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 2j0f_1_C DATA FIRST_RESID 34 DATA SEQUENCE KQLPELIRMK RDGGRLSEAD IRGFVAAVVN GSAQGAQIGA MLMAIRLRGM DATA SEQUENCE DLEETSVLTQ ALAQSGQQLE WPEAWRQQLV DKHSTGGVGD KVSLVLAPAL DATA SEQUENCE AACGCKVPMI SGRGLGHTGG TLDKLESIPG FNVIQSPEQM QVLLDQAGCC DATA SEQUENCE IVGQSEQLVP ADGILYAARD VTATVDSLPL ITASILSKKL VEGLSALVVD DATA SEQUENCE VKFGAGAVFP NQEQARELAK TLVGVGASLG LRVAAALTAM DKPLGRCVGH DATA SEQUENCE ALEVEEALLC MDGAGPPDLR DLVTTLGGAL LWLSGHAGTQ AQGAARVAAA DATA SEQUENCE LDDGSALGRF ERMLAAQGVD PGLARALCSG SPAERRQLLP RAREQEELLA DATA SEQUENCE PADGTVELVR ALPLALVLHE LGAGRSRAGE PLRLGVGAEL LVDVGQRLRR DATA SEQUENCE GTPWLRVHRD GPALSGPQSR ALQEALVLSD RAPFAAPLPF AELVLP 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.621 176.600 0.036 0.000 0.988 34 K CA 0.000 56.303 56.287 0.027 0.000 0.838 34 K CB 0.000 32.516 32.500 0.026 0.000 1.064 35 Q N 0.907 120.728 119.800 0.034 0.000 2.212 35 Q HA 0.328 4.667 4.340 -0.003 0.000 0.238 35 Q C 0.882 176.915 176.000 0.054 0.000 0.955 35 Q CA -0.495 55.333 55.803 0.041 0.000 0.906 35 Q CB 1.229 29.986 28.738 0.032 0.000 1.215 35 Q HN 0.464 nan 8.270 nan 0.000 0.478 36 L N 1.677 122.943 121.223 0.072 0.000 2.013 36 L HA -0.215 4.123 4.340 -0.003 0.000 0.212 36 L C -0.889 176.020 176.870 0.065 0.000 1.073 36 L CA 1.821 56.721 54.840 0.100 0.000 0.753 36 L CB -0.872 41.264 42.059 0.127 0.000 0.890 36 L HN 0.612 nan 8.230 nan 0.000 0.432 37 P HA -0.165 nan 4.420 nan 0.000 0.218 37 P C 1.326 178.637 177.300 0.019 0.000 1.149 37 P CA 1.139 64.257 63.100 0.030 0.000 0.817 37 P CB 0.024 31.740 31.700 0.026 0.000 0.785 38 E N -0.291 119.921 120.200 0.021 0.000 2.072 38 E HA -0.084 4.264 4.350 -0.003 0.000 0.190 38 E C 2.014 178.618 176.600 0.006 0.000 0.982 38 E CA 0.878 57.286 56.400 0.013 0.000 0.803 38 E CB -0.545 29.165 29.700 0.016 0.000 0.755 38 E HN 0.221 nan 8.360 nan 0.000 0.453 39 L N 0.539 121.770 121.223 0.014 0.000 2.012 39 L HA -0.213 4.125 4.340 -0.003 0.000 0.210 39 L C 2.603 179.445 176.870 -0.047 0.000 1.073 39 L CA 1.069 55.906 54.840 -0.006 0.000 0.748 39 L CB -0.491 41.584 42.059 0.026 0.000 0.891 39 L HN 0.135 nan 8.230 nan 0.000 0.431 40 I N -0.778 119.767 120.570 -0.041 0.000 2.226 40 I HA -0.284 3.884 4.170 -0.003 0.000 0.245 40 I C 2.899 178.991 176.117 -0.041 0.000 1.100 40 I CA 1.031 62.296 61.300 -0.059 0.000 1.374 40 I CB -0.481 37.503 38.000 -0.026 0.000 1.057 40 I HN 0.288 nan 8.210 nan 0.000 0.413 41 R N 1.409 121.896 120.500 -0.021 0.000 2.073 41 R HA -0.169 4.169 4.340 -0.003 0.000 0.234 41 R C 2.203 178.491 176.300 -0.020 0.000 1.134 41 R CA 1.837 57.929 56.100 -0.015 0.000 0.952 41 R CB -0.424 29.873 30.300 -0.005 0.000 0.850 41 R HN 0.324 nan 8.270 nan 0.000 0.433 42 M N 0.421 120.008 119.600 -0.022 0.000 2.080 42 M HA -0.214 4.264 4.480 -0.003 0.000 0.260 42 M C 2.389 178.671 176.300 -0.031 0.000 1.068 42 M CA 2.167 57.453 55.300 -0.022 0.000 1.109 42 M CB -0.283 32.304 32.600 -0.021 0.000 1.342 42 M HN -0.016 nan 8.290 nan 0.000 0.405 43 K N 0.246 120.617 120.400 -0.048 0.000 2.062 43 K HA -0.104 4.215 4.320 -0.003 0.000 0.205 43 K C 2.094 178.669 176.600 -0.043 0.000 1.051 43 K CA 1.095 57.348 56.287 -0.056 0.000 0.941 43 K CB -0.241 32.203 32.500 -0.094 0.000 0.719 43 K HN 0.048 nan 8.250 nan 0.000 0.440 44 R N 0.898 121.375 120.500 -0.039 0.000 2.119 44 R HA -0.176 4.163 4.340 -0.003 0.000 0.246 44 R C 0.405 176.694 176.300 -0.019 0.000 1.146 44 R CA 2.177 58.261 56.100 -0.026 0.000 0.962 44 R CB -0.555 29.732 30.300 -0.021 0.000 0.863 44 R HN 0.273 nan 8.270 nan 0.000 0.442 45 D N -0.985 119.404 120.400 -0.018 0.000 2.349 45 D HA 0.084 4.722 4.640 -0.003 0.000 0.224 45 D C 0.915 177.207 176.300 -0.013 0.000 1.029 45 D CA 1.011 55.003 54.000 -0.013 0.000 0.879 45 D CB 0.134 40.928 40.800 -0.010 0.000 0.906 45 D HN 0.571 nan 8.370 nan 0.000 0.528 46 G N 0.231 109.021 108.800 -0.017 0.000 2.136 46 G HA2 -0.193 3.766 3.960 -0.003 0.000 0.242 46 G HA3 -0.193 3.766 3.960 -0.003 0.000 0.242 46 G C 0.739 175.630 174.900 -0.015 0.000 0.989 46 G CA 0.032 45.123 45.100 -0.016 0.000 0.682 46 G HN 0.591 nan 8.290 nan 0.000 0.522 47 G N -0.846 107.944 108.800 -0.017 0.000 2.539 47 G HA2 0.526 4.484 3.960 -0.003 0.000 0.258 47 G HA3 0.526 4.484 3.960 -0.003 0.000 0.258 47 G C 0.192 175.081 174.900 -0.018 0.000 1.202 47 G CA -0.232 44.859 45.100 -0.015 0.000 0.851 47 G HN 0.505 nan 8.290 nan 0.000 0.556 48 R N 0.442 120.934 120.500 -0.013 0.000 2.390 48 R HA 0.330 4.669 4.340 -0.003 0.000 0.291 48 R C -0.290 176.003 176.300 -0.012 0.000 1.070 48 R CA -0.438 55.655 56.100 -0.012 0.000 1.014 48 R CB 0.406 30.703 30.300 -0.007 0.000 1.007 48 R HN 0.375 nan 8.270 nan 0.000 0.466 49 L N 3.455 124.670 121.223 -0.015 0.000 2.289 49 L HA 0.253 4.591 4.340 -0.003 0.000 0.285 49 L C 0.678 177.549 176.870 0.003 0.000 1.049 49 L CA -0.510 54.323 54.840 -0.010 0.000 0.804 49 L CB 1.696 43.742 42.059 -0.023 0.000 1.195 49 L HN 0.781 nan 8.230 nan 0.000 0.428 50 S N 0.947 116.652 115.700 0.009 0.000 2.608 50 S HA 0.026 4.495 4.470 -0.003 0.000 0.261 50 S C 0.984 175.597 174.600 0.022 0.000 1.314 50 S CA -0.299 57.910 58.200 0.014 0.000 0.992 50 S CB 1.099 64.307 63.200 0.014 0.000 0.935 50 S HN 0.792 nan 8.310 nan 0.000 0.564 51 E N 1.022 121.235 120.200 0.021 0.000 2.070 51 E HA -0.215 4.133 4.350 -0.003 0.000 0.197 51 E C 2.172 178.792 176.600 0.033 0.000 1.004 51 E CA 1.377 57.793 56.400 0.027 0.000 0.805 51 E CB -0.650 29.063 29.700 0.022 0.000 0.744 51 E HN 0.823 nan 8.360 nan 0.000 0.451 52 A N 1.333 124.171 122.820 0.029 0.000 1.883 52 A HA -0.237 4.082 4.320 -0.003 0.000 0.217 52 A C 1.842 179.453 177.584 0.045 0.000 1.186 52 A CA 1.942 53.999 52.037 0.032 0.000 0.624 52 A CB -0.604 18.411 19.000 0.025 0.000 0.822 52 A HN 0.309 nan 8.150 nan 0.000 0.444 53 D N 0.157 120.584 120.400 0.044 0.000 2.092 53 D HA -0.157 4.481 4.640 -0.003 0.000 0.193 53 D C 1.898 178.256 176.300 0.096 0.000 0.994 53 D CA 1.506 55.540 54.000 0.057 0.000 0.828 53 D CB -0.479 40.341 40.800 0.033 0.000 0.963 53 D HN 0.525 nan 8.370 nan 0.000 0.450 54 I N 0.775 121.396 120.570 0.085 0.000 2.163 54 I HA -0.274 3.894 4.170 -0.003 0.000 0.243 54 I C 2.582 178.792 176.117 0.154 0.000 1.085 54 I CA 1.214 62.590 61.300 0.127 0.000 1.347 54 I CB -0.176 37.874 38.000 0.084 0.000 1.044 54 I HN -0.074 nan 8.210 nan 0.000 0.408 55 R N 0.563 121.120 120.500 0.094 0.000 2.096 55 R HA -0.114 4.224 4.340 -0.003 0.000 0.235 55 R C 2.425 178.762 176.300 0.062 0.000 1.127 55 R CA 1.400 57.541 56.100 0.068 0.000 0.968 55 R CB -0.728 29.598 30.300 0.043 0.000 0.861 55 R HN 0.487 nan 8.270 nan 0.000 0.440 56 G N 0.793 109.640 108.800 0.079 0.000 2.421 56 G HA2 -0.303 3.656 3.960 -0.003 0.000 0.216 56 G HA3 -0.303 3.656 3.960 -0.003 0.000 0.216 56 G C 1.223 176.177 174.900 0.089 0.000 1.171 56 G CA 0.440 45.583 45.100 0.071 0.000 0.775 56 G HN 0.286 nan 8.290 nan 0.000 0.543 57 F N 1.394 121.351 119.950 0.011 0.000 2.095 57 F HA -0.096 4.430 4.527 -0.002 0.000 0.298 57 F C 2.639 178.448 175.800 0.015 0.000 1.104 57 F CA 1.505 59.513 58.000 0.013 0.000 1.232 57 F CB -0.406 38.603 39.000 0.014 0.000 0.987 57 F HN 0.006 nan 8.300 nan 0.000 0.475 58 V N 0.678 120.526 119.914 -0.111 0.000 2.343 58 V HA -0.301 3.818 4.120 -0.003 0.000 0.247 58 V C 2.790 178.774 176.094 -0.183 0.000 1.051 58 V CA 1.793 63.979 62.300 -0.190 0.000 1.036 58 V CB -1.549 30.274 31.823 0.000 0.000 0.654 58 V HN 0.517 nan 8.190 nan 0.000 0.451 59 A N -0.004 122.756 122.820 -0.100 0.000 1.908 59 A HA -0.162 4.156 4.320 -0.003 0.000 0.218 59 A C 2.420 179.940 177.584 -0.106 0.000 1.181 59 A CA 2.211 54.201 52.037 -0.077 0.000 0.627 59 A CB -0.808 18.171 19.000 -0.034 0.000 0.818 59 A HN 0.586 nan 8.150 nan 0.000 0.445 60 A N -0.710 122.028 122.820 -0.136 0.000 1.933 60 A HA 0.032 4.350 4.320 -0.003 0.000 0.218 60 A C 2.224 179.697 177.584 -0.186 0.000 1.175 60 A CA 1.675 53.633 52.037 -0.132 0.000 0.628 60 A CB -0.866 18.075 19.000 -0.099 0.000 0.814 60 A HN 0.373 nan 8.150 nan 0.000 0.444 61 V N -0.373 119.346 119.914 -0.326 0.000 2.295 61 V HA -0.242 3.877 4.120 -0.003 0.000 0.246 61 V C 2.582 178.585 176.094 -0.153 0.000 1.049 61 V CA 2.119 64.244 62.300 -0.291 0.000 1.024 61 V CB -0.696 30.870 31.823 -0.427 0.000 0.648 61 V HN 0.386 nan 8.190 nan 0.000 0.447 62 V N 1.934 121.769 119.914 -0.131 0.000 2.358 62 V HA -0.190 3.929 4.120 -0.003 0.000 0.246 62 V C 2.063 178.122 176.094 -0.058 0.000 1.047 62 V CA 2.172 64.425 62.300 -0.078 0.000 1.035 62 V CB -0.972 30.812 31.823 -0.064 0.000 0.658 62 V HN 0.912 nan 8.190 nan 0.000 0.452 63 N N 0.225 118.889 118.700 -0.060 0.000 2.398 63 N HA 0.199 4.938 4.740 -0.003 0.000 0.188 63 N C 1.281 176.769 175.510 -0.037 0.000 1.122 63 N CA 1.023 54.048 53.050 -0.042 0.000 0.866 63 N CB 0.568 39.034 38.487 -0.036 0.000 0.970 63 N HN 0.425 nan 8.380 nan 0.000 0.462 64 G N -1.210 107.563 108.800 -0.045 0.000 2.175 64 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.244 64 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.244 64 G C 1.093 175.976 174.900 -0.029 0.000 0.982 64 G CA 0.364 45.444 45.100 -0.033 0.000 0.641 64 G HN 0.325 nan 8.290 nan 0.000 0.527 65 S N 0.108 115.787 115.700 -0.035 0.000 2.402 65 S HA 0.326 4.794 4.470 -0.003 0.000 0.229 65 S C 1.687 176.279 174.600 -0.015 0.000 1.021 65 S CA 1.155 59.343 58.200 -0.021 0.000 0.974 65 S CB -0.066 63.122 63.200 -0.020 0.000 0.800 65 S HN 1.640 nan 8.310 nan 0.000 0.484 66 A N 2.165 124.962 122.820 -0.038 0.000 2.395 66 A HA 0.360 4.678 4.320 -0.003 0.000 0.286 66 A C 0.187 177.770 177.584 -0.001 0.000 1.193 66 A CA -0.353 51.674 52.037 -0.017 0.000 0.852 66 A CB 0.080 19.028 19.000 -0.088 0.000 1.118 66 A HN 0.441 nan 8.150 nan 0.000 0.524 67 Q N 1.366 121.180 119.800 0.024 0.000 2.368 67 Q HA 0.327 4.666 4.340 -0.003 0.000 0.237 67 Q C 1.665 177.689 176.000 0.039 0.000 0.987 67 Q CA 0.264 56.082 55.803 0.025 0.000 0.896 67 Q CB 0.710 29.464 28.738 0.026 0.000 1.241 67 Q HN 0.847 nan 8.270 nan 0.000 0.485 68 G N 1.007 109.828 108.800 0.034 0.000 2.574 68 G HA2 -0.379 3.579 3.960 -0.003 0.000 0.220 68 G HA3 -0.379 3.579 3.960 -0.003 0.000 0.220 68 G C 1.303 176.235 174.900 0.054 0.000 1.173 68 G CA 1.139 46.264 45.100 0.042 0.000 0.772 68 G HN 0.730 nan 8.290 nan 0.000 0.585 69 A N 0.076 122.924 122.820 0.047 0.000 1.978 69 A HA -0.103 4.215 4.320 -0.003 0.000 0.220 69 A C 2.367 179.988 177.584 0.062 0.000 1.170 69 A CA 2.044 54.109 52.037 0.047 0.000 0.636 69 A CB -0.364 18.658 19.000 0.037 0.000 0.810 69 A HN 0.542 nan 8.150 nan 0.000 0.448 70 Q N -0.778 119.069 119.800 0.078 0.000 2.137 70 Q HA 0.003 4.342 4.340 -0.003 0.000 0.198 70 Q C 1.973 178.080 176.000 0.178 0.000 0.960 70 Q CA 1.177 57.047 55.803 0.111 0.000 0.847 70 Q CB -0.240 28.569 28.738 0.119 0.000 0.915 70 Q HN 0.738 nan 8.270 nan 0.000 0.448 71 I N 0.627 121.306 120.570 0.182 0.000 2.179 71 I HA -0.199 3.969 4.170 -0.003 0.000 0.242 71 I C 2.375 178.588 176.117 0.160 0.000 1.088 71 I CA 1.300 62.742 61.300 0.237 0.000 1.357 71 I CB -0.608 37.482 38.000 0.151 0.000 1.051 71 I HN 0.255 nan 8.210 nan 0.000 0.409 72 G N 0.357 109.217 108.800 0.100 0.000 2.418 72 G HA2 -0.237 3.722 3.960 -0.003 0.000 0.217 72 G HA3 -0.237 3.722 3.960 -0.003 0.000 0.217 72 G C 1.841 176.769 174.900 0.047 0.000 1.158 72 G CA 0.866 46.006 45.100 0.067 0.000 0.771 72 G HN 0.495 nan 8.290 nan 0.000 0.545 73 A N 0.186 123.033 122.820 0.044 0.000 1.898 73 A HA 0.077 4.395 4.320 -0.003 0.000 0.216 73 A C 2.310 179.885 177.584 -0.014 0.000 1.181 73 A CA 2.159 54.206 52.037 0.018 0.000 0.620 73 A CB -0.367 18.646 19.000 0.021 0.000 0.819 73 A HN 0.377 nan 8.150 nan 0.000 0.442 74 M N -0.053 119.532 119.600 -0.026 0.000 2.117 74 M HA -0.040 4.438 4.480 -0.003 0.000 0.262 74 M C 1.817 178.046 176.300 -0.119 0.000 1.065 74 M CA 1.547 56.753 55.300 -0.157 0.000 1.114 74 M CB -0.703 31.646 32.600 -0.418 0.000 1.361 74 M HN 0.351 nan 8.290 nan 0.000 0.408 75 L N -1.098 120.112 121.223 -0.023 0.000 2.093 75 L HA -0.199 4.139 4.340 -0.003 0.000 0.208 75 L C 2.480 179.346 176.870 -0.007 0.000 1.085 75 L CA 1.207 56.048 54.840 0.003 0.000 0.755 75 L CB -0.665 41.425 42.059 0.052 0.000 0.904 75 L HN 0.408 nan 8.230 nan 0.000 0.435 76 M N -0.147 119.451 119.600 -0.004 0.000 2.200 76 M HA -0.046 4.433 4.480 -0.003 0.000 0.265 76 M C 2.272 178.564 176.300 -0.015 0.000 1.066 76 M CA 1.836 57.134 55.300 -0.003 0.000 1.127 76 M CB -0.450 32.153 32.600 0.004 0.000 1.379 76 M HN 0.149 nan 8.290 nan 0.000 0.420 77 A N 0.436 123.238 122.820 -0.031 0.000 1.873 77 A HA -0.186 4.132 4.320 -0.003 0.000 0.218 77 A C 2.217 179.776 177.584 -0.041 0.000 1.193 77 A CA 2.275 54.288 52.037 -0.040 0.000 0.629 77 A CB -1.249 17.713 19.000 -0.063 0.000 0.826 77 A HN 0.585 nan 8.150 nan 0.000 0.447 78 I N -1.077 119.460 120.570 -0.056 0.000 2.226 78 I HA -0.259 3.909 4.170 -0.003 0.000 0.245 78 I C 2.666 178.775 176.117 -0.012 0.000 1.100 78 I CA 1.731 63.006 61.300 -0.043 0.000 1.374 78 I CB -0.245 37.722 38.000 -0.054 0.000 1.057 78 I HN 0.313 nan 8.210 nan 0.000 0.413 79 R N 1.423 121.921 120.500 -0.004 0.000 2.081 79 R HA -0.112 4.226 4.340 -0.003 0.000 0.235 79 R C 1.966 178.275 176.300 0.015 0.000 1.131 79 R CA 1.803 57.911 56.100 0.014 0.000 0.960 79 R CB -0.571 29.738 30.300 0.014 0.000 0.856 79 R HN 0.327 nan 8.270 nan 0.000 0.436 80 L N -0.679 120.547 121.223 0.004 0.000 2.249 80 L HA 0.102 4.441 4.340 -0.003 0.000 0.207 80 L C 1.858 178.728 176.870 -0.000 0.000 1.090 80 L CA 0.535 55.378 54.840 0.004 0.000 0.802 80 L CB -0.087 41.973 42.059 0.001 0.000 0.947 80 L HN 0.063 nan 8.230 nan 0.000 0.453 81 R N -0.015 120.480 120.500 -0.008 0.000 2.307 81 R HA 0.325 4.663 4.340 -0.003 0.000 0.200 81 R C 0.743 177.037 176.300 -0.011 0.000 0.893 81 R CA 0.603 56.696 56.100 -0.011 0.000 1.042 81 R CB 0.086 30.375 30.300 -0.018 0.000 1.059 81 R HN 0.271 nan 8.270 nan 0.000 0.530 82 G N 1.375 110.170 108.800 -0.008 0.000 2.782 82 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.228 82 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.228 82 G C -0.532 174.362 174.900 -0.011 0.000 1.372 82 G CA -0.283 44.814 45.100 -0.005 0.000 0.862 82 G HN 0.108 nan 8.290 nan 0.000 0.547 83 M N 0.923 120.520 119.600 -0.005 0.000 2.433 83 M HA 0.361 4.839 4.480 -0.003 0.000 0.290 83 M C -0.448 175.851 176.300 -0.002 0.000 1.173 83 M CA -0.770 54.527 55.300 -0.005 0.000 0.905 83 M CB 2.247 34.846 32.600 -0.002 0.000 1.692 83 M HN 0.940 nan 8.290 nan 0.000 0.462 84 D N 1.154 121.553 120.400 -0.002 0.000 2.414 84 D HA 0.219 4.858 4.640 -0.003 0.000 0.251 84 D C 0.752 177.054 176.300 0.004 0.000 1.252 84 D CA -0.445 53.555 54.000 -0.001 0.000 0.999 84 D CB 0.746 41.545 40.800 -0.002 0.000 1.093 84 D HN 0.592 nan 8.370 nan 0.000 0.515 85 L N -0.851 120.374 121.223 0.004 0.000 2.083 85 L HA -0.145 4.193 4.340 -0.003 0.000 0.209 85 L C 2.347 179.223 176.870 0.011 0.000 1.083 85 L CA 1.303 56.148 54.840 0.008 0.000 0.752 85 L CB -0.376 41.687 42.059 0.006 0.000 0.899 85 L HN 0.474 nan 8.230 nan 0.000 0.433 86 E N 0.378 120.583 120.200 0.009 0.000 2.051 86 E HA -0.213 4.135 4.350 -0.003 0.000 0.192 86 E C 2.010 178.619 176.600 0.015 0.000 0.991 86 E CA 1.249 57.656 56.400 0.012 0.000 0.799 86 E CB 0.021 29.727 29.700 0.009 0.000 0.748 86 E HN 0.473 nan 8.360 nan 0.000 0.449 87 E N -0.486 119.721 120.200 0.012 0.000 2.038 87 E HA -0.159 4.189 4.350 -0.003 0.000 0.195 87 E C 2.088 178.701 176.600 0.021 0.000 1.000 87 E CA 1.759 58.167 56.400 0.014 0.000 0.803 87 E CB -0.170 29.533 29.700 0.005 0.000 0.750 87 E HN 0.214 nan 8.360 nan 0.000 0.448 88 T N 0.453 115.019 114.554 0.020 0.000 2.684 88 T HA -0.215 4.134 4.350 -0.003 0.000 0.267 88 T C 2.056 176.775 174.700 0.031 0.000 1.036 88 T CA 1.561 63.678 62.100 0.028 0.000 1.148 88 T CB -0.342 68.541 68.868 0.025 0.000 0.863 88 T HN 0.114 nan 8.240 nan 0.000 0.436 89 S N 0.353 116.069 115.700 0.027 0.000 2.356 89 S HA -0.111 4.358 4.470 -0.003 0.000 0.223 89 S C 2.172 176.790 174.600 0.030 0.000 1.032 89 S CA 1.285 59.501 58.200 0.027 0.000 1.005 89 S CB -0.551 62.662 63.200 0.022 0.000 0.867 89 S HN 0.293 nan 8.310 nan 0.000 0.449 90 V N 2.203 122.135 119.914 0.030 0.000 2.407 90 V HA -0.088 4.031 4.120 -0.003 0.000 0.248 90 V C 2.410 178.531 176.094 0.045 0.000 1.055 90 V CA 1.663 63.984 62.300 0.034 0.000 1.049 90 V CB -0.625 31.217 31.823 0.032 0.000 0.662 90 V HN 0.543 nan 8.190 nan 0.000 0.455 91 L N -0.206 121.047 121.223 0.051 0.000 2.141 91 L HA -0.139 4.199 4.340 -0.003 0.000 0.209 91 L C 2.426 179.334 176.870 0.063 0.000 1.094 91 L CA 2.038 56.919 54.840 0.069 0.000 0.763 91 L CB -0.616 41.485 42.059 0.071 0.000 0.908 91 L HN 0.410 nan 8.230 nan 0.000 0.437 92 T N -0.429 114.155 114.554 0.050 0.000 2.777 92 T HA -0.210 4.139 4.350 -0.003 0.000 0.266 92 T C 1.794 176.517 174.700 0.038 0.000 1.040 92 T CA 1.364 63.490 62.100 0.043 0.000 1.141 92 T CB -0.063 68.827 68.868 0.037 0.000 0.868 92 T HN 0.437 nan 8.240 nan 0.000 0.444 93 Q N 0.566 120.388 119.800 0.036 0.000 2.046 93 Q HA 0.059 4.397 4.340 -0.003 0.000 0.200 93 Q C 2.767 178.785 176.000 0.030 0.000 0.975 93 Q CA 1.305 57.126 55.803 0.030 0.000 0.836 93 Q CB -0.305 28.449 28.738 0.027 0.000 0.896 93 Q HN 0.536 nan 8.270 nan 0.000 0.428 94 A N 0.977 123.820 122.820 0.038 0.000 1.902 94 A HA -0.165 4.154 4.320 -0.003 0.000 0.217 94 A C 2.068 179.671 177.584 0.032 0.000 1.181 94 A CA 1.153 53.212 52.037 0.037 0.000 0.623 94 A CB -0.708 18.325 19.000 0.054 0.000 0.818 94 A HN 0.283 nan 8.150 nan 0.000 0.443 95 L N -0.950 120.299 121.223 0.042 0.000 2.093 95 L HA -0.176 4.162 4.340 -0.003 0.000 0.208 95 L C 3.100 179.986 176.870 0.026 0.000 1.085 95 L CA 1.044 55.906 54.840 0.037 0.000 0.755 95 L CB -0.714 41.377 42.059 0.053 0.000 0.904 95 L HN 0.448 nan 8.230 nan 0.000 0.435 96 A N -0.075 122.760 122.820 0.026 0.000 1.902 96 A HA -0.231 4.087 4.320 -0.003 0.000 0.217 96 A C 2.124 179.715 177.584 0.012 0.000 1.181 96 A CA 1.466 53.516 52.037 0.021 0.000 0.623 96 A CB -0.444 18.570 19.000 0.024 0.000 0.818 96 A HN 0.497 nan 8.150 nan 0.000 0.443 97 Q N 0.270 120.077 119.800 0.011 0.000 2.444 97 Q HA -0.012 4.326 4.340 -0.003 0.000 0.206 97 Q C 1.875 177.874 176.000 -0.003 0.000 0.948 97 Q CA 0.779 56.584 55.803 0.003 0.000 0.946 97 Q CB -0.063 28.678 28.738 0.005 0.000 1.027 97 Q HN 0.832 nan 8.270 nan 0.000 0.513 98 S N -1.045 114.654 115.700 -0.002 0.000 2.515 98 S HA 0.066 4.535 4.470 -0.003 0.000 0.231 98 S C 0.965 175.556 174.600 -0.015 0.000 0.987 98 S CA 0.332 58.525 58.200 -0.011 0.000 0.936 98 S CB 0.286 63.478 63.200 -0.013 0.000 0.766 98 S HN 0.335 nan 8.310 nan 0.000 0.528 99 G N -0.037 108.756 108.800 -0.012 0.000 3.247 99 G HA2 0.543 4.502 3.960 -0.003 0.000 0.226 99 G HA3 0.543 4.502 3.960 -0.003 0.000 0.226 99 G C -1.390 173.497 174.900 -0.022 0.000 1.220 99 G CA -0.965 44.124 45.100 -0.017 0.000 0.875 99 G HN 0.345 nan 8.290 nan 0.000 0.606 100 Q N -0.112 119.670 119.800 -0.030 0.000 2.299 100 Q HA 0.382 4.720 4.340 -0.003 0.000 0.246 100 Q C -0.530 175.442 176.000 -0.046 0.000 0.935 100 Q CA -0.261 55.515 55.803 -0.045 0.000 0.887 100 Q CB 1.570 30.272 28.738 -0.061 0.000 1.223 100 Q HN 0.447 nan 8.270 nan 0.000 0.439 101 Q N 1.733 121.499 119.800 -0.058 0.000 2.261 101 Q HA 0.291 4.629 4.340 -0.003 0.000 0.252 101 Q C -1.427 174.491 176.000 -0.137 0.000 0.915 101 Q CA -0.140 55.625 55.803 -0.064 0.000 0.915 101 Q CB 0.696 29.404 28.738 -0.048 0.000 1.204 101 Q HN 0.526 nan 8.270 nan 0.000 0.421 102 L N 3.995 125.117 121.223 -0.167 0.000 2.331 102 L HA 0.327 4.665 4.340 -0.003 0.000 0.278 102 L C 0.132 176.662 176.870 -0.567 0.000 1.106 102 L CA -0.181 54.404 54.840 -0.425 0.000 0.824 102 L CB 0.664 42.485 42.059 -0.397 0.000 1.142 102 L HN 0.606 nan 8.230 nan 0.000 0.443 103 E N 3.019 122.784 120.200 -0.726 0.000 2.199 103 E HA 0.395 4.743 4.350 -0.003 0.000 0.269 103 E C -1.466 174.737 176.600 -0.662 0.000 0.899 103 E CA -0.450 55.642 56.400 -0.514 0.000 0.772 103 E CB 2.080 31.611 29.700 -0.281 0.000 1.155 103 E HN 0.392 nan 8.360 nan 0.000 0.408 104 W N 1.183 122.465 121.300 -0.029 0.000 2.962 104 W HA 0.383 5.042 4.660 -0.003 0.000 0.341 104 W C -2.101 174.277 176.519 -0.234 0.000 1.155 104 W CA -2.081 55.203 57.345 -0.102 0.000 1.165 104 W CB 0.062 29.596 29.460 0.125 0.000 1.435 104 W HN 0.285 nan 8.180 nan 0.000 0.546 105 P HA -0.109 nan 4.420 nan 0.000 0.263 105 P C 1.041 178.251 177.300 -0.150 0.000 1.175 105 P CA 0.400 63.270 63.100 -0.384 0.000 0.761 105 P CB 0.702 31.864 31.700 -0.896 0.000 0.794 106 E N 3.029 123.188 120.200 -0.067 0.000 2.130 106 E HA -0.253 4.095 4.350 -0.003 0.000 0.196 106 E C 1.540 178.185 176.600 0.075 0.000 0.998 106 E CA 2.138 58.550 56.400 0.020 0.000 0.806 106 E CB -1.383 28.321 29.700 0.007 0.000 0.738 106 E HN 0.476 nan 8.360 nan 0.000 0.459 107 A N 0.309 123.167 122.820 0.063 0.000 2.121 107 A HA -0.083 4.235 4.320 -0.003 0.000 0.218 107 A C 1.532 179.331 177.584 0.357 0.000 1.154 107 A CA 1.020 53.160 52.037 0.173 0.000 0.679 107 A CB -0.888 18.213 19.000 0.168 0.000 0.795 107 A HN 0.326 nan 8.150 nan 0.000 0.458 108 W N -0.233 121.094 121.300 0.045 0.000 2.863 108 W HA 0.200 4.859 4.660 -0.002 0.000 0.258 108 W C 2.055 178.585 176.519 0.018 0.000 1.298 108 W CA -0.308 57.045 57.345 0.013 0.000 1.451 108 W CB -0.631 28.823 29.460 -0.011 0.000 1.107 108 W HN 0.450 nan 8.180 nan 0.000 0.641 109 R N 0.701 121.361 120.500 0.266 0.000 2.140 109 R HA -0.246 4.092 4.340 -0.003 0.000 0.250 109 R C 1.980 178.361 176.300 0.135 0.000 1.150 109 R CA 2.000 58.210 56.100 0.183 0.000 0.966 109 R CB -0.328 30.052 30.300 0.133 0.000 0.869 109 R HN 0.094 nan 8.270 nan 0.000 0.445 110 Q N -0.297 119.581 119.800 0.131 0.000 2.331 110 Q HA -0.075 4.263 4.340 -0.003 0.000 0.203 110 Q C 1.804 177.942 176.000 0.230 0.000 0.944 110 Q CA 1.008 56.881 55.803 0.118 0.000 0.892 110 Q CB 0.434 29.216 28.738 0.073 0.000 0.983 110 Q HN 0.589 nan 8.270 nan 0.000 0.482 111 Q N -0.138 119.758 119.800 0.159 0.000 2.389 111 Q HA 0.069 4.407 4.340 -0.003 0.000 0.204 111 Q C 0.139 176.105 176.000 -0.056 0.000 0.944 111 Q CA 0.097 55.917 55.803 0.028 0.000 0.908 111 Q CB 0.271 28.933 28.738 -0.127 0.000 1.002 111 Q HN 0.237 nan 8.270 nan 0.000 0.493 112 L N 2.245 123.454 121.223 -0.024 0.000 2.385 112 L HA 0.133 4.472 4.340 -0.003 0.000 0.281 112 L C -0.220 176.638 176.870 -0.019 0.000 1.106 112 L CA -0.461 54.332 54.840 -0.079 0.000 0.856 112 L CB 0.234 42.256 42.059 -0.061 0.000 1.186 112 L HN -0.093 nan 8.230 nan 0.000 0.453 113 V N -0.554 119.335 119.914 -0.042 0.000 3.114 113 V HA 0.799 4.918 4.120 -0.003 0.000 0.308 113 V C -1.228 174.869 176.094 0.005 0.000 1.168 113 V CA -0.652 61.650 62.300 0.003 0.000 1.015 113 V CB 2.525 34.356 31.823 0.013 0.000 1.050 113 V HN 0.558 nan 8.190 nan 0.000 0.433 114 D N 0.858 121.282 120.400 0.041 0.000 2.609 114 D HA 0.505 5.143 4.640 -0.003 0.000 0.239 114 D C -1.767 174.582 176.300 0.082 0.000 1.229 114 D CA -0.413 53.623 54.000 0.061 0.000 0.808 114 D CB 2.729 43.582 40.800 0.089 0.000 1.448 114 D HN 0.808 nan 8.370 nan 0.000 0.433 115 K N 1.400 121.853 120.400 0.088 0.000 2.378 115 K HA 0.461 4.779 4.320 -0.003 0.000 0.252 115 K C -1.712 174.967 176.600 0.131 0.000 0.931 115 K CA -0.509 55.837 56.287 0.097 0.000 0.794 115 K CB 1.422 33.955 32.500 0.055 0.000 1.181 115 K HN 0.656 nan 8.250 nan 0.000 0.425 116 H N -0.285 118.822 119.070 0.061 0.000 2.768 116 H HA 0.455 5.009 4.556 -0.003 0.000 0.371 116 H C -1.051 174.318 175.328 0.069 0.000 1.151 116 H CA -0.177 55.911 56.048 0.068 0.000 1.165 116 H CB 1.761 31.569 29.762 0.077 0.000 1.722 116 H HN 0.477 nan 8.280 nan 0.000 0.543 117 S N 0.890 116.586 115.700 -0.006 0.000 2.549 117 S HA 0.113 4.582 4.470 -0.003 0.000 0.297 117 S C 1.010 175.711 174.600 0.168 0.000 1.115 117 S CA -0.160 58.084 58.200 0.073 0.000 1.059 117 S CB 1.490 64.688 63.200 -0.003 0.000 1.046 117 S HN 0.839 nan 8.310 nan 0.000 0.506 118 T N -0.536 114.105 114.554 0.145 0.000 3.035 118 T HA 0.400 4.749 4.350 -0.003 0.000 0.268 118 T C 0.876 175.601 174.700 0.042 0.000 1.109 118 T CA 0.449 62.620 62.100 0.118 0.000 1.119 118 T CB -0.402 68.537 68.868 0.119 0.000 0.900 118 T HN 1.205 nan 8.240 nan 0.000 0.503 119 G N -1.363 107.453 108.800 0.028 0.000 2.317 119 G HA2 0.476 4.435 3.960 -0.003 0.000 0.445 119 G HA3 0.476 4.435 3.960 -0.003 0.000 0.445 119 G C -0.523 174.373 174.900 -0.007 0.000 1.486 119 G CA -0.414 44.678 45.100 -0.013 0.000 0.991 119 G HN 1.199 nan 8.290 nan 0.000 0.660 120 G N -1.108 107.685 108.800 -0.012 0.000 2.405 120 G HA2 0.601 4.560 3.960 -0.003 0.000 0.312 120 G HA3 0.601 4.560 3.960 -0.003 0.000 0.312 120 G C -0.711 174.189 174.900 -0.001 0.000 1.579 120 G CA 0.148 45.248 45.100 0.000 0.000 0.933 120 G HN 1.548 nan 8.290 nan 0.000 0.628 121 V N 2.014 121.938 119.914 0.017 0.000 2.485 121 V HA 0.449 4.567 4.120 -0.003 0.000 0.287 121 V C 1.712 177.804 176.094 -0.003 0.000 1.022 121 V CA 1.739 64.051 62.300 0.020 0.000 1.067 121 V CB 0.714 32.567 31.823 0.050 0.000 0.967 121 V HN 2.348 nan 8.190 nan 0.000 0.479 122 G N 3.884 112.669 108.800 -0.025 0.000 2.148 122 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.254 122 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.254 122 G C 0.079 174.955 174.900 -0.040 0.000 0.981 122 G CA 0.196 45.273 45.100 -0.038 0.000 0.670 122 G HN 0.815 nan 8.290 nan 0.000 0.528 123 D N 1.004 121.382 120.400 -0.037 0.000 2.374 123 D HA 0.303 4.941 4.640 -0.003 0.000 0.240 123 D C 1.366 177.635 176.300 -0.051 0.000 1.229 123 D CA -0.108 53.870 54.000 -0.037 0.000 0.895 123 D CB 0.221 41.006 40.800 -0.025 0.000 1.046 123 D HN 0.519 nan 8.370 nan 0.000 0.498 124 K N 3.022 123.387 120.400 -0.059 0.000 2.618 124 K HA 0.094 4.413 4.320 -0.003 0.000 0.207 124 K C 0.724 177.278 176.600 -0.076 0.000 1.058 124 K CA -0.328 55.916 56.287 -0.072 0.000 1.086 124 K CB 0.220 32.668 32.500 -0.086 0.000 0.827 124 K HN 0.117 nan 8.250 nan 0.000 0.481 125 V N 1.262 121.141 119.914 -0.059 0.000 2.324 125 V HA -0.279 3.839 4.120 -0.003 0.000 0.250 125 V C 2.062 178.121 176.094 -0.059 0.000 1.060 125 V CA 2.293 64.561 62.300 -0.054 0.000 1.042 125 V CB -0.444 31.359 31.823 -0.033 0.000 0.650 125 V HN 0.479 nan 8.190 nan 0.000 0.450 126 S N -0.217 115.449 115.700 -0.056 0.000 2.383 126 S HA -0.080 4.389 4.470 -0.003 0.000 0.227 126 S C 1.862 176.438 174.600 -0.040 0.000 1.026 126 S CA 1.297 59.470 58.200 -0.045 0.000 0.981 126 S CB -0.340 62.827 63.200 -0.054 0.000 0.818 126 S HN 0.496 nan 8.310 nan 0.000 0.472 127 L N 0.923 122.106 121.223 -0.068 0.000 2.127 127 L HA -0.106 4.233 4.340 -0.003 0.000 0.211 127 L C 2.114 178.851 176.870 -0.223 0.000 1.089 127 L CA 0.895 55.673 54.840 -0.103 0.000 0.757 127 L CB -0.589 41.375 42.059 -0.158 0.000 0.899 127 L HN 0.238 nan 8.230 nan 0.000 0.434 128 V N -1.230 118.570 119.914 -0.189 0.000 2.575 128 V HA -0.133 3.985 4.120 -0.003 0.000 0.242 128 V C 2.065 178.099 176.094 -0.100 0.000 1.045 128 V CA 0.729 62.914 62.300 -0.192 0.000 1.065 128 V CB -0.079 31.651 31.823 -0.156 0.000 0.717 128 V HN 0.224 nan 8.190 nan 0.000 0.467 129 L N 0.950 122.135 121.223 -0.063 0.000 2.109 129 L HA 0.122 4.461 4.340 -0.003 0.000 0.207 129 L C 2.449 179.307 176.870 -0.019 0.000 1.086 129 L CA 2.034 56.853 54.840 -0.035 0.000 0.760 129 L CB -0.950 41.095 42.059 -0.023 0.000 0.910 129 L HN 0.220 nan 8.230 nan 0.000 0.437 130 A N 0.980 123.798 122.820 -0.003 0.000 1.851 130 A HA -0.127 4.192 4.320 -0.003 0.000 0.216 130 A C -0.056 177.539 177.584 0.017 0.000 1.195 130 A CA 2.109 54.156 52.037 0.015 0.000 0.622 130 A CB -2.203 16.827 19.000 0.050 0.000 0.831 130 A HN 0.466 nan 8.150 nan 0.000 0.444 131 P HA -0.090 nan 4.420 nan 0.000 0.218 131 P C 1.543 178.847 177.300 0.007 0.000 1.149 131 P CA 1.861 65.000 63.100 0.064 0.000 0.817 131 P CB -0.176 31.625 31.700 0.168 0.000 0.785 132 A N 0.269 123.079 122.820 -0.016 0.000 1.902 132 A HA -0.126 4.193 4.320 -0.003 0.000 0.217 132 A C 2.433 179.994 177.584 -0.039 0.000 1.181 132 A CA 1.300 53.319 52.037 -0.030 0.000 0.623 132 A CB -1.590 17.388 19.000 -0.037 0.000 0.818 132 A HN 0.121 nan 8.150 nan 0.000 0.443 133 L N -0.866 120.331 121.223 -0.044 0.000 2.056 133 L HA -0.179 4.160 4.340 -0.003 0.000 0.207 133 L C 3.129 179.940 176.870 -0.099 0.000 1.078 133 L CA 0.942 55.742 54.840 -0.066 0.000 0.749 133 L CB -0.596 41.428 42.059 -0.059 0.000 0.901 133 L HN 0.447 nan 8.230 nan 0.000 0.433 134 A N 0.285 123.050 122.820 -0.092 0.000 1.917 134 A HA -0.269 4.050 4.320 -0.003 0.000 0.219 134 A C 2.477 180.000 177.584 -0.102 0.000 1.182 134 A CA 2.023 53.990 52.037 -0.116 0.000 0.633 134 A CB -0.767 18.178 19.000 -0.090 0.000 0.819 134 A HN 0.430 nan 8.150 nan 0.000 0.448 135 A N -1.711 121.069 122.820 -0.067 0.000 2.067 135 A HA -0.086 4.233 4.320 -0.003 0.000 0.219 135 A C 1.869 179.414 177.584 -0.064 0.000 1.158 135 A CA 1.446 53.450 52.037 -0.054 0.000 0.661 135 A CB -0.936 18.045 19.000 -0.032 0.000 0.801 135 A HN 0.605 nan 8.150 nan 0.000 0.452 136 C N -0.634 118.618 119.300 -0.080 0.000 2.625 136 C HA 0.464 4.922 4.460 -0.003 0.000 0.285 136 C C 1.779 176.684 174.990 -0.140 0.000 1.279 136 C CA 0.097 59.062 59.018 -0.089 0.000 1.698 136 C CB -1.434 26.259 27.740 -0.077 0.000 1.821 136 C HN 1.038 nan 8.230 nan 0.000 0.600 137 G N 0.176 108.884 108.800 -0.152 0.000 2.160 137 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.244 137 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.244 137 G C -0.026 174.704 174.900 -0.284 0.000 1.022 137 G CA 0.084 45.069 45.100 -0.191 0.000 0.741 137 G HN 0.535 nan 8.290 nan 0.000 0.508 138 C N 0.052 119.188 119.300 -0.274 0.000 2.407 138 C HA 0.863 5.321 4.460 -0.003 0.000 0.366 138 C C 0.175 174.985 174.990 -0.300 0.000 1.213 138 C CA -1.003 57.837 59.018 -0.296 0.000 2.011 138 C CB 1.788 29.386 27.740 -0.236 0.000 2.306 138 C HN 0.419 nan 8.230 nan 0.000 0.527 139 K N 1.497 121.701 120.400 -0.327 0.000 2.323 139 K HA 0.590 4.909 4.320 -0.003 0.000 0.259 139 K C -1.458 174.962 176.600 -0.299 0.000 0.947 139 K CA -0.318 55.722 56.287 -0.412 0.000 0.819 139 K CB 1.690 33.810 32.500 -0.633 0.000 1.109 139 K HN 0.424 nan 8.250 nan 0.000 0.429 140 V N 4.855 124.621 119.914 -0.247 0.000 2.327 140 V HA 0.216 4.335 4.120 -0.003 0.000 0.272 140 V C -2.191 173.831 176.094 -0.122 0.000 1.019 140 V CA -1.481 60.733 62.300 -0.142 0.000 0.814 140 V CB 1.438 33.216 31.823 -0.075 0.000 1.040 140 V HN 0.529 nan 8.190 nan 0.000 0.440 141 P HA 0.205 nan 4.420 nan 0.000 0.214 141 P C -0.069 177.286 177.300 0.092 0.000 1.826 141 P CA -0.237 62.849 63.100 -0.024 0.000 0.977 141 P CB 0.333 32.008 31.700 -0.042 0.000 1.930 142 M N 2.882 122.529 119.600 0.079 0.000 2.220 142 M HA 0.209 4.687 4.480 -0.003 0.000 0.343 142 M C -0.458 175.921 176.300 0.131 0.000 1.470 142 M CA -0.202 55.164 55.300 0.110 0.000 1.161 142 M CB -0.081 32.571 32.600 0.088 0.000 1.737 142 M HN 0.040 nan 8.290 nan 0.000 0.464 143 I N 4.063 124.722 120.570 0.150 0.000 2.325 143 I HA 0.212 4.381 4.170 -0.003 0.000 0.291 143 I C 0.279 176.502 176.117 0.176 0.000 1.019 143 I CA -0.133 61.248 61.300 0.135 0.000 1.302 143 I CB 1.373 39.440 38.000 0.112 0.000 1.401 143 I HN 0.670 nan 8.210 nan 0.000 0.485 144 S N 3.691 119.466 115.700 0.125 0.000 2.894 144 S HA 0.924 5.392 4.470 -0.003 0.000 0.298 144 S C -0.279 174.342 174.600 0.035 0.000 1.054 144 S CA -0.302 57.973 58.200 0.124 0.000 0.903 144 S CB 1.843 65.072 63.200 0.048 0.000 1.356 144 S HN 0.770 nan 8.310 nan 0.000 0.626 145 G N -0.094 108.712 108.800 0.010 0.000 2.684 145 G HA2 0.585 4.543 3.960 -0.003 0.000 0.290 145 G HA3 0.585 4.543 3.960 -0.003 0.000 0.290 145 G C -1.335 173.584 174.900 0.032 0.000 1.425 145 G CA -0.740 44.267 45.100 -0.155 0.000 0.822 145 G HN 0.668 nan 8.290 nan 0.000 0.482 146 R N -0.883 119.646 120.500 0.049 0.000 2.611 146 R HA 0.532 4.870 4.340 -0.003 0.000 0.243 146 R C 1.194 177.687 176.300 0.322 0.000 1.260 146 R CA 0.020 56.233 56.100 0.189 0.000 1.095 146 R CB 0.068 30.456 30.300 0.147 0.000 1.259 146 R HN 0.627 nan 8.270 nan 0.000 0.575 147 G N 0.094 109.033 108.800 0.233 0.000 2.630 147 G HA2 0.285 4.243 3.960 -0.003 0.000 0.236 147 G HA3 0.285 4.243 3.960 -0.003 0.000 0.236 147 G C -1.053 173.929 174.900 0.137 0.000 1.248 147 G CA -0.152 45.059 45.100 0.185 0.000 0.844 147 G HN 0.158 nan 8.290 nan 0.000 0.588 148 L N 1.464 122.703 121.223 0.027 0.000 2.620 148 L HA 0.552 4.891 4.340 -0.003 0.000 0.261 148 L C 0.741 177.536 176.870 -0.124 0.000 0.978 148 L CA 1.112 55.885 54.840 -0.113 0.000 0.897 148 L CB 0.831 42.734 42.059 -0.261 0.000 1.207 148 L HN 1.512 nan 8.230 nan 0.000 0.425 149 G N 3.253 112.012 108.800 -0.069 0.000 2.561 149 G HA2 -0.343 3.615 3.960 -0.003 0.000 0.289 149 G HA3 -0.343 3.615 3.960 -0.003 0.000 0.289 149 G C 0.672 175.544 174.900 -0.046 0.000 1.169 149 G CA 0.542 45.577 45.100 -0.108 0.000 0.980 149 G HN 1.136 nan 8.290 nan 0.000 0.550 150 H N 0.559 119.590 119.070 -0.065 0.000 2.517 150 H HA 0.389 4.943 4.556 -0.003 0.000 0.282 150 H C 0.084 175.434 175.328 0.037 0.000 1.023 150 H CA 0.970 57.005 56.048 -0.021 0.000 1.169 150 H CB -0.221 29.478 29.762 -0.105 0.000 1.454 150 H HN 0.385 nan 8.280 nan 0.000 0.556 151 T N 1.294 115.794 114.554 -0.090 0.000 2.779 151 T HA 0.437 4.785 4.350 -0.003 0.000 0.280 151 T C 0.753 175.466 174.700 0.022 0.000 0.987 151 T CA -0.363 61.713 62.100 -0.039 0.000 0.966 151 T CB 1.838 70.632 68.868 -0.123 0.000 0.933 151 T HN 0.480 nan 8.240 nan 0.000 0.442 152 G N 1.357 110.173 108.800 0.027 0.000 2.527 152 G HA2 0.529 4.487 3.960 -0.003 0.000 0.248 152 G HA3 0.529 4.487 3.960 -0.003 0.000 0.248 152 G C 0.160 175.099 174.900 0.066 0.000 1.231 152 G CA -0.568 44.564 45.100 0.053 0.000 0.838 152 G HN 0.891 nan 8.290 nan 0.000 0.570 153 G N -0.612 108.270 108.800 0.137 0.000 2.448 153 G HA2 0.436 4.395 3.960 -0.003 0.000 0.324 153 G HA3 0.436 4.395 3.960 -0.003 0.000 0.324 153 G C 0.851 175.808 174.900 0.095 0.000 1.203 153 G CA 0.005 45.178 45.100 0.122 0.000 0.954 153 G HN 0.491 nan 8.290 nan 0.000 0.480 154 T N 2.110 116.690 114.554 0.043 0.000 2.737 154 T HA -0.174 4.175 4.350 -0.003 0.000 0.269 154 T C 2.456 177.166 174.700 0.016 0.000 1.040 154 T CA 1.183 63.291 62.100 0.013 0.000 1.142 154 T CB -0.231 68.628 68.868 -0.015 0.000 0.861 154 T HN 0.321 nan 8.240 nan 0.000 0.456 155 L N 0.736 121.982 121.223 0.037 0.000 2.083 155 L HA -0.101 4.238 4.340 -0.003 0.000 0.209 155 L C 2.421 179.310 176.870 0.033 0.000 1.083 155 L CA 1.122 55.984 54.840 0.038 0.000 0.752 155 L CB -0.568 41.518 42.059 0.044 0.000 0.899 155 L HN 0.183 nan 8.230 nan 0.000 0.433 156 D N 0.271 120.709 120.400 0.063 0.000 2.183 156 D HA -0.118 4.521 4.640 -0.003 0.000 0.203 156 D C 2.160 178.507 176.300 0.079 0.000 0.969 156 D CA 0.977 54.993 54.000 0.027 0.000 0.842 156 D CB 0.074 40.879 40.800 0.009 0.000 0.957 156 D HN 0.304 nan 8.370 nan 0.000 0.484 157 K N 0.361 120.875 120.400 0.190 0.000 2.057 157 K HA -0.028 4.290 4.320 -0.003 0.000 0.207 157 K C 2.266 178.855 176.600 -0.018 0.000 1.049 157 K CA 0.574 56.944 56.287 0.138 0.000 0.931 157 K CB -0.088 32.443 32.500 0.052 0.000 0.714 157 K HN 0.105 nan 8.250 nan 0.000 0.440 158 L N 1.172 122.314 121.223 -0.134 0.000 2.201 158 L HA -0.143 4.196 4.340 -0.003 0.000 0.212 158 L C 1.917 178.622 176.870 -0.276 0.000 1.105 158 L CA 1.108 55.709 54.840 -0.398 0.000 0.775 158 L CB -0.212 41.335 42.059 -0.853 0.000 0.913 158 L HN 0.200 nan 8.230 nan 0.000 0.440 159 E N -0.407 119.742 120.200 -0.085 0.000 2.478 159 E HA -0.115 4.233 4.350 -0.003 0.000 0.198 159 E C 2.055 178.654 176.600 -0.001 0.000 1.046 159 E CA 0.896 57.303 56.400 0.011 0.000 0.870 159 E CB 0.084 29.796 29.700 0.021 0.000 0.818 159 E HN 0.529 nan 8.360 nan 0.000 0.527 160 S N 0.400 116.090 115.700 -0.018 0.000 2.515 160 S HA -0.018 4.450 4.470 -0.003 0.000 0.231 160 S C 0.976 175.580 174.600 0.007 0.000 0.987 160 S CA 0.127 58.325 58.200 -0.003 0.000 0.936 160 S CB -0.285 62.921 63.200 0.011 0.000 0.766 160 S HN 0.091 nan 8.310 nan 0.000 0.528 161 I N 3.389 123.961 120.570 0.004 0.000 2.363 161 I HA 0.277 4.445 4.170 -0.003 0.000 0.292 161 I C -2.596 173.567 176.117 0.077 0.000 1.075 161 I CA -2.491 58.829 61.300 0.034 0.000 1.333 161 I CB 0.453 38.463 38.000 0.017 0.000 1.415 161 I HN -0.096 nan 8.210 nan 0.000 0.502 162 P HA 0.007 nan 4.420 nan 0.000 0.260 162 P C 0.941 178.277 177.300 0.061 0.000 1.185 162 P CA 0.762 63.891 63.100 0.048 0.000 0.763 162 P CB 0.560 32.277 31.700 0.028 0.000 0.776 163 G N 2.816 111.651 108.800 0.059 0.000 2.199 163 G HA2 -0.296 3.663 3.960 -0.003 0.000 0.254 163 G HA3 -0.296 3.663 3.960 -0.003 0.000 0.254 163 G C 0.067 174.993 174.900 0.044 0.000 0.982 163 G CA -0.525 44.597 45.100 0.037 0.000 0.632 163 G HN 0.526 nan 8.290 nan 0.000 0.529 164 F N 2.332 122.263 119.950 -0.030 0.000 2.541 164 F HA 0.543 5.069 4.527 -0.002 0.000 0.378 164 F C 0.413 176.198 175.800 -0.024 0.000 1.068 164 F CA -0.611 57.367 58.000 -0.036 0.000 1.199 164 F CB 0.543 39.521 39.000 -0.037 0.000 1.091 164 F HN 0.091 nan 8.300 nan 0.000 0.555 165 N N 5.140 123.594 118.700 -0.410 0.000 2.437 165 N HA 0.183 4.922 4.740 -0.003 0.000 0.259 165 N C 0.566 175.945 175.510 -0.218 0.000 0.983 165 N CA -0.457 52.469 53.050 -0.207 0.000 0.937 165 N CB 1.460 39.838 38.487 -0.182 0.000 1.122 165 N HN 0.479 nan 8.380 nan 0.000 0.499 166 V N 1.779 121.721 119.914 0.047 0.000 3.129 166 V HA 0.315 4.433 4.120 -0.003 0.000 0.259 166 V C 0.862 176.980 176.094 0.041 0.000 1.116 166 V CA 0.697 63.076 62.300 0.131 0.000 1.127 166 V CB -0.424 31.507 31.823 0.180 0.000 0.742 166 V HN 0.502 nan 8.190 nan 0.000 0.474 167 I N 1.814 122.383 120.570 -0.002 0.000 2.304 167 I HA 0.569 4.737 4.170 -0.003 0.000 0.291 167 I C -0.387 175.715 176.117 -0.025 0.000 1.018 167 I CA 0.097 61.393 61.300 -0.007 0.000 1.260 167 I CB 1.310 39.306 38.000 -0.007 0.000 1.390 167 I HN 0.284 nan 8.210 nan 0.000 0.475 168 Q N 4.477 124.271 119.800 -0.009 0.000 2.271 168 Q HA 0.295 4.633 4.340 -0.003 0.000 0.268 168 Q C -0.475 175.531 176.000 0.010 0.000 1.021 168 Q CA -0.486 55.312 55.803 -0.009 0.000 0.802 168 Q CB 2.177 30.911 28.738 -0.006 0.000 1.282 168 Q HN 0.740 nan 8.270 nan 0.000 0.431 169 S N 2.636 118.337 115.700 0.002 0.000 2.593 169 S HA 0.339 4.808 4.470 -0.003 0.000 0.269 169 S C -1.712 172.893 174.600 0.008 0.000 1.334 169 S CA -0.729 57.470 58.200 -0.002 0.000 1.015 169 S CB 0.696 63.889 63.200 -0.012 0.000 0.912 169 S HN 0.522 nan 8.310 nan 0.000 0.541 170 P HA -0.207 nan 4.420 nan 0.000 0.217 170 P C 1.577 178.846 177.300 -0.050 0.000 1.151 170 P CA 1.664 64.727 63.100 -0.062 0.000 0.849 170 P CB -0.048 31.583 31.700 -0.116 0.000 0.787 171 E N -0.175 120.007 120.200 -0.030 0.000 2.158 171 E HA -0.170 4.179 4.350 -0.003 0.000 0.191 171 E C 1.902 178.530 176.600 0.045 0.000 0.982 171 E CA 0.995 57.391 56.400 -0.006 0.000 0.823 171 E CB -0.965 28.722 29.700 -0.021 0.000 0.766 171 E HN 0.345 nan 8.360 nan 0.000 0.468 172 Q N 0.257 120.081 119.800 0.040 0.000 2.124 172 Q HA 0.002 4.340 4.340 -0.003 0.000 0.202 172 Q C 2.374 178.435 176.000 0.102 0.000 0.977 172 Q CA 1.595 57.428 55.803 0.050 0.000 0.850 172 Q CB -0.165 28.583 28.738 0.017 0.000 0.901 172 Q HN 0.311 nan 8.270 nan 0.000 0.429 173 M N 0.141 119.830 119.600 0.148 0.000 2.202 173 M HA -0.224 4.254 4.480 -0.003 0.000 0.262 173 M C 2.077 178.633 176.300 0.427 0.000 1.063 173 M CA 1.288 56.751 55.300 0.272 0.000 1.097 173 M CB -0.192 32.628 32.600 0.366 0.000 1.382 173 M HN 0.220 nan 8.290 nan 0.000 0.413 174 Q N -0.236 119.826 119.800 0.436 0.000 2.084 174 Q HA -0.144 4.195 4.340 -0.003 0.000 0.202 174 Q C 2.261 178.486 176.000 0.375 0.000 0.978 174 Q CA 1.555 57.673 55.803 0.524 0.000 0.844 174 Q CB -0.464 28.445 28.738 0.283 0.000 0.898 174 Q HN 0.429 nan 8.270 nan 0.000 0.426 175 V N 1.551 121.595 119.914 0.218 0.000 2.343 175 V HA -0.258 3.861 4.120 -0.003 0.000 0.247 175 V C 2.438 178.603 176.094 0.118 0.000 1.051 175 V CA 1.462 63.849 62.300 0.146 0.000 1.036 175 V CB -0.700 31.171 31.823 0.081 0.000 0.654 175 V HN 0.266 nan 8.190 nan 0.000 0.451 176 L N -0.699 120.586 121.223 0.102 0.000 1.989 176 L HA -0.187 4.152 4.340 -0.003 0.000 0.211 176 L C 2.468 179.348 176.870 0.017 0.000 1.071 176 L CA 1.454 56.322 54.840 0.047 0.000 0.749 176 L CB -0.718 41.364 42.059 0.038 0.000 0.890 176 L HN 0.267 nan 8.230 nan 0.000 0.431 177 L N -0.278 120.962 121.223 0.028 0.000 2.191 177 L HA -0.228 4.111 4.340 -0.003 0.000 0.212 177 L C 2.073 178.832 176.870 -0.185 0.000 1.103 177 L CA 1.552 56.296 54.840 -0.160 0.000 0.769 177 L CB -0.747 41.146 42.059 -0.276 0.000 0.908 177 L HN 0.363 nan 8.230 nan 0.000 0.438 178 D N -0.644 119.807 120.400 0.085 0.000 2.149 178 D HA -0.151 4.488 4.640 -0.003 0.000 0.201 178 D C 2.312 178.635 176.300 0.038 0.000 0.972 178 D CA 1.016 55.102 54.000 0.142 0.000 0.835 178 D CB 0.307 41.262 40.800 0.258 0.000 0.966 178 D HN 0.293 nan 8.370 nan 0.000 0.476 179 Q N -0.700 119.113 119.800 0.022 0.000 2.061 179 Q HA 0.144 4.482 4.340 -0.003 0.000 0.195 179 Q C 1.730 177.713 176.000 -0.028 0.000 0.967 179 Q CA 1.212 57.015 55.803 0.001 0.000 0.829 179 Q CB 0.129 28.870 28.738 0.004 0.000 0.900 179 Q HN 0.247 nan 8.270 nan 0.000 0.450 180 A N -0.693 122.100 122.820 -0.044 0.000 2.229 180 A HA 0.401 4.720 4.320 -0.003 0.000 0.211 180 A C 1.474 179.006 177.584 -0.087 0.000 1.193 180 A CA 0.780 52.788 52.037 -0.050 0.000 0.879 180 A CB 0.354 19.335 19.000 -0.031 0.000 0.911 180 A HN 0.448 nan 8.150 nan 0.000 0.492 181 G N -1.308 107.402 108.800 -0.150 0.000 2.179 181 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.260 181 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.260 181 G C 0.477 175.243 174.900 -0.224 0.000 0.977 181 G CA 0.696 45.649 45.100 -0.245 0.000 0.641 181 G HN 1.947 nan 8.290 nan 0.000 0.533 182 C N -1.541 117.678 119.300 -0.135 0.000 3.321 182 C HA 0.923 5.381 4.460 -0.003 0.000 0.329 182 C C 0.152 175.128 174.990 -0.024 0.000 1.394 182 C CA -0.678 58.290 59.018 -0.084 0.000 1.291 182 C CB 1.470 29.190 27.740 -0.032 0.000 1.606 182 C HN 2.040 nan 8.230 nan 0.000 0.463 183 C N 0.415 119.726 119.300 0.018 0.000 3.284 183 C HA 0.820 5.279 4.460 -0.003 0.000 0.338 183 C C -1.343 173.715 174.990 0.114 0.000 1.237 183 C CA -0.637 58.425 59.018 0.073 0.000 1.276 183 C CB 0.160 27.938 27.740 0.064 0.000 1.601 183 C HN 1.085 nan 8.230 nan 0.000 0.494 184 I N 3.074 123.755 120.570 0.185 0.000 2.439 184 I HA 0.645 4.813 4.170 -0.003 0.000 0.283 184 I C 0.028 176.277 176.117 0.221 0.000 1.023 184 I CA -0.461 60.952 61.300 0.188 0.000 1.100 184 I CB 1.611 39.716 38.000 0.175 0.000 1.238 184 I HN 0.855 nan 8.210 nan 0.000 0.445 185 V N 2.273 122.278 119.914 0.151 0.000 3.126 185 V HA 1.007 5.125 4.120 -0.003 0.000 0.314 185 V C 0.052 176.199 176.094 0.088 0.000 1.138 185 V CA -0.523 61.851 62.300 0.122 0.000 1.034 185 V CB 1.690 33.569 31.823 0.093 0.000 1.075 185 V HN 0.676 nan 8.190 nan 0.000 0.442 186 G N 1.040 109.874 108.800 0.058 0.000 2.509 186 G HA2 0.564 4.522 3.960 -0.003 0.000 0.328 186 G HA3 0.564 4.522 3.960 -0.003 0.000 0.328 186 G C -0.477 174.420 174.900 -0.006 0.000 1.194 186 G CA -0.760 44.346 45.100 0.009 0.000 0.967 186 G HN 1.048 nan 8.290 nan 0.000 0.488 187 Q N -0.366 119.405 119.800 -0.048 0.000 2.395 187 Q HA 0.386 4.724 4.340 -0.003 0.000 0.271 187 Q C -0.011 175.974 176.000 -0.025 0.000 1.026 187 Q CA 0.086 55.866 55.803 -0.038 0.000 0.900 187 Q CB 0.954 29.653 28.738 -0.064 0.000 1.266 187 Q HN 0.705 nan 8.270 nan 0.000 0.430 188 S N 0.240 115.932 115.700 -0.014 0.000 2.843 188 S HA 0.261 4.729 4.470 -0.003 0.000 0.301 188 S C 0.450 175.043 174.600 -0.012 0.000 1.206 188 S CA -0.610 57.583 58.200 -0.012 0.000 0.875 188 S CB 0.787 63.983 63.200 -0.007 0.000 1.248 188 S HN 0.609 nan 8.310 nan 0.000 0.555 189 E N 0.355 120.547 120.200 -0.013 0.000 2.274 189 E HA -0.077 4.272 4.350 -0.003 0.000 0.194 189 E C 1.302 177.892 176.600 -0.017 0.000 0.996 189 E CA 0.823 57.214 56.400 -0.016 0.000 0.840 189 E CB -0.117 29.573 29.700 -0.016 0.000 0.772 189 E HN 0.419 nan 8.360 nan 0.000 0.491 190 Q N -0.110 119.680 119.800 -0.017 0.000 2.297 190 Q HA 0.157 4.495 4.340 -0.003 0.000 0.203 190 Q C 0.747 176.736 176.000 -0.017 0.000 0.931 190 Q CA 0.492 56.283 55.803 -0.020 0.000 0.885 190 Q CB 0.519 29.242 28.738 -0.024 0.000 0.991 190 Q HN 0.244 nan 8.270 nan 0.000 0.498 191 L N 1.155 122.373 121.223 -0.009 0.000 2.294 191 L HA 0.288 4.626 4.340 -0.003 0.000 0.283 191 L C 0.118 176.989 176.870 0.000 0.000 1.015 191 L CA -0.847 53.993 54.840 0.000 0.000 0.831 191 L CB 1.860 43.927 42.059 0.015 0.000 1.217 191 L HN -0.224 nan 8.230 nan 0.000 0.420 192 V N 3.721 123.636 119.914 0.003 0.000 5.482 192 V HA -0.226 3.893 4.120 -0.003 0.000 0.262 192 V C -1.073 175.021 176.094 -0.000 0.000 0.664 192 V CA 0.558 62.861 62.300 0.006 0.000 0.609 192 V CB -1.450 30.381 31.823 0.014 0.000 0.306 192 V HN 0.796 nan 8.190 nan 0.000 0.731 193 P HA -0.185 nan 4.420 nan 0.000 0.218 193 P C 1.626 178.921 177.300 -0.008 0.000 1.148 193 P CA 2.155 65.248 63.100 -0.011 0.000 0.822 193 P CB 0.264 31.954 31.700 -0.018 0.000 0.784 194 A N 0.201 123.016 122.820 -0.009 0.000 1.969 194 A HA -0.208 4.110 4.320 -0.003 0.000 0.218 194 A C 2.173 179.774 177.584 0.030 0.000 1.169 194 A CA 2.077 54.107 52.037 -0.011 0.000 0.635 194 A CB -1.574 17.412 19.000 -0.023 0.000 0.810 194 A HN 0.166 nan 8.150 nan 0.000 0.445 195 D N -0.645 119.782 120.400 0.045 0.000 2.117 195 D HA -0.023 4.616 4.640 -0.003 0.000 0.198 195 D C 1.988 178.349 176.300 0.102 0.000 0.982 195 D CA 1.612 55.665 54.000 0.089 0.000 0.828 195 D CB -0.423 40.423 40.800 0.078 0.000 0.967 195 D HN 0.273 nan 8.370 nan 0.000 0.464 196 G N 1.013 109.831 108.800 0.031 0.000 2.446 196 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.217 196 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.217 196 G C 1.681 176.622 174.900 0.067 0.000 1.168 196 G CA 0.992 46.095 45.100 0.005 0.000 0.771 196 G HN 0.309 nan 8.290 nan 0.000 0.551 197 I N 0.302 120.902 120.570 0.051 0.000 2.099 197 I HA -0.136 4.032 4.170 -0.003 0.000 0.239 197 I C 2.737 178.910 176.117 0.093 0.000 1.066 197 I CA 1.039 62.371 61.300 0.052 0.000 1.324 197 I CB -1.017 36.990 38.000 0.011 0.000 1.037 197 I HN 0.075 nan 8.210 nan 0.000 0.401 198 L N -0.111 121.178 121.223 0.110 0.000 2.056 198 L HA -0.218 4.120 4.340 -0.003 0.000 0.207 198 L C 2.553 179.523 176.870 0.166 0.000 1.078 198 L CA 1.637 56.559 54.840 0.137 0.000 0.749 198 L CB -1.541 40.608 42.059 0.149 0.000 0.901 198 L HN 0.192 nan 8.230 nan 0.000 0.433 199 Y N 0.412 120.742 120.300 0.050 0.000 2.128 199 Y HA -0.313 4.236 4.550 -0.002 0.000 0.284 199 Y C 2.412 178.338 175.900 0.043 0.000 1.154 199 Y CA 1.742 59.870 58.100 0.048 0.000 1.149 199 Y CB -0.356 38.134 38.460 0.050 0.000 0.976 199 Y HN 0.147 nan 8.280 nan 0.000 0.505 200 A N -0.052 122.955 122.820 0.312 0.000 1.933 200 A HA -0.066 4.252 4.320 -0.003 0.000 0.218 200 A C 2.390 180.045 177.584 0.118 0.000 1.175 200 A CA 1.771 53.930 52.037 0.204 0.000 0.628 200 A CB -1.364 17.719 19.000 0.139 0.000 0.814 200 A HN 0.575 nan 8.150 nan 0.000 0.444 201 A N -0.215 122.665 122.820 0.100 0.000 1.872 201 A HA -0.082 4.236 4.320 -0.003 0.000 0.214 201 A C 2.211 179.824 177.584 0.048 0.000 1.187 201 A CA 1.324 53.404 52.037 0.072 0.000 0.614 201 A CB -0.434 18.613 19.000 0.078 0.000 0.826 201 A HN 0.513 nan 8.150 nan 0.000 0.442 202 R N -0.386 120.133 120.500 0.031 0.000 2.091 202 R HA -0.187 4.151 4.340 -0.003 0.000 0.238 202 R C 1.990 178.262 176.300 -0.047 0.000 1.136 202 R CA 1.515 57.604 56.100 -0.019 0.000 0.959 202 R CB -0.481 29.782 30.300 -0.062 0.000 0.856 202 R HN 0.620 nan 8.270 nan 0.000 0.437 203 D N 0.320 120.686 120.400 -0.056 0.000 2.170 203 D HA -0.156 4.482 4.640 -0.003 0.000 0.193 203 D C 1.352 177.661 176.300 0.015 0.000 1.004 203 D CA 1.799 55.778 54.000 -0.035 0.000 0.860 203 D CB 0.164 40.977 40.800 0.023 0.000 0.931 203 D HN 0.219 nan 8.370 nan 0.000 0.448 204 V N -2.723 117.210 119.914 0.032 0.000 3.276 204 V HA 0.390 4.508 4.120 -0.003 0.000 0.319 204 V C 0.952 177.068 176.094 0.037 0.000 1.427 204 V CA 0.678 63.008 62.300 0.050 0.000 1.102 204 V CB -0.003 31.856 31.823 0.061 0.000 1.020 204 V HN 0.269 nan 8.190 nan 0.000 0.456 205 T N -3.155 111.412 114.554 0.023 0.000 3.170 205 T HA 0.634 4.982 4.350 -0.003 0.000 0.288 205 T C 0.981 175.687 174.700 0.010 0.000 0.992 205 T CA 0.537 62.650 62.100 0.021 0.000 0.909 205 T CB 0.482 69.366 68.868 0.027 0.000 1.133 205 T HN 1.790 nan 8.240 nan 0.000 0.530 206 A N 1.157 123.976 122.820 -0.001 0.000 2.791 206 A HA -0.138 4.180 4.320 -0.003 0.000 0.292 206 A C 1.139 178.716 177.584 -0.011 0.000 1.487 206 A CA 1.198 53.229 52.037 -0.009 0.000 0.760 206 A CB -2.649 16.351 19.000 0.001 0.000 1.031 206 A HN 1.384 nan 8.150 nan 0.000 0.503 207 T N -4.368 110.174 114.554 -0.020 0.000 3.231 207 T HA 0.421 4.769 4.350 -0.003 0.000 0.292 207 T C 1.193 175.870 174.700 -0.038 0.000 1.001 207 T CA 0.609 62.701 62.100 -0.014 0.000 0.920 207 T CB 0.135 69.005 68.868 0.004 0.000 1.140 207 T HN 0.588 nan 8.240 nan 0.000 0.525 208 V N 2.886 122.752 119.914 -0.078 0.000 2.307 208 V HA -0.066 4.052 4.120 -0.003 0.000 0.245 208 V C 1.734 177.749 176.094 -0.132 0.000 1.045 208 V CA 1.973 64.193 62.300 -0.133 0.000 1.024 208 V CB -0.495 31.215 31.823 -0.190 0.000 0.651 208 V HN 0.748 nan 8.190 nan 0.000 0.449 209 D N 0.317 120.641 120.400 -0.127 0.000 2.994 209 D HA 0.078 4.716 4.640 -0.003 0.000 0.240 209 D C 0.150 176.514 176.300 0.108 0.000 1.195 209 D CA 0.220 54.116 54.000 -0.172 0.000 0.957 209 D CB 0.457 41.122 40.800 -0.225 0.000 1.105 209 D HN 0.293 nan 8.370 nan 0.000 0.477 210 S N 1.120 116.890 115.700 0.118 0.000 2.498 210 S HA 0.185 4.654 4.470 -0.003 0.000 0.317 210 S C 0.918 175.638 174.600 0.201 0.000 1.090 210 S CA -0.834 57.461 58.200 0.159 0.000 1.089 210 S CB 1.018 64.263 63.200 0.074 0.000 0.997 210 S HN 0.190 nan 8.310 nan 0.000 0.470 211 L N 6.628 127.979 121.223 0.213 0.000 1.990 211 L HA 0.061 4.399 4.340 -0.003 0.000 0.213 211 L C -0.727 176.202 176.870 0.099 0.000 1.072 211 L CA 2.353 57.284 54.840 0.152 0.000 0.755 211 L CB -1.970 40.109 42.059 0.034 0.000 0.889 211 L HN 0.571 nan 8.230 nan 0.000 0.432 212 P HA -0.157 nan 4.420 nan 0.000 0.217 212 P C 2.274 179.609 177.300 0.060 0.000 1.150 212 P CA 1.341 64.472 63.100 0.052 0.000 0.832 212 P CB 0.028 31.748 31.700 0.034 0.000 0.787 213 L N -1.001 120.259 121.223 0.063 0.000 2.056 213 L HA -0.111 4.228 4.340 -0.003 0.000 0.207 213 L C 2.808 179.716 176.870 0.063 0.000 1.078 213 L CA 1.214 56.091 54.840 0.061 0.000 0.749 213 L CB -0.781 41.307 42.059 0.048 0.000 0.901 213 L HN -0.149 nan 8.230 nan 0.000 0.433 214 I N -0.559 120.055 120.570 0.072 0.000 2.179 214 I HA -0.276 3.892 4.170 -0.003 0.000 0.242 214 I C 2.540 178.702 176.117 0.076 0.000 1.088 214 I CA 1.570 62.915 61.300 0.074 0.000 1.357 214 I CB -0.625 37.441 38.000 0.111 0.000 1.051 214 I HN 0.239 nan 8.210 nan 0.000 0.409 215 T N 0.916 115.518 114.554 0.079 0.000 2.652 215 T HA -0.229 4.120 4.350 -0.003 0.000 0.267 215 T C 2.061 176.790 174.700 0.047 0.000 1.039 215 T CA 1.704 63.841 62.100 0.062 0.000 1.153 215 T CB -0.451 68.451 68.868 0.058 0.000 0.863 215 T HN 0.494 nan 8.240 nan 0.000 0.428 216 A N 0.823 123.674 122.820 0.053 0.000 1.933 216 A HA -0.077 4.241 4.320 -0.003 0.000 0.218 216 A C 2.575 180.191 177.584 0.053 0.000 1.175 216 A CA 2.091 54.159 52.037 0.053 0.000 0.628 216 A CB -0.994 18.044 19.000 0.063 0.000 0.814 216 A HN 0.448 nan 8.150 nan 0.000 0.444 217 S N -0.436 115.304 115.700 0.067 0.000 2.345 217 S HA -0.098 4.371 4.470 -0.003 0.000 0.220 217 S C 1.943 176.562 174.600 0.031 0.000 1.031 217 S CA 1.362 59.615 58.200 0.089 0.000 0.996 217 S CB -0.474 62.810 63.200 0.139 0.000 0.882 217 S HN 0.481 nan 8.310 nan 0.000 0.445 218 I N 0.962 121.521 120.570 -0.019 0.000 2.113 218 I HA -0.151 4.017 4.170 -0.003 0.000 0.238 218 I C 2.168 178.194 176.117 -0.151 0.000 1.070 218 I CA 0.923 62.110 61.300 -0.189 0.000 1.332 218 I CB -0.369 37.552 38.000 -0.131 0.000 1.044 218 I HN 0.306 nan 8.210 nan 0.000 0.402 219 L N 0.809 122.002 121.223 -0.049 0.000 2.141 219 L HA -0.161 4.177 4.340 -0.003 0.000 0.209 219 L C 2.874 179.743 176.870 -0.002 0.000 1.094 219 L CA 2.015 56.845 54.840 -0.016 0.000 0.763 219 L CB -1.139 40.927 42.059 0.013 0.000 0.908 219 L HN 0.358 nan 8.230 nan 0.000 0.437 220 S N -1.145 114.559 115.700 0.006 0.000 2.368 220 S HA -0.222 4.246 4.470 -0.003 0.000 0.225 220 S C 1.999 176.609 174.600 0.018 0.000 1.030 220 S CA 0.941 59.152 58.200 0.020 0.000 0.999 220 S CB -0.397 62.822 63.200 0.031 0.000 0.844 220 S HN 0.391 nan 8.310 nan 0.000 0.459 221 K N 1.038 121.439 120.400 0.002 0.000 2.057 221 K HA -0.005 4.313 4.320 -0.003 0.000 0.207 221 K C 2.219 178.842 176.600 0.038 0.000 1.049 221 K CA 1.257 57.553 56.287 0.016 0.000 0.931 221 K CB -0.077 32.422 32.500 -0.001 0.000 0.714 221 K HN 0.281 nan 8.250 nan 0.000 0.440 222 K N 0.396 120.804 120.400 0.014 0.000 2.167 222 K HA -0.022 4.296 4.320 -0.003 0.000 0.203 222 K C 1.981 178.623 176.600 0.070 0.000 1.052 222 K CA 0.530 56.847 56.287 0.050 0.000 0.956 222 K CB -0.139 32.379 32.500 0.030 0.000 0.735 222 K HN 0.041 nan 8.250 nan 0.000 0.451 223 L N 1.193 122.448 121.223 0.053 0.000 2.093 223 L HA -0.117 4.221 4.340 -0.003 0.000 0.208 223 L C 2.344 179.255 176.870 0.070 0.000 1.085 223 L CA 1.318 56.192 54.840 0.057 0.000 0.755 223 L CB -1.049 41.034 42.059 0.040 0.000 0.904 223 L HN 0.014 nan 8.230 nan 0.000 0.435 224 V N -3.561 116.394 119.914 0.068 0.000 3.041 224 V HA -0.106 4.012 4.120 -0.003 0.000 0.260 224 V C 1.880 178.047 176.094 0.121 0.000 1.105 224 V CA 1.025 63.365 62.300 0.067 0.000 1.125 224 V CB -0.726 31.122 31.823 0.042 0.000 0.730 224 V HN 0.478 nan 8.190 nan 0.000 0.479 225 E N 1.646 121.957 120.200 0.184 0.000 2.418 225 E HA 0.198 4.546 4.350 -0.003 0.000 0.197 225 E C 1.498 178.376 176.600 0.463 0.000 1.026 225 E CA 0.464 57.066 56.400 0.337 0.000 0.862 225 E CB -0.328 29.531 29.700 0.264 0.000 0.799 225 E HN 0.870 nan 8.360 nan 0.000 0.518 226 G N 1.974 110.944 108.800 0.284 0.000 2.351 226 G HA2 -0.278 3.681 3.960 -0.003 0.000 0.297 226 G HA3 -0.278 3.681 3.960 -0.003 0.000 0.297 226 G C -0.094 174.955 174.900 0.248 0.000 1.054 226 G CA -0.024 45.242 45.100 0.275 0.000 1.123 226 G HN 0.101 nan 8.290 nan 0.000 0.512 227 L N -0.036 121.284 121.223 0.162 0.000 2.399 227 L HA 0.520 4.858 4.340 -0.003 0.000 0.266 227 L C 1.865 178.786 176.870 0.085 0.000 1.114 227 L CA -0.176 54.730 54.840 0.108 0.000 0.804 227 L CB 1.444 43.556 42.059 0.087 0.000 1.146 227 L HN 0.390 nan 8.230 nan 0.000 0.451 228 S N 0.003 115.743 115.700 0.066 0.000 2.478 228 S HA 0.352 4.820 4.470 -0.003 0.000 0.222 228 S C 0.497 175.113 174.600 0.026 0.000 1.008 228 S CA 0.195 58.421 58.200 0.044 0.000 0.928 228 S CB 0.272 63.496 63.200 0.041 0.000 0.781 228 S HN 0.704 nan 8.310 nan 0.000 0.518 229 A N 0.514 123.356 122.820 0.037 0.000 2.547 229 A HA 0.727 5.046 4.320 -0.003 0.000 0.297 229 A C -1.675 175.941 177.584 0.052 0.000 1.056 229 A CA -0.687 51.369 52.037 0.033 0.000 0.688 229 A CB 1.442 20.454 19.000 0.021 0.000 1.282 229 A HN 0.495 nan 8.150 nan 0.000 0.400 230 L N 2.150 123.409 121.223 0.060 0.000 2.386 230 L HA 0.824 5.162 4.340 -0.003 0.000 0.271 230 L C -1.400 175.523 176.870 0.088 0.000 0.993 230 L CA -0.458 54.428 54.840 0.076 0.000 0.819 230 L CB 2.158 44.262 42.059 0.075 0.000 1.294 230 L HN 0.514 nan 8.230 nan 0.000 0.414 231 V N 5.283 125.256 119.914 0.099 0.000 2.417 231 V HA 0.552 4.670 4.120 -0.003 0.000 0.291 231 V C -0.588 175.578 176.094 0.120 0.000 1.024 231 V CA -0.699 61.665 62.300 0.108 0.000 0.861 231 V CB 1.855 33.741 31.823 0.105 0.000 0.985 231 V HN 0.597 nan 8.190 nan 0.000 0.436 232 V N 4.368 124.355 119.914 0.123 0.000 2.417 232 V HA 0.524 4.643 4.120 -0.003 0.000 0.291 232 V C -0.699 175.473 176.094 0.130 0.000 1.024 232 V CA -0.397 61.988 62.300 0.142 0.000 0.861 232 V CB 1.904 33.810 31.823 0.139 0.000 0.985 232 V HN 1.005 nan 8.190 nan 0.000 0.436 233 D N 5.982 126.457 120.400 0.126 0.000 2.359 233 D HA 0.351 4.990 4.640 -0.003 0.000 0.230 233 D C -0.638 175.739 176.300 0.128 0.000 1.118 233 D CA -0.001 54.067 54.000 0.113 0.000 0.844 233 D CB 1.407 42.256 40.800 0.082 0.000 1.059 233 D HN 0.333 nan 8.370 nan 0.000 0.493 234 V N 5.438 125.443 119.914 0.151 0.000 2.370 234 V HA 0.336 4.455 4.120 -0.003 0.000 0.283 234 V C 0.500 176.715 176.094 0.202 0.000 1.023 234 V CA -0.782 61.624 62.300 0.177 0.000 0.857 234 V CB 1.179 33.117 31.823 0.192 0.000 0.985 234 V HN 0.497 nan 8.190 nan 0.000 0.443 235 K N 4.667 125.173 120.400 0.177 0.000 2.185 235 K HA 0.807 5.125 4.320 -0.003 0.000 0.240 235 K C -0.769 175.990 176.600 0.265 0.000 0.983 235 K CA -0.540 55.843 56.287 0.161 0.000 0.873 235 K CB 2.174 34.699 32.500 0.042 0.000 1.118 235 K HN 0.518 nan 8.250 nan 0.000 0.441 236 F N -2.201 117.782 119.950 0.055 0.000 2.679 236 F HA 0.791 5.316 4.527 -0.003 0.000 0.341 236 F C 0.214 176.016 175.800 0.004 0.000 1.095 236 F CA -0.446 57.576 58.000 0.037 0.000 1.004 236 F CB 1.070 40.075 39.000 0.007 0.000 1.388 236 F HN 0.884 nan 8.300 nan 0.000 0.505 237 G N -0.227 108.632 108.800 0.098 0.000 2.710 237 G HA2 0.232 4.190 3.960 -0.003 0.000 0.668 237 G HA3 0.232 4.190 3.960 -0.003 0.000 0.668 237 G C 0.401 175.308 174.900 0.012 0.000 1.320 237 G CA -0.065 45.018 45.100 -0.028 0.000 0.860 237 G HN 1.717 nan 8.290 nan 0.000 0.538 238 A N -0.649 122.169 122.820 -0.004 0.000 1.978 238 A HA 0.228 4.546 4.320 -0.003 0.000 0.220 238 A C 2.762 180.362 177.584 0.026 0.000 1.170 238 A CA 2.716 54.761 52.037 0.013 0.000 0.636 238 A CB -0.804 18.195 19.000 -0.001 0.000 0.810 238 A HN 2.403 nan 8.150 nan 0.000 0.448 239 G N -1.246 107.561 108.800 0.011 0.000 2.744 239 G HA2 0.363 4.321 3.960 -0.003 0.000 0.211 239 G HA3 0.363 4.321 3.960 -0.003 0.000 0.211 239 G C 0.604 175.530 174.900 0.043 0.000 1.143 239 G CA 0.784 45.899 45.100 0.025 0.000 0.788 239 G HN 0.829 nan 8.290 nan 0.000 0.534 240 A N -0.756 122.094 122.820 0.050 0.000 2.256 240 A HA 0.634 4.953 4.320 -0.003 0.000 0.318 240 A C 1.398 178.996 177.584 0.024 0.000 1.103 240 A CA -0.368 51.700 52.037 0.051 0.000 0.860 240 A CB 1.279 20.337 19.000 0.096 0.000 1.182 240 A HN 0.079 nan 8.150 nan 0.000 0.501 241 V N -0.732 119.142 119.914 -0.066 0.000 2.358 241 V HA -0.103 4.015 4.120 -0.003 0.000 0.246 241 V C 0.280 176.157 176.094 -0.361 0.000 1.047 241 V CA 1.558 63.691 62.300 -0.278 0.000 1.035 241 V CB -0.799 30.778 31.823 -0.410 0.000 0.658 241 V HN 0.593 nan 8.190 nan 0.000 0.452 242 F N -0.341 119.648 119.950 0.065 0.000 2.451 242 F HA 0.374 4.900 4.527 -0.003 0.000 0.367 242 F C -1.733 174.128 175.800 0.101 0.000 1.100 242 F CA -1.775 56.267 58.000 0.069 0.000 1.171 242 F CB 1.333 40.368 39.000 0.059 0.000 1.405 242 F HN 0.046 nan 8.300 nan 0.000 0.482 243 P HA -0.192 nan 4.420 nan 0.000 0.218 243 P C 0.046 177.479 177.300 0.223 0.000 1.146 243 P CA 1.076 64.294 63.100 0.196 0.000 0.813 243 P CB 0.095 31.871 31.700 0.125 0.000 0.778 244 N N -0.182 118.631 118.700 0.188 0.000 2.452 244 N HA -0.039 4.699 4.740 -0.003 0.000 0.266 244 N C 1.225 176.758 175.510 0.038 0.000 1.175 244 N CA 0.059 53.169 53.050 0.100 0.000 0.945 244 N CB 0.258 38.776 38.487 0.051 0.000 1.063 244 N HN -0.037 nan 8.380 nan 0.000 0.472 245 Q N 2.007 121.748 119.800 -0.100 0.000 2.112 245 Q HA -0.284 4.054 4.340 -0.003 0.000 0.206 245 Q C 1.084 176.876 176.000 -0.346 0.000 0.987 245 Q CA 1.704 57.196 55.803 -0.518 0.000 0.858 245 Q CB 0.016 28.211 28.738 -0.905 0.000 0.905 245 Q HN 0.766 nan 8.270 nan 0.000 0.420 246 E N 0.342 120.408 120.200 -0.222 0.000 2.077 246 E HA -0.204 4.144 4.350 -0.003 0.000 0.193 246 E C 1.869 178.364 176.600 -0.175 0.000 0.989 246 E CA 1.631 57.926 56.400 -0.175 0.000 0.800 246 E CB -0.060 29.561 29.700 -0.131 0.000 0.746 246 E HN 0.410 nan 8.360 nan 0.000 0.452 247 Q N -0.633 119.050 119.800 -0.193 0.000 2.084 247 Q HA -0.136 4.202 4.340 -0.003 0.000 0.202 247 Q C 2.116 177.920 176.000 -0.326 0.000 0.978 247 Q CA 1.495 57.089 55.803 -0.349 0.000 0.844 247 Q CB -0.200 28.256 28.738 -0.469 0.000 0.898 247 Q HN 0.400 nan 8.270 nan 0.000 0.426 248 A N 1.048 123.805 122.820 -0.105 0.000 1.897 248 A HA -0.190 4.128 4.320 -0.003 0.000 0.215 248 A C 1.997 179.585 177.584 0.007 0.000 1.181 248 A CA 1.373 53.443 52.037 0.055 0.000 0.620 248 A CB -0.488 18.637 19.000 0.208 0.000 0.821 248 A HN 0.250 nan 8.150 nan 0.000 0.443 249 R N -0.121 120.337 120.500 -0.071 0.000 2.083 249 R HA -0.196 4.143 4.340 -0.003 0.000 0.237 249 R C 2.175 178.451 176.300 -0.039 0.000 1.137 249 R CA 1.911 57.981 56.100 -0.050 0.000 0.951 249 R CB -0.345 29.898 30.300 -0.093 0.000 0.851 249 R HN 0.680 nan 8.270 nan 0.000 0.434 250 E N 0.125 120.277 120.200 -0.080 0.000 2.077 250 E HA -0.222 4.127 4.350 -0.003 0.000 0.193 250 E C 1.972 178.541 176.600 -0.052 0.000 0.989 250 E CA 1.275 57.629 56.400 -0.077 0.000 0.800 250 E CB -0.060 29.567 29.700 -0.122 0.000 0.746 250 E HN 0.308 nan 8.360 nan 0.000 0.452 251 L N 0.789 121.979 121.223 -0.055 0.000 2.046 251 L HA -0.089 4.250 4.340 -0.003 0.000 0.208 251 L C 2.246 179.152 176.870 0.059 0.000 1.077 251 L CA 2.165 57.016 54.840 0.018 0.000 0.747 251 L CB -0.719 41.395 42.059 0.093 0.000 0.896 251 L HN 0.120 nan 8.230 nan 0.000 0.432 252 A N -0.378 122.481 122.820 0.065 0.000 1.883 252 A HA -0.245 4.073 4.320 -0.003 0.000 0.217 252 A C 2.316 179.933 177.584 0.056 0.000 1.186 252 A CA 2.119 54.202 52.037 0.077 0.000 0.624 252 A CB -0.544 18.510 19.000 0.089 0.000 0.822 252 A HN 0.544 nan 8.150 nan 0.000 0.444 253 K N -0.952 119.469 120.400 0.034 0.000 2.148 253 K HA -0.065 4.253 4.320 -0.003 0.000 0.204 253 K C 2.037 178.652 176.600 0.025 0.000 1.050 253 K CA 1.582 57.885 56.287 0.027 0.000 0.942 253 K CB -0.349 32.158 32.500 0.010 0.000 0.724 253 K HN 0.486 nan 8.250 nan 0.000 0.446 254 T N 2.093 116.660 114.554 0.022 0.000 2.777 254 T HA -0.071 4.278 4.350 -0.003 0.000 0.266 254 T C 1.916 176.637 174.700 0.036 0.000 1.040 254 T CA 0.933 63.047 62.100 0.023 0.000 1.141 254 T CB -0.171 68.708 68.868 0.018 0.000 0.868 254 T HN 0.085 nan 8.240 nan 0.000 0.444 255 L N 0.695 121.947 121.223 0.048 0.000 2.046 255 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 255 L C 2.646 179.545 176.870 0.049 0.000 1.077 255 L CA 0.923 55.795 54.840 0.054 0.000 0.747 255 L CB -0.590 41.511 42.059 0.070 0.000 0.896 255 L HN 0.147 nan 8.230 nan 0.000 0.432 256 V N -0.278 119.666 119.914 0.051 0.000 2.379 256 V HA -0.151 3.967 4.120 -0.003 0.000 0.245 256 V C 2.538 178.656 176.094 0.039 0.000 1.044 256 V CA 1.928 64.257 62.300 0.049 0.000 1.036 256 V CB -1.075 30.780 31.823 0.054 0.000 0.664 256 V HN 0.549 nan 8.190 nan 0.000 0.453 257 G N -0.330 108.490 108.800 0.033 0.000 2.404 257 G HA2 -0.161 3.798 3.960 -0.003 0.000 0.215 257 G HA3 -0.161 3.798 3.960 -0.003 0.000 0.215 257 G C 1.664 176.579 174.900 0.025 0.000 1.174 257 G CA 1.161 46.277 45.100 0.026 0.000 0.780 257 G HN 0.355 nan 8.290 nan 0.000 0.537 258 V N 1.657 121.587 119.914 0.027 0.000 2.307 258 V HA -0.033 4.085 4.120 -0.003 0.000 0.245 258 V C 3.175 179.286 176.094 0.028 0.000 1.045 258 V CA 1.888 64.203 62.300 0.026 0.000 1.024 258 V CB -1.146 30.694 31.823 0.028 0.000 0.651 258 V HN 0.423 nan 8.190 nan 0.000 0.449 259 G N 0.140 108.959 108.800 0.032 0.000 2.553 259 G HA2 -0.343 3.616 3.960 -0.003 0.000 0.218 259 G HA3 -0.343 3.616 3.960 -0.003 0.000 0.218 259 G C 1.796 176.714 174.900 0.030 0.000 1.195 259 G CA 1.557 46.677 45.100 0.033 0.000 0.779 259 G HN 0.633 nan 8.290 nan 0.000 0.577 260 A N 0.974 123.811 122.820 0.029 0.000 1.908 260 A HA -0.090 4.228 4.320 -0.003 0.000 0.218 260 A C 2.766 180.362 177.584 0.021 0.000 1.181 260 A CA 3.036 55.087 52.037 0.024 0.000 0.627 260 A CB -0.923 18.091 19.000 0.024 0.000 0.818 260 A HN 1.016 nan 8.150 nan 0.000 0.445 261 S N -0.540 115.172 115.700 0.021 0.000 2.442 261 S HA 0.013 4.481 4.470 -0.003 0.000 0.236 261 S C 1.401 176.012 174.600 0.019 0.000 1.007 261 S CA 1.322 59.533 58.200 0.018 0.000 0.965 261 S CB -0.454 62.756 63.200 0.018 0.000 0.773 261 S HN 0.432 nan 8.310 nan 0.000 0.504 262 L N 0.744 121.980 121.223 0.022 0.000 2.628 262 L HA 0.396 4.734 4.340 -0.003 0.000 0.229 262 L C 1.638 178.523 176.870 0.024 0.000 1.137 262 L CA 0.271 55.125 54.840 0.023 0.000 0.909 262 L CB -0.121 41.954 42.059 0.026 0.000 1.137 262 L HN 0.586 nan 8.230 nan 0.000 0.470 263 G N 0.684 109.498 108.800 0.023 0.000 2.141 263 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.231 263 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.231 263 G C -0.385 174.531 174.900 0.026 0.000 0.984 263 G CA -0.117 44.996 45.100 0.023 0.000 0.660 263 G HN 0.153 nan 8.290 nan 0.000 0.525 264 L N 0.607 121.847 121.223 0.029 0.000 2.317 264 L HA 0.792 5.130 4.340 -0.003 0.000 0.281 264 L C 0.647 177.534 176.870 0.028 0.000 1.024 264 L CA -1.455 53.405 54.840 0.033 0.000 0.810 264 L CB 1.314 43.397 42.059 0.040 0.000 1.240 264 L HN 0.208 nan 8.230 nan 0.000 0.427 265 R N 4.134 124.648 120.500 0.024 0.000 2.272 265 R HA 0.530 4.868 4.340 -0.003 0.000 0.334 265 R C -1.572 174.746 176.300 0.030 0.000 1.117 265 R CA -0.202 55.907 56.100 0.014 0.000 0.966 265 R CB 0.010 30.305 30.300 -0.008 0.000 1.049 265 R HN 0.574 nan 8.270 nan 0.000 0.477 266 V N 3.152 123.090 119.914 0.041 0.000 2.555 266 V HA 0.770 4.889 4.120 -0.003 0.000 0.302 266 V C -0.189 175.949 176.094 0.073 0.000 1.038 266 V CA -0.945 61.390 62.300 0.059 0.000 0.887 266 V CB 1.672 33.530 31.823 0.058 0.000 0.991 266 V HN 0.849 nan 8.190 nan 0.000 0.434 267 A N 2.838 125.714 122.820 0.093 0.000 2.413 267 A HA 1.002 5.320 4.320 -0.003 0.000 0.307 267 A C -0.301 177.347 177.584 0.108 0.000 1.087 267 A CA -0.370 51.735 52.037 0.113 0.000 0.750 267 A CB 1.808 20.902 19.000 0.157 0.000 1.296 267 A HN 1.449 nan 8.150 nan 0.000 0.423 268 A N 0.343 123.225 122.820 0.105 0.000 2.340 268 A HA 0.826 5.144 4.320 -0.003 0.000 0.331 268 A C -0.014 177.635 177.584 0.109 0.000 1.140 268 A CA -0.021 52.081 52.037 0.108 0.000 0.801 268 A CB 1.169 20.232 19.000 0.105 0.000 1.234 268 A HN 2.263 nan 8.150 nan 0.000 0.469 269 A N 2.146 125.035 122.820 0.116 0.000 2.291 269 A HA 0.612 4.930 4.320 -0.003 0.000 0.311 269 A C -0.626 177.057 177.584 0.165 0.000 1.224 269 A CA -0.335 51.771 52.037 0.116 0.000 0.821 269 A CB 0.324 19.378 19.000 0.090 0.000 1.172 269 A HN 0.830 nan 8.150 nan 0.000 0.494 270 L N 3.651 125.004 121.223 0.217 0.000 2.283 270 L HA 0.384 4.722 4.340 -0.003 0.000 0.287 270 L C 0.265 177.423 176.870 0.479 0.000 1.073 270 L CA -0.064 54.986 54.840 0.351 0.000 0.822 270 L CB 1.086 43.373 42.059 0.381 0.000 1.186 270 L HN 0.855 nan 8.230 nan 0.000 0.436 271 T N 1.177 115.948 114.554 0.362 0.000 2.809 271 T HA 0.642 4.991 4.350 -0.003 0.000 0.284 271 T C -0.057 174.569 174.700 -0.123 0.000 0.992 271 T CA -0.776 61.498 62.100 0.289 0.000 0.957 271 T CB 1.723 70.680 68.868 0.148 0.000 0.942 271 T HN 0.579 nan 8.240 nan 0.000 0.439 272 A N 4.756 127.260 122.820 -0.527 0.000 2.477 272 A HA 0.663 4.982 4.320 -0.003 0.000 0.246 272 A C 0.097 177.404 177.584 -0.462 0.000 1.078 272 A CA -0.524 50.792 52.037 -1.203 0.000 0.770 272 A CB -0.113 18.023 19.000 -1.439 0.000 1.011 272 A HN 1.090 nan 8.150 nan 0.000 0.494 273 M N 2.885 122.250 119.600 -0.393 0.000 2.310 273 M HA 0.221 4.700 4.480 -0.003 0.000 0.242 273 M C -1.219 175.004 176.300 -0.129 0.000 1.000 273 M CA -0.334 54.861 55.300 -0.176 0.000 0.970 273 M CB 1.406 33.946 32.600 -0.100 0.000 2.191 273 M HN 0.747 nan 8.290 nan 0.000 0.470 274 D N 2.683 123.028 120.400 -0.092 0.000 2.355 274 D HA 0.085 4.723 4.640 -0.003 0.000 0.206 274 D C 0.045 176.334 176.300 -0.018 0.000 1.010 274 D CA 0.744 54.713 54.000 -0.051 0.000 0.875 274 D CB 0.530 41.304 40.800 -0.044 0.000 0.966 274 D HN 0.611 nan 8.370 nan 0.000 0.512 275 K N 1.008 121.401 120.400 -0.011 0.000 2.185 275 K HA 0.582 4.900 4.320 -0.003 0.000 0.240 275 K C -2.941 173.665 176.600 0.010 0.000 0.983 275 K CA -1.867 54.426 56.287 0.010 0.000 0.873 275 K CB 1.344 33.856 32.500 0.020 0.000 1.118 275 K HN -0.351 nan 8.250 nan 0.000 0.441 276 P HA -0.046 nan 4.420 nan 0.000 0.269 276 P C -0.829 176.474 177.300 0.006 0.000 1.215 276 P CA -0.457 62.652 63.100 0.015 0.000 0.780 276 P CB 0.329 32.043 31.700 0.022 0.000 0.898 277 L N 2.625 123.846 121.223 -0.004 0.000 2.360 277 L HA 0.447 4.786 4.340 -0.003 0.000 0.276 277 L C 0.998 177.860 176.870 -0.013 0.000 1.121 277 L CA 1.473 56.307 54.840 -0.010 0.000 0.845 277 L CB -0.758 41.292 42.059 -0.016 0.000 1.143 277 L HN 0.799 nan 8.230 nan 0.000 0.452 278 G N 5.012 113.806 108.800 -0.011 0.000 2.562 278 G HA2 -0.286 3.673 3.960 -0.003 0.000 0.250 278 G HA3 -0.286 3.673 3.960 -0.003 0.000 0.250 278 G C 0.543 175.441 174.900 -0.004 0.000 1.269 278 G CA 0.312 45.404 45.100 -0.014 0.000 0.919 278 G HN 0.730 nan 8.290 nan 0.000 0.574 279 R N -1.331 119.164 120.500 -0.008 0.000 2.394 279 R HA 0.318 4.657 4.340 -0.003 0.000 0.220 279 R C 0.267 176.566 176.300 -0.002 0.000 0.887 279 R CA 0.513 56.615 56.100 0.003 0.000 1.034 279 R CB 0.610 30.912 30.300 0.003 0.000 1.179 279 R HN 0.393 nan 8.270 nan 0.000 0.561 280 C N 1.980 121.269 119.300 -0.019 0.000 2.303 280 C HA 0.603 5.061 4.460 -0.003 0.000 0.326 280 C C 0.108 175.072 174.990 -0.043 0.000 1.285 280 C CA -0.614 58.385 59.018 -0.032 0.000 1.675 280 C CB 1.570 29.280 27.740 -0.051 0.000 2.289 280 C HN 0.039 nan 8.230 nan 0.000 0.512 281 V N 3.887 123.777 119.914 -0.040 0.000 2.540 281 V HA 0.971 5.090 4.120 -0.003 0.000 0.302 281 V C 0.565 176.608 176.094 -0.085 0.000 1.035 281 V CA 0.684 62.949 62.300 -0.059 0.000 0.873 281 V CB 1.073 32.882 31.823 -0.024 0.000 0.992 281 V HN 1.297 nan 8.190 nan 0.000 0.428 282 G N 3.433 112.126 108.800 -0.178 0.000 2.384 282 G HA2 0.073 4.031 3.960 -0.003 0.000 0.150 282 G HA3 0.073 4.031 3.960 -0.003 0.000 0.150 282 G C -0.292 174.298 174.900 -0.516 0.000 1.269 282 G CA 0.327 45.281 45.100 -0.243 0.000 1.094 282 G HN 0.657 nan 8.290 nan 0.000 0.467 283 H N -0.860 118.188 119.070 -0.037 0.000 2.286 283 H HA 0.593 5.148 4.556 -0.003 0.000 0.163 283 H C 2.649 177.946 175.328 -0.052 0.000 1.015 283 H CA 1.284 57.309 56.048 -0.039 0.000 1.107 283 H CB -0.371 29.372 29.762 -0.031 0.000 1.050 283 H HN 0.698 nan 8.280 nan 0.000 0.360 284 A N 1.461 124.327 122.820 0.077 0.000 1.892 284 A HA -0.167 4.152 4.320 -0.003 0.000 0.218 284 A C 2.105 179.664 177.584 -0.043 0.000 1.188 284 A CA 1.868 53.906 52.037 0.002 0.000 0.631 284 A CB -1.118 17.870 19.000 -0.019 0.000 0.822 284 A HN 0.319 nan 8.150 nan 0.000 0.447 285 L N -0.911 120.265 121.223 -0.078 0.000 2.083 285 L HA -0.211 4.127 4.340 -0.003 0.000 0.209 285 L C 2.589 179.409 176.870 -0.083 0.000 1.083 285 L CA 1.662 56.437 54.840 -0.109 0.000 0.752 285 L CB -0.585 41.388 42.059 -0.143 0.000 0.899 285 L HN 0.492 nan 8.230 nan 0.000 0.433 286 E N -0.462 119.688 120.200 -0.083 0.000 2.152 286 E HA -0.135 4.213 4.350 -0.003 0.000 0.192 286 E C 2.309 178.862 176.600 -0.078 0.000 0.983 286 E CA 0.870 57.219 56.400 -0.085 0.000 0.818 286 E CB 0.056 29.693 29.700 -0.106 0.000 0.758 286 E HN 0.280 nan 8.360 nan 0.000 0.467 287 V N 1.731 121.612 119.914 -0.055 0.000 2.287 287 V HA -0.286 3.832 4.120 -0.003 0.000 0.248 287 V C 2.026 178.087 176.094 -0.054 0.000 1.053 287 V CA 1.986 64.261 62.300 -0.041 0.000 1.027 287 V CB -0.501 31.328 31.823 0.010 0.000 0.646 287 V HN 0.234 nan 8.190 nan 0.000 0.447 288 E N -0.178 119.994 120.200 -0.046 0.000 2.058 288 E HA -0.295 4.053 4.350 -0.003 0.000 0.194 288 E C 2.292 178.856 176.600 -0.061 0.000 0.997 288 E CA 1.674 58.047 56.400 -0.046 0.000 0.801 288 E CB -0.155 29.515 29.700 -0.049 0.000 0.746 288 E HN 0.698 nan 8.360 nan 0.000 0.450 289 E N 0.230 120.388 120.200 -0.069 0.000 2.150 289 E HA -0.151 4.197 4.350 -0.003 0.000 0.193 289 E C 1.988 178.530 176.600 -0.096 0.000 0.985 289 E CA 0.780 57.137 56.400 -0.071 0.000 0.814 289 E CB -0.020 29.642 29.700 -0.064 0.000 0.752 289 E HN 0.244 nan 8.360 nan 0.000 0.466 290 A N 0.917 123.661 122.820 -0.127 0.000 1.902 290 A HA -0.165 4.153 4.320 -0.003 0.000 0.217 290 A C 2.141 179.588 177.584 -0.227 0.000 1.181 290 A CA 1.104 53.026 52.037 -0.192 0.000 0.623 290 A CB -0.637 18.210 19.000 -0.255 0.000 0.818 290 A HN 0.313 nan 8.150 nan 0.000 0.443 291 L N -1.187 119.921 121.223 -0.193 0.000 2.141 291 L HA -0.156 4.182 4.340 -0.003 0.000 0.209 291 L C 2.414 179.228 176.870 -0.094 0.000 1.094 291 L CA 0.484 55.235 54.840 -0.148 0.000 0.763 291 L CB -0.409 41.613 42.059 -0.061 0.000 0.908 291 L HN 0.295 nan 8.230 nan 0.000 0.437 292 L N -0.770 120.406 121.223 -0.079 0.000 2.046 292 L HA -0.252 4.086 4.340 -0.003 0.000 0.208 292 L C 2.660 179.493 176.870 -0.063 0.000 1.077 292 L CA 1.528 56.333 54.840 -0.058 0.000 0.747 292 L CB -0.940 41.090 42.059 -0.049 0.000 0.896 292 L HN 0.375 nan 8.230 nan 0.000 0.432 293 C N -0.587 118.664 119.300 -0.082 0.000 2.425 293 C HA -0.180 4.278 4.460 -0.003 0.000 0.277 293 C C 2.782 177.723 174.990 -0.082 0.000 1.280 293 C CA 0.665 59.636 59.018 -0.079 0.000 1.744 293 C CB -0.575 27.109 27.740 -0.092 0.000 1.989 293 C HN 0.513 nan 8.230 nan 0.000 0.491 294 M N 0.198 119.733 119.600 -0.107 0.000 2.562 294 M HA -0.026 4.452 4.480 -0.003 0.000 0.257 294 M C 0.943 177.211 176.300 -0.054 0.000 1.099 294 M CA 0.984 56.228 55.300 -0.094 0.000 1.099 294 M CB -0.400 32.115 32.600 -0.141 0.000 1.427 294 M HN 0.294 nan 8.290 nan 0.000 0.489 295 D N 0.394 120.765 120.400 -0.048 0.000 2.363 295 D HA 0.062 4.700 4.640 -0.003 0.000 0.220 295 D C 1.448 177.732 176.300 -0.026 0.000 0.994 295 D CA 0.895 54.877 54.000 -0.029 0.000 0.890 295 D CB 0.020 40.805 40.800 -0.026 0.000 0.906 295 D HN 0.497 nan 8.370 nan 0.000 0.530 296 G N -0.479 108.303 108.800 -0.031 0.000 2.143 296 G HA2 -0.141 3.818 3.960 -0.003 0.000 0.249 296 G HA3 -0.141 3.818 3.960 -0.003 0.000 0.249 296 G C 0.540 175.425 174.900 -0.025 0.000 0.981 296 G CA 0.492 45.576 45.100 -0.026 0.000 0.665 296 G HN 0.650 nan 8.290 nan 0.000 0.528 297 A N -1.191 121.611 122.820 -0.030 0.000 3.969 297 A HA 1.139 5.457 4.320 -0.003 0.000 0.168 297 A C 1.587 179.152 177.584 -0.031 0.000 0.806 297 A CA 1.026 53.047 52.037 -0.027 0.000 0.871 297 A CB 0.309 19.295 19.000 -0.023 0.000 1.498 297 A HN 2.385 nan 8.150 nan 0.000 0.779 298 G N -1.324 107.458 108.800 -0.030 0.000 2.760 298 G HA2 0.067 4.025 3.960 -0.003 0.000 0.246 298 G HA3 0.067 4.025 3.960 -0.003 0.000 0.246 298 G C -2.779 172.105 174.900 -0.026 0.000 1.359 298 G CA -0.250 44.831 45.100 -0.032 0.000 0.861 298 G HN 0.952 nan 8.290 nan 0.000 0.541 299 P HA 0.348 nan 4.420 nan 0.000 0.275 299 P C -2.052 175.237 177.300 -0.019 0.000 1.228 299 P CA -1.372 61.717 63.100 -0.020 0.000 0.786 299 P CB 0.895 32.584 31.700 -0.017 0.000 0.927 300 P HA -0.172 nan 4.420 nan 0.000 0.217 300 P C 1.130 178.424 177.300 -0.010 0.000 1.150 300 P CA 1.469 64.562 63.100 -0.012 0.000 0.832 300 P CB -0.091 31.605 31.700 -0.007 0.000 0.787 301 D N -0.078 120.318 120.400 -0.007 0.000 2.117 301 D HA -0.174 4.465 4.640 -0.003 0.000 0.197 301 D C 1.927 178.220 176.300 -0.011 0.000 0.987 301 D CA 1.024 55.022 54.000 -0.004 0.000 0.829 301 D CB -1.273 39.528 40.800 0.002 0.000 0.961 301 D HN 0.073 nan 8.370 nan 0.000 0.460 302 L N 0.624 121.836 121.223 -0.018 0.000 1.989 302 L HA -0.095 4.244 4.340 -0.003 0.000 0.211 302 L C 2.636 179.488 176.870 -0.030 0.000 1.071 302 L CA 1.855 56.678 54.840 -0.028 0.000 0.749 302 L CB -0.694 41.342 42.059 -0.037 0.000 0.890 302 L HN -0.011 nan 8.230 nan 0.000 0.431 303 R N -0.603 119.879 120.500 -0.029 0.000 2.081 303 R HA -0.206 4.132 4.340 -0.003 0.000 0.235 303 R C 2.238 178.525 176.300 -0.022 0.000 1.131 303 R CA 1.819 57.902 56.100 -0.029 0.000 0.960 303 R CB -0.688 29.596 30.300 -0.027 0.000 0.856 303 R HN 0.645 nan 8.270 nan 0.000 0.436 304 D N 0.188 120.578 120.400 -0.016 0.000 2.123 304 D HA -0.192 4.446 4.640 -0.003 0.000 0.196 304 D C 1.870 178.162 176.300 -0.012 0.000 0.992 304 D CA 1.049 55.042 54.000 -0.013 0.000 0.833 304 D CB 0.146 40.941 40.800 -0.008 0.000 0.954 304 D HN 0.229 nan 8.370 nan 0.000 0.455 305 L N 0.600 121.817 121.223 -0.010 0.000 2.093 305 L HA -0.110 4.229 4.340 -0.003 0.000 0.208 305 L C 2.560 179.425 176.870 -0.008 0.000 1.085 305 L CA 0.963 55.800 54.840 -0.006 0.000 0.755 305 L CB -0.527 41.530 42.059 -0.004 0.000 0.904 305 L HN -0.081 nan 8.230 nan 0.000 0.435 306 V N -0.498 119.405 119.914 -0.017 0.000 2.255 306 V HA -0.333 3.785 4.120 -0.003 0.000 0.247 306 V C 2.681 178.768 176.094 -0.013 0.000 1.051 306 V CA 2.277 64.565 62.300 -0.021 0.000 1.018 306 V CB -1.261 30.540 31.823 -0.036 0.000 0.641 306 V HN 0.734 nan 8.190 nan 0.000 0.445 307 T N -2.848 111.698 114.554 -0.014 0.000 2.777 307 T HA -0.198 4.150 4.350 -0.003 0.000 0.266 307 T C 1.813 176.510 174.700 -0.004 0.000 1.040 307 T CA 1.977 64.072 62.100 -0.009 0.000 1.141 307 T CB -0.780 68.080 68.868 -0.013 0.000 0.868 307 T HN 0.456 nan 8.240 nan 0.000 0.444 308 T N 2.584 117.134 114.554 -0.008 0.000 2.652 308 T HA 0.065 4.414 4.350 -0.003 0.000 0.267 308 T C 1.922 176.627 174.700 0.008 0.000 1.039 308 T CA 1.494 63.588 62.100 -0.010 0.000 1.153 308 T CB -0.543 68.315 68.868 -0.016 0.000 0.863 308 T HN 0.284 nan 8.240 nan 0.000 0.428 309 L N 0.487 121.719 121.223 0.016 0.000 2.156 309 L HA 0.082 4.421 4.340 -0.003 0.000 0.208 309 L C 2.997 179.893 176.870 0.043 0.000 1.095 309 L CA 1.059 55.919 54.840 0.034 0.000 0.770 309 L CB -0.849 41.229 42.059 0.032 0.000 0.914 309 L HN 0.369 nan 8.230 nan 0.000 0.439 310 G N -0.222 108.595 108.800 0.029 0.000 2.402 310 G HA2 -0.167 3.792 3.960 -0.003 0.000 0.216 310 G HA3 -0.167 3.792 3.960 -0.003 0.000 0.216 310 G C 1.585 176.518 174.900 0.054 0.000 1.162 310 G CA 0.697 45.816 45.100 0.031 0.000 0.777 310 G HN 0.460 nan 8.290 nan 0.000 0.539 311 G N 1.060 109.891 108.800 0.051 0.000 2.408 311 G HA2 0.090 4.049 3.960 -0.003 0.000 0.217 311 G HA3 0.090 4.049 3.960 -0.003 0.000 0.217 311 G C 2.065 177.044 174.900 0.132 0.000 1.150 311 G CA 1.446 46.590 45.100 0.074 0.000 0.776 311 G HN 0.614 nan 8.290 nan 0.000 0.542 312 A N 0.611 123.497 122.820 0.110 0.000 1.892 312 A HA -0.054 4.264 4.320 -0.003 0.000 0.218 312 A C 2.400 180.147 177.584 0.272 0.000 1.188 312 A CA 1.538 53.684 52.037 0.181 0.000 0.631 312 A CB -0.539 18.531 19.000 0.117 0.000 0.822 312 A HN 0.371 nan 8.150 nan 0.000 0.447 313 L N -0.892 120.434 121.223 0.172 0.000 2.027 313 L HA -0.136 4.202 4.340 -0.003 0.000 0.206 313 L C 2.607 179.565 176.870 0.146 0.000 1.074 313 L CA 1.323 56.247 54.840 0.141 0.000 0.745 313 L CB -0.332 41.781 42.059 0.091 0.000 0.898 313 L HN 0.433 nan 8.230 nan 0.000 0.433 314 L N -1.584 119.730 121.223 0.151 0.000 2.042 314 L HA -0.285 4.054 4.340 -0.003 0.000 0.210 314 L C 2.350 179.336 176.870 0.193 0.000 1.076 314 L CA 1.714 56.655 54.840 0.168 0.000 0.749 314 L CB -0.640 41.501 42.059 0.138 0.000 0.893 314 L HN 0.469 nan 8.230 nan 0.000 0.432 315 W N 0.287 121.614 121.300 0.043 0.000 2.355 315 W HA -0.221 4.437 4.660 -0.002 0.000 0.309 315 W C 2.331 178.862 176.519 0.019 0.000 1.206 315 W CA 1.183 58.543 57.345 0.026 0.000 1.284 315 W CB -0.198 29.271 29.460 0.016 0.000 1.145 315 W HN -0.039 nan 8.180 nan 0.000 0.502 316 L N 1.220 122.407 121.223 -0.061 0.000 2.083 316 L HA -0.189 4.150 4.340 -0.003 0.000 0.209 316 L C 2.346 179.055 176.870 -0.269 0.000 1.083 316 L CA 2.468 57.129 54.840 -0.299 0.000 0.752 316 L CB -1.198 40.877 42.059 0.026 0.000 0.899 316 L HN 0.277 nan 8.230 nan 0.000 0.433 317 S N -1.506 114.124 115.700 -0.117 0.000 2.603 317 S HA 0.111 4.579 4.470 -0.003 0.000 0.220 317 S C 1.398 175.852 174.600 -0.243 0.000 0.967 317 S CA 0.435 58.578 58.200 -0.096 0.000 0.920 317 S CB 0.250 63.505 63.200 0.092 0.000 0.773 317 S HN 0.607 nan 8.310 nan 0.000 0.529 318 G N 1.139 109.772 108.800 -0.279 0.000 2.136 318 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.242 318 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.242 318 G C 0.459 175.187 174.900 -0.287 0.000 0.989 318 G CA 0.444 45.362 45.100 -0.304 0.000 0.682 318 G HN 0.616 nan 8.290 nan 0.000 0.522 319 H N -0.339 118.707 119.070 -0.041 0.000 2.562 319 H HA 0.520 5.074 4.556 -0.003 0.000 0.267 319 H C 1.498 176.839 175.328 0.021 0.000 0.959 319 H CA 1.295 57.337 56.048 -0.009 0.000 1.204 319 H CB 0.727 30.483 29.762 -0.009 0.000 1.430 319 H HN 0.816 nan 8.280 nan 0.000 0.545 320 A N -0.417 122.489 122.820 0.142 0.000 2.435 320 A HA 0.551 4.869 4.320 -0.003 0.000 0.304 320 A C 1.427 179.123 177.584 0.186 0.000 1.064 320 A CA -0.091 52.038 52.037 0.153 0.000 0.727 320 A CB 1.230 20.335 19.000 0.175 0.000 1.284 320 A HN 0.216 nan 8.150 nan 0.000 0.415 321 G N 0.260 109.159 108.800 0.166 0.000 2.408 321 G HA2 0.269 4.228 3.960 -0.003 0.000 0.217 321 G HA3 0.269 4.228 3.960 -0.003 0.000 0.217 321 G C 0.759 175.857 174.900 0.330 0.000 1.150 321 G CA 1.737 46.951 45.100 0.190 0.000 0.776 321 G HN 1.407 nan 8.290 nan 0.000 0.542 322 T N -4.224 110.478 114.554 0.247 0.000 2.887 322 T HA 0.436 4.785 4.350 -0.003 0.000 0.292 322 T C 0.795 175.512 174.700 0.029 0.000 1.087 322 T CA -0.161 61.989 62.100 0.082 0.000 1.009 322 T CB 2.098 70.946 68.868 -0.033 0.000 1.203 322 T HN 0.056 nan 8.240 nan 0.000 0.518 323 Q N 0.292 119.948 119.800 -0.240 0.000 2.124 323 Q HA -0.089 4.250 4.340 -0.003 0.000 0.202 323 Q C 2.242 178.211 176.000 -0.052 0.000 0.977 323 Q CA 1.828 57.556 55.803 -0.125 0.000 0.850 323 Q CB -0.686 27.888 28.738 -0.273 0.000 0.901 323 Q HN 0.865 nan 8.270 nan 0.000 0.429 324 A N 0.463 123.238 122.820 -0.075 0.000 1.930 324 A HA -0.218 4.100 4.320 -0.003 0.000 0.217 324 A C 1.924 179.503 177.584 -0.008 0.000 1.175 324 A CA 1.510 53.521 52.037 -0.043 0.000 0.627 324 A CB -0.443 18.526 19.000 -0.052 0.000 0.815 324 A HN 0.541 nan 8.150 nan 0.000 0.443 325 Q N -0.777 119.031 119.800 0.012 0.000 2.079 325 Q HA -0.073 4.265 4.340 -0.003 0.000 0.200 325 Q C 2.239 178.266 176.000 0.045 0.000 0.974 325 Q CA 1.155 56.978 55.803 0.033 0.000 0.840 325 Q CB -0.426 28.345 28.738 0.054 0.000 0.898 325 Q HN 0.678 nan 8.270 nan 0.000 0.430 326 G N 0.763 109.604 108.800 0.067 0.000 2.446 326 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.217 326 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.217 326 G C 1.492 176.415 174.900 0.038 0.000 1.168 326 G CA 0.899 46.041 45.100 0.071 0.000 0.771 326 G HN 0.426 nan 8.290 nan 0.000 0.551 327 A N 1.111 123.945 122.820 0.023 0.000 1.940 327 A HA 0.240 4.558 4.320 -0.003 0.000 0.219 327 A C 2.793 180.378 177.584 0.001 0.000 1.176 327 A CA 2.287 54.328 52.037 0.006 0.000 0.631 327 A CB -0.717 18.279 19.000 -0.008 0.000 0.814 327 A HN 0.816 nan 8.150 nan 0.000 0.446 328 A N -0.308 122.514 122.820 0.003 0.000 1.969 328 A HA -0.095 4.223 4.320 -0.003 0.000 0.218 328 A C 2.154 179.739 177.584 0.002 0.000 1.169 328 A CA 1.937 53.974 52.037 0.001 0.000 0.635 328 A CB -0.396 18.605 19.000 0.002 0.000 0.810 328 A HN 0.507 nan 8.150 nan 0.000 0.445 329 R N -0.144 120.361 120.500 0.009 0.000 2.066 329 R HA -0.071 4.267 4.340 -0.003 0.000 0.232 329 R C 1.798 178.096 176.300 -0.004 0.000 1.131 329 R CA 2.115 58.218 56.100 0.006 0.000 0.955 329 R CB -0.942 29.367 30.300 0.015 0.000 0.851 329 R HN 0.220 nan 8.270 nan 0.000 0.432 330 V N 1.039 120.952 119.914 -0.003 0.000 2.295 330 V HA -0.194 3.924 4.120 -0.003 0.000 0.246 330 V C 2.404 178.489 176.094 -0.015 0.000 1.049 330 V CA 1.916 64.210 62.300 -0.011 0.000 1.024 330 V CB -1.012 30.806 31.823 -0.007 0.000 0.648 330 V HN 0.570 nan 8.190 nan 0.000 0.447 331 A N 0.182 122.994 122.820 -0.012 0.000 1.908 331 A HA -0.203 4.115 4.320 -0.003 0.000 0.218 331 A C 2.445 180.020 177.584 -0.015 0.000 1.181 331 A CA 2.342 54.370 52.037 -0.015 0.000 0.627 331 A CB -0.886 18.107 19.000 -0.012 0.000 0.818 331 A HN 0.602 nan 8.150 nan 0.000 0.445 332 A N -0.290 122.523 122.820 -0.011 0.000 1.940 332 A HA 0.119 4.437 4.320 -0.003 0.000 0.219 332 A C 2.469 180.045 177.584 -0.013 0.000 1.176 332 A CA 2.175 54.206 52.037 -0.011 0.000 0.631 332 A CB -0.942 18.054 19.000 -0.007 0.000 0.814 332 A HN 1.135 nan 8.150 nan 0.000 0.446 333 A N -0.425 122.385 122.820 -0.016 0.000 1.969 333 A HA 0.062 4.381 4.320 -0.003 0.000 0.218 333 A C 2.079 179.651 177.584 -0.021 0.000 1.169 333 A CA 1.287 53.312 52.037 -0.019 0.000 0.635 333 A CB -0.481 18.505 19.000 -0.024 0.000 0.810 333 A HN 0.483 nan 8.150 nan 0.000 0.445 334 L N -0.737 120.471 121.223 -0.025 0.000 2.156 334 L HA -0.104 4.235 4.340 -0.003 0.000 0.208 334 L C 1.502 178.358 176.870 -0.024 0.000 1.095 334 L CA 1.069 55.890 54.840 -0.031 0.000 0.770 334 L CB -0.483 41.555 42.059 -0.035 0.000 0.914 334 L HN 0.260 nan 8.230 nan 0.000 0.439 335 D N -0.142 120.247 120.400 -0.018 0.000 2.271 335 D HA -0.103 4.535 4.640 -0.003 0.000 0.206 335 D C 1.206 177.500 176.300 -0.011 0.000 0.967 335 D CA 0.961 54.952 54.000 -0.015 0.000 0.867 335 D CB 0.036 40.829 40.800 -0.012 0.000 0.960 335 D HN 0.485 nan 8.370 nan 0.000 0.509 336 D N -1.264 119.130 120.400 -0.010 0.000 2.369 336 D HA 0.175 4.813 4.640 -0.003 0.000 0.211 336 D C 1.476 177.773 176.300 -0.004 0.000 1.077 336 D CA 0.431 54.427 54.000 -0.007 0.000 0.842 336 D CB 0.211 41.007 40.800 -0.006 0.000 0.947 336 D HN 0.130 nan 8.370 nan 0.000 0.509 337 G N 0.372 109.170 108.800 -0.005 0.000 2.176 337 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.253 337 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.253 337 G C 1.228 176.131 174.900 0.006 0.000 0.979 337 G CA 0.824 45.924 45.100 0.001 0.000 0.641 337 G HN 0.652 nan 8.290 nan 0.000 0.530 338 S N -0.049 115.651 115.700 0.000 0.000 2.395 338 S HA 0.418 4.886 4.470 -0.003 0.000 0.225 338 S C 2.612 177.217 174.600 0.007 0.000 1.027 338 S CA 1.444 59.645 58.200 0.001 0.000 0.965 338 S CB -0.303 62.892 63.200 -0.008 0.000 0.812 338 S HN 1.673 nan 8.310 nan 0.000 0.482 339 A N 2.042 124.862 122.820 0.001 0.000 1.902 339 A HA 0.062 4.380 4.320 -0.003 0.000 0.217 339 A C 2.234 179.845 177.584 0.044 0.000 1.181 339 A CA 1.613 53.654 52.037 0.006 0.000 0.623 339 A CB -0.971 18.014 19.000 -0.025 0.000 0.818 339 A HN 0.523 nan 8.150 nan 0.000 0.443 340 L N 0.107 121.351 121.223 0.035 0.000 2.046 340 L HA -0.029 4.309 4.340 -0.003 0.000 0.208 340 L C 2.404 179.349 176.870 0.125 0.000 1.077 340 L CA 2.245 57.134 54.840 0.082 0.000 0.747 340 L CB -0.972 41.113 42.059 0.043 0.000 0.896 340 L HN 0.312 nan 8.230 nan 0.000 0.432 341 G N -0.836 108.007 108.800 0.071 0.000 2.418 341 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.217 341 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.217 341 G C 1.643 176.579 174.900 0.060 0.000 1.158 341 G CA 0.503 45.636 45.100 0.054 0.000 0.771 341 G HN 0.269 nan 8.290 nan 0.000 0.545 342 R N -0.435 120.105 120.500 0.066 0.000 2.092 342 R HA 0.022 4.360 4.340 -0.003 0.000 0.231 342 R C 2.215 178.580 176.300 0.108 0.000 1.119 342 R CA 0.645 56.780 56.100 0.058 0.000 0.970 342 R CB -1.039 29.284 30.300 0.038 0.000 0.864 342 R HN 0.475 nan 8.270 nan 0.000 0.440 343 F N 2.205 122.152 119.950 -0.004 0.000 2.146 343 F HA -0.122 4.404 4.527 -0.002 0.000 0.298 343 F C 2.412 178.230 175.800 0.030 0.000 1.096 343 F CA 1.438 59.445 58.000 0.011 0.000 1.275 343 F CB -0.207 38.792 39.000 -0.002 0.000 1.008 343 F HN 0.053 nan 8.300 nan 0.000 0.480 344 E N -0.025 120.192 120.200 0.029 0.000 2.085 344 E HA -0.231 4.118 4.350 -0.003 0.000 0.194 344 E C 2.341 178.897 176.600 -0.074 0.000 0.994 344 E CA 1.031 57.399 56.400 -0.053 0.000 0.801 344 E CB -0.014 29.701 29.700 0.025 0.000 0.743 344 E HN 0.291 nan 8.360 nan 0.000 0.453 345 R N 0.158 120.636 120.500 -0.037 0.000 2.081 345 R HA -0.135 4.204 4.340 -0.003 0.000 0.235 345 R C 2.380 178.646 176.300 -0.058 0.000 1.131 345 R CA 1.335 57.413 56.100 -0.037 0.000 0.960 345 R CB -0.715 29.573 30.300 -0.019 0.000 0.856 345 R HN 0.388 nan 8.270 nan 0.000 0.436 346 M N 0.737 120.296 119.600 -0.069 0.000 2.117 346 M HA -0.129 4.350 4.480 -0.003 0.000 0.262 346 M C 2.054 178.310 176.300 -0.073 0.000 1.065 346 M CA 1.538 56.804 55.300 -0.057 0.000 1.114 346 M CB -0.018 32.572 32.600 -0.017 0.000 1.361 346 M HN 0.055 nan 8.290 nan 0.000 0.408 347 L N -0.054 121.081 121.223 -0.147 0.000 2.017 347 L HA -0.165 4.174 4.340 -0.003 0.000 0.208 347 L C 2.767 179.591 176.870 -0.077 0.000 1.073 347 L CA 1.373 56.176 54.840 -0.061 0.000 0.745 347 L CB -1.141 40.803 42.059 -0.191 0.000 0.894 347 L HN 0.382 nan 8.230 nan 0.000 0.432 348 A N -0.001 122.769 122.820 -0.084 0.000 1.930 348 A HA -0.089 4.230 4.320 -0.003 0.000 0.217 348 A C 2.483 180.014 177.584 -0.088 0.000 1.175 348 A CA 1.545 53.540 52.037 -0.070 0.000 0.627 348 A CB -0.601 18.369 19.000 -0.050 0.000 0.815 348 A HN 0.401 nan 8.150 nan 0.000 0.443 349 A N -1.076 121.689 122.820 -0.093 0.000 2.067 349 A HA -0.098 4.220 4.320 -0.003 0.000 0.219 349 A C 1.866 179.361 177.584 -0.148 0.000 1.158 349 A CA 1.317 53.300 52.037 -0.091 0.000 0.661 349 A CB -0.289 18.673 19.000 -0.063 0.000 0.801 349 A HN 0.624 nan 8.150 nan 0.000 0.452 350 Q N -1.775 117.873 119.800 -0.254 0.000 2.204 350 Q HA 0.325 4.663 4.340 -0.003 0.000 0.209 350 Q C 0.899 176.632 176.000 -0.446 0.000 0.861 350 Q CA 0.319 55.854 55.803 -0.447 0.000 0.971 350 Q CB 0.504 28.732 28.738 -0.850 0.000 1.095 350 Q HN 0.784 nan 8.270 nan 0.000 0.486 351 G N -0.113 108.539 108.800 -0.248 0.000 2.284 351 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.201 351 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.201 351 G C 0.205 175.050 174.900 -0.091 0.000 0.998 351 G CA -0.334 44.671 45.100 -0.158 0.000 0.651 351 G HN 0.185 nan 8.290 nan 0.000 0.489 352 V N 2.112 121.980 119.914 -0.076 0.000 2.540 352 V HA 0.305 4.424 4.120 -0.003 0.000 0.297 352 V C 0.903 176.984 176.094 -0.023 0.000 1.024 352 V CA 0.443 62.737 62.300 -0.011 0.000 1.105 352 V CB 1.148 32.991 31.823 0.034 0.000 0.938 352 V HN 0.499 nan 8.190 nan 0.000 0.482 353 D N 6.878 127.272 120.400 -0.011 0.000 2.520 353 D HA 0.026 4.664 4.640 -0.003 0.000 0.243 353 D C -1.391 174.902 176.300 -0.012 0.000 1.160 353 D CA -0.751 53.242 54.000 -0.012 0.000 0.877 353 D CB 1.189 41.986 40.800 -0.005 0.000 1.150 353 D HN 0.284 nan 8.370 nan 0.000 0.494 354 P HA -0.139 nan 4.420 nan 0.000 0.216 354 P C 1.317 178.613 177.300 -0.007 0.000 1.154 354 P CA 1.539 64.631 63.100 -0.014 0.000 0.865 354 P CB 0.034 31.726 31.700 -0.013 0.000 0.789 355 G N -0.469 108.329 108.800 -0.004 0.000 2.408 355 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.217 355 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.217 355 G C 1.447 176.348 174.900 0.003 0.000 1.150 355 G CA 0.554 45.654 45.100 -0.000 0.000 0.776 355 G HN 0.247 nan 8.290 nan 0.000 0.542 356 L N 1.297 122.522 121.223 0.003 0.000 2.027 356 L HA 0.265 4.603 4.340 -0.003 0.000 0.206 356 L C 3.029 179.905 176.870 0.010 0.000 1.074 356 L CA 2.114 56.959 54.840 0.008 0.000 0.745 356 L CB -0.809 41.256 42.059 0.010 0.000 0.898 356 L HN 0.207 nan 8.230 nan 0.000 0.433 357 A N -0.119 122.702 122.820 0.002 0.000 1.883 357 A HA -0.295 4.023 4.320 -0.003 0.000 0.217 357 A C 2.487 180.075 177.584 0.008 0.000 1.186 357 A CA 2.088 54.121 52.037 -0.007 0.000 0.624 357 A CB -0.703 18.279 19.000 -0.030 0.000 0.822 357 A HN 0.507 nan 8.150 nan 0.000 0.444 358 R N -0.131 120.373 120.500 0.007 0.000 2.081 358 R HA -0.030 4.309 4.340 -0.003 0.000 0.235 358 R C 2.189 178.501 176.300 0.020 0.000 1.131 358 R CA 1.886 57.995 56.100 0.014 0.000 0.960 358 R CB -0.712 29.593 30.300 0.008 0.000 0.856 358 R HN 0.407 nan 8.270 nan 0.000 0.436 359 A N 0.222 123.052 122.820 0.017 0.000 1.933 359 A HA -0.107 4.212 4.320 -0.003 0.000 0.218 359 A C 2.053 179.652 177.584 0.025 0.000 1.175 359 A CA 1.367 53.415 52.037 0.017 0.000 0.628 359 A CB -0.598 18.410 19.000 0.013 0.000 0.814 359 A HN 0.370 nan 8.150 nan 0.000 0.444 360 L N -0.635 120.607 121.223 0.032 0.000 2.044 360 L HA -0.125 4.213 4.340 -0.003 0.000 0.205 360 L C 2.495 179.404 176.870 0.065 0.000 1.075 360 L CA 2.113 56.981 54.840 0.047 0.000 0.747 360 L CB -0.566 41.527 42.059 0.057 0.000 0.903 360 L HN 0.461 nan 8.230 nan 0.000 0.435 361 C N -1.080 118.266 119.300 0.077 0.000 2.457 361 C HA -0.041 4.418 4.460 -0.003 0.000 0.278 361 C C 2.950 177.974 174.990 0.057 0.000 1.309 361 C CA 0.907 59.983 59.018 0.096 0.000 1.735 361 C CB -1.089 26.723 27.740 0.120 0.000 1.992 361 C HN 0.750 nan 8.230 nan 0.000 0.493 362 S N 0.403 116.127 115.700 0.040 0.000 2.558 362 S HA 0.196 4.664 4.470 -0.003 0.000 0.217 362 S C 0.957 175.569 174.600 0.020 0.000 0.975 362 S CA 0.463 58.679 58.200 0.026 0.000 0.912 362 S CB -0.340 62.873 63.200 0.021 0.000 0.776 362 S HN 0.555 nan 8.310 nan 0.000 0.526 363 G N 2.000 110.814 108.800 0.022 0.000 2.569 363 G HA2 0.433 4.391 3.960 -0.003 0.000 0.249 363 G HA3 0.433 4.391 3.960 -0.003 0.000 0.249 363 G C 0.066 174.973 174.900 0.012 0.000 1.216 363 G CA -0.085 45.025 45.100 0.016 0.000 0.845 363 G HN 0.556 nan 8.290 nan 0.000 0.568 364 S N 1.632 117.337 115.700 0.007 0.000 2.589 364 S HA 0.218 4.686 4.470 -0.003 0.000 0.265 364 S C -1.411 173.190 174.600 0.002 0.000 1.342 364 S CA -0.725 57.477 58.200 0.003 0.000 1.005 364 S CB 1.490 64.691 63.200 0.002 0.000 0.909 364 S HN 0.274 nan 8.310 nan 0.000 0.555 365 P HA -0.116 nan 4.420 nan 0.000 0.216 365 P C 1.548 178.846 177.300 -0.003 0.000 1.153 365 P CA 2.101 65.197 63.100 -0.005 0.000 0.858 365 P CB -0.276 31.419 31.700 -0.008 0.000 0.789 366 A N -0.383 122.436 122.820 -0.001 0.000 1.930 366 A HA -0.209 4.110 4.320 -0.003 0.000 0.217 366 A C 2.115 179.700 177.584 0.002 0.000 1.175 366 A CA 1.549 53.586 52.037 0.001 0.000 0.627 366 A CB -1.041 17.960 19.000 0.002 0.000 0.815 366 A HN 0.197 nan 8.150 nan 0.000 0.443 367 E N -0.440 119.762 120.200 0.003 0.000 2.072 367 E HA -0.147 4.201 4.350 -0.003 0.000 0.190 367 E C 2.292 178.896 176.600 0.006 0.000 0.982 367 E CA 0.915 57.319 56.400 0.005 0.000 0.803 367 E CB -0.144 29.561 29.700 0.007 0.000 0.755 367 E HN 0.536 nan 8.360 nan 0.000 0.453 368 R N 0.705 121.208 120.500 0.007 0.000 2.091 368 R HA -0.090 4.249 4.340 -0.003 0.000 0.238 368 R C 2.392 178.691 176.300 -0.000 0.000 1.136 368 R CA 1.256 57.360 56.100 0.008 0.000 0.959 368 R CB -0.205 30.099 30.300 0.008 0.000 0.856 368 R HN 0.066 nan 8.270 nan 0.000 0.437 369 R N 0.300 120.796 120.500 -0.007 0.000 2.105 369 R HA -0.147 4.192 4.340 -0.003 0.000 0.239 369 R C 2.322 178.617 176.300 -0.008 0.000 1.135 369 R CA 1.163 57.254 56.100 -0.015 0.000 0.967 369 R CB -0.166 30.126 30.300 -0.013 0.000 0.861 369 R HN 0.306 nan 8.270 nan 0.000 0.442 370 Q N 0.416 120.216 119.800 -0.001 0.000 2.167 370 Q HA -0.075 4.263 4.340 -0.003 0.000 0.202 370 Q C 2.123 178.125 176.000 0.003 0.000 0.970 370 Q CA 1.173 56.977 55.803 0.002 0.000 0.855 370 Q CB 0.094 28.835 28.738 0.004 0.000 0.911 370 Q HN 0.399 nan 8.270 nan 0.000 0.438 371 L N -0.200 121.026 121.223 0.005 0.000 2.375 371 L HA 0.077 4.415 4.340 -0.003 0.000 0.215 371 L C 0.853 177.728 176.870 0.008 0.000 1.108 371 L CA 0.204 55.049 54.840 0.008 0.000 0.830 371 L CB 0.114 42.181 42.059 0.013 0.000 0.959 371 L HN 0.015 nan 8.230 nan 0.000 0.457 372 L N -0.015 121.210 121.223 0.003 0.000 2.334 372 L HA 0.426 4.764 4.340 -0.003 0.000 0.270 372 L C -2.138 174.728 176.870 -0.007 0.000 1.018 372 L CA -2.223 52.617 54.840 -0.000 0.000 0.811 372 L CB 1.013 43.071 42.059 -0.003 0.000 1.271 372 L HN -0.245 nan 8.230 nan 0.000 0.443 373 P HA 0.065 nan 4.420 nan 0.000 0.264 373 P C -1.141 176.148 177.300 -0.018 0.000 1.183 373 P CA 0.205 63.301 63.100 -0.008 0.000 0.763 373 P CB 0.403 32.099 31.700 -0.007 0.000 0.807 374 R N 1.623 122.118 120.500 -0.009 0.000 2.599 374 R HA 0.629 4.968 4.340 -0.003 0.000 0.295 374 R C -0.085 176.227 176.300 0.020 0.000 0.963 374 R CA -0.958 55.139 56.100 -0.005 0.000 0.883 374 R CB 2.043 32.348 30.300 0.009 0.000 1.171 374 R HN 0.487 nan 8.270 nan 0.000 0.450 375 A N 2.179 125.026 122.820 0.045 0.000 2.483 375 A HA 0.071 4.389 4.320 -0.003 0.000 0.238 375 A C 0.910 178.530 177.584 0.060 0.000 1.070 375 A CA -0.159 51.917 52.037 0.065 0.000 0.770 375 A CB 0.333 19.401 19.000 0.113 0.000 1.008 375 A HN 0.911 nan 8.150 nan 0.000 0.497 376 R N 0.549 121.070 120.500 0.036 0.000 2.148 376 R HA -0.003 4.335 4.340 -0.003 0.000 0.227 376 R C -0.138 176.173 176.300 0.019 0.000 1.103 376 R CA 1.002 57.116 56.100 0.023 0.000 0.983 376 R CB -0.068 30.240 30.300 0.012 0.000 0.874 376 R HN 0.725 nan 8.270 nan 0.000 0.451 377 E N 0.815 121.025 120.200 0.017 0.000 2.343 377 E HA 0.321 4.669 4.350 -0.003 0.000 0.270 377 E C -1.004 175.572 176.600 -0.041 0.000 0.895 377 E CA -0.616 55.777 56.400 -0.011 0.000 0.767 377 E CB 2.291 31.980 29.700 -0.018 0.000 1.248 377 E HN 0.039 nan 8.360 nan 0.000 0.440 378 Q N 0.889 120.635 119.800 -0.089 0.000 2.359 378 Q HA 0.380 4.718 4.340 -0.003 0.000 0.274 378 Q C -1.063 174.840 176.000 -0.161 0.000 1.074 378 Q CA -0.692 54.993 55.803 -0.195 0.000 0.810 378 Q CB 2.964 31.559 28.738 -0.238 0.000 1.342 378 Q HN 0.533 nan 8.270 nan 0.000 0.427 379 E N 0.933 121.017 120.200 -0.193 0.000 2.356 379 E HA 0.491 4.839 4.350 -0.003 0.000 0.275 379 E C -1.282 175.201 176.600 -0.194 0.000 0.904 379 E CA -0.842 55.465 56.400 -0.155 0.000 0.757 379 E CB 2.148 31.781 29.700 -0.111 0.000 1.232 379 E HN 0.378 nan 8.360 nan 0.000 0.442 380 E N 1.915 122.015 120.200 -0.167 0.000 2.179 380 E HA 0.347 4.695 4.350 -0.003 0.000 0.275 380 E C -0.987 175.498 176.600 -0.192 0.000 0.945 380 E CA -1.003 55.277 56.400 -0.201 0.000 0.792 380 E CB 1.709 31.319 29.700 -0.151 0.000 1.125 380 E HN 0.306 nan 8.360 nan 0.000 0.397 381 L N 3.275 124.310 121.223 -0.314 0.000 2.307 381 L HA 0.359 4.697 4.340 -0.003 0.000 0.282 381 L C -0.490 176.303 176.870 -0.128 0.000 1.051 381 L CA -0.090 54.606 54.840 -0.240 0.000 0.804 381 L CB 0.686 42.532 42.059 -0.354 0.000 1.197 381 L HN 0.341 nan 8.230 nan 0.000 0.431 382 L N 2.440 123.730 121.223 0.112 0.000 2.344 382 L HA 0.714 5.052 4.340 -0.003 0.000 0.272 382 L C 0.445 177.525 176.870 0.350 0.000 1.035 382 L CA -1.081 53.884 54.840 0.208 0.000 0.807 382 L CB 1.342 43.460 42.059 0.097 0.000 1.237 382 L HN 0.687 nan 8.230 nan 0.000 0.442 383 A N 3.003 125.996 122.820 0.288 0.000 2.524 383 A HA 0.260 4.579 4.320 -0.003 0.000 0.250 383 A C -1.443 176.177 177.584 0.060 0.000 1.078 383 A CA -0.898 51.210 52.037 0.118 0.000 0.761 383 A CB -0.259 18.769 19.000 0.047 0.000 1.012 383 A HN 0.638 nan 8.150 nan 0.000 0.500 384 P HA 0.086 nan 4.420 nan 0.000 0.225 384 P C 0.366 177.665 177.300 -0.002 0.000 1.156 384 P CA 1.773 64.882 63.100 0.014 0.000 0.787 384 P CB 0.236 31.936 31.700 0.000 0.000 0.802 385 A N -1.031 121.778 122.820 -0.019 0.000 2.557 385 A HA 0.485 4.803 4.320 -0.003 0.000 0.292 385 A C -1.388 176.182 177.584 -0.023 0.000 1.139 385 A CA -0.606 51.420 52.037 -0.018 0.000 0.665 385 A CB 0.161 19.147 19.000 -0.023 0.000 1.285 385 A HN -0.211 nan 8.150 nan 0.000 0.433 386 D N -0.174 120.215 120.400 -0.018 0.000 2.423 386 D HA 0.501 5.139 4.640 -0.003 0.000 0.238 386 D C 0.431 176.714 176.300 -0.028 0.000 1.142 386 D CA 2.098 56.086 54.000 -0.019 0.000 0.884 386 D CB 1.146 41.938 40.800 -0.012 0.000 1.199 386 D HN 1.191 nan 8.370 nan 0.000 0.438 387 G N 0.092 108.873 108.800 -0.032 0.000 2.340 387 G HA2 0.298 4.257 3.960 -0.003 0.000 0.298 387 G HA3 0.298 4.257 3.960 -0.003 0.000 0.298 387 G C -1.076 173.800 174.900 -0.040 0.000 1.498 387 G CA -0.837 44.243 45.100 -0.034 0.000 0.847 387 G HN 0.313 nan 8.290 nan 0.000 0.594 388 T N 0.889 115.429 114.554 -0.023 0.000 2.817 388 T HA 0.427 4.775 4.350 -0.003 0.000 0.293 388 T C 0.721 175.392 174.700 -0.048 0.000 0.964 388 T CA -0.284 61.795 62.100 -0.036 0.000 1.085 388 T CB 1.491 70.380 68.868 0.036 0.000 0.921 388 T HN 0.644 nan 8.240 nan 0.000 0.502 389 V N 4.881 124.730 119.914 -0.109 0.000 2.434 389 V HA 0.013 4.131 4.120 -0.003 0.000 0.281 389 V C 1.513 177.589 176.094 -0.030 0.000 1.005 389 V CA 0.265 62.500 62.300 -0.109 0.000 1.089 389 V CB 0.032 31.776 31.823 -0.132 0.000 0.978 389 V HN 0.861 nan 8.190 nan 0.000 0.474 390 E N 3.180 123.407 120.200 0.045 0.000 2.170 390 E HA 0.126 4.474 4.350 -0.003 0.000 0.191 390 E C 0.128 176.799 176.600 0.119 0.000 0.981 390 E CA 0.532 57.033 56.400 0.169 0.000 0.830 390 E CB 0.555 30.308 29.700 0.088 0.000 0.775 390 E HN 0.544 nan 8.360 nan 0.000 0.470 391 L N -1.135 120.099 121.223 0.017 0.000 2.700 391 L HA 0.238 4.576 4.340 -0.003 0.000 0.255 391 L C -1.883 174.957 176.870 -0.049 0.000 0.933 391 L CA -0.536 54.304 54.840 0.000 0.000 0.920 391 L CB 1.934 43.994 42.059 0.001 0.000 1.472 391 L HN -0.317 nan 8.230 nan 0.000 0.426 392 V N 4.349 124.253 119.914 -0.016 0.000 2.326 392 V HA 0.538 4.656 4.120 -0.003 0.000 0.281 392 V C 0.213 176.324 176.094 0.029 0.000 1.015 392 V CA -0.519 61.783 62.300 0.004 0.000 0.823 392 V CB 1.235 33.113 31.823 0.093 0.000 1.009 392 V HN 0.708 nan 8.190 nan 0.000 0.436 393 R N 2.935 123.444 120.500 0.016 0.000 2.421 393 R HA 0.306 4.644 4.340 -0.003 0.000 0.305 393 R C 1.379 177.700 176.300 0.034 0.000 1.039 393 R CA 0.468 56.577 56.100 0.016 0.000 1.003 393 R CB 0.852 31.153 30.300 0.002 0.000 0.959 393 R HN 0.865 nan 8.270 nan 0.000 0.427 394 A N 4.166 127.000 122.820 0.023 0.000 1.929 394 A HA -0.150 4.168 4.320 -0.003 0.000 0.216 394 A C 1.831 179.421 177.584 0.010 0.000 1.176 394 A CA 0.864 52.918 52.037 0.028 0.000 0.628 394 A CB -0.284 18.732 19.000 0.026 0.000 0.816 394 A HN 0.692 nan 8.150 nan 0.000 0.444 395 L N 0.515 121.723 121.223 -0.025 0.000 1.994 395 L HA -0.037 4.301 4.340 -0.003 0.000 0.208 395 L C -0.861 175.940 176.870 -0.115 0.000 1.071 395 L CA 2.364 57.137 54.840 -0.112 0.000 0.745 395 L CB -1.127 40.849 42.059 -0.138 0.000 0.892 395 L HN 0.165 nan 8.230 nan 0.000 0.431 396 P HA -0.156 nan 4.420 nan 0.000 0.218 396 P C 2.166 179.469 177.300 0.005 0.000 1.149 396 P CA 1.348 64.434 63.100 -0.024 0.000 0.817 396 P CB -0.027 31.681 31.700 0.014 0.000 0.785 397 L N -0.853 120.386 121.223 0.028 0.000 2.027 397 L HA -0.151 4.187 4.340 -0.003 0.000 0.206 397 L C 2.350 179.241 176.870 0.034 0.000 1.074 397 L CA 1.648 56.514 54.840 0.043 0.000 0.745 397 L CB -0.878 41.218 42.059 0.062 0.000 0.898 397 L HN -0.063 nan 8.230 nan 0.000 0.433 398 A N -0.051 122.784 122.820 0.025 0.000 1.883 398 A HA -0.236 4.082 4.320 -0.003 0.000 0.217 398 A C 2.150 179.774 177.584 0.067 0.000 1.186 398 A CA 1.837 53.911 52.037 0.062 0.000 0.624 398 A CB -0.885 18.177 19.000 0.103 0.000 0.822 398 A HN 0.464 nan 8.150 nan 0.000 0.444 399 L N -0.705 120.501 121.223 -0.029 0.000 2.046 399 L HA -0.162 4.177 4.340 -0.003 0.000 0.208 399 L C 2.535 179.439 176.870 0.056 0.000 1.077 399 L CA 1.141 55.963 54.840 -0.030 0.000 0.747 399 L CB -0.631 41.364 42.059 -0.105 0.000 0.896 399 L HN 0.256 nan 8.230 nan 0.000 0.432 400 V N 0.065 120.006 119.914 0.045 0.000 2.307 400 V HA -0.258 3.861 4.120 -0.003 0.000 0.245 400 V C 2.400 178.540 176.094 0.078 0.000 1.045 400 V CA 1.522 63.855 62.300 0.055 0.000 1.024 400 V CB -0.340 31.504 31.823 0.034 0.000 0.651 400 V HN 0.332 nan 8.190 nan 0.000 0.449 401 L N -0.502 120.771 121.223 0.082 0.000 2.083 401 L HA -0.232 4.107 4.340 -0.003 0.000 0.209 401 L C 2.559 179.501 176.870 0.120 0.000 1.083 401 L CA 2.152 57.043 54.840 0.086 0.000 0.752 401 L CB -0.889 41.213 42.059 0.072 0.000 0.899 401 L HN 0.476 nan 8.230 nan 0.000 0.433 402 H N 0.634 119.739 119.070 0.059 0.000 2.319 402 H HA -0.229 4.326 4.556 -0.003 0.000 0.297 402 H C 2.117 177.475 175.328 0.052 0.000 1.097 402 H CA 2.215 58.304 56.048 0.069 0.000 1.285 402 H CB 0.143 29.953 29.762 0.079 0.000 1.368 402 H HN 0.344 nan 8.280 nan 0.000 0.495 403 E N -0.058 120.254 120.200 0.187 0.000 2.268 403 E HA -0.089 4.260 4.350 -0.003 0.000 0.195 403 E C 1.786 178.410 176.600 0.040 0.000 0.995 403 E CA 0.843 57.309 56.400 0.111 0.000 0.836 403 E CB 0.117 29.881 29.700 0.106 0.000 0.763 403 E HN 0.557 nan 8.360 nan 0.000 0.491 404 L N -0.629 120.616 121.223 0.036 0.000 2.591 404 L HA 0.171 4.510 4.340 -0.003 0.000 0.228 404 L C 1.367 178.241 176.870 0.006 0.000 1.133 404 L CA 0.440 55.293 54.840 0.022 0.000 0.880 404 L CB 0.246 42.322 42.059 0.029 0.000 1.033 404 L HN 0.310 nan 8.230 nan 0.000 0.450 405 G N -0.869 107.919 108.800 -0.020 0.000 2.205 405 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.180 405 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.180 405 G C 0.828 175.710 174.900 -0.031 0.000 1.004 405 G CA 0.067 45.144 45.100 -0.038 0.000 0.670 405 G HN 0.290 nan 8.290 nan 0.000 0.496 406 A N -0.003 122.826 122.820 0.014 0.000 2.208 406 A HA 0.666 4.984 4.320 -0.003 0.000 0.209 406 A C 1.422 179.058 177.584 0.087 0.000 1.161 406 A CA 1.900 54.011 52.037 0.124 0.000 0.782 406 A CB -0.065 19.038 19.000 0.171 0.000 0.816 406 A HN 1.788 nan 8.150 nan 0.000 0.477 407 G N -1.054 107.650 108.800 -0.160 0.000 2.733 407 G HA2 0.593 4.551 3.960 -0.003 0.000 0.288 407 G HA3 0.593 4.551 3.960 -0.003 0.000 0.288 407 G C -0.909 173.720 174.900 -0.452 0.000 1.373 407 G CA -0.941 43.945 45.100 -0.357 0.000 0.895 407 G HN 0.230 nan 8.290 nan 0.000 0.479 408 R N -0.353 119.976 120.500 -0.285 0.000 2.514 408 R HA 0.433 4.772 4.340 -0.003 0.000 0.301 408 R C 0.693 177.000 176.300 0.012 0.000 0.962 408 R CA -0.357 55.678 56.100 -0.107 0.000 0.882 408 R CB 1.896 32.195 30.300 -0.002 0.000 1.143 408 R HN 0.585 nan 8.270 nan 0.000 0.452 409 S N 2.083 117.797 115.700 0.023 0.000 2.535 409 S HA 0.080 4.549 4.470 -0.003 0.000 0.214 409 S C 0.478 175.116 174.600 0.062 0.000 0.980 409 S CA -0.376 57.877 58.200 0.089 0.000 0.907 409 S CB 0.078 63.321 63.200 0.071 0.000 0.790 409 S HN 0.686 nan 8.310 nan 0.000 0.510 410 R N -0.193 120.333 120.500 0.042 0.000 2.663 410 R HA 0.737 5.075 4.340 -0.003 0.000 0.267 410 R C -1.169 175.153 176.300 0.036 0.000 1.038 410 R CA -0.749 55.375 56.100 0.039 0.000 0.886 410 R CB 0.817 31.134 30.300 0.029 0.000 1.249 410 R HN 0.042 nan 8.270 nan 0.000 0.463 411 A N 0.648 123.493 122.820 0.041 0.000 2.462 411 A HA 0.475 4.794 4.320 -0.003 0.000 0.243 411 A C 1.398 179.001 177.584 0.032 0.000 1.076 411 A CA 0.792 52.856 52.037 0.046 0.000 0.773 411 A CB -0.398 18.634 19.000 0.053 0.000 1.010 411 A HN 1.628 nan 8.150 nan 0.000 0.493 412 G N 0.607 109.426 108.800 0.032 0.000 2.184 412 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.264 412 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.264 412 G C 0.218 175.123 174.900 0.008 0.000 0.975 412 G CA 0.577 45.689 45.100 0.019 0.000 0.642 412 G HN 1.121 nan 8.290 nan 0.000 0.536 413 E N 1.528 121.731 120.200 0.005 0.000 2.324 413 E HA 0.381 4.729 4.350 -0.003 0.000 0.271 413 E C -1.962 174.625 176.600 -0.022 0.000 1.028 413 E CA -1.705 54.690 56.400 -0.008 0.000 0.890 413 E CB 0.720 30.414 29.700 -0.011 0.000 1.004 413 E HN 0.204 nan 8.360 nan 0.000 0.431 414 P HA 0.055 nan 4.420 nan 0.000 0.271 414 P C -0.767 176.496 177.300 -0.062 0.000 1.218 414 P CA 0.131 63.207 63.100 -0.041 0.000 0.780 414 P CB 0.542 32.223 31.700 -0.031 0.000 0.901 415 L N 2.395 123.561 121.223 -0.094 0.000 2.352 415 L HA 0.475 4.813 4.340 -0.003 0.000 0.269 415 L C 0.938 177.747 176.870 -0.102 0.000 1.034 415 L CA -0.874 53.890 54.840 -0.126 0.000 0.806 415 L CB 0.953 42.865 42.059 -0.244 0.000 1.244 415 L HN 0.203 nan 8.230 nan 0.000 0.447 416 R N 1.927 122.382 120.500 -0.075 0.000 2.287 416 R HA 0.261 4.599 4.340 -0.003 0.000 0.327 416 R C 0.506 176.789 176.300 -0.028 0.000 1.109 416 R CA -0.255 55.821 56.100 -0.039 0.000 1.013 416 R CB 0.491 30.784 30.300 -0.013 0.000 1.126 416 R HN 0.577 nan 8.270 nan 0.000 0.503 417 L N 1.069 122.263 121.223 -0.048 0.000 2.478 417 L HA 0.035 4.374 4.340 -0.003 0.000 0.223 417 L C 2.027 178.920 176.870 0.038 0.000 1.140 417 L CA 0.793 55.616 54.840 -0.029 0.000 0.842 417 L CB 0.054 42.075 42.059 -0.063 0.000 0.953 417 L HN 0.762 nan 8.230 nan 0.000 0.452 418 G N -0.620 108.189 108.800 0.015 0.000 2.683 418 G HA2 0.052 4.011 3.960 -0.003 0.000 0.213 418 G HA3 0.052 4.011 3.960 -0.003 0.000 0.213 418 G C 0.705 175.612 174.900 0.012 0.000 1.142 418 G CA -0.121 44.978 45.100 -0.001 0.000 0.793 418 G HN 0.048 nan 8.290 nan 0.000 0.534 419 V N 0.813 120.758 119.914 0.051 0.000 2.740 419 V HA 0.564 4.682 4.120 -0.003 0.000 0.303 419 V C 0.956 177.094 176.094 0.074 0.000 1.054 419 V CA 1.051 63.397 62.300 0.076 0.000 1.106 419 V CB 0.694 32.556 31.823 0.065 0.000 0.957 419 V HN 0.607 nan 8.190 nan 0.000 0.486 420 G N 2.552 111.405 108.800 0.087 0.000 2.333 420 G HA2 0.669 4.627 3.960 -0.003 0.000 0.288 420 G HA3 0.669 4.627 3.960 -0.003 0.000 0.288 420 G C -1.343 173.627 174.900 0.117 0.000 1.286 420 G CA 0.033 45.169 45.100 0.060 0.000 0.865 420 G HN 1.308 nan 8.290 nan 0.000 0.506 421 A N -0.682 122.186 122.820 0.081 0.000 2.549 421 A HA 0.846 5.165 4.320 -0.003 0.000 0.297 421 A C -1.010 176.605 177.584 0.053 0.000 1.061 421 A CA -0.463 51.617 52.037 0.073 0.000 0.690 421 A CB 1.720 20.710 19.000 -0.017 0.000 1.287 421 A HN 0.635 nan 8.150 nan 0.000 0.402 422 E N 1.601 121.829 120.200 0.046 0.000 2.176 422 E HA 0.458 4.806 4.350 -0.003 0.000 0.267 422 E C -1.045 175.541 176.600 -0.023 0.000 0.893 422 E CA -0.571 55.844 56.400 0.025 0.000 0.761 422 E CB 1.918 31.661 29.700 0.070 0.000 1.133 422 E HN 0.571 nan 8.360 nan 0.000 0.409 423 L N 4.340 125.567 121.223 0.007 0.000 2.410 423 L HA 0.115 4.453 4.340 -0.003 0.000 0.273 423 L C 0.835 177.727 176.870 0.037 0.000 1.144 423 L CA 0.045 54.912 54.840 0.044 0.000 0.863 423 L CB 0.297 42.409 42.059 0.089 0.000 1.140 423 L HN 0.600 nan 8.230 nan 0.000 0.463 424 L N 4.578 125.830 121.223 0.048 0.000 2.640 424 L HA 0.170 4.508 4.340 -0.003 0.000 0.230 424 L C 0.211 177.119 176.870 0.065 0.000 1.123 424 L CA -0.088 54.775 54.840 0.039 0.000 0.900 424 L CB 0.264 42.330 42.059 0.012 0.000 1.146 424 L HN 0.518 nan 8.230 nan 0.000 0.484 425 V N -5.518 114.456 119.914 0.099 0.000 3.040 425 V HA 0.587 4.705 4.120 -0.003 0.000 0.312 425 V C -0.981 175.134 176.094 0.036 0.000 1.115 425 V CA -1.001 61.340 62.300 0.068 0.000 0.998 425 V CB 2.524 34.403 31.823 0.092 0.000 1.042 425 V HN -0.170 nan 8.190 nan 0.000 0.433 426 D N 0.962 121.354 120.400 -0.013 0.000 2.253 426 D HA 0.494 5.132 4.640 -0.003 0.000 0.249 426 D C -0.235 176.012 176.300 -0.088 0.000 1.049 426 D CA -0.170 53.804 54.000 -0.044 0.000 0.929 426 D CB 2.286 43.044 40.800 -0.069 0.000 1.176 426 D HN 0.510 nan 8.370 nan 0.000 0.437 427 V N 1.119 120.981 119.914 -0.087 0.000 2.585 427 V HA 0.369 4.488 4.120 -0.003 0.000 0.296 427 V C 1.453 177.321 176.094 -0.375 0.000 1.035 427 V CA 1.297 63.515 62.300 -0.137 0.000 1.084 427 V CB 0.705 32.519 31.823 -0.015 0.000 0.953 427 V HN 0.963 nan 8.190 nan 0.000 0.483 428 G N 3.593 111.952 108.800 -0.735 0.000 2.194 428 G HA2 -0.229 3.730 3.960 -0.003 0.000 0.236 428 G HA3 -0.229 3.730 3.960 -0.003 0.000 0.236 428 G C 0.260 174.721 174.900 -0.732 0.000 0.987 428 G CA 0.288 44.453 45.100 -1.559 0.000 0.635 428 G HN 0.782 nan 8.290 nan 0.000 0.520 429 Q N 0.283 119.849 119.800 -0.391 0.000 2.267 429 Q HA 0.616 4.954 4.340 -0.003 0.000 0.255 429 Q C 0.286 176.193 176.000 -0.155 0.000 0.923 429 Q CA -0.808 54.867 55.803 -0.213 0.000 0.925 429 Q CB 0.597 29.255 28.738 -0.133 0.000 1.195 429 Q HN 0.261 nan 8.270 nan 0.000 0.417 430 R N 4.010 124.447 120.500 -0.106 0.000 2.298 430 R HA 0.392 4.731 4.340 -0.003 0.000 0.310 430 R C -1.059 175.214 176.300 -0.046 0.000 1.068 430 R CA -0.093 55.969 56.100 -0.064 0.000 0.957 430 R CB 0.190 30.465 30.300 -0.041 0.000 1.003 430 R HN 0.647 nan 8.270 nan 0.000 0.454 431 L N 0.909 122.109 121.223 -0.039 0.000 2.371 431 L HA 0.778 5.116 4.340 -0.003 0.000 0.262 431 L C -0.766 176.096 176.870 -0.013 0.000 1.006 431 L CA -1.456 53.371 54.840 -0.020 0.000 0.818 431 L CB 2.122 44.175 42.059 -0.010 0.000 1.354 431 L HN 0.344 nan 8.230 nan 0.000 0.415 432 R N 1.139 121.639 120.500 -0.001 0.000 2.528 432 R HA 0.449 4.787 4.340 -0.003 0.000 0.271 432 R C -0.480 175.826 176.300 0.010 0.000 1.056 432 R CA -0.639 55.462 56.100 0.002 0.000 1.117 432 R CB 0.686 30.989 30.300 0.005 0.000 1.085 432 R HN 0.795 nan 8.270 nan 0.000 0.530 433 R N 0.132 120.637 120.500 0.009 0.000 2.590 433 R HA 0.365 4.703 4.340 -0.003 0.000 0.274 433 R C 0.401 176.717 176.300 0.027 0.000 1.061 433 R CA 0.496 56.606 56.100 0.017 0.000 1.081 433 R CB 0.230 30.536 30.300 0.010 0.000 0.984 433 R HN 0.694 nan 8.270 nan 0.000 0.448 434 G N 1.479 110.305 108.800 0.043 0.000 2.179 434 G HA2 -0.327 3.632 3.960 -0.003 0.000 0.260 434 G HA3 -0.327 3.632 3.960 -0.003 0.000 0.260 434 G C 0.125 175.055 174.900 0.050 0.000 0.977 434 G CA 0.453 45.580 45.100 0.045 0.000 0.641 434 G HN 1.040 nan 8.290 nan 0.000 0.533 435 T N 0.057 114.649 114.554 0.062 0.000 2.817 435 T HA 0.584 4.932 4.350 -0.003 0.000 0.293 435 T C -2.391 172.373 174.700 0.108 0.000 0.964 435 T CA -1.648 60.490 62.100 0.064 0.000 1.085 435 T CB 2.171 71.071 68.868 0.053 0.000 0.921 435 T HN 0.082 nan 8.240 nan 0.000 0.502 436 P HA 0.092 nan 4.420 nan 0.000 0.271 436 P C 0.550 177.914 177.300 0.106 0.000 1.226 436 P CA -0.463 62.662 63.100 0.042 0.000 0.765 436 P CB 0.240 31.926 31.700 -0.023 0.000 0.835 437 W N 4.185 125.473 121.300 -0.021 0.000 2.901 437 W HA 0.405 5.063 4.660 -0.003 0.000 0.281 437 W C -1.442 175.066 176.519 -0.018 0.000 1.167 437 W CA -0.044 57.288 57.345 -0.020 0.000 1.506 437 W CB 0.084 29.532 29.460 -0.020 0.000 0.985 437 W HN 0.138 nan 8.180 nan 0.000 0.590 438 L N 2.107 122.855 121.223 -0.792 0.000 2.464 438 L HA 0.528 4.867 4.340 -0.003 0.000 0.266 438 L C -0.754 175.814 176.870 -0.503 0.000 0.965 438 L CA -0.976 53.388 54.840 -0.793 0.000 0.833 438 L CB 2.180 43.339 42.059 -1.501 0.000 1.296 438 L HN -0.029 nan 8.230 nan 0.000 0.405 439 R N 3.852 124.166 120.500 -0.309 0.000 2.310 439 R HA 0.760 5.099 4.340 -0.003 0.000 0.324 439 R C -1.680 174.455 176.300 -0.276 0.000 0.955 439 R CA -0.533 55.398 56.100 -0.281 0.000 0.830 439 R CB 1.387 31.553 30.300 -0.224 0.000 1.154 439 R HN 0.522 nan 8.270 nan 0.000 0.458 440 V N 5.139 124.874 119.914 -0.298 0.000 2.394 440 V HA 0.264 4.383 4.120 -0.003 0.000 0.282 440 V C -0.105 175.826 176.094 -0.271 0.000 1.031 440 V CA -0.616 61.565 62.300 -0.199 0.000 0.881 440 V CB 1.342 33.078 31.823 -0.145 0.000 0.982 440 V HN 0.769 nan 8.190 nan 0.000 0.451 441 H N 6.152 125.192 119.070 -0.051 0.000 2.597 441 H HA 0.523 5.077 4.556 -0.002 0.000 0.303 441 H C -0.052 175.263 175.328 -0.022 0.000 1.057 441 H CA -0.481 55.547 56.048 -0.033 0.000 1.261 441 H CB 1.186 30.933 29.762 -0.025 0.000 1.397 441 H HN 0.685 nan 8.280 nan 0.000 0.461 442 R N 1.492 122.023 120.500 0.051 0.000 2.750 442 R HA 0.331 4.669 4.340 -0.003 0.000 0.281 442 R C -0.764 175.551 176.300 0.026 0.000 0.972 442 R CA -0.782 55.337 56.100 0.030 0.000 0.912 442 R CB 1.558 31.859 30.300 0.001 0.000 1.187 442 R HN 0.245 nan 8.270 nan 0.000 0.464 443 D N 1.197 121.610 120.400 0.022 0.000 2.262 443 D HA 0.066 4.705 4.640 -0.003 0.000 0.212 443 D C 1.113 177.418 176.300 0.007 0.000 0.964 443 D CA 1.075 55.084 54.000 0.014 0.000 0.875 443 D CB 0.115 40.923 40.800 0.012 0.000 0.996 443 D HN 0.684 nan 8.370 nan 0.000 0.497 444 G N 1.209 110.012 108.800 0.005 0.000 2.485 444 G HA2 0.166 4.125 3.960 -0.003 0.000 0.260 444 G HA3 0.166 4.125 3.960 -0.003 0.000 0.260 444 G C -1.303 173.596 174.900 -0.001 0.000 1.459 444 G CA -0.229 44.872 45.100 0.002 0.000 1.060 444 G HN 0.019 nan 8.290 nan 0.000 0.546 445 P HA 0.247 nan 4.420 nan 0.000 0.215 445 P C 0.205 177.501 177.300 -0.008 0.000 1.157 445 P CA 1.751 64.848 63.100 -0.004 0.000 0.856 445 P CB 0.280 31.979 31.700 -0.002 0.000 0.786 446 A N -1.870 120.945 122.820 -0.008 0.000 2.555 446 A HA 0.379 4.698 4.320 -0.003 0.000 0.299 446 A C -1.453 176.125 177.584 -0.010 0.000 0.962 446 A CA -0.832 51.197 52.037 -0.013 0.000 0.646 446 A CB -0.496 18.497 19.000 -0.012 0.000 1.327 446 A HN 0.012 nan 8.150 nan 0.000 0.428 447 L N 2.273 123.488 121.223 -0.015 0.000 2.453 447 L HA 0.386 4.725 4.340 -0.003 0.000 0.272 447 L C 1.484 178.353 176.870 -0.002 0.000 1.182 447 L CA 0.194 55.029 54.840 -0.009 0.000 0.858 447 L CB 1.007 43.056 42.059 -0.015 0.000 1.120 447 L HN 0.967 nan 8.230 nan 0.000 0.474 448 S N 1.996 117.698 115.700 0.004 0.000 2.626 448 S HA 0.184 4.653 4.470 -0.003 0.000 0.257 448 S C 1.306 175.911 174.600 0.008 0.000 1.288 448 S CA -0.216 57.987 58.200 0.006 0.000 0.980 448 S CB 1.134 64.340 63.200 0.009 0.000 0.975 448 S HN 0.750 nan 8.310 nan 0.000 0.577 449 G N 0.986 109.792 108.800 0.009 0.000 2.459 449 G HA2 -0.070 3.889 3.960 -0.003 0.000 0.217 449 G HA3 -0.070 3.889 3.960 -0.003 0.000 0.217 449 G C -1.020 173.888 174.900 0.014 0.000 1.183 449 G CA 0.859 45.965 45.100 0.011 0.000 0.776 449 G HN 0.651 nan 8.290 nan 0.000 0.552 450 P HA -0.106 nan 4.420 nan 0.000 0.215 450 P C 2.013 179.324 177.300 0.018 0.000 1.153 450 P CA 1.757 64.866 63.100 0.015 0.000 0.853 450 P CB -0.148 31.560 31.700 0.013 0.000 0.788 451 Q N -1.071 118.740 119.800 0.018 0.000 2.187 451 Q HA -0.043 4.295 4.340 -0.003 0.000 0.199 451 Q C 2.227 178.240 176.000 0.023 0.000 0.957 451 Q CA 1.460 57.275 55.803 0.020 0.000 0.857 451 Q CB -1.082 27.668 28.738 0.019 0.000 0.929 451 Q HN 0.075 nan 8.270 nan 0.000 0.453 452 S N 0.902 116.614 115.700 0.020 0.000 2.356 452 S HA -0.111 4.357 4.470 -0.003 0.000 0.223 452 S C 2.047 176.675 174.600 0.046 0.000 1.032 452 S CA 1.063 59.277 58.200 0.024 0.000 1.005 452 S CB -0.069 63.141 63.200 0.016 0.000 0.867 452 S HN 0.412 nan 8.310 nan 0.000 0.449 453 R N 0.502 121.025 120.500 0.039 0.000 2.081 453 R HA 0.013 4.351 4.340 -0.003 0.000 0.235 453 R C 2.627 178.957 176.300 0.051 0.000 1.131 453 R CA 1.259 57.385 56.100 0.044 0.000 0.960 453 R CB -0.565 29.752 30.300 0.028 0.000 0.856 453 R HN 0.500 nan 8.270 nan 0.000 0.436 454 A N 0.989 123.834 122.820 0.043 0.000 1.933 454 A HA -0.123 4.195 4.320 -0.003 0.000 0.218 454 A C 2.112 179.740 177.584 0.074 0.000 1.175 454 A CA 1.146 53.209 52.037 0.042 0.000 0.628 454 A CB -0.419 18.596 19.000 0.026 0.000 0.814 454 A HN 0.187 nan 8.150 nan 0.000 0.444 455 L N -1.243 120.038 121.223 0.098 0.000 2.109 455 L HA -0.192 4.147 4.340 -0.003 0.000 0.207 455 L C 2.836 179.900 176.870 0.323 0.000 1.086 455 L CA 1.250 56.191 54.840 0.169 0.000 0.760 455 L CB -0.522 41.592 42.059 0.092 0.000 0.910 455 L HN 0.465 nan 8.230 nan 0.000 0.437 456 Q N 0.266 120.218 119.800 0.253 0.000 2.124 456 Q HA -0.239 4.100 4.340 -0.003 0.000 0.202 456 Q C 1.904 177.965 176.000 0.101 0.000 0.977 456 Q CA 1.837 57.795 55.803 0.259 0.000 0.850 456 Q CB -0.029 28.804 28.738 0.158 0.000 0.901 456 Q HN 0.580 nan 8.270 nan 0.000 0.429 457 E N 0.171 120.410 120.200 0.066 0.000 2.418 457 E HA -0.052 4.297 4.350 -0.003 0.000 0.197 457 E C 1.536 178.130 176.600 -0.010 0.000 1.026 457 E CA 0.937 57.343 56.400 0.009 0.000 0.862 457 E CB -0.170 29.537 29.700 0.011 0.000 0.799 457 E HN 0.287 nan 8.360 nan 0.000 0.518 458 A N 0.900 123.745 122.820 0.041 0.000 1.969 458 A HA 0.033 4.352 4.320 -0.003 0.000 0.218 458 A C 1.138 178.651 177.584 -0.117 0.000 1.169 458 A CA 0.399 52.456 52.037 0.034 0.000 0.635 458 A CB -0.373 18.734 19.000 0.179 0.000 0.810 458 A HN 0.346 nan 8.150 nan 0.000 0.445 459 L N 1.404 122.412 121.223 -0.358 0.000 2.369 459 L HA 0.358 4.697 4.340 -0.003 0.000 0.279 459 L C -0.605 176.049 176.870 -0.360 0.000 1.108 459 L CA 0.150 54.591 54.840 -0.664 0.000 0.852 459 L CB 0.850 42.038 42.059 -1.451 0.000 1.169 459 L HN 0.023 nan 8.230 nan 0.000 0.452 460 V N 7.162 126.927 119.914 -0.248 0.000 2.350 460 V HA 0.407 4.525 4.120 -0.003 0.000 0.276 460 V C 0.226 176.239 176.094 -0.135 0.000 1.028 460 V CA -0.535 61.676 62.300 -0.148 0.000 0.860 460 V CB 1.130 32.904 31.823 -0.081 0.000 0.990 460 V HN 0.593 nan 8.190 nan 0.000 0.453 461 L N 4.529 125.681 121.223 -0.119 0.000 2.330 461 L HA 0.855 5.194 4.340 -0.003 0.000 0.271 461 L C 0.224 177.069 176.870 -0.042 0.000 1.013 461 L CA -0.176 54.610 54.840 -0.089 0.000 0.816 461 L CB 2.251 44.244 42.059 -0.110 0.000 1.287 461 L HN 0.807 nan 8.230 nan 0.000 0.435 462 S N -1.162 114.530 115.700 -0.014 0.000 2.685 462 S HA 0.374 4.842 4.470 -0.003 0.000 0.282 462 S C -0.256 174.350 174.600 0.010 0.000 1.159 462 S CA -0.694 57.507 58.200 0.003 0.000 0.833 462 S CB 1.904 65.118 63.200 0.023 0.000 1.151 462 S HN 0.562 nan 8.310 nan 0.000 0.485 463 D N 0.426 120.832 120.400 0.010 0.000 2.347 463 D HA 0.198 4.837 4.640 -0.003 0.000 0.213 463 D C 0.690 177.005 176.300 0.026 0.000 0.985 463 D CA 0.312 54.319 54.000 0.011 0.000 0.879 463 D CB -0.113 40.690 40.800 0.004 0.000 0.919 463 D HN 0.372 nan 8.370 nan 0.000 0.526 464 R N 0.428 120.954 120.500 0.044 0.000 2.817 464 R HA 0.258 4.597 4.340 -0.003 0.000 0.264 464 R C 0.361 176.715 176.300 0.090 0.000 1.009 464 R CA -0.073 56.065 56.100 0.064 0.000 1.133 464 R CB 0.353 30.703 30.300 0.083 0.000 1.013 464 R HN -0.014 nan 8.270 nan 0.000 0.453 465 A N 3.752 126.628 122.820 0.092 0.000 2.462 465 A HA 0.234 4.553 4.320 -0.003 0.000 0.243 465 A C -1.904 175.790 177.584 0.183 0.000 1.076 465 A CA -1.238 50.858 52.037 0.100 0.000 0.773 465 A CB -0.228 18.817 19.000 0.075 0.000 1.010 465 A HN 0.456 nan 8.150 nan 0.000 0.493 466 P HA 0.315 nan 4.420 nan 0.000 0.267 466 P C -0.840 176.540 177.300 0.132 0.000 1.200 466 P CA 0.561 63.681 63.100 0.033 0.000 0.772 466 P CB 0.148 31.826 31.700 -0.037 0.000 0.855 467 F N -1.259 118.686 119.950 -0.008 0.000 2.643 467 F HA 0.754 5.279 4.527 -0.003 0.000 0.314 467 F C -0.801 174.996 175.800 -0.005 0.000 1.096 467 F CA -1.913 56.083 58.000 -0.006 0.000 0.953 467 F CB 0.680 39.676 39.000 -0.007 0.000 1.345 467 F HN 0.360 nan 8.300 nan 0.000 0.468 468 A N 1.392 124.317 122.820 0.176 0.000 2.477 468 A HA 0.582 4.900 4.320 -0.003 0.000 0.246 468 A C 0.388 178.051 177.584 0.131 0.000 1.078 468 A CA -0.113 51.972 52.037 0.081 0.000 0.770 468 A CB -0.426 18.624 19.000 0.084 0.000 1.011 468 A HN 1.608 nan 8.150 nan 0.000 0.494 469 A N 4.690 127.521 122.820 0.019 0.000 2.526 469 A HA 0.450 4.769 4.320 -0.003 0.000 0.267 469 A C -1.977 175.665 177.584 0.096 0.000 1.095 469 A CA -0.698 51.367 52.037 0.047 0.000 0.775 469 A CB -0.910 18.086 19.000 -0.006 0.000 1.036 469 A HN 0.657 nan 8.150 nan 0.000 0.510 470 P HA 0.223 nan 4.420 nan 0.000 0.268 470 P C -0.416 176.925 177.300 0.067 0.000 1.204 470 P CA 0.044 63.207 63.100 0.106 0.000 0.768 470 P CB 0.432 32.200 31.700 0.112 0.000 0.842 471 L N 5.039 126.293 121.223 0.051 0.000 2.375 471 L HA 0.342 4.680 4.340 -0.003 0.000 0.271 471 L C -1.628 175.268 176.870 0.044 0.000 1.107 471 L CA -2.152 52.709 54.840 0.034 0.000 0.806 471 L CB 0.035 42.106 42.059 0.019 0.000 1.146 471 L HN 0.294 nan 8.230 nan 0.000 0.447 472 P HA -0.134 nan 4.420 nan 0.000 0.260 472 P C -0.450 176.902 177.300 0.086 0.000 1.172 472 P CA 0.117 63.251 63.100 0.056 0.000 0.760 472 P CB 0.076 31.796 31.700 0.033 0.000 0.773 473 F N 3.067 122.994 119.950 -0.038 0.000 2.623 473 F HA 0.201 4.727 4.527 -0.003 0.000 0.383 473 F C 0.244 176.045 175.800 0.002 0.000 1.077 473 F CA 0.537 58.527 58.000 -0.016 0.000 1.268 473 F CB 0.334 39.308 39.000 -0.044 0.000 1.053 473 F HN 0.473 nan 8.300 nan 0.000 0.571 474 A N 6.619 129.252 122.820 -0.312 0.000 2.768 474 A HA 0.283 4.602 4.320 -0.003 0.000 0.299 474 A C -0.819 176.628 177.584 -0.228 0.000 1.171 474 A CA -0.648 51.303 52.037 -0.144 0.000 0.759 474 A CB 0.368 19.330 19.000 -0.063 0.000 1.267 474 A HN 0.755 nan 8.150 nan 0.000 0.421 475 E N 2.591 122.697 120.200 -0.156 0.000 2.156 475 E HA 0.496 4.844 4.350 -0.003 0.000 0.279 475 E C -1.507 175.101 176.600 0.013 0.000 0.965 475 E CA -0.659 55.676 56.400 -0.108 0.000 0.789 475 E CB 1.120 30.804 29.700 -0.027 0.000 1.098 475 E HN 0.541 nan 8.360 nan 0.000 0.397 476 L N 5.677 126.892 121.223 -0.013 0.000 2.264 476 L HA 0.259 4.598 4.340 -0.003 0.000 0.289 476 L C -1.073 175.826 176.870 0.048 0.000 1.044 476 L CA -0.476 54.379 54.840 0.023 0.000 0.807 476 L CB 1.430 43.483 42.059 -0.010 0.000 1.192 476 L HN 0.347 nan 8.230 nan 0.000 0.425 477 V N 6.679 126.638 119.914 0.074 0.000 2.407 477 V HA 0.431 4.549 4.120 -0.003 0.000 0.278 477 V C 0.186 176.331 176.094 0.085 0.000 1.037 477 V CA -0.489 61.854 62.300 0.073 0.000 0.900 477 V CB 1.301 33.167 31.823 0.072 0.000 0.983 477 V HN 0.582 nan 8.190 nan 0.000 0.459 478 L N 6.493 127.765 121.223 0.082 0.000 2.319 478 L HA 0.690 5.028 4.340 -0.003 0.000 0.267 478 L C -1.994 174.918 176.870 0.069 0.000 1.011 478 L CA -1.591 53.306 54.840 0.095 0.000 0.818 478 L CB 2.178 44.312 42.059 0.124 0.000 1.316 478 L HN 0.499 nan 8.230 nan 0.000 0.432 479 P HA 0.000 nan 4.420 nan 0.000 0.216 479 P CA 0.000 63.127 63.100 0.045 0.000 0.800 479 P CB 0.000 31.723 31.700 0.038 0.000 0.726