374 121.393 119.950 0.116 0.000 2.443 261 F HA 0.562 5.089 4.527 0.000 0.000 0.369 261 F C 0.736 176.749 175.800 0.355 0.000 1.090 261 F CA -0.733 57.391 58.000 0.206 0.000 1.129 261 F CB 1.682 40.794 39.000 0.186 0.000 1.367 261 F HN 0.598 nan 8.300 nan 0.000 0.465 262 A N 2.042 125.127 122.820 0.441 0.000 2.302 262 A HA 0.926 5.247 4.320 0.000 0.000 0.285 262 A C 0.412 178.189 177.584 0.323 0.000 1.105 262 A CA 0.269 52.550 52.037 0.407 0.000 0.816 262 A CB 0.678 19.852 19.000 0.290 0.000 1.067 262 A HN 0.965 nan 8.150 nan 0.000 0.489 263 G N -0.691 108.273 108.800 0.273 0.000 2.321 263 G HA2 0.494 4.454 3.960 0.000 0.000 0.296 263 G HA3 0.494 4.454 3.960 0.000 0.000 0.296 263 G C -1.013 173.902 174.900 0.024 0.000 1.287 263 G CA -0.159 44.879 45.100 -0.104 0.000 0.846 263 G HN 0.892 nan 8.290 nan 0.000 0.508 264 T N 0.801 115.276 114.554 -0.131 0.000 2.807 264 T HA 0.521 4.871 4.350 0.000 0.000 0.279 264 T C -0.178 174.546 174.700 0.040 0.000 0.993 264 T CA -0.353 61.762 62.100 0.025 0.000 0.970 264 T CB 1.520 70.382 68.868 -0.010 0.000 0.950 264 T HN 0.422 nan 8.240 nan 0.000 0.441 265 L N 3.228 124.575 121.223 0.206 0.000 2.597 265 L HA 0.228 4.568 4.340 0.000 0.000 0.271 265 L C 1.544 178.442 176.870 0.047 0.000 1.157 265 L CA 0.215 55.171 54.840 0.193 0.000 0.928 265 L CB 0.066 42.220 42.059 0.157 0.000 1.216 265 L HN 0.942 nan 8.230 nan 0.000 0.481 266 A N 2.762 125.590 122.820 0.012 0.000 1.873 266 A HA 0.070 4.390 4.320 0.000 0.000 0.215 266 A C 0.978 178.526 177.584 -0.061 0.000 1.186 266 A CA 1.429 53.447 52.037 -0.033 0.000 0.616 266 A CB -0.156 18.820 19.000 -0.038 0.000 0.823 266 A HN 0.701 nan 8.150 nan 0.000 0.442 267 S N -4.202 111.468 115.700 -0.050 0.000 2.625 267 S HA 0.616 5.086 4.470 0.000 0.000 0.271 267 S C 0.036 174.602 174.600 -0.057 0.000 1.161 267 S CA 0.096 58.239 58.200 -0.094 0.000 0.820 267 S CB 0.844 63.993 63.200 -0.086 0.000 1.137 267 S HN 2.212 nan 8.310 nan 0.000 0.470 268 G N 0.069 108.830 108.800 -0.065 0.000 2.828 268 G HA2 -0.009 3.951 3.960 0.000 0.000 0.463 268 G HA3 -0.009 3.951 3.960 0.000 0.000 0.463 268 G C -1.007 173.930 174.900 0.063 0.000 1.394 268 G CA -0.329 44.787 45.100 0.026 0.000 0.862 268 G HN 1.295 nan 8.290 nan 0.000 0.540 269 I N -0.155 120.499 120.570 0.140 0.000 2.418 269 I HA 0.487 4.657 4.170 0.000 0.000 0.287 269 I C 0.486 176.707 176.117 0.174 0.000 1.008 269 I CA -0.989 60.404 61.300 0.156 0.000 1.104 269 I CB 1.748 39.868 38.000 0.199 0.000 1.264 269 I HN 0.514 nan 8.210 nan 0.000 0.438 270 V N 6.629 126.595 119.914 0.087 0.000 2.567 270 V HA 0.410 4.531 4.120 0.000 0.000 0.289 270 V C -0.699 175.466 176.094 0.118 0.000 1.049 270 V CA -0.057 62.290 62.300 0.078 0.000 0.969 270 V CB 1.361 33.141 31.823 -0.071 0.000 0.995 270 V HN 0.649 nan 8.190 nan 0.000 0.471 271 H N 5.119 124.237 119.070 0.080 0.000 2.600 271 H HA 0.343 4.899 4.556 0.000 0.000 0.357 271 H C -0.344 175.002 175.328 0.031 0.000 1.106 271 H CA -0.823 55.254 56.048 0.049 0.000 1.193 271 H CB 1.713 31.505 29.762 0.050 0.000 1.594 271 H HN 0.780 nan 8.280 nan 0.000 0.526 272 K N 1.726 122.154 120.400 0.047 0.000 2.466 272 K HA 0.029 4.349 4.320 0.000 0.000 0.278 272 K C 0.774 177.497 176.600 0.206 0.000 1.048 272 K CA 1.482 57.828 56.287 0.098 0.000 1.088 272 K CB -0.184 32.331 32.500 0.025 0.000 0.884 272 K HN 0.961 nan 8.250 nan 0.000 0.478 273 G N 3.165 112.031 108.800 0.111 0.000 2.175 273 G HA2 -0.206 3.754 3.960 0.000 0.000 0.244 273 G HA3 -0.206 3.754 3.960 0.000 0.000 0.244 273 G C -0.374 174.566 174.900 0.067 0.000 0.982 273 G CA 0.062 45.210 45.100 0.080 0.000 0.641 273 G HN 0.724 nan 8.290 nan 0.000 0.527 274 D N 0.899 121.360 120.400 0.101 0.000 2.455 274 D HA 0.426 5.066 4.640 0.000 0.000 0.241 274 D C 0.666 177.018 176.300 0.086 0.000 1.138 274 D CA 0.204 54.267 54.000 0.105 0.000 0.877 274 D CB 1.000 41.940 40.800 0.233 0.000 1.187 274 D HN 0.398 nan 8.370 nan 0.000 0.451 275 E N 1.902 122.142 120.200 0.066 0.000 2.129 275 E HA 0.323 4.673 4.350 0.000 0.000 0.283 275 E C -0.656 176.006 176.600 0.103 0.000 1.080 275 E CA -0.467 55.966 56.400 0.056 0.000 0.867 275 E CB -0.038 29.677 29.700 0.024 0.000 1.056 275 E HN 0.374 nan 8.360 nan 0.000 0.404 276 I N 1.789 122.398 120.570 0.065 0.000 3.100 276 I HA 0.743 4.913 4.170 0.000 0.000 0.312 276 I C -0.969 175.157 176.117 0.015 0.000 1.063 276 I CA -1.092 60.238 61.300 0.051 0.000 1.031 276 I CB 1.895 39.896 38.000 0.002 0.000 1.243 276 I HN 0.207 nan 8.210 nan 0.000 0.483 277 V N 2.604 122.521 119.914 0.004 0.000 2.888 277 V HA 0.595 4.715 4.120 0.000 0.000 0.309 277 V C -0.406 175.675 176.094 -0.023 0.000 1.114 277 V CA -0.590 61.706 62.300 -0.008 0.000 0.940 277 V CB 2.150 33.977 31.823 0.007 0.000 1.021 277 V HN 0.840 nan 8.190 nan 0.000 0.426 278 V N 3.521 123.413 119.914 -0.037 0.000 2.716 278 V HA 0.636 4.756 4.120 0.000 0.000 0.304 278 V C 0.112 176.191 176.094 -0.024 0.000 1.053 278 V CA -0.266 62.010 62.300 -0.040 0.000 0.984 278 V CB 1.649 33.429 31.823 -0.072 0.000 1.021 278 V HN 0.740 nan 8.190 nan 0.000 0.467 279 L N 1.415 122.627 121.223 -0.019 0.000 2.920 279 L HA 0.266 4.606 4.340 0.000 0.000 0.257 279 L C -0.661 176.204 176.870 -0.009 0.000 1.150 279 L CA -0.546 54.287 54.840 -0.011 0.000 0.959 279 L CB 0.049 42.102 42.059 -0.010 0.000 1.321 279 L HN 0.529 nan 8.230 nan 0.000 0.555 280 P HA -0.284 nan 4.420 nan 0.000 0.209 280 P C 1.402 178.698 177.300 -0.006 0.000 1.080 280 P CA 2.615 65.711 63.100 -0.006 0.000 0.971 280 P CB -0.030 31.664 31.700 -0.009 0.000 0.768 281 S N -3.147 112.546 115.700 -0.011 0.000 2.499 281 S HA 0.394 4.864 4.470 0.000 0.000 0.225 281 S C 1.705 176.301 174.600 -0.007 0.000 1.050 281 S CA 0.793 58.988 58.200 -0.008 0.000 0.928 281 S CB -0.221 62.972 63.200 -0.011 0.000 0.803 281 S HN 0.542 nan 8.310 nan 0.000 0.506 282 G N 2.099 110.893 108.800 -0.010 0.000 2.179 282 G HA2 -0.213 3.747 3.960 0.000 0.000 0.220 282 G HA3 -0.213 3.747 3.960 0.000 0.000 0.220 282 G C -0.095 174.800 174.900 -0.008 0.000 0.990 282 G CA 0.009 45.105 45.100 -0.006 0.000 0.646 282 G HN 0.879 nan 8.290 nan 0.000 0.517 283 K N 0.590 120.982 120.400 -0.014 0.000 2.185 283 K HA 0.681 5.001 4.320 0.000 0.000 0.271 283 K C 0.287 176.875 176.600 -0.020 0.000 1.013 283 K CA 0.157 56.435 56.287 -0.015 0.000 0.943 283 K CB 1.572 34.062 32.500 -0.016 0.000 0.998 283 K HN 0.600 nan 8.250 nan 0.000 0.468 284 S N 0.418 116.109 115.700 -0.014 0.000 2.621 284 S HA 0.613 5.083 4.470 0.000 0.000 0.302 284 S C -0.620 173.971 174.600 -0.014 0.000 1.093 284 S CA -0.749 57.444 58.200 -0.011 0.000 1.017 284 S CB 1.751 64.951 63.200 -0.001 0.000 1.077 284 S HN 0.750 nan 8.310 nan 0.000 0.517 285 S N -0.017 115.676 115.700 -0.012 0.000 2.611 285 S HA 0.571 5.041 4.470 0.000 0.000 0.268 285 S C -1.620 172.981 174.600 0.001 0.000 1.156 285 S CA -0.887 57.308 58.200 -0.009 0.000 0.817 285 S CB 1.528 64.715 63.200 -0.020 0.000 1.122 285 S HN 0.869 nan 8.310 nan 0.000 0.466 286 R N 1.244 121.748 120.500 0.006 0.000 2.532 286 R HA 0.640 4.980 4.340 0.000 0.000 0.295 286 R C -1.114 175.195 176.300 0.014 0.000 0.968 286 R CA -0.600 55.510 56.100 0.015 0.000 0.916 286 R CB 1.433 31.743 30.300 0.016 0.000 1.124 286 R HN 0.515 nan 8.270 nan 0.000 0.463 287 V N 5.438 125.364 119.914 0.020 0.000 2.421 287 V HA -0.032 4.088 4.120 0.000 0.000 0.271 287 V C 1.512 177.616 176.094 0.017 0.000 1.031 287 V CA 0.415 62.721 62.300 0.010 0.000 1.032 287 V CB 0.934 32.760 31.823 0.004 0.000 1.009 287 V HN 0.827 nan 8.190 nan 0.000 0.477 288 K N 3.346 123.753 120.400 0.011 0.000 1.991 288 K HA -0.013 4.307 4.320 0.000 0.000 0.207 288 K C 0.778 177.386 176.600 0.014 0.000 1.045 288 K CA 1.420 57.715 56.287 0.012 0.000 0.937 288 K CB 0.257 32.760 32.500 0.004 0.000 0.720 288 K HN 0.814 nan 8.250 nan 0.000 0.438 289 S N -0.637 115.067 115.700 0.008 0.000 2.537 289 S HA 0.444 4.914 4.470 0.000 0.000 0.270 289 S C -0.706 173.897 174.600 0.006 0.000 1.142 289 S CA -1.064 57.144 58.200 0.014 0.000 0.870 289 S CB 1.356 64.580 63.200 0.040 0.000 1.112 289 S HN 0.140 nan 8.310 nan 0.000 0.466 290 I N 2.434 123.001 120.570 -0.006 0.000 2.307 290 I HA 0.420 4.590 4.170 0.000 0.000 0.289 290 I C -0.904 175.229 176.117 0.026 0.000 1.021 290 I CA -0.837 60.456 61.300 -0.013 0.000 1.224 290 I CB 1.480 39.451 38.000 -0.049 0.000 1.376 290 I HN 0.438 nan 8.210 nan 0.000 0.470 291 V N 5.763 125.718 119.914 0.068 0.000 2.370 291 V HA 0.551 4.671 4.120 0.000 0.000 0.283 291 V C 0.318 176.467 176.094 0.091 0.000 1.023 291 V CA -0.279 62.080 62.300 0.098 0.000 0.857 291 V CB 1.668 33.609 31.823 0.197 0.000 0.985 291 V HN 0.881 nan 8.190 nan 0.000 0.443 292 T N 0.847 115.442 114.554 0.068 0.000 2.864 292 T HA 0.461 4.811 4.350 0.000 0.000 0.289 292 T C 0.508 175.267 174.700 0.098 0.000 1.082 292 T CA -0.492 61.664 62.100 0.092 0.000 1.009 292 T CB 1.361 70.280 68.868 0.086 0.000 1.234 292 T HN 0.223 nan 8.240 nan 0.000 0.526 293 F N 1.246 121.189 119.950 -0.011 0.000 2.216 293 F HA 0.041 4.568 4.527 0.000 0.000 0.300 293 F C 1.992 177.780 175.800 -0.020 0.000 1.085 293 F CA 1.498 59.484 58.000 -0.023 0.000 1.326 293 F CB -0.257 38.728 39.000 -0.025 0.000 1.027 293 F HN 0.636 nan 8.300 nan 0.000 0.497 294 E N 0.210 120.434 120.200 0.041 0.000 2.358 294 E HA 0.248 4.598 4.350 0.000 0.000 0.195 294 E C 1.176 177.724 176.600 -0.087 0.000 1.010 294 E CA 0.724 57.102 56.400 -0.036 0.000 0.856 294 E CB -0.180 29.543 29.700 0.039 0.000 0.795 294 E HN 0.541 nan 8.360 nan 0.000 0.504 295 G N -0.287 108.469 108.800 -0.073 0.000 2.240 295 G HA2 -0.090 3.870 3.960 0.000 0.000 0.199 295 G HA3 -0.090 3.870 3.960 0.000 0.000 0.199 295 G C -1.361 173.525 174.900 -0.024 0.000 1.342 295 G CA -0.907 44.154 45.100 -0.065 0.000 1.145 295 G HN 0.027 nan 8.290 nan 0.000 0.477 296 E N 0.250 120.439 120.200 -0.018 0.000 2.166 296 E HA 0.597 4.947 4.350 0.000 0.000 0.275 296 E C -0.470 176.120 176.600 -0.017 0.000 0.941 296 E CA -0.467 55.930 56.400 -0.005 0.000 0.784 296 E CB 1.838 31.540 29.700 0.003 0.000 1.115 296 E HN 0.415 nan 8.360 nan 0.000 0.399 297 L N 2.478 123.687 121.223 -0.023 0.000 2.334 297 L HA 0.279 4.619 4.340 0.000 0.000 0.275 297 L C 1.382 178.199 176.870 -0.089 0.000 1.036 297 L CA -0.723 54.090 54.840 -0.045 0.000 0.807 297 L CB 1.165 43.202 42.059 -0.037 0.000 1.231 297 L HN 0.503 nan 8.230 nan 0.000 0.438 298 E N 0.998 121.119 120.200 -0.133 0.000 2.112 298 E HA -0.063 4.287 4.350 0.000 0.000 0.190 298 E C 0.035 176.336 176.600 -0.498 0.000 0.979 298 E CA 0.825 57.063 56.400 -0.270 0.000 0.814 298 E CB 0.349 29.916 29.700 -0.222 0.000 0.762 298 E HN 0.699 nan 8.360 nan 0.000 0.460 299 Q N -1.133 118.479 119.800 -0.314 0.000 2.501 299 Q HA 0.732 5.072 4.340 0.000 0.000 0.288 299 Q C -1.421 174.532 176.000 -0.079 0.000 1.051 299 Q CA -1.048 54.617 55.803 -0.229 0.000 0.788 299 Q CB 2.386 31.027 28.738 -0.162 0.000 1.469 299 Q HN -0.058 nan 8.270 nan 0.000 0.416 300 A N 0.412 123.216 122.820 -0.026 0.000 2.486 300 A HA 0.878 5.199 4.320 0.000 0.000 0.300 300 A C -0.619 176.995 177.584 0.050 0.000 1.048 300 A CA -0.103 51.941 52.037 0.012 0.000 0.696 300 A CB 1.832 20.833 19.000 0.001 0.000 1.278 300 A HN 0.901 nan 8.150 nan 0.000 0.405 301 G N 0.454 109.298 108.800 0.073 0.000 2.705 301 G HA2 0.785 4.745 3.960 0.000 0.000 0.299 301 G HA3 0.785 4.745 3.960 0.000 0.000 0.299 301 G C -2.860 172.069 174.900 0.050 0.000 1.315 301 G CA -1.901 43.259 45.100 0.099 0.000 1.045 301 G HN 0.533 nan 8.290 nan 0.000 0.517 302 P HA 0.174 nan 4.420 nan 0.000 0.268 302 P C 0.753 178.037 177.300 -0.025 0.000 1.205 302 P CA 1.367 64.422 63.100 -0.075 0.000 0.771 302 P CB 1.016 32.560 31.700 -0.260 0.000 0.858 303 G N 1.245 110.039 108.800 -0.009 0.000 2.143 303 G HA2 -0.236 3.725 3.960 0.000 0.000 0.249 303 G HA3 -0.236 3.725 3.960 0.000 0.000 0.249 303 G C -0.027 174.889 174.900 0.028 0.000 0.981 303 G CA -0.199 44.903 45.100 0.004 0.000 0.665 303 G HN 0.626 nan 8.290 nan 0.000 0.528 304 Q N 0.020 119.851 119.800 0.051 0.000 2.290 304 Q HA 0.630 4.970 4.340 0.000 0.000 0.259 304 Q C 0.263 176.321 176.000 0.096 0.000 0.941 304 Q CA 0.019 55.861 55.803 0.065 0.000 0.912 304 Q CB 1.744 30.522 28.738 0.065 0.000 1.244 304 Q HN 0.624 nan 8.270 nan 0.000 0.441 305 A N 3.161 126.029 122.820 0.079 0.000 2.437 305 A HA 0.458 4.778 4.320 0.000 0.000 0.303 305 A C 0.047 177.704 177.584 0.121 0.000 1.324 305 A CA -0.337 51.758 52.037 0.096 0.000 0.983 305 A CB -0.368 18.662 19.000 0.050 0.000 1.142 305 A HN 0.524 nan 8.150 nan 0.000 0.541 306 V N 0.144 120.172 119.914 0.191 0.000 3.164 306 V HA 0.927 5.047 4.120 0.000 0.000 0.313 306 V C -0.212 176.018 176.094 0.226 0.000 1.188 306 V CA -0.697 61.700 62.300 0.162 0.000 1.058 306 V CB 1.708 33.585 31.823 0.091 0.000 1.110 306 V HN 0.541 nan 8.190 nan 0.000 0.453 307 T N 2.341 116.993 114.554 0.164 0.000 2.879 307 T HA 0.650 5.000 4.350 0.000 0.000 0.290 307 T C -0.723 174.038 174.700 0.102 0.000 0.993 307 T CA -0.263 61.958 62.100 0.203 0.000 0.975 307 T CB 1.130 70.136 68.868 0.232 0.000 0.981 307 T HN 0.685 nan 8.240 nan 0.000 0.439 308 L N 2.990 124.260 121.223 0.078 0.000 2.282 308 L HA 0.552 4.892 4.340 0.000 0.000 0.288 308 L C 0.594 177.529 176.870 0.108 0.000 1.033 308 L CA -0.665 54.175 54.840 -0.001 0.000 0.807 308 L CB 1.501 43.440 42.059 -0.200 0.000 1.209 308 L HN 0.604 nan 8.230 nan 0.000 0.423 312 D N 1.205 121.614 120.400 0.015 0.000 2.269 312 D HA 0.195 4.835 4.640 0.000 0.000 0.244 312 D C -0.075 176.241 176.300 0.027 0.000 0.992 312 D CA -0.334 53.675 54.000 0.015 0.000 0.894 312 D CB 1.945 42.750 40.800 0.007 0.000 1.248 312 D HN -0.084 nan 8.370 nan 0.000 0.468 313 E N 0.904 121.120 120.200 0.027 0.000 2.335 313 E HA 0.069 4.419 4.350 0.000 0.000 0.191 313 E C 0.539 177.166 176.600 0.045 0.000 1.150 313 E CA -0.294 56.131 56.400 0.042 0.000 1.001 313 E CB -0.151 29.566 29.700 0.029 0.000 1.127 313 E HN 0.389 nan 8.360 nan 0.000 0.462 314 I N 1.287 121.872 120.570 0.026 0.000 3.087 314 I HA -0.198 3.972 4.170 0.000 0.000 0.318 314 I C 0.198 176.318 176.117 0.005 0.000 1.209 314 I CA 0.553 61.851 61.300 -0.003 0.000 1.460 314 I CB 0.483 38.458 38.000 -0.043 0.000 1.306 314 I HN 0.032 nan 8.210 nan 0.000 0.560 315 D N 8.618 129.013 120.400 -0.008 0.000 2.365 315 D HA 0.369 5.009 4.640 0.000 0.000 0.237 315 D C -0.708 175.566 176.300 -0.044 0.000 1.190 315 D CA -0.004 54.001 54.000 0.008 0.000 0.867 315 D CB 0.279 41.087 40.800 0.012 0.000 1.050 315 D HN 0.337 nan 8.370 nan 0.000 0.491 316 I N 2.607 123.145 120.570 -0.054 0.000 2.447 316 I HA 0.212 4.382 4.170 0.000 0.000 0.287 316 I C 0.137 176.276 176.117 0.037 0.000 1.023 316 I CA -0.582 60.617 61.300 -0.168 0.000 1.083 316 I CB 1.893 39.452 38.000 -0.735 0.000 1.245 316 I HN 0.122 nan 8.210 nan 0.000 0.434 317 S N 4.453 120.168 115.700 0.024 0.000 2.718 317 S HA 0.497 4.967 4.470 0.000 0.000 0.300 317 S C -0.099 174.537 174.600 0.060 0.000 1.117 317 S CA -0.797 57.441 58.200 0.063 0.000 1.002 317 S CB 1.620 64.841 63.200 0.035 0.000 1.092 317 S HN 0.597 nan 8.310 nan 0.000 0.542 318 R N 0.093 120.628 120.500 0.058 0.000 2.538 318 R HA 0.345 4.686 4.340 0.000 0.000 0.282 318 R C 1.051 177.371 176.300 0.033 0.000 1.009 318 R CA 1.311 57.437 56.100 0.044 0.000 1.063 318 R CB -0.538 29.778 30.300 0.026 0.000 0.945 318 R HN 0.972 nan 8.270 nan 0.000 0.414 319 G N 3.091 111.905 108.800 0.023 0.000 2.307 319 G HA2 -0.205 3.755 3.960 0.000 0.000 0.210 319 G HA3 -0.205 3.755 3.960 0.000 0.000 0.210 319 G C -0.445 174.459 174.900 0.006 0.000 1.005 319 G CA 0.017 45.133 45.100 0.026 0.000 0.634 319 G HN 0.659 nan 8.290 nan 0.000 0.496 320 D N 0.734 121.132 120.400 -0.003 0.000 2.362 320 D HA 0.517 5.157 4.640 0.000 0.000 0.242 320 D C 0.571 176.858 176.300 -0.022 0.000 1.132 320 D CA 0.143 54.133 54.000 -0.016 0.000 0.907 320 D CB 1.332 42.112 40.800 -0.033 0.000 1.195 320 D HN 0.281 nan 8.370 nan 0.000 0.429 321 L N 1.567 122.780 121.223 -0.018 0.000 2.295 321 L HA 0.351 4.691 4.340 0.000 0.000 0.285 321 L C -0.242 176.637 176.870 0.014 0.000 1.035 321 L CA -0.711 54.126 54.840 -0.006 0.000 0.806 321 L CB 1.021 43.072 42.059 -0.013 0.000 1.214 321 L HN 0.092 nan 8.230 nan 0.000 0.426 322 L N 4.520 125.789 121.223 0.076 0.000 2.282 322 L HA 0.621 4.961 4.340 0.000 0.000 0.288 322 L C -0.391 176.493 176.870 0.024 0.000 1.033 322 L CA -0.475 54.400 54.840 0.058 0.000 0.807 322 L CB 1.836 43.961 42.059 0.109 0.000 1.209 322 L HN 0.320 nan 8.230 nan 0.000 0.423 323 V N 1.941 121.841 119.914 -0.024 0.000 3.130 323 V HA 0.426 4.546 4.120 0.000 0.000 0.310 323 V C -0.569 175.502 176.094 -0.038 0.000 1.158 323 V CA -0.673 61.597 62.300 -0.050 0.000 1.029 323 V CB 2.702 34.521 31.823 -0.007 0.000 1.057 323 V HN 0.602 nan 8.190 nan 0.000 0.436 324 H N 2.652 121.733 119.070 0.018 0.000 2.803 324 H HA 0.295 4.851 4.556 0.000 0.000 0.330 324 H C 1.009 176.340 175.328 0.006 0.000 1.057 324 H CA 0.579 56.634 56.048 0.011 0.000 1.458 324 H CB 1.676 31.447 29.762 0.015 0.000 1.470 324 H HN 0.793 nan 8.280 nan 0.000 0.560 325 A N 3.291 126.198 122.820 0.145 0.000 2.070 325 A HA -0.160 4.160 4.320 0.000 0.000 0.220 325 A C 1.623 179.236 177.584 0.049 0.000 1.159 325 A CA 1.448 53.526 52.037 0.068 0.000 0.656 325 A CB -0.101 18.925 19.000 0.044 0.000 0.800 325 A HN 0.752 nan 8.150 nan 0.000 0.453 326 D N -1.593 118.835 120.400 0.047 0.000 2.339 326 D HA 0.004 4.644 4.640 0.000 0.000 0.217 326 D C 0.072 176.393 176.300 0.036 0.000 1.050 326 D CA 0.072 54.085 54.000 0.021 0.000 0.856 326 D CB -0.226 40.566 40.800 -0.013 0.000 0.922 326 D HN 0.226 nan 8.370 nan 0.000 0.518 327 N N 0.614 119.355 118.700 0.068 0.000 2.685 327 N HA 0.154 4.894 4.740 0.000 0.000 0.252 327 N C -1.980 173.567 175.510 0.062 0.000 1.261 327 N CA -0.284 52.806 53.050 0.067 0.000 0.768 327 N CB 1.393 39.936 38.487 0.093 0.000 1.304 327 N HN -0.200 nan 8.380 nan 0.000 0.536 328 V N 4.206 124.143 119.914 0.040 0.000 2.448 328 V HA 0.563 4.683 4.120 0.000 0.000 0.295 328 V C -1.628 174.478 176.094 0.019 0.000 1.025 328 V CA -1.171 61.146 62.300 0.028 0.000 0.859 328 V CB 1.531 33.368 31.823 0.023 0.000 0.988 328 V HN 0.457 nan 8.190 nan 0.000 0.431 329 P HA 0.248 nan 4.420 nan 0.000 0.274 329 P C -0.690 176.612 177.300 0.003 0.000 1.256 329 P CA -0.610 62.493 63.100 0.005 0.000 0.795 329 P CB 0.654 32.351 31.700 -0.005 0.000 1.038 330 Q N -0.159 119.642 119.800 0.003 0.000 2.364 330 Q HA 0.217 4.557 4.340 0.000 0.000 0.267 330 Q C -0.504 175.496 176.000 0.001 0.000 0.999 330 Q CA 0.094 55.901 55.803 0.007 0.000 0.886 330 Q CB 0.678 29.424 28.738 0.014 0.000 1.243 330 Q HN 0.195 nan 8.270 nan 0.000 0.415 331 V N 1.836 121.755 119.914 0.009 0.000 2.407 331 V HA 0.492 4.612 4.120 0.000 0.000 0.291 331 V C -0.108 176.001 176.094 0.024 0.000 1.018 331 V CA -0.341 61.964 62.300 0.009 0.000 0.842 331 V CB 1.617 33.443 31.823 0.006 0.000 0.996 331 V HN 0.775 nan 8.190 nan 0.000 0.426 332 S N 2.294 118.018 115.700 0.040 0.000 2.625 332 S HA 0.517 4.987 4.470 0.000 0.000 0.271 332 S C -0.405 174.253 174.600 0.096 0.000 1.161 332 S CA -0.199 58.039 58.200 0.064 0.000 0.820 332 S CB 2.138 65.388 63.200 0.082 0.000 1.137 332 S HN 0.886 nan 8.310 nan 0.000 0.470 333 D N 0.673 121.120 120.400 0.078 0.000 2.398 333 D HA 0.443 5.084 4.640 0.000 0.000 0.210 333 D C 0.085 176.396 176.300 0.018 0.000 1.094 333 D CA 0.022 54.059 54.000 0.062 0.000 0.839 333 D CB 0.423 41.232 40.800 0.016 0.000 0.963 333 D HN 0.564 nan 8.370 nan 0.000 0.506 334 A N 0.283 123.131 122.820 0.047 0.000 2.393 334 A HA 0.724 5.044 4.320 0.000 0.000 0.306 334 A C -1.255 176.368 177.584 0.066 0.000 1.050 334 A CA -0.919 51.075 52.037 -0.072 0.000 0.724 334 A CB 1.189 20.155 19.000 -0.055 0.000 1.248 334 A HN 0.273 nan 8.150 nan 0.000 0.424 335 F N -0.581 119.348 119.950 -0.034 0.000 2.693 335 F HA 0.663 5.190 4.527 0.000 0.000 0.309 335 F C -1.178 174.622 175.800 0.001 0.000 1.129 335 F CA -1.256 56.736 58.000 -0.015 0.000 0.948 335 F CB 0.623 39.612 39.000 -0.018 0.000 1.315 335 F HN 0.348 nan 8.300 nan 0.000 0.447 336 D N 1.286 121.828 120.400 0.236 0.000 2.313 336 D HA 0.732 5.372 4.640 0.000 0.000 0.247 336 D C -0.230 176.259 176.300 0.314 0.000 1.094 336 D CA 0.346 54.448 54.000 0.169 0.000 0.925 336 D CB 1.761 42.628 40.800 0.112 0.000 1.188 336 D HN 1.013 nan 8.370 nan 0.000 0.430 340 V N 3.363 123.264 119.914 -0.021 0.000 2.320 340 V HA 0.210 4.330 4.120 0.000 0.000 0.265 340 V C 0.301 176.427 176.094 0.053 0.000 1.048 340 V CA -0.230 62.083 62.300 0.022 0.000 0.865 340 V CB 0.988 32.789 31.823 -0.037 0.000 1.043 340 V HN 0.622 nan 8.190 nan 0.000 0.474 344 E N 0.795 121.044 120.200 0.082 0.000 2.051 344 E HA -0.110 4.241 4.350 0.000 0.000 0.192 344 E C 0.537 177.248 176.600 0.185 0.000 0.991 344 E CA 1.368 57.836 56.400 0.113 0.000 0.799 344 E CB 0.083 29.823 29.700 0.065 0.000 0.748 344 E HN 0.624 nan 8.360 nan 0.000 0.449 345 E N 1.310 121.638 120.200 0.213 0.000 2.465 345 E HA 0.007 4.357 4.350 0.000 0.000 0.260 345 E C -2.163 174.673 176.600 0.392 0.000 0.980 345 E CA -1.321 55.229 56.400 0.250 0.000 0.927 345 E CB 0.652 30.498 29.700 0.243 0.000 0.934 345 E HN 0.145 nan 8.360 nan 0.000 0.459 349 P HA 0.167 nan 4.420 nan 0.000 0.264 349 P C 0.915 178.212 177.300 -0.006 0.000 1.193 349 P CA 1.223 64.318 63.100 -0.009 0.000 0.763 349 P CB 1.318 32.996 31.700 -0.037 0.000 0.810 350 G N 2.214 111.016 108.800 0.004 0.000 2.279 350 G HA2 -0.233 3.727 3.960 0.000 0.000 0.223 350 G HA3 -0.233 3.727 3.960 0.000 0.000 0.223 350 G C 0.282 175.161 174.900 -0.034 0.000 1.015 350 G CA 0.051 45.141 45.100 -0.017 0.000 0.621 350 G HN 0.732 nan 8.290 nan 0.000 0.506 351 K N 1.626 121.999 120.400 -0.046 0.000 2.412 351 K HA 0.301 4.621 4.320 0.000 0.000 0.281 351 K C 0.204 176.647 176.600 -0.262 0.000 1.027 351 K CA -0.325 55.857 56.287 -0.176 0.000 0.989 351 K CB 0.282 32.629 32.500 -0.255 0.000 0.935 351 K HN 0.015 nan 8.250 nan 0.000 0.475 352 K N 3.716 123.961 120.400 -0.259 0.000 2.379 352 K HA 0.070 4.390 4.320 0.000 0.000 0.284 352 K C -0.837 175.554 176.600 -0.348 0.000 1.044 352 K CA 0.348 56.521 56.287 -0.190 0.000 0.974 352 K CB 0.334 32.770 32.500 -0.107 0.000 0.962 352 K HN 0.419 nan 8.250 nan 0.000 0.474 353 Y N 0.228 120.542 120.300 0.022 0.000 2.662 353 Y HA 0.242 4.792 4.550 0.000 0.000 0.335 353 Y C 0.037 175.927 175.900 -0.016 0.000 1.066 353 Y CA -1.008 57.114 58.100 0.037 0.000 1.116 353 Y CB 1.374 39.885 38.460 0.085 0.000 1.308 353 Y HN 0.436 nan 8.280 nan 0.000 0.502 354 D N 1.284 121.771 120.400 0.145 0.000 2.233 354 D HA 0.369 5.009 4.640 0.000 0.000 0.240 354 D C -0.831 175.383 176.300 -0.143 0.000 1.074 354 D CA -0.172 53.772 54.000 -0.093 0.000 0.838 354 D CB 1.258 41.971 40.800 -0.145 0.000 1.124 354 D HN 0.206 nan 8.370 nan 0.000 0.475 355 I N 2.140 122.565 120.570 -0.242 0.000 2.307 355 I HA 0.184 4.354 4.170 0.000 0.000 0.289 355 I C 0.485 176.454 176.117 -0.247 0.000 1.021 355 I CA -0.509 60.699 61.300 -0.153 0.000 1.224 355 I CB 0.612 38.516 38.000 -0.159 0.000 1.376 355 I HN 0.113 nan 8.210 nan 0.000 0.470 356 K N 6.606 126.954 120.400 -0.087 0.000 2.292 356 K HA 0.264 4.584 4.320 0.000 0.000 0.270 356 K C 0.902 177.582 176.600 0.134 0.000 1.062 356 K CA -0.522 55.786 56.287 0.035 0.000 0.916 356 K CB 1.375 33.989 32.500 0.190 0.000 1.166 356 K HN 0.482 nan 8.250 nan 0.000 0.458 357 R N 2.867 123.427 120.500 0.101 0.000 2.062 357 R HA 0.040 4.380 4.340 0.000 0.000 0.213 357 R C 1.030 177.399 176.300 0.114 0.000 1.214 357 R CA 1.793 57.972 56.100 0.132 0.000 0.951 357 R CB -0.289 30.034 30.300 0.038 0.000 0.804 357 R HN 0.700 nan 8.270 nan 0.000 0.473 358 A N -0.913 121.948 122.820 0.068 0.000 2.213 358 A HA 0.042 4.362 4.320 0.000 0.000 0.220 358 A C 1.733 179.348 177.584 0.052 0.000 2.232 358 A CA 0.921 52.986 52.037 0.047 0.000 1.017 358 A CB -0.610 18.395 19.000 0.008 0.000 1.372 358 A HN 0.564 nan 8.150 nan 0.000 0.614 359 T N -2.134 112.437 114.554 0.029 0.000 3.040 359 T HA 0.228 4.578 4.350 0.000 0.000 0.250 359 T C 0.436 175.181 174.700 0.075 0.000 1.058 359 T CA 0.553 62.678 62.100 0.042 0.000 0.988 359 T CB -0.144 68.723 68.868 -0.002 0.000 0.993 359 T HN 0.123 nan 8.240 nan 0.000 0.519 360 S N 1.909 117.649 115.700 0.067 0.000 2.481 360 S HA 0.387 4.857 4.470 0.000 0.000 0.276 360 S C -1.217 173.462 174.600 0.131 0.000 1.247 360 S CA -0.577 57.669 58.200 0.076 0.000 1.053 360 S CB -0.019 63.197 63.200 0.027 0.000 0.925 360 S HN 0.525 nan 8.310 nan 0.000 0.491 361 Y N 3.681 123.993 120.300 0.019 0.000 2.376 361 Y HA 0.535 5.085 4.550 0.000 0.000 0.326 361 Y C -1.055 174.861 175.900 0.027 0.000 0.970 361 Y CA -0.580 57.538 58.100 0.030 0.000 1.248 361 Y CB 0.716 39.194 38.460 0.030 0.000 1.117 361 Y HN 0.389 nan 8.280 nan 0.000 0.476 362 V N 8.409 128.215 119.914 -0.181 0.000 2.569 362 V HA 0.419 4.539 4.120 0.000 0.000 0.301 362 V C -2.358 173.634 176.094 -0.170 0.000 1.044 362 V CA -1.990 60.255 62.300 -0.092 0.000 0.874 362 V CB 1.966 33.768 31.823 -0.035 0.000 1.002 362 V HN 0.634 nan 8.190 nan 0.000 0.424 363 P HA 0.478 nan 4.420 nan 0.000 0.271 363 P C 0.086 177.362 177.300 -0.040 0.000 1.218 363 P CA 0.547 63.610 63.100 -0.062 0.000 0.780 363 P CB 1.581 33.280 31.700 -0.001 0.000 0.901 364 G N 0.356 109.145 108.800 -0.018 0.000 2.428 364 G HA2 0.544 4.504 3.960 0.000 0.000 0.305 364 G HA3 0.544 4.504 3.960 0.000 0.000 0.305 364 G C -1.393 173.527 174.900 0.033 0.000 1.260 364 G CA -0.236 44.853 45.100 -0.019 0.000 0.853 364 G HN 0.723 nan 8.290 nan 0.000 0.480 365 S N -1.550 114.158 115.700 0.013 0.000 2.671 365 S HA 0.737 5.207 4.470 0.000 0.000 0.277 365 S C -1.403 173.206 174.600 0.015 0.000 1.165 365 S CA -0.739 57.511 58.200 0.082 0.000 0.822 365 S CB 1.730 64.954 63.200 0.040 0.000 1.150 365 S HN 0.717 nan 8.310 nan 0.000 0.479 366 I N 1.999 122.603 120.570 0.056 0.000 2.325 366 I HA 0.510 4.680 4.170 0.000 0.000 0.291 366 I C 1.301 177.398 176.117 -0.034 0.000 1.019 366 I CA -0.270 61.017 61.300 -0.022 0.000 1.302 366 I CB 1.093 39.084 38.000 -0.015 0.000 1.401 366 I HN 0.957 nan 8.210 nan 0.000 0.485 367 A N 4.557 127.336 122.820 -0.069 0.000 1.897 367 A HA 0.103 4.423 4.320 0.000 0.000 0.215 367 A C 0.916 178.471 177.584 -0.050 0.000 1.181 367 A CA 1.479 53.480 52.037 -0.059 0.000 0.620 367 A CB -0.221 18.736 19.000 -0.072 0.000 0.821 367 A HN 0.727 nan 8.150 nan 0.000 0.443 368 S N -2.241 113.425 115.700 -0.057 0.000 2.565 368 S HA 0.630 5.100 4.470 0.000 0.000 0.269 368 S C -1.024 173.540 174.600 -0.061 0.000 1.153 368 S CA -0.725 57.444 58.200 -0.051 0.000 0.835 368 S CB 0.688 63.863 63.200 -0.041 0.000 1.122 368 S HN 0.249 nan 8.310 nan 0.000 0.462 369 I N 2.642 123.176 120.570 -0.061 0.000 2.297 369 I HA 0.259 4.429 4.170 0.000 0.000 0.291 369 I C 1.214 177.294 176.117 -0.063 0.000 1.033 369 I CA -0.545 60.710 61.300 -0.074 0.000 1.253 369 I CB 1.368 39.322 38.000 -0.077 0.000 1.396 369 I HN 0.830 nan 8.210 nan 0.000 0.476 370 T N 4.612 119.109 114.554 -0.094 0.000 2.737 370 T HA -0.097 4.253 4.350 0.000 0.000 0.265 370 T C 0.395 175.103 174.700 0.013 0.000 1.038 370 T CA 1.375 63.440 62.100 -0.057 0.000 1.144 370 T CB -0.193 68.624 68.868 -0.086 0.000 0.866 370 T HN 0.739 nan 8.240 nan 0.000 0.434 371 H N -0.832 118.238 119.070 0.001 0.000 3.003 371 H HA 0.543 5.099 4.556 0.000 0.000 0.327 371 H C -1.256 174.070 175.328 -0.003 0.000 1.353 371 H CA -1.164 54.882 56.048 -0.004 0.000 1.142 371 H CB 1.446 31.208 29.762 0.000 0.000 1.864 371 H HN 0.073 nan 8.280 nan 0.000 0.529 372 R N 1.997 122.616 120.500 0.198 0.000 2.387 372 R HA 0.469 4.809 4.340 0.000 0.000 0.314 372 R C -1.353 175.056 176.300 0.181 0.000 0.958 372 R CA -0.721 55.462 56.100 0.138 0.000 0.846 372 R CB 1.680 32.007 30.300 0.046 0.000 1.147 372 R HN 0.374 nan 8.270 nan 0.000 0.447 373 V N 4.145 124.165 119.914 0.177 0.000 2.408 373 V HA 0.028 4.148 4.120 0.000 0.000 0.267 373 V C 0.146 176.215 176.094 -0.041 0.000 1.047 373 V CA -0.322 62.006 62.300 0.045 0.000 0.937 373 V CB 0.994 32.832 31.823 0.025 0.000 0.999 373 V HN 0.800 nan 8.190 nan 0.000 0.472 374 D N 3.709 124.062 120.400 -0.077 0.000 2.382 374 D HA 0.107 4.747 4.640 0.000 0.000 0.259 374 D C 1.187 177.397 176.300 -0.150 0.000 1.224 374 D CA -0.077 53.872 54.000 -0.086 0.000 0.894 374 D CB 1.413 42.168 40.800 -0.075 0.000 1.127 374 D HN 0.431 nan 8.370 nan 0.000 0.487 375 V N 1.958 121.801 119.914 -0.119 0.000 2.594 375 V HA -0.167 3.953 4.120 0.000 0.000 0.253 375 V C 1.430 177.444 176.094 -0.133 0.000 1.069 375 V CA 1.223 63.438 62.300 -0.141 0.000 1.082 375 V CB -0.534 31.276 31.823 -0.021 0.000 0.680 375 V HN 0.476 nan 8.190 nan 0.000 0.469 376 N N 1.368 120.002 118.700 -0.110 0.000 2.290 376 N HA -0.039 4.701 4.740 0.000 0.000 0.179 376 N C 1.952 177.400 175.510 -0.103 0.000 1.016 376 N CA 2.035 55.021 53.050 -0.106 0.000 0.871 376 N CB -0.202 38.228 38.487 -0.095 0.000 0.987 376 N HN 0.825 nan 8.380 nan 0.000 0.431 377 T N -2.357 112.137 114.554 -0.100 0.000 2.990 377 T HA 0.247 4.597 4.350 0.000 0.000 0.250 377 T C 0.711 175.365 174.700 -0.077 0.000 1.041 377 T CA -0.169 61.886 62.100 -0.075 0.000 1.010 377 T CB 0.369 69.198 68.868 -0.065 0.000 1.003 377 T HN -0.045 nan 8.240 nan 0.000 0.499 378 L N 1.244 122.377 121.223 -0.150 0.000 3.898 378 L HA -0.130 4.210 4.340 0.000 0.000 0.407 378 L C -0.229 176.550 176.870 -0.152 0.000 1.207 378 L CA 0.921 55.636 54.840 -0.208 0.000 0.931 378 L CB -2.018 39.984 42.059 -0.095 0.000 2.014 378 L HN 0.759 nan 8.230 nan 0.000 0.858 379 E N -1.876 118.242 120.200 -0.137 0.000 2.299 379 E HA 0.749 5.099 4.350 0.000 0.000 0.265 379 E C -0.442 176.063 176.600 -0.159 0.000 0.911 379 E CA -1.094 55.229 56.400 -0.128 0.000 0.789 379 E CB 0.971 30.617 29.700 -0.089 0.000 1.246 379 E HN 0.131 nan 8.360 nan 0.000 0.427 380 E N 0.845 120.910 120.200 -0.226 0.000 2.354 380 E HA 0.505 4.855 4.350 0.000 0.000 0.269 380 E C -0.124 176.398 176.600 -0.129 0.000 1.036 380 E CA -0.481 55.721 56.400 -0.331 0.000 0.876 380 E CB 1.221 30.601 29.700 -0.534 0.000 1.009 380 E HN 0.689 nan 8.360 nan 0.000 0.416 381 G N 2.656 111.438 108.800 -0.030 0.000 2.753 381 G HA2 0.412 4.372 3.960 0.000 0.000 0.295 381 G HA3 0.412 4.372 3.960 0.000 0.000 0.295 381 G C -2.891 172.044 174.900 0.058 0.000 1.437 381 G CA -1.229 43.876 45.100 0.008 0.000 1.094 381 G HN 0.204 nan 8.290 nan 0.000 0.540 382 P HA 0.432 nan 4.420 nan 0.000 0.269 382 P C -0.224 177.086 177.300 0.016 0.000 1.209 382 P CA 0.114 63.235 63.100 0.036 0.000 0.776 382 P CB 1.703 33.414 31.700 0.017 0.000 0.876 383 A N 1.747 124.569 122.820 0.005 0.000 2.612 383 A HA 0.537 4.858 4.320 0.000 0.000 0.293 383 A C 0.225 177.789 177.584 -0.034 0.000 1.075 383 A CA -0.250 51.776 52.037 -0.018 0.000 0.680 383 A CB 0.805 19.791 19.000 -0.023 0.000 1.279 383 A HN 0.446 nan 8.150 nan 0.000 0.411 384 S N -0.666 115.007 115.700 -0.046 0.000 2.730 384 S HA 0.578 5.048 4.470 0.000 0.000 0.244 384 S C 0.164 174.716 174.600 -0.081 0.000 1.022 384 S CA 0.446 58.613 58.200 -0.055 0.000 1.014 384 S CB -0.021 63.154 63.200 -0.042 0.000 0.963 384 S HN 1.636 nan 8.310 nan 0.000 0.540 385 S N 0.452 116.092 115.700 -0.100 0.000 2.537 385 S HA 0.676 5.146 4.470 0.000 0.000 0.271 385 S C -1.906 172.583 174.600 -0.184 0.000 1.148 385 S CA -0.729 57.381 58.200 -0.150 0.000 0.868 385 S CB 1.189 64.319 63.200 -0.116 0.000 1.115 385 S HN 0.403 nan 8.310 nan 0.000 0.461 386 L N 4.026 125.057 121.223 -0.320 0.000 2.356 386 L HA 0.548 4.888 4.340 0.000 0.000 0.277 386 L C -0.092 176.544 176.870 -0.391 0.000 0.996 386 L CA -0.811 53.829 54.840 -0.333 0.000 0.822 386 L CB 1.832 43.661 42.059 -0.383 0.000 1.256 386 L HN 0.622 nan 8.230 nan 0.000 0.413 387 Q N 1.588 121.316 119.800 -0.120 0.000 2.171 387 Q HA 0.375 4.715 4.340 0.000 0.000 0.217 387 Q C -0.376 175.775 176.000 0.252 0.000 0.995 387 Q CA -1.103 54.714 55.803 0.022 0.000 0.979 387 Q CB 1.732 30.487 28.738 0.028 0.000 1.152 387 Q HN 0.387 nan 8.270 nan 0.000 0.525 388 L N 1.639 123.031 121.223 0.282 0.000 2.559 388 L HA -0.135 4.205 4.340 0.000 0.000 0.282 388 L C 0.129 177.092 176.870 0.155 0.000 1.232 388 L CA 1.228 56.217 54.840 0.248 0.000 0.885 388 L CB -0.579 41.556 42.059 0.126 0.000 1.131 388 L HN 0.765 nan 8.230 nan 0.000 0.498 389 N N 0.585 119.361 118.700 0.127 0.000 2.778 389 N HA -0.218 4.522 4.740 0.000 0.000 0.249 389 N C -0.773 174.800 175.510 0.104 0.000 1.069 389 N CA 1.180 54.282 53.050 0.087 0.000 0.831 389 N CB -0.788 37.729 38.487 0.050 0.000 1.142 389 N HN 0.749 nan 8.380 nan 0.000 0.573 390 E N 0.303 120.591 120.200 0.147 0.000 2.242 390 E HA 0.564 4.914 4.350 0.000 0.000 0.275 390 E C -0.178 176.501 176.600 0.132 0.000 1.002 390 E CA -0.428 56.040 56.400 0.114 0.000 0.841 390 E CB 1.522 31.269 29.700 0.078 0.000 1.109 390 E HN 0.155 nan 8.360 nan 0.000 0.394 391 I N 1.001 121.635 120.570 0.106 0.000 2.509 391 I HA 0.604 4.774 4.170 0.000 0.000 0.293 391 I C 0.177 176.351 176.117 0.096 0.000 1.020 391 I CA -0.616 60.755 61.300 0.119 0.000 1.088 391 I CB 2.185 40.296 38.000 0.185 0.000 1.267 391 I HN 0.550 nan 8.210 nan 0.000 0.430 392 G N 3.757 112.593 108.800 0.060 0.000 2.677 392 G HA2 0.447 4.407 3.960 0.000 0.000 0.291 392 G HA3 0.447 4.407 3.960 0.000 0.000 0.291 392 G C -1.820 173.015 174.900 -0.109 0.000 1.435 392 G CA -0.845 44.248 45.100 -0.012 0.000 0.826 392 G HN 0.551 nan 8.290 nan 0.000 0.491 393 R N -0.003 120.275 120.500 -0.370 0.000 2.265 393 R HA 0.555 4.895 4.340 0.000 0.000 0.314 393 R C -0.099 176.077 176.300 -0.206 0.000 1.053 393 R CA -0.306 55.602 56.100 -0.321 0.000 0.931 393 R CB 0.840 30.817 30.300 -0.537 0.000 1.024 393 R HN 0.622 nan 8.270 nan 0.000 0.457 394 V N 1.023 120.887 119.914 -0.083 0.000 2.864 394 V HA 0.575 4.695 4.120 0.000 0.000 0.314 394 V C -0.867 175.196 176.094 -0.051 0.000 1.073 394 V CA -1.220 61.044 62.300 -0.060 0.000 0.956 394 V CB 1.938 33.745 31.823 -0.027 0.000 1.023 394 V HN 0.595 nan 8.190 nan 0.000 0.435 395 K N 2.055 122.408 120.400 -0.079 0.000 2.253 395 K HA 0.690 5.010 4.320 0.000 0.000 0.277 395 K C -0.908 175.576 176.600 -0.194 0.000 1.053 395 K CA -0.233 55.986 56.287 -0.113 0.000 0.892 395 K CB 1.288 33.736 32.500 -0.086 0.000 1.102 395 K HN 0.735 nan 8.250 nan 0.000 0.469 396 V N 2.340 122.026 119.914 -0.380 0.000 2.532 396 V HA 0.477 4.598 4.120 0.000 0.000 0.295 396 V C -0.283 175.475 176.094 -0.560 0.000 1.041 396 V CA -0.756 61.205 62.300 -0.566 0.000 0.926 396 V CB 1.660 32.865 31.823 -1.030 0.000 0.992 396 V HN 0.746 nan 8.190 nan 0.000 0.457 397 S N 4.792 120.279 115.700 -0.354 0.000 2.532 397 S HA 0.813 5.283 4.470 0.000 0.000 0.299 397 S C -1.052 173.442 174.600 -0.177 0.000 1.105 397 S CA -0.580 57.480 58.200 -0.233 0.000 1.018 397 S CB 0.831 63.950 63.200 -0.135 0.000 1.021 397 S HN 0.553 nan 8.310 nan 0.000 0.483 398 L N 3.091 124.240 121.223 -0.124 0.000 2.319 398 L HA 0.575 4.915 4.340 0.000 0.000 0.267 398 L C 0.285 177.133 176.870 -0.037 0.000 1.011 398 L CA -1.011 53.788 54.840 -0.067 0.000 0.818 398 L CB 1.401 43.444 42.059 -0.026 0.000 1.316 398 L HN 0.526 nan 8.230 nan 0.000 0.432 399 D N 0.771 121.157 120.400 -0.024 0.000 2.224 399 D HA 0.107 4.747 4.640 0.000 0.000 0.205 399 D C 0.314 176.612 176.300 -0.002 0.000 0.965 399 D CA 0.873 54.867 54.000 -0.011 0.000 0.852 399 D CB 0.341 41.139 40.800 -0.003 0.000 0.947 399 D HN 0.540 nan 8.370 nan 0.000 0.494 400 A N 0.092 122.913 122.820 0.003 0.000 2.572 400 A HA 0.577 4.897 4.320 0.000 0.000 0.295 400 A C -2.745 174.850 177.584 0.017 0.000 1.072 400 A CA -1.310 50.733 52.037 0.010 0.000 0.691 400 A CB 1.581 20.590 19.000 0.015 0.000 1.291 400 A HN -0.205 nan 8.150 nan 0.000 0.404 401 P HA 0.496 nan 4.420 nan 0.000 0.275 401 P C -0.620 176.693 177.300 0.023 0.000 1.227 401 P CA 0.111 63.228 63.100 0.029 0.000 0.781 401 P CB 0.716 32.430 31.700 0.023 0.000 0.906 402 I N -0.987 119.598 120.570 0.025 0.000 2.797 402 I HA 0.785 4.955 4.170 0.000 0.000 0.307 402 I C -0.246 175.859 176.117 -0.021 0.000 1.033 402 I CA -1.718 59.580 61.300 -0.004 0.000 1.071 402 I CB 2.170 40.155 38.000 -0.025 0.000 1.255 402 I HN 0.223 nan 8.210 nan 0.000 0.445 403 A N 5.058 127.861 122.820 -0.029 0.000 2.477 403 A HA 0.615 4.935 4.320 0.000 0.000 0.246 403 A C -0.397 177.145 177.584 -0.070 0.000 1.078 403 A CA -0.140 51.876 52.037 -0.035 0.000 0.770 403 A CB -0.014 18.971 19.000 -0.025 0.000 1.011 403 A HN 0.721 nan 8.150 nan 0.000 0.494 404 L N -0.205 120.972 121.223 -0.077 0.000 2.393 404 L HA 0.856 5.196 4.340 0.000 0.000 0.260 404 L C -0.904 175.918 176.870 -0.080 0.000 1.002 404 L CA -0.738 54.026 54.840 -0.128 0.000 0.818 404 L CB 2.015 43.928 42.059 -0.245 0.000 1.369 404 L HN 0.464 nan 8.230 nan 0.000 0.412 405 D N 0.273 120.625 120.400 -0.079 0.000 2.732 405 D HA 0.468 5.108 4.640 0.000 0.000 0.229 405 D C -0.522 175.768 176.300 -0.018 0.000 1.152 405 D CA -0.384 53.594 54.000 -0.036 0.000 0.854 405 D CB 2.628 43.412 40.800 -0.026 0.000 1.590 405 D HN 1.011 nan 8.370 nan 0.000 0.468 406 G N 0.500 109.306 108.800 0.010 0.000 2.380 406 G HA2 -0.101 3.859 3.960 0.000 0.000 0.242 406 G HA3 -0.101 3.859 3.960 0.000 0.000 0.242 406 G C 0.601 175.546 174.900 0.074 0.000 1.298 406 G CA 0.128 45.259 45.100 0.052 0.000 0.878 406 G HN 0.534 nan 8.290 nan 0.000 0.542 407 Y N 2.127 122.422 120.300 -0.008 0.000 2.315 407 Y HA -0.245 4.305 4.550 0.000 0.000 0.288 407 Y C 2.795 178.688 175.900 -0.013 0.000 1.154 407 Y CA 2.253 60.345 58.100 -0.013 0.000 1.229 407 Y CB 0.130 38.580 38.460 -0.017 0.000 0.980 407 Y HN 0.573 nan 8.280 nan 0.000 0.540 408 S N -2.297 113.406 115.700 0.005 0.000 2.489 408 S HA -0.075 4.395 4.470 0.000 0.000 0.228 408 S C 1.888 176.439 174.600 -0.082 0.000 0.995 408 S CA 0.990 59.155 58.200 -0.058 0.000 0.934 408 S CB -0.384 62.830 63.200 0.024 0.000 0.771 408 S HN 0.351 nan 8.310 nan 0.000 0.522 409 S N 1.505 117.168 115.700 -0.062 0.000 2.441 409 S HA 0.235 4.705 4.470 0.000 0.000 0.224 409 S C 0.577 175.122 174.600 -0.091 0.000 1.043 409 S CA -0.086 58.081 58.200 -0.055 0.000 0.948 409 S CB -0.203 62.983 63.200 -0.022 0.000 0.810 409 S HN 0.652 nan 8.310 nan 0.000 0.504 410 N N 0.342 118.969 118.700 -0.121 0.000 2.454 410 N HA 0.259 4.999 4.740 0.000 0.000 0.291 410 N C -0.084 175.297 175.510 -0.215 0.000 1.079 410 N CA -0.215 52.754 53.050 -0.135 0.000 0.893 410 N CB 1.413 39.858 38.487 -0.070 0.000 1.512 410 N HN -0.008 nan 8.380 nan 0.000 0.497 411 R N 1.341 121.674 120.500 -0.277 0.000 2.235 411 R HA 0.017 4.357 4.340 0.000 0.000 0.213 411 R C 0.888 177.160 176.300 -0.046 0.000 1.059 411 R CA 1.434 57.315 56.100 -0.364 0.000 0.997 411 R CB 0.426 30.550 30.300 -0.294 0.000 0.884 411 R HN 0.517 nan 8.270 nan 0.000 0.462 412 T N -1.108 113.429 114.554 -0.027 0.000 2.898 412 T HA -0.073 4.278 4.350 0.000 0.000 0.241 412 T C 1.634 176.362 174.700 0.047 0.000 1.024 412 T CA 1.455 63.568 62.100 0.022 0.000 1.174 412 T CB -0.099 68.760 68.868 -0.014 0.000 0.873 412 T HN 0.394 nan 8.240 nan 0.000 0.422 413 T N -0.096 114.466 114.554 0.012 0.000 3.163 413 T HA 0.154 4.504 4.350 0.000 0.000 0.260 413 T C 1.759 176.474 174.700 0.024 0.000 1.156 413 T CA 0.878 62.981 62.100 0.006 0.000 1.072 413 T CB -0.295 68.559 68.868 -0.023 0.000 0.937 413 T HN 0.362 nan 8.240 nan 0.000 0.528 414 G N 0.123 108.980 108.800 0.095 0.000 3.159 414 G HA2 0.583 4.543 3.960 0.000 0.000 0.232 414 G HA3 0.583 4.543 3.960 0.000 0.000 0.232 414 G C 0.338 175.420 174.900 0.302 0.000 1.116 414 G CA 0.031 45.235 45.100 0.174 0.000 0.767 414 G HN 0.772 nan 8.290 nan 0.000 0.547 415 A N 0.443 123.430 122.820 0.279 0.000 2.324 415 A HA 0.862 5.182 4.320 0.000 0.000 0.330 415 A C -0.861 176.829 177.584 0.177 0.000 1.165 415 A CA -0.752 51.375 52.037 0.150 0.000 0.813 415 A CB 0.793 19.913 19.000 0.200 0.000 1.197 415 A HN 0.755 nan 8.150 nan 0.000 0.484 416 F N 0.391 120.323 119.950 -0.030 0.000 2.686 416 F HA 0.774 5.301 4.527 0.000 0.000 0.311 416 F C -0.962 174.822 175.800 -0.027 0.000 1.128 416 F CA -1.385 56.606 58.000 -0.015 0.000 0.946 416 F CB 1.116 40.119 39.000 0.005 0.000 1.336 416 F HN 0.638 nan 8.300 nan 0.000 0.457 417 I N 0.610 121.283 120.570 0.172 0.000 2.530 417 I HA 0.828 4.998 4.170 0.000 0.000 0.297 417 I C -1.350 174.874 176.117 0.177 0.000 1.011 417 I CA -1.379 59.955 61.300 0.057 0.000 1.107 417 I CB 1.996 40.004 38.000 0.015 0.000 1.285 417 I HN 0.509 nan 8.210 nan 0.000 0.436 418 V N 6.489 126.446 119.914 0.072 0.000 2.407 418 V HA 0.455 4.575 4.120 0.000 0.000 0.278 418 V C 0.131 176.232 176.094 0.012 0.000 1.037 418 V CA -0.283 62.054 62.300 0.062 0.000 0.900 418 V CB 1.201 33.012 31.823 -0.019 0.000 0.983 418 V HN 0.544 nan 8.190 nan 0.000 0.459 419 I N 3.615 124.240 120.570 0.090 0.000 2.436 419 I HA 0.333 4.504 4.170 0.000 0.000 0.289 419 I C -0.030 176.222 176.117 0.225 0.000 1.010 419 I CA -0.461 60.912 61.300 0.122 0.000 1.098 419 I CB 1.804 39.887 38.000 0.138 0.000 1.266 419 I HN 0.581 nan 8.210 nan 0.000 0.434 420 D N 5.976 126.507 120.400 0.219 0.000 2.390 420 D HA 0.088 4.728 4.640 0.000 0.000 0.249 420 D C 0.892 177.278 176.300 0.144 0.000 1.144 420 D CA 0.017 54.162 54.000 0.241 0.000 0.880 420 D CB 1.162 42.082 40.800 0.199 0.000 1.182 420 D HN 0.516 nan 8.370 nan 0.000 0.451 421 R N 2.893 123.452 120.500 0.098 0.000 2.193 421 R HA 0.040 4.380 4.340 0.000 0.000 0.213 421 R C 1.593 177.926 176.300 0.056 0.000 1.055 421 R CA 0.580 56.725 56.100 0.075 0.000 0.995 421 R CB 0.319 30.642 30.300 0.038 0.000 0.893 421 R HN 0.487 nan 8.270 nan 0.000 0.459 422 L N -0.536 120.714 121.223 0.045 0.000 2.470 422 L HA 0.083 4.423 4.340 0.000 0.000 0.219 422 L C 2.068 178.963 176.870 0.043 0.000 1.071 422 L CA 0.919 55.780 54.840 0.035 0.000 0.850 422 L CB 0.126 42.198 42.059 0.021 0.000 1.040 422 L HN 0.209 nan 8.230 nan 0.000 0.475 423 T N -5.111 109.477 114.554 0.056 0.000 3.001 423 T HA 0.103 4.453 4.350 0.000 0.000 0.251 423 T C 0.931 175.662 174.700 0.052 0.000 1.040 423 T CA 0.096 62.227 62.100 0.052 0.000 0.985 423 T CB 0.181 69.082 68.868 0.056 0.000 1.011 423 T HN 0.205 nan 8.240 nan 0.000 0.509 424 N N 0.771 119.511 118.700 0.066 0.000 2.900 424 N HA -0.111 4.630 4.740 0.000 0.000 0.240 424 N C 0.527 176.073 175.510 0.061 0.000 0.953 424 N CA 1.231 54.323 53.050 0.070 0.000 0.950 424 N CB -1.694 36.825 38.487 0.054 0.000 1.102 424 N HN 0.773 nan 8.380 nan 0.000 0.593 425 G N -0.125 108.704 108.800 0.048 0.000 2.527 425 G HA2 0.394 4.354 3.960 0.000 0.000 0.248 425 G HA3 0.394 4.354 3.960 0.000 0.000 0.248 425 G C -0.077 174.823 174.900 -0.000 0.000 1.231 425 G CA 0.189 45.300 45.100 0.018 0.000 0.838 425 G HN 0.101 nan 8.290 nan 0.000 0.570 426 T N 1.218 115.751 114.554 -0.034 0.000 2.739 426 T HA 0.268 4.619 4.350 0.000 0.000 0.298 426 T C 1.564 176.151 174.700 -0.189 0.000 0.929 426 T CA -0.180 61.875 62.100 -0.075 0.000 1.014 426 T CB 1.126 69.962 68.868 -0.053 0.000 0.914 426 T HN 0.613 nan 8.240 nan 0.000 0.509 427 V N 0.561 120.297 119.914 -0.298 0.000 3.307 427 V HA 0.722 4.842 4.120 0.000 0.000 0.253 427 V C 0.674 176.173 176.094 -0.991 0.000 1.149 427 V CA 0.219 62.136 62.300 -0.639 0.000 1.112 427 V CB -0.502 30.928 31.823 -0.655 0.000 0.777 427 V HN 0.847 nan 8.190 nan 0.000 0.464 428 A N -0.158 122.300 122.820 -0.602 0.000 2.574 428 A HA 0.904 5.225 4.320 0.000 0.000 0.297 428 A C -0.615 176.812 177.584 -0.262 0.000 1.062 428 A CA -0.105 51.672 52.037 -0.433 0.000 0.686 428 A CB 1.401 20.247 19.000 -0.257 0.000 1.285 428 A HN 1.259 nan 8.150 nan 0.000 0.403 429 A N 0.765 123.437 122.820 -0.246 0.000 2.276 429 A HA 0.800 5.120 4.320 0.000 0.000 0.316 429 A C 0.451 177.759 177.584 -0.460 0.000 1.229 429 A CA 0.220 52.072 52.037 -0.308 0.000 0.851 429 A CB 0.545 19.401 19.000 -0.239 0.000 1.165 429 A HN 2.018 nan 8.150 nan 0.000 0.513 433 I N 4.748 125.419 120.570 0.168 0.000 2.328 433 I HA 0.810 4.980 4.170 0.000 0.000 0.287 433 I C 0.248 176.431 176.117 0.110 0.000 1.012 433 I CA 0.048 61.425 61.300 0.129 0.000 1.195 433 I CB 1.302 39.374 38.000 0.121 0.000 1.350 433 I HN 0.732 nan 8.210 nan 0.000 0.464 434 A N 0.000 122.868 122.820 0.080 0.000 2.254 434 A HA 0.000 4.320 4.320 0.000 0.000 0.244 434 A CA 0.000 52.074 52.037 0.061 0.000 0.836 434 A CB 0.000 19.028 19.000 0.047 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486