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 1d1s_1_B DATA FIRST_RESID 1 DATA SEQUENCE GTAGKVIKCK AAVLWEQKQP FSIEEIEVAP PKTKEVRIKI LATGICRTDD DATA SEQUENCE HVIKGTMVSK FPVIVGHEAT GIVESIGEGV TTVKPGDKVI PLFLPQCREC DATA SEQUENCE NACRNPDGNL CIRSDIXTGR GVLADGTTRF TCKGKPVHHF MNTSTFTEYT DATA SEQUENCE VVDESSVAKI DDAAPPEKVC LIGCGFSTGY GAAVKTGKVK PGSTCVVFGL DATA SEQUENCE GGVGLSVIMG CKSAGASRII GIDLNKDKFE KAMAVGATEC ISPKDSTKPI DATA SEQUENCE SEVLSEMTGN NVGYTFEVIG HLETMIDALA SCHMNYGTSV VVGVPPSAKM DATA SEQUENCE LTYDPMLLFT GRTWKGCVFG GLKSRDDVPK LVTEFLAKKF DLDQLITHVL DATA SEQUENCE PFKKISEGFE LLNSGQSIRT VLTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1 G C 0.000 174.889 174.900 -0.018 0.000 0.946 1 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 2 T N -0.754 113.785 114.554 -0.025 0.000 3.051 2 T HA 0.509 4.859 4.350 0.001 0.000 0.255 2 T C 1.417 176.090 174.700 -0.045 0.000 1.085 2 T CA 1.164 63.232 62.100 -0.053 0.000 1.109 2 T CB -0.002 68.808 68.868 -0.097 0.000 0.921 2 T HN 1.560 nan 8.240 nan 0.000 0.488 3 A N 1.195 124.001 122.820 -0.023 0.000 2.565 3 A HA 0.476 4.796 4.320 0.001 0.000 0.237 3 A C 1.818 179.391 177.584 -0.017 0.000 1.053 3 A CA 0.370 52.398 52.037 -0.015 0.000 0.755 3 A CB -1.072 17.925 19.000 -0.004 0.000 0.980 3 A HN 1.337 nan 8.150 nan 0.000 0.506 4 G N 0.893 109.683 108.800 -0.016 0.000 2.189 4 G HA2 -0.258 3.702 3.960 0.001 0.000 0.267 4 G HA3 -0.258 3.702 3.960 0.001 0.000 0.267 4 G C 0.252 175.141 174.900 -0.018 0.000 0.975 4 G CA 1.327 46.419 45.100 -0.014 0.000 0.644 4 G HN 0.893 nan 8.290 nan 0.000 0.537 5 K N -0.644 119.739 120.400 -0.028 0.000 2.281 5 K HA 0.723 5.043 4.320 0.001 0.000 0.242 5 K C 0.353 176.928 176.600 -0.043 0.000 0.971 5 K CA -0.686 55.583 56.287 -0.031 0.000 0.834 5 K CB 2.102 34.581 32.500 -0.034 0.000 1.181 5 K HN 0.118 nan 8.250 nan 0.000 0.435 6 V N 3.103 122.997 119.914 -0.034 0.000 2.715 6 V HA 0.240 4.361 4.120 0.001 0.000 0.299 6 V C 0.312 176.368 176.094 -0.064 0.000 1.054 6 V CA -0.254 62.026 62.300 -0.033 0.000 1.077 6 V CB 0.487 32.304 31.823 -0.010 0.000 0.972 6 V HN 0.537 nan 8.190 nan 0.000 0.484 7 I N 4.943 125.459 120.570 -0.091 0.000 2.377 7 I HA 0.383 4.554 4.170 0.001 0.000 0.293 7 I C 0.140 176.209 176.117 -0.080 0.000 0.987 7 I CA -0.600 60.605 61.300 -0.159 0.000 1.185 7 I CB 1.355 39.131 38.000 -0.374 0.000 1.341 7 I HN 0.539 nan 8.210 nan 0.000 0.455 8 K N 6.249 126.616 120.400 -0.056 0.000 2.213 8 K HA 0.599 4.919 4.320 0.001 0.000 0.270 8 K C -0.707 175.902 176.600 0.015 0.000 1.002 8 K CA -0.473 55.812 56.287 -0.003 0.000 0.868 8 K CB 1.778 34.283 32.500 0.010 0.000 1.093 8 K HN 0.809 nan 8.250 nan 0.000 0.454 9 C N -0.071 119.259 119.300 0.050 0.000 3.276 9 C HA 0.539 4.999 4.460 0.001 0.000 0.370 9 C C -1.411 173.633 174.990 0.090 0.000 1.624 9 C CA -1.186 57.889 59.018 0.095 0.000 1.179 9 C CB 1.001 28.843 27.740 0.170 0.000 1.909 9 C HN 0.734 nan 8.230 nan 0.000 0.434 10 K N 0.705 121.172 120.400 0.112 0.000 2.203 10 K HA 0.827 5.147 4.320 0.001 0.000 0.251 10 K C -0.701 175.969 176.600 0.118 0.000 0.944 10 K CA -0.052 56.311 56.287 0.126 0.000 0.829 10 K CB 2.142 34.745 32.500 0.172 0.000 1.125 10 K HN 1.167 nan 8.250 nan 0.000 0.430 11 A N 0.829 123.731 122.820 0.136 0.000 2.547 11 A HA 0.628 4.948 4.320 0.001 0.000 0.297 11 A C -1.438 176.277 177.584 0.219 0.000 1.056 11 A CA -0.779 51.340 52.037 0.137 0.000 0.688 11 A CB 1.587 20.537 19.000 -0.083 0.000 1.282 11 A HN 0.688 nan 8.150 nan 0.000 0.400 12 A N 1.785 124.822 122.820 0.361 0.000 2.376 12 A HA 0.553 4.874 4.320 0.001 0.000 0.298 12 A C -0.022 177.745 177.584 0.305 0.000 1.271 12 A CA -0.087 52.094 52.037 0.240 0.000 0.926 12 A CB -0.543 18.398 19.000 -0.098 0.000 1.141 12 A HN 1.186 nan 8.150 nan 0.000 0.539 13 V N 3.917 123.926 119.914 0.158 0.000 2.617 13 V HA 0.381 4.501 4.120 0.001 0.000 0.298 13 V C 0.139 176.154 176.094 -0.131 0.000 1.048 13 V CA -0.419 61.824 62.300 -0.095 0.000 0.964 13 V CB 1.583 33.143 31.823 -0.438 0.000 1.004 13 V HN 0.738 nan 8.190 nan 0.000 0.466 14 L N 2.850 123.934 121.223 -0.232 0.000 2.319 14 L HA 0.333 4.673 4.340 0.001 0.000 0.281 14 L C -0.094 176.698 176.870 -0.130 0.000 1.005 14 L CA -0.187 54.546 54.840 -0.180 0.000 0.828 14 L CB 1.829 43.826 42.059 -0.103 0.000 1.227 14 L HN 0.774 nan 8.230 nan 0.000 0.415 15 W N 1.016 122.326 121.300 0.016 0.000 2.523 15 W HA 0.116 4.776 4.660 0.001 0.000 0.278 15 W C 0.818 177.240 176.519 -0.162 0.000 1.236 15 W CA 0.122 57.475 57.345 0.014 0.000 1.306 15 W CB 0.592 30.037 29.460 -0.025 0.000 1.101 15 W HN 0.378 nan 8.180 nan 0.000 0.577 16 E N -0.810 119.199 120.200 -0.318 0.000 2.454 16 E HA 0.101 4.451 4.350 0.001 0.000 0.279 16 E C -0.757 175.207 176.600 -1.060 0.000 1.029 16 E CA -0.765 55.083 56.400 -0.920 0.000 0.831 16 E CB 0.789 30.259 29.700 -0.384 0.000 1.405 16 E HN 0.004 nan 8.360 nan 0.000 0.463 17 Q N 0.141 119.318 119.800 -1.039 0.000 2.382 17 Q HA 0.333 4.673 4.340 0.001 0.000 0.229 17 Q C -0.641 175.211 176.000 -0.247 0.000 1.006 17 Q CA -0.402 55.133 55.803 -0.446 0.000 0.916 17 Q CB 0.680 29.318 28.738 -0.166 0.000 1.235 17 Q HN 0.392 nan 8.270 nan 0.000 0.512 18 K N 0.320 120.636 120.400 -0.140 0.000 3.148 18 K HA -0.252 4.068 4.320 0.001 0.000 0.267 18 K C -0.982 175.545 176.600 -0.122 0.000 0.996 18 K CA 0.810 57.035 56.287 -0.103 0.000 0.737 18 K CB -1.480 30.977 32.500 -0.073 0.000 1.308 18 K HN 0.700 nan 8.250 nan 0.000 0.470 19 Q N -0.850 118.855 119.800 -0.158 0.000 2.418 19 Q HA 0.402 4.742 4.340 0.001 0.000 0.282 19 Q C -2.662 173.221 176.000 -0.194 0.000 1.044 19 Q CA -2.080 53.638 55.803 -0.141 0.000 0.813 19 Q CB 2.762 31.427 28.738 -0.122 0.000 1.428 19 Q HN -0.073 nan 8.270 nan 0.000 0.402 20 P HA 0.207 nan 4.420 nan 0.000 0.276 20 P C -0.903 176.311 177.300 -0.144 0.000 1.252 20 P CA -0.356 62.658 63.100 -0.143 0.000 0.802 20 P CB 0.479 32.154 31.700 -0.041 0.000 1.035 21 F N -0.275 119.602 119.950 -0.122 0.000 2.539 21 F HA 0.241 4.768 4.527 0.001 0.000 0.340 21 F C 1.351 177.139 175.800 -0.021 0.000 1.185 21 F CA 0.963 58.904 58.000 -0.099 0.000 1.333 21 F CB 0.373 39.263 39.000 -0.184 0.000 1.152 21 F HN 0.098 nan 8.300 nan 0.000 0.602 22 S N 3.034 118.889 115.700 0.259 0.000 2.746 22 S HA 0.457 4.927 4.470 0.001 0.000 0.273 22 S C -0.727 173.996 174.600 0.205 0.000 1.172 22 S CA -0.704 57.638 58.200 0.236 0.000 1.116 22 S CB -0.092 63.355 63.200 0.412 0.000 1.057 22 S HN 0.454 nan 8.310 nan 0.000 0.483 23 I N 3.804 124.448 120.570 0.124 0.000 2.505 23 I HA 0.236 4.406 4.170 0.001 0.000 0.287 23 I C 0.519 176.725 176.117 0.147 0.000 1.104 23 I CA 0.143 61.511 61.300 0.113 0.000 1.387 23 I CB 0.478 38.506 38.000 0.047 0.000 1.404 23 I HN 0.552 nan 8.210 nan 0.000 0.528 24 E N 5.086 125.383 120.200 0.161 0.000 2.320 24 E HA 0.344 4.694 4.350 0.001 0.000 0.264 24 E C -0.819 175.858 176.600 0.128 0.000 0.923 24 E CA -0.641 55.862 56.400 0.172 0.000 0.796 24 E CB 1.422 31.264 29.700 0.236 0.000 1.262 24 E HN 0.294 nan 8.360 nan 0.000 0.428 25 E N 1.844 122.116 120.200 0.121 0.000 2.130 25 E HA 0.288 4.638 4.350 0.001 0.000 0.284 25 E C -0.355 176.297 176.600 0.086 0.000 1.018 25 E CA -0.214 56.242 56.400 0.093 0.000 0.817 25 E CB 0.471 30.221 29.700 0.083 0.000 1.078 25 E HN 0.465 nan 8.360 nan 0.000 0.396 26 I N -0.513 120.092 120.570 0.059 0.000 3.067 26 I HA 0.567 4.737 4.170 0.001 0.000 0.312 26 I C -0.452 175.697 176.117 0.053 0.000 1.073 26 I CA -1.069 60.258 61.300 0.044 0.000 1.016 26 I CB 2.001 39.981 38.000 -0.034 0.000 1.227 26 I HN 0.070 nan 8.210 nan 0.000 0.456 27 E N 1.832 122.078 120.200 0.076 0.000 2.222 27 E HA 0.625 4.976 4.350 0.001 0.000 0.267 27 E C -1.442 175.243 176.600 0.143 0.000 0.884 27 E CA -0.811 55.636 56.400 0.078 0.000 0.764 27 E CB 2.782 32.521 29.700 0.064 0.000 1.169 27 E HN 0.437 nan 8.360 nan 0.000 0.413 28 V N 2.339 122.327 119.914 0.124 0.000 2.407 28 V HA 0.554 4.675 4.120 0.001 0.000 0.291 28 V C 0.054 176.190 176.094 0.069 0.000 1.018 28 V CA -0.868 61.543 62.300 0.186 0.000 0.842 28 V CB 1.317 33.262 31.823 0.205 0.000 0.996 28 V HN 0.867 nan 8.190 nan 0.000 0.426 29 A N 8.546 131.394 122.820 0.048 0.000 2.406 29 A HA 0.613 4.934 4.320 0.001 0.000 0.243 29 A C -1.968 175.614 177.584 -0.004 0.000 1.082 29 A CA -0.858 51.185 52.037 0.010 0.000 0.786 29 A CB -0.113 18.886 19.000 -0.001 0.000 1.029 29 A HN 0.637 nan 8.150 nan 0.000 0.495 30 P HA 0.240 nan 4.420 nan 0.000 0.272 30 P C -2.757 174.537 177.300 -0.011 0.000 1.240 30 P CA -1.250 61.842 63.100 -0.014 0.000 0.791 30 P CB -0.200 31.491 31.700 -0.016 0.000 0.978 31 P HA 0.224 nan 4.420 nan 0.000 0.281 31 P C -0.155 177.137 177.300 -0.013 0.000 1.252 31 P CA -0.028 63.067 63.100 -0.008 0.000 0.778 31 P CB 1.112 32.813 31.700 0.001 0.000 0.895 32 K N 0.963 121.351 120.400 -0.020 0.000 2.583 32 K HA 0.252 4.573 4.320 0.001 0.000 0.266 32 K C 0.471 177.060 176.600 -0.018 0.000 1.037 32 K CA -0.461 55.814 56.287 -0.020 0.000 0.996 32 K CB -0.189 32.295 32.500 -0.027 0.000 1.307 32 K HN 0.374 nan 8.250 nan 0.000 0.502 33 T N 2.220 116.763 114.554 -0.018 0.000 2.933 33 T HA -0.031 4.319 4.350 0.001 0.000 0.306 33 T C 0.111 174.800 174.700 -0.019 0.000 1.045 33 T CA 0.388 62.478 62.100 -0.016 0.000 1.143 33 T CB -0.028 68.830 68.868 -0.017 0.000 1.003 33 T HN 0.468 nan 8.240 nan 0.000 0.540 34 K N 0.234 120.625 120.400 -0.015 0.000 2.960 34 K HA -0.232 4.089 4.320 0.001 0.000 0.259 34 K C 0.180 176.770 176.600 -0.017 0.000 1.025 34 K CA 1.057 57.335 56.287 -0.015 0.000 0.756 34 K CB -1.104 31.386 32.500 -0.017 0.000 1.221 34 K HN 0.714 nan 8.250 nan 0.000 0.483 35 E N -0.557 119.634 120.200 -0.016 0.000 2.264 35 E HA 0.632 4.982 4.350 0.001 0.000 0.260 35 E C -0.772 175.826 176.600 -0.002 0.000 0.961 35 E CA -1.171 55.220 56.400 -0.014 0.000 0.834 35 E CB 2.224 31.911 29.700 -0.022 0.000 1.230 35 E HN -0.065 nan 8.360 nan 0.000 0.412 36 V N 1.406 121.324 119.914 0.006 0.000 2.655 36 V HA 0.292 4.413 4.120 0.001 0.000 0.301 36 V C -0.765 175.350 176.094 0.035 0.000 1.082 36 V CA -0.728 61.583 62.300 0.018 0.000 0.899 36 V CB 1.807 33.639 31.823 0.014 0.000 1.014 36 V HN 0.524 nan 8.190 nan 0.000 0.429 37 R N 4.618 125.147 120.500 0.048 0.000 2.265 37 R HA 0.717 5.057 4.340 0.001 0.000 0.314 37 R C -1.107 175.256 176.300 0.106 0.000 1.053 37 R CA -0.159 55.994 56.100 0.088 0.000 0.931 37 R CB 0.658 31.011 30.300 0.088 0.000 1.024 37 R HN 0.704 nan 8.270 nan 0.000 0.457 38 I N 3.633 124.266 120.570 0.105 0.000 2.545 38 I HA 0.298 4.468 4.170 0.001 0.000 0.292 38 I C -0.435 175.633 176.117 -0.082 0.000 1.040 38 I CA -0.974 60.342 61.300 0.026 0.000 1.068 38 I CB 2.152 40.144 38.000 -0.014 0.000 1.251 38 I HN 0.501 nan 8.210 nan 0.000 0.424 39 K N 6.165 126.420 120.400 -0.243 0.000 2.227 39 K HA 0.441 4.762 4.320 0.001 0.000 0.280 39 K C -0.782 175.524 176.600 -0.490 0.000 1.041 39 K CA -0.615 55.271 56.287 -0.668 0.000 0.905 39 K CB 0.906 33.045 32.500 -0.601 0.000 1.068 39 K HN 0.415 nan 8.250 nan 0.000 0.470 40 I N 6.763 126.930 120.570 -0.672 0.000 2.371 40 I HA 0.023 4.193 4.170 0.001 0.000 0.290 40 I C 1.096 176.880 176.117 -0.555 0.000 1.028 40 I CA 0.065 60.988 61.300 -0.628 0.000 1.345 40 I CB 0.925 38.380 38.000 -0.908 0.000 1.407 40 I HN 0.803 nan 8.210 nan 0.000 0.501 41 L N 4.889 125.978 121.223 -0.223 0.000 2.286 41 L HA 0.374 4.715 4.340 0.001 0.000 0.203 41 L C 0.783 177.731 176.870 0.130 0.000 1.068 41 L CA 0.383 55.200 54.840 -0.038 0.000 0.811 41 L CB 0.049 42.094 42.059 -0.024 0.000 0.989 41 L HN 0.716 nan 8.230 nan 0.000 0.467 42 A N -0.942 121.945 122.820 0.113 0.000 2.574 42 A HA 0.648 4.968 4.320 0.001 0.000 0.297 42 A C -0.930 176.754 177.584 0.167 0.000 1.062 42 A CA -0.259 51.888 52.037 0.182 0.000 0.686 42 A CB 1.924 20.989 19.000 0.110 0.000 1.285 42 A HN -0.100 nan 8.150 nan 0.000 0.403 43 T N 0.312 115.001 114.554 0.226 0.000 2.993 43 T HA 0.639 4.989 4.350 0.001 0.000 0.312 43 T C 0.186 175.012 174.700 0.210 0.000 1.115 43 T CA 0.372 62.611 62.100 0.230 0.000 1.027 43 T CB 1.163 70.262 68.868 0.384 0.000 1.116 43 T HN 1.726 nan 8.240 nan 0.000 0.464 44 G N 2.538 111.419 108.800 0.134 0.000 2.528 44 G HA2 0.649 4.610 3.960 0.001 0.000 0.289 44 G HA3 0.649 4.610 3.960 0.001 0.000 0.289 44 G C -0.503 174.466 174.900 0.116 0.000 1.192 44 G CA -0.703 44.448 45.100 0.085 0.000 0.921 44 G HN 0.829 nan 8.290 nan 0.000 0.512 45 I N 0.730 121.306 120.570 0.010 0.000 2.371 45 I HA 0.199 4.369 4.170 0.001 0.000 0.282 45 I C -0.060 175.983 176.117 -0.125 0.000 1.031 45 I CA -0.446 60.810 61.300 -0.073 0.000 1.180 45 I CB 1.132 38.913 38.000 -0.366 0.000 1.336 45 I HN 0.338 nan 8.210 nan 0.000 0.467 46 C N 6.091 125.356 119.300 -0.059 0.000 2.350 46 C HA 0.329 4.790 4.460 0.001 0.000 0.348 46 C C 2.035 177.017 174.990 -0.014 0.000 1.260 46 C CA -0.584 58.419 59.018 -0.025 0.000 1.966 46 C CB 1.038 28.793 27.740 0.026 0.000 2.380 46 C HN 0.952 nan 8.230 nan 0.000 0.535 47 R N 2.674 123.137 120.500 -0.063 0.000 2.185 47 R HA -0.112 4.228 4.340 0.001 0.000 0.247 47 R C 1.790 177.882 176.300 -0.347 0.000 1.159 47 R CA 2.759 58.774 56.100 -0.140 0.000 0.988 47 R CB -0.924 29.305 30.300 -0.119 0.000 0.871 47 R HN 0.914 nan 8.270 nan 0.000 0.458 48 T N 0.891 115.313 114.554 -0.220 0.000 2.746 48 T HA -0.116 4.234 4.350 0.001 0.000 0.267 48 T C 0.985 175.716 174.700 0.051 0.000 1.039 48 T CA 1.606 63.582 62.100 -0.206 0.000 1.142 48 T CB -0.335 68.524 68.868 -0.015 0.000 0.866 48 T HN 0.415 nan 8.240 nan 0.000 0.444 49 D N 1.017 121.558 120.400 0.235 0.000 2.221 49 D HA -0.133 4.508 4.640 0.001 0.000 0.204 49 D C 1.741 178.230 176.300 0.314 0.000 0.982 49 D CA 1.109 55.279 54.000 0.285 0.000 0.857 49 D CB -0.293 40.825 40.800 0.529 0.000 0.934 49 D HN 0.396 nan 8.370 nan 0.000 0.475 50 D N -0.253 120.348 120.400 0.335 0.000 2.234 50 D HA -0.091 4.550 4.640 0.001 0.000 0.205 50 D C 1.827 178.275 176.300 0.246 0.000 0.962 50 D CA 0.751 54.965 54.000 0.356 0.000 0.855 50 D CB 0.054 41.055 40.800 0.334 0.000 0.951 50 D HN 0.365 nan 8.370 nan 0.000 0.500 51 H N -1.133 118.030 119.070 0.154 0.000 2.387 51 H HA -0.075 4.482 4.556 0.001 0.000 0.299 51 H C 2.135 177.511 175.328 0.079 0.000 1.090 51 H CA 0.942 57.054 56.048 0.107 0.000 1.332 51 H CB 0.300 30.125 29.762 0.104 0.000 1.386 51 H HN 0.038 nan 8.280 nan 0.000 0.516 52 V N 1.196 121.210 119.914 0.167 0.000 2.287 52 V HA -0.267 3.853 4.120 0.001 0.000 0.248 52 V C 2.381 178.528 176.094 0.089 0.000 1.053 52 V CA 1.770 64.109 62.300 0.064 0.000 1.027 52 V CB -0.479 31.241 31.823 -0.172 0.000 0.646 52 V HN 0.371 nan 8.190 nan 0.000 0.447 53 I N -0.272 120.309 120.570 0.019 0.000 2.099 53 I HA -0.236 3.935 4.170 0.001 0.000 0.239 53 I C 2.509 178.633 176.117 0.012 0.000 1.066 53 I CA 1.541 62.811 61.300 -0.051 0.000 1.324 53 I CB -0.520 37.393 38.000 -0.145 0.000 1.037 53 I HN 0.220 nan 8.210 nan 0.000 0.401 54 K N 0.874 121.315 120.400 0.068 0.000 2.442 54 K HA -0.056 4.264 4.320 0.001 0.000 0.198 54 K C 1.408 178.048 176.600 0.065 0.000 1.044 54 K CA 1.043 57.373 56.287 0.071 0.000 0.948 54 K CB -0.513 32.057 32.500 0.116 0.000 0.762 54 K HN 0.618 nan 8.250 nan 0.000 0.472 55 G N 1.632 110.487 108.800 0.090 0.000 2.143 55 G HA2 -0.278 3.683 3.960 0.001 0.000 0.249 55 G HA3 -0.278 3.683 3.960 0.001 0.000 0.249 55 G C 0.667 175.612 174.900 0.076 0.000 0.981 55 G CA 0.887 46.044 45.100 0.096 0.000 0.665 55 G HN 0.383 nan 8.290 nan 0.000 0.528 56 T N -2.563 112.030 114.554 0.065 0.000 3.244 56 T HA 0.637 4.987 4.350 0.001 0.000 0.254 56 T C 0.429 175.132 174.700 0.006 0.000 1.024 56 T CA 0.688 62.791 62.100 0.005 0.000 0.920 56 T CB 0.250 69.076 68.868 -0.071 0.000 1.042 56 T HN 0.923 nan 8.240 nan 0.000 0.572 57 M N 2.259 121.905 119.600 0.077 0.000 2.255 57 M HA 0.431 4.911 4.480 0.001 0.000 0.275 57 M C -0.951 175.406 176.300 0.096 0.000 1.050 57 M CA -0.997 54.361 55.300 0.098 0.000 0.978 57 M CB 2.125 34.836 32.600 0.185 0.000 1.761 57 M HN 0.090 nan 8.290 nan 0.000 0.479 58 V N 1.863 121.817 119.914 0.066 0.000 2.673 58 V HA 0.686 4.807 4.120 0.001 0.000 0.303 58 V C -0.155 175.947 176.094 0.013 0.000 1.046 58 V CA 0.251 62.578 62.300 0.045 0.000 1.126 58 V CB 0.935 32.771 31.823 0.023 0.000 0.934 58 V HN 0.887 nan 8.190 nan 0.000 0.487 59 S N 2.819 118.478 115.700 -0.067 0.000 2.552 59 S HA 0.499 4.969 4.470 0.001 0.000 0.272 59 S C -0.764 173.604 174.600 -0.387 0.000 1.150 59 S CA -1.003 57.049 58.200 -0.247 0.000 0.849 59 S CB 1.747 64.686 63.200 -0.436 0.000 1.113 59 S HN 0.943 nan 8.310 nan 0.000 0.458 60 K N 1.289 121.442 120.400 -0.411 0.000 2.090 60 K HA 0.629 4.949 4.320 0.001 0.000 0.250 60 K C -1.240 175.121 176.600 -0.400 0.000 1.004 60 K CA -0.279 55.818 56.287 -0.317 0.000 0.919 60 K CB 0.658 32.817 32.500 -0.568 0.000 1.045 60 K HN 0.452 nan 8.250 nan 0.000 0.471 61 F N 0.910 120.946 119.950 0.143 0.000 2.588 61 F HA 0.356 4.884 4.527 0.001 0.000 0.314 61 F C -1.869 174.061 175.800 0.216 0.000 1.069 61 F CA -1.979 56.115 58.000 0.157 0.000 0.931 61 F CB 1.561 40.616 39.000 0.091 0.000 1.260 61 F HN 0.403 nan 8.300 nan 0.000 0.465 62 P HA 0.363 nan 4.420 nan 0.000 0.274 62 P C -1.346 176.001 177.300 0.077 0.000 1.246 62 P CA -0.307 62.909 63.100 0.192 0.000 0.795 62 P CB 2.271 33.840 31.700 -0.219 0.000 1.006 63 V N 1.021 120.927 119.914 -0.013 0.000 3.087 63 V HA 0.435 4.555 4.120 0.001 0.000 0.306 63 V C -1.080 174.973 176.094 -0.068 0.000 1.187 63 V CA -0.975 61.298 62.300 -0.045 0.000 0.999 63 V CB 2.206 33.918 31.823 -0.186 0.000 1.049 63 V HN 0.345 nan 8.190 nan 0.000 0.431 64 I N 6.331 126.889 120.570 -0.020 0.000 2.330 64 I HA 0.426 4.597 4.170 0.001 0.000 0.286 64 I C 0.484 176.619 176.117 0.031 0.000 1.025 64 I CA -0.534 60.758 61.300 -0.013 0.000 1.197 64 I CB 1.554 39.446 38.000 -0.181 0.000 1.358 64 I HN 0.662 nan 8.210 nan 0.000 0.467 65 V N 3.816 123.720 119.914 -0.016 0.000 3.894 65 V HA 0.886 5.006 4.120 0.001 0.000 0.268 65 V C 0.647 176.532 176.094 -0.348 0.000 0.956 65 V CA 0.050 62.212 62.300 -0.230 0.000 0.843 65 V CB 0.255 31.789 31.823 -0.481 0.000 1.198 65 V HN 0.984 nan 8.190 nan 0.000 0.393 66 G N 0.224 108.627 108.800 -0.663 0.000 3.019 66 G HA2 0.026 3.986 3.960 0.001 0.000 0.686 66 G HA3 0.026 3.986 3.960 0.001 0.000 0.686 66 G C -0.180 174.578 174.900 -0.236 0.000 1.056 66 G CA 0.449 44.784 45.100 -1.275 0.000 0.774 66 G HN 2.423 nan 8.290 nan 0.000 0.583 67 H N -0.158 118.815 119.070 -0.162 0.000 3.935 67 H HA 0.237 4.793 4.556 0.001 0.000 0.261 67 H C 0.356 175.703 175.328 0.032 0.000 1.102 67 H CA 0.452 56.482 56.048 -0.029 0.000 1.176 67 H CB 0.614 30.329 29.762 -0.079 0.000 1.434 67 H HN 0.603 nan 8.280 nan 0.000 0.778 68 E N 1.798 121.783 120.200 -0.359 0.000 2.001 68 E HA 0.591 4.941 4.350 0.001 0.000 0.279 68 E C -0.894 175.705 176.600 -0.002 0.000 1.045 68 E CA -0.309 56.027 56.400 -0.106 0.000 0.833 68 E CB 0.508 30.106 29.700 -0.170 0.000 1.077 68 E HN 0.518 nan 8.360 nan 0.000 0.397 69 A N 3.258 126.103 122.820 0.042 0.000 2.599 69 A HA 0.657 4.977 4.320 0.001 0.000 0.290 69 A C -0.935 176.669 177.584 0.035 0.000 1.101 69 A CA -0.776 51.287 52.037 0.045 0.000 0.674 69 A CB 2.041 21.060 19.000 0.032 0.000 1.277 69 A HN 0.436 nan 8.150 nan 0.000 0.419 70 T N -0.203 114.363 114.554 0.020 0.000 2.893 70 T HA 0.825 5.175 4.350 0.001 0.000 0.291 70 T C 0.120 174.801 174.700 -0.031 0.000 1.028 70 T CA 0.021 62.127 62.100 0.009 0.000 0.995 70 T CB 1.900 70.781 68.868 0.021 0.000 1.051 70 T HN 1.749 nan 8.240 nan 0.000 0.470 71 G N 0.813 109.591 108.800 -0.037 0.000 2.749 71 G HA2 0.693 4.654 3.960 0.001 0.000 0.300 71 G HA3 0.693 4.654 3.960 0.001 0.000 0.300 71 G C -2.004 172.863 174.900 -0.054 0.000 1.352 71 G CA -0.640 44.413 45.100 -0.079 0.000 0.789 71 G HN 0.613 nan 8.290 nan 0.000 0.509 72 I N 0.647 121.173 120.570 -0.073 0.000 2.545 72 I HA 0.314 4.485 4.170 0.001 0.000 0.292 72 I C 0.000 176.102 176.117 -0.025 0.000 1.040 72 I CA -0.801 60.477 61.300 -0.038 0.000 1.068 72 I CB 1.852 39.831 38.000 -0.036 0.000 1.251 72 I HN 0.167 nan 8.210 nan 0.000 0.424 73 V N 6.020 125.934 119.914 0.000 0.000 2.403 73 V HA 0.015 4.135 4.120 0.001 0.000 0.265 73 V C 1.587 177.706 176.094 0.042 0.000 1.034 73 V CA 0.099 62.411 62.300 0.020 0.000 1.036 73 V CB 0.259 32.093 31.823 0.018 0.000 1.032 73 V HN 0.814 nan 8.190 nan 0.000 0.478 74 E N 3.871 124.118 120.200 0.079 0.000 2.028 74 E HA -0.093 4.257 4.350 0.001 0.000 0.191 74 E C 0.831 177.473 176.600 0.071 0.000 0.988 74 E CA 1.489 57.962 56.400 0.121 0.000 0.799 74 E CB 0.429 30.287 29.700 0.262 0.000 0.755 74 E HN 0.813 nan 8.360 nan 0.000 0.447 75 S N -0.527 115.208 115.700 0.058 0.000 2.570 75 S HA 0.544 5.015 4.470 0.001 0.000 0.270 75 S C -0.246 174.370 174.600 0.026 0.000 1.149 75 S CA -0.949 57.270 58.200 0.032 0.000 0.837 75 S CB 1.187 64.399 63.200 0.020 0.000 1.124 75 S HN 0.272 nan 8.310 nan 0.000 0.465 76 I N -0.203 120.376 120.570 0.016 0.000 2.493 76 I HA 0.899 5.069 4.170 0.001 0.000 0.298 76 I C 0.522 176.642 176.117 0.005 0.000 0.998 76 I CA -0.965 60.342 61.300 0.011 0.000 1.137 76 I CB 1.271 39.276 38.000 0.008 0.000 1.310 76 I HN 0.833 nan 8.210 nan 0.000 0.445 77 G N 3.015 111.816 108.800 0.002 0.000 2.580 77 G HA2 0.146 4.106 3.960 0.001 0.000 0.278 77 G HA3 0.146 4.106 3.960 0.001 0.000 0.278 77 G C -0.446 174.451 174.900 -0.004 0.000 1.212 77 G CA -0.514 44.584 45.100 -0.003 0.000 0.939 77 G HN 0.824 nan 8.290 nan 0.000 0.513 78 E N -0.255 119.942 120.200 -0.006 0.000 2.452 78 E HA 0.215 4.565 4.350 0.001 0.000 0.261 78 E C 1.373 177.969 176.600 -0.006 0.000 0.987 78 E CA 1.272 57.669 56.400 -0.006 0.000 0.926 78 E CB 0.428 30.123 29.700 -0.007 0.000 0.934 78 E HN 1.089 nan 8.360 nan 0.000 0.452 79 G N 3.066 111.863 108.800 -0.005 0.000 2.205 79 G HA2 -0.290 3.671 3.960 0.001 0.000 0.261 79 G HA3 -0.290 3.671 3.960 0.001 0.000 0.261 79 G C 0.401 175.298 174.900 -0.005 0.000 0.980 79 G CA 0.277 45.374 45.100 -0.005 0.000 0.632 79 G HN 0.514 nan 8.290 nan 0.000 0.533 80 V N 1.454 121.365 119.914 -0.004 0.000 2.740 80 V HA 0.452 4.572 4.120 0.001 0.000 0.303 80 V C 1.629 177.723 176.094 -0.001 0.000 1.054 80 V CA 1.667 63.965 62.300 -0.003 0.000 1.106 80 V CB 1.397 33.219 31.823 -0.001 0.000 0.957 80 V HN 0.936 nan 8.190 nan 0.000 0.486 81 T N -1.943 112.610 114.554 -0.001 0.000 3.080 81 T HA -0.016 4.334 4.350 0.001 0.000 0.280 81 T C 1.173 175.874 174.700 0.002 0.000 0.926 81 T CA 0.460 62.560 62.100 0.000 0.000 0.883 81 T CB 0.156 69.024 68.868 -0.001 0.000 1.194 81 T HN 0.711 nan 8.240 nan 0.000 0.541 82 T N 0.749 115.304 114.554 0.002 0.000 3.037 82 T HA 0.454 4.805 4.350 0.001 0.000 0.251 82 T C 0.617 175.320 174.700 0.006 0.000 1.079 82 T CA 0.484 62.587 62.100 0.004 0.000 1.067 82 T CB -0.191 68.678 68.868 0.003 0.000 0.948 82 T HN 0.660 nan 8.240 nan 0.000 0.496 83 V N -1.073 118.844 119.914 0.006 0.000 3.130 83 V HA 0.866 4.986 4.120 0.001 0.000 0.310 83 V C -1.415 174.684 176.094 0.008 0.000 1.158 83 V CA -1.567 60.738 62.300 0.008 0.000 1.029 83 V CB 2.337 34.165 31.823 0.009 0.000 1.057 83 V HN 0.571 nan 8.190 nan 0.000 0.436 84 K N 0.626 121.032 120.400 0.010 0.000 2.512 84 K HA 0.754 5.074 4.320 0.001 0.000 0.263 84 K C -3.312 173.296 176.600 0.013 0.000 0.966 84 K CA -2.071 54.222 56.287 0.010 0.000 0.851 84 K CB 2.116 34.621 32.500 0.009 0.000 1.395 84 K HN 0.430 nan 8.250 nan 0.000 0.440 85 P HA -0.001 nan 4.420 nan 0.000 0.262 85 P C 0.502 177.812 177.300 0.017 0.000 1.182 85 P CA 1.589 64.701 63.100 0.019 0.000 0.761 85 P CB 0.651 32.363 31.700 0.019 0.000 0.795 86 G N 2.309 111.119 108.800 0.018 0.000 2.313 86 G HA2 -0.189 3.772 3.960 0.001 0.000 0.215 86 G HA3 -0.189 3.772 3.960 0.001 0.000 0.215 86 G C 0.019 174.925 174.900 0.010 0.000 1.023 86 G CA -0.367 44.742 45.100 0.014 0.000 0.626 86 G HN 0.501 nan 8.290 nan 0.000 0.503 87 D N 1.532 121.938 120.400 0.011 0.000 2.472 87 D HA 0.357 4.997 4.640 0.001 0.000 0.237 87 D C 0.657 176.961 176.300 0.008 0.000 1.141 87 D CA 0.505 54.511 54.000 0.010 0.000 0.875 87 D CB 0.993 41.800 40.800 0.011 0.000 1.192 87 D HN 0.558 nan 8.370 nan 0.000 0.450 88 K N 1.146 121.552 120.400 0.010 0.000 2.174 88 K HA 0.454 4.775 4.320 0.001 0.000 0.275 88 K C -0.716 175.892 176.600 0.013 0.000 1.015 88 K CA -0.626 55.666 56.287 0.009 0.000 0.933 88 K CB 0.713 33.221 32.500 0.015 0.000 1.025 88 K HN 0.283 nan 8.250 nan 0.000 0.463 89 V N 1.130 121.049 119.914 0.009 0.000 3.120 89 V HA 0.546 4.666 4.120 0.001 0.000 0.303 89 V C -0.918 175.185 176.094 0.016 0.000 1.238 89 V CA -1.062 61.246 62.300 0.014 0.000 1.008 89 V CB 1.576 33.404 31.823 0.009 0.000 1.064 89 V HN 0.713 nan 8.190 nan 0.000 0.434 90 I N 4.169 124.755 120.570 0.027 0.000 2.362 90 I HA 0.481 4.651 4.170 0.001 0.000 0.289 90 I C -2.358 173.772 176.117 0.021 0.000 0.994 90 I CA -2.074 59.246 61.300 0.034 0.000 1.158 90 I CB 2.700 40.737 38.000 0.061 0.000 1.315 90 I HN 0.553 nan 8.210 nan 0.000 0.451 91 P HA 0.183 nan 4.420 nan 0.000 0.275 91 P C -1.106 176.190 177.300 -0.006 0.000 1.227 91 P CA -0.165 62.943 63.100 0.013 0.000 0.781 91 P CB 1.041 32.758 31.700 0.029 0.000 0.906 92 L N 4.523 125.714 121.223 -0.052 0.000 2.294 92 L HA 0.342 4.682 4.340 0.001 0.000 0.283 92 L C 1.668 178.421 176.870 -0.194 0.000 1.015 92 L CA -0.784 53.950 54.840 -0.178 0.000 0.831 92 L CB 0.650 42.586 42.059 -0.204 0.000 1.217 92 L HN 0.375 nan 8.230 nan 0.000 0.420 93 F N 2.310 122.116 119.950 -0.241 0.000 2.451 93 F HA 0.067 4.594 4.527 0.000 0.000 0.299 93 F C 0.421 176.060 175.800 -0.268 0.000 1.101 93 F CA 0.258 58.103 58.000 -0.258 0.000 1.436 93 F CB 0.028 38.839 39.000 -0.314 0.000 1.074 93 F HN 0.286 nan 8.300 nan 0.000 0.553 94 L N 3.154 123.867 121.223 -0.850 0.000 2.301 94 L HA 0.572 4.913 4.340 0.001 0.000 0.278 94 L C -2.494 174.181 176.870 -0.325 0.000 1.022 94 L CA -2.438 52.049 54.840 -0.588 0.000 0.854 94 L CB 0.588 42.171 42.059 -0.795 0.000 1.226 94 L HN -0.198 nan 8.230 nan 0.000 0.429 95 P HA 0.138 nan 4.420 nan 0.000 0.275 95 P C -1.413 175.833 177.300 -0.090 0.000 1.270 95 P CA -0.315 62.712 63.100 -0.121 0.000 0.791 95 P CB 0.342 31.990 31.700 -0.087 0.000 1.089 96 Q N -0.042 119.721 119.800 -0.061 0.000 3.825 96 Q HA 0.156 4.496 4.340 0.001 0.000 0.218 96 Q C 0.447 176.429 176.000 -0.030 0.000 0.882 96 Q CA -0.222 55.557 55.803 -0.039 0.000 0.766 96 Q CB -0.604 28.118 28.738 -0.026 0.000 1.497 96 Q HN 0.643 nan 8.270 nan 0.000 0.428 97 C N 0.893 120.175 119.300 -0.031 0.000 2.409 97 C HA 0.054 4.514 4.460 0.001 0.000 0.284 97 C C 1.276 176.255 174.990 -0.019 0.000 1.354 97 C CA 0.900 59.903 59.018 -0.025 0.000 1.787 97 C CB -0.783 26.941 27.740 -0.027 0.000 1.900 97 C HN 1.037 nan 8.230 nan 0.000 0.520 98 R N -0.283 120.207 120.500 -0.017 0.000 3.922 98 R HA -0.172 4.168 4.340 0.001 0.000 0.447 98 R C 0.931 177.224 176.300 -0.012 0.000 1.035 98 R CA 1.545 57.638 56.100 -0.012 0.000 1.289 98 R CB -1.803 28.492 30.300 -0.009 0.000 1.906 98 R HN 0.667 nan 8.270 nan 0.000 0.540 99 E N 0.221 120.412 120.200 -0.014 0.000 2.244 99 E HA 0.034 4.384 4.350 0.001 0.000 0.196 99 E C 1.380 177.972 176.600 -0.013 0.000 0.939 99 E CA 0.949 57.341 56.400 -0.013 0.000 0.884 99 E CB 0.102 29.793 29.700 -0.014 0.000 0.850 99 E HN 0.517 nan 8.360 nan 0.000 0.481 100 C N 1.750 121.041 119.300 -0.016 0.000 2.639 100 C HA 0.260 4.721 4.460 0.001 0.000 0.360 100 C C 1.818 176.800 174.990 -0.014 0.000 1.351 100 C CA -0.814 58.195 59.018 -0.016 0.000 2.408 100 C CB 0.343 28.071 27.740 -0.019 0.000 2.517 100 C HN 0.158 nan 8.230 nan 0.000 0.696 101 N N 1.348 120.040 118.700 -0.013 0.000 2.025 101 N HA -0.108 4.632 4.740 0.001 0.000 0.194 101 N C 2.045 177.548 175.510 -0.011 0.000 1.044 101 N CA 2.298 55.341 53.050 -0.011 0.000 0.851 101 N CB -1.133 37.348 38.487 -0.011 0.000 1.036 101 N HN 0.927 nan 8.380 nan 0.000 0.422 102 A N 0.327 123.139 122.820 -0.013 0.000 2.024 102 A HA -0.145 4.175 4.320 0.001 0.000 0.220 102 A C 2.581 180.158 177.584 -0.012 0.000 1.164 102 A CA 1.273 53.303 52.037 -0.013 0.000 0.643 102 A CB -0.939 18.052 19.000 -0.015 0.000 0.806 102 A HN 0.459 nan 8.150 nan 0.000 0.451 103 C N -1.518 117.773 119.300 -0.014 0.000 2.475 103 C HA 0.065 4.526 4.460 0.001 0.000 0.279 103 C C 2.713 177.698 174.990 -0.009 0.000 1.322 103 C CA 0.782 59.792 59.018 -0.012 0.000 1.734 103 C CB -1.086 26.645 27.740 -0.015 0.000 2.005 103 C HN 0.611 nan 8.230 nan 0.000 0.495 104 R N 0.585 121.080 120.500 -0.009 0.000 2.275 104 R HA 0.042 4.383 4.340 0.001 0.000 0.199 104 R C 0.589 176.886 176.300 -0.006 0.000 0.989 104 R CA 0.183 56.279 56.100 -0.007 0.000 1.016 104 R CB -0.149 30.147 30.300 -0.007 0.000 0.918 104 R HN 0.438 nan 8.270 nan 0.000 0.473 105 N N 1.656 120.352 118.700 -0.007 0.000 2.414 105 N HA 0.056 4.797 4.740 0.001 0.000 0.256 105 N C -1.846 173.660 175.510 -0.006 0.000 1.029 105 N CA -1.811 51.235 53.050 -0.006 0.000 0.948 105 N CB 1.503 39.986 38.487 -0.006 0.000 1.102 105 N HN -0.093 nan 8.380 nan 0.000 0.496 106 P HA -0.094 nan 4.420 nan 0.000 0.224 106 P C -0.119 177.177 177.300 -0.007 0.000 1.142 106 P CA 1.185 64.282 63.100 -0.005 0.000 0.778 106 P CB 0.505 32.203 31.700 -0.004 0.000 0.764 107 D N -0.816 119.580 120.400 -0.006 0.000 2.398 107 D HA 0.151 4.791 4.640 0.001 0.000 0.210 107 D C 1.227 177.523 176.300 -0.008 0.000 1.094 107 D CA 0.233 54.228 54.000 -0.007 0.000 0.839 107 D CB 0.754 41.550 40.800 -0.005 0.000 0.963 107 D HN 0.153 nan 8.370 nan 0.000 0.506 108 G N 0.980 109.775 108.800 -0.007 0.000 2.489 108 G HA2 0.362 4.322 3.960 0.001 0.000 0.327 108 G HA3 0.362 4.322 3.960 0.001 0.000 0.327 108 G C 0.545 175.441 174.900 -0.006 0.000 1.189 108 G CA -0.446 44.650 45.100 -0.007 0.000 0.962 108 G HN 0.043 nan 8.290 nan 0.000 0.486 109 N N -0.648 118.049 118.700 -0.004 0.000 1.893 109 N HA -0.019 4.721 4.740 0.001 0.000 0.232 109 N C -0.059 175.447 175.510 -0.007 0.000 1.392 109 N CA -0.263 52.787 53.050 0.000 0.000 0.801 109 N CB 0.059 38.555 38.487 0.014 0.000 1.084 109 N HN 0.337 nan 8.380 nan 0.000 0.479 110 L N 3.130 124.347 121.223 -0.009 0.000 2.448 110 L HA 0.289 4.630 4.340 0.001 0.000 0.278 110 L C 0.288 177.142 176.870 -0.026 0.000 1.201 110 L CA -0.646 54.183 54.840 -0.017 0.000 1.036 110 L CB -0.819 41.233 42.059 -0.012 0.000 1.325 110 L HN 0.356 nan 8.230 nan 0.000 0.441 111 C N 4.496 123.774 119.300 -0.036 0.000 2.703 111 C HA 0.087 4.548 4.460 0.001 0.000 0.411 111 C C 2.358 177.325 174.990 -0.038 0.000 1.290 111 C CA -0.351 58.645 59.018 -0.037 0.000 2.054 111 C CB -0.274 27.437 27.740 -0.047 0.000 2.732 111 C HN 0.906 nan 8.230 nan 0.000 0.650 112 I N 1.991 122.541 120.570 -0.033 0.000 2.423 112 I HA -0.131 4.039 4.170 0.001 0.000 0.254 112 I C 2.255 178.348 176.117 -0.040 0.000 1.151 112 I CA 1.491 62.771 61.300 -0.033 0.000 1.421 112 I CB -0.697 37.285 38.000 -0.029 0.000 1.079 112 I HN 0.689 nan 8.210 nan 0.000 0.431 113 R N 1.382 121.855 120.500 -0.045 0.000 2.339 113 R HA 0.134 4.475 4.340 0.001 0.000 0.199 113 R C 0.654 176.918 176.300 -0.059 0.000 1.018 113 R CA 0.026 56.095 56.100 -0.052 0.000 1.036 113 R CB -0.248 30.020 30.300 -0.053 0.000 0.899 113 R HN 0.333 nan 8.270 nan 0.000 0.473 114 S N 1.254 116.919 115.700 -0.058 0.000 2.560 114 S HA -0.042 4.428 4.470 0.001 0.000 0.284 114 S C -0.067 174.497 174.600 -0.059 0.000 1.327 114 S CA -0.120 58.045 58.200 -0.060 0.000 1.055 114 S CB 0.789 63.959 63.200 -0.049 0.000 0.868 114 S HN 0.105 nan 8.310 nan 0.000 0.506 115 D N 2.349 122.707 120.400 -0.070 0.000 2.454 115 D HA 0.436 5.077 4.640 0.001 0.000 0.225 115 D C -0.072 176.168 176.300 -0.101 0.000 1.081 115 D CA -0.570 53.379 54.000 -0.086 0.000 0.864 115 D CB 0.012 40.751 40.800 -0.102 0.000 1.040 115 D HN 0.475 nan 8.370 nan 0.000 0.517 119 G N 2.468 111.238 108.800 -0.049 0.000 2.171 119 G HA2 -0.285 3.675 3.960 0.001 0.000 0.238 119 G HA3 -0.285 3.675 3.960 0.001 0.000 0.238 119 G C 0.901 175.752 174.900 -0.081 0.000 1.039 119 G CA 0.289 45.361 45.100 -0.046 0.000 0.759 119 G HN 0.574 nan 8.290 nan 0.000 0.501 120 R N 0.489 120.945 120.500 -0.075 0.000 2.105 120 R HA 0.046 4.386 4.340 0.001 0.000 0.239 120 R C 2.226 178.466 176.300 -0.100 0.000 1.135 120 R CA 1.134 57.183 56.100 -0.084 0.000 0.967 120 R CB -0.395 29.866 30.300 -0.065 0.000 0.861 120 R HN 1.561 nan 8.270 nan 0.000 0.442 121 G N 1.279 110.054 108.800 -0.042 0.000 2.283 121 G HA2 -0.268 3.693 3.960 0.001 0.000 0.280 121 G HA3 -0.268 3.693 3.960 0.001 0.000 0.280 121 G C 0.147 175.134 174.900 0.145 0.000 1.029 121 G CA 0.625 45.764 45.100 0.065 0.000 0.840 121 G HN 0.411 nan 8.290 nan 0.000 0.505 122 V N -4.231 115.676 119.914 -0.012 0.000 3.202 122 V HA 0.854 4.975 4.120 0.001 0.000 0.306 122 V C 0.654 176.597 176.094 -0.251 0.000 1.283 122 V CA -1.636 60.579 62.300 -0.141 0.000 1.065 122 V CB 1.703 33.493 31.823 -0.055 0.000 1.079 122 V HN 0.216 nan 8.190 nan 0.000 0.448 123 L N 0.667 121.689 121.223 -0.335 0.000 2.567 123 L HA 0.597 4.937 4.340 0.001 0.000 0.238 123 L C 2.194 178.977 176.870 -0.145 0.000 1.168 123 L CA -0.089 54.596 54.840 -0.257 0.000 0.817 123 L CB 0.896 42.786 42.059 -0.282 0.000 1.409 123 L HN 0.964 nan 8.230 nan 0.000 0.502 124 A N 0.252 123.005 122.820 -0.110 0.000 2.076 124 A HA -0.187 4.134 4.320 0.001 0.000 0.220 124 A C 1.366 178.910 177.584 -0.067 0.000 1.160 124 A CA 1.775 53.765 52.037 -0.077 0.000 0.653 124 A CB -0.662 18.300 19.000 -0.063 0.000 0.801 124 A HN 0.871 nan 8.150 nan 0.000 0.455 125 D N -2.564 117.791 120.400 -0.074 0.000 2.340 125 D HA 0.288 4.929 4.640 0.001 0.000 0.217 125 D C 1.115 177.383 176.300 -0.054 0.000 1.081 125 D CA 0.767 54.733 54.000 -0.057 0.000 0.842 125 D CB -0.534 40.235 40.800 -0.051 0.000 0.934 125 D HN 0.698 nan 8.370 nan 0.000 0.511 126 G N 0.129 108.889 108.800 -0.066 0.000 2.179 126 G HA2 -0.270 3.690 3.960 0.001 0.000 0.260 126 G HA3 -0.270 3.690 3.960 0.001 0.000 0.260 126 G C 0.486 175.359 174.900 -0.045 0.000 0.977 126 G CA 0.748 45.817 45.100 -0.051 0.000 0.641 126 G HN 0.828 nan 8.290 nan 0.000 0.533 127 T N -1.344 113.167 114.554 -0.072 0.000 2.948 127 T HA 0.759 5.109 4.350 0.001 0.000 0.285 127 T C 0.350 174.975 174.700 -0.125 0.000 1.019 127 T CA 0.447 62.509 62.100 -0.063 0.000 1.013 127 T CB 2.042 70.879 68.868 -0.051 0.000 1.117 127 T HN 1.073 nan 8.240 nan 0.000 0.533 128 T N -0.457 114.054 114.554 -0.072 0.000 2.927 128 T HA 0.572 4.922 4.350 0.001 0.000 0.281 128 T C 0.544 175.228 174.700 -0.028 0.000 0.998 128 T CA -1.171 60.901 62.100 -0.047 0.000 1.019 128 T CB 1.313 70.193 68.868 0.021 0.000 1.061 128 T HN 0.552 nan 8.240 nan 0.000 0.518 129 R N -0.210 120.298 120.500 0.014 0.000 2.508 129 R HA 0.327 4.668 4.340 0.001 0.000 0.300 129 R C -0.771 175.419 176.300 -0.183 0.000 0.970 129 R CA -0.114 55.891 56.100 -0.159 0.000 1.102 129 R CB 0.096 30.257 30.300 -0.233 0.000 1.246 129 R HN 0.669 nan 8.270 nan 0.000 0.539 130 F N 0.180 120.159 119.950 0.048 0.000 2.522 130 F HA 0.474 5.001 4.527 0.001 0.000 0.324 130 F C 0.384 176.175 175.800 -0.016 0.000 1.077 130 F CA -0.969 57.017 58.000 -0.022 0.000 0.944 130 F CB 2.328 41.272 39.000 -0.094 0.000 1.175 130 F HN -0.322 nan 8.300 nan 0.000 0.468 131 T N 0.829 115.506 114.554 0.205 0.000 2.909 131 T HA 0.467 4.817 4.350 0.001 0.000 0.299 131 T C -1.769 172.997 174.700 0.109 0.000 1.073 131 T CA -0.746 61.428 62.100 0.123 0.000 0.999 131 T CB 1.763 70.689 68.868 0.097 0.000 1.098 131 T HN 0.794 nan 8.240 nan 0.000 0.477 132 C N 3.475 122.849 119.300 0.125 0.000 2.817 132 C HA 0.562 5.023 4.460 0.001 0.000 0.385 132 C C -0.287 174.851 174.990 0.246 0.000 1.050 132 C CA -0.589 58.531 59.018 0.170 0.000 1.245 132 C CB -0.871 26.951 27.740 0.138 0.000 1.706 132 C HN 1.057 nan 8.230 nan 0.000 0.488 133 K N 4.324 124.837 120.400 0.188 0.000 3.117 133 K HA -0.175 4.146 4.320 0.001 0.000 0.269 133 K C 1.107 177.778 176.600 0.119 0.000 1.098 133 K CA 1.177 57.553 56.287 0.149 0.000 0.785 133 K CB -1.580 31.017 32.500 0.162 0.000 1.242 133 K HN 2.061 nan 8.250 nan 0.000 0.491 134 G N -0.569 108.292 108.800 0.103 0.000 2.245 134 G HA2 -0.348 3.612 3.960 0.001 0.000 0.264 134 G HA3 -0.348 3.612 3.960 0.001 0.000 0.264 134 G C -0.033 174.920 174.900 0.089 0.000 0.985 134 G CA 0.937 46.086 45.100 0.081 0.000 0.625 134 G HN 0.163 nan 8.290 nan 0.000 0.536 135 K N 1.530 122.003 120.400 0.123 0.000 2.159 135 K HA 0.508 4.828 4.320 0.001 0.000 0.266 135 K C -2.317 174.342 176.600 0.098 0.000 0.975 135 K CA -2.472 53.888 56.287 0.122 0.000 0.865 135 K CB 1.779 34.384 32.500 0.174 0.000 1.087 135 K HN 0.183 nan 8.250 nan 0.000 0.446 136 P HA 0.072 nan 4.420 nan 0.000 0.268 136 P C -0.419 176.835 177.300 -0.078 0.000 1.205 136 P CA -0.259 62.836 63.100 -0.009 0.000 0.771 136 P CB 0.697 32.368 31.700 -0.048 0.000 0.858 137 V N 4.035 123.918 119.914 -0.053 0.000 2.555 137 V HA 0.245 4.365 4.120 0.001 0.000 0.302 137 V C 0.441 176.524 176.094 -0.019 0.000 1.038 137 V CA -0.725 61.538 62.300 -0.061 0.000 0.887 137 V CB 1.304 33.121 31.823 -0.009 0.000 0.991 137 V HN 0.594 nan 8.190 nan 0.000 0.434 138 H N 3.346 122.518 119.070 0.169 0.000 2.525 138 H HA 0.401 4.957 4.556 0.001 0.000 0.339 138 H C 0.105 175.614 175.328 0.303 0.000 1.109 138 H CA -0.130 56.048 56.048 0.216 0.000 1.352 138 H CB 0.754 30.566 29.762 0.083 0.000 1.461 138 H HN 0.663 nan 8.280 nan 0.000 0.533 139 H N 1.496 120.741 119.070 0.293 0.000 2.597 139 H HA 0.089 4.645 4.556 0.001 0.000 0.370 139 H C -0.465 175.035 175.328 0.287 0.000 1.281 139 H CA 0.033 56.251 56.048 0.283 0.000 1.422 139 H CB 1.161 30.998 29.762 0.125 0.000 1.524 139 H HN 0.430 nan 8.280 nan 0.000 0.607 140 F N 0.725 120.786 119.950 0.186 0.000 2.547 140 F HA 0.180 4.707 4.527 0.001 0.000 0.316 140 F C 0.013 175.840 175.800 0.046 0.000 1.121 140 F CA -0.981 57.055 58.000 0.060 0.000 0.911 140 F CB 0.945 39.954 39.000 0.014 0.000 1.179 140 F HN 0.568 nan 8.300 nan 0.000 0.443 141 M N 6.585 125.837 119.600 -0.581 0.000 2.107 141 M HA -0.389 4.091 4.480 0.001 0.000 0.190 141 M C 0.424 176.639 176.300 -0.141 0.000 0.436 141 M CA 0.751 55.761 55.300 -0.483 0.000 0.393 141 M CB -1.359 30.731 32.600 -0.850 0.000 1.003 141 M HN 0.802 nan 8.290 nan 0.000 0.939 142 N N -1.813 116.862 118.700 -0.042 0.000 2.732 142 N HA -0.217 4.523 4.740 0.001 0.000 0.250 142 N C 0.722 176.277 175.510 0.076 0.000 1.097 142 N CA 1.816 54.874 53.050 0.013 0.000 0.812 142 N CB -0.876 37.593 38.487 -0.030 0.000 1.148 142 N HN 0.905 nan 8.380 nan 0.000 0.572 143 T N -6.091 108.536 114.554 0.121 0.000 3.413 143 T HA 0.293 4.643 4.350 0.001 0.000 0.187 143 T C 0.102 174.918 174.700 0.193 0.000 0.961 143 T CA 0.772 62.959 62.100 0.145 0.000 1.085 143 T CB 0.652 69.604 68.868 0.139 0.000 1.345 143 T HN 0.198 nan 8.240 nan 0.000 0.326 144 S N 1.454 117.278 115.700 0.206 0.000 3.530 144 S HA -0.055 4.415 4.470 0.001 0.000 0.618 144 S C 0.559 175.212 174.600 0.089 0.000 0.591 144 S CA 0.564 58.874 58.200 0.182 0.000 1.420 144 S CB -1.371 61.994 63.200 0.275 0.000 0.954 144 S HN 1.301 nan 8.310 nan 0.000 0.956 145 T N -1.296 113.259 114.554 0.001 0.000 3.004 145 T HA 0.329 4.680 4.350 0.001 0.000 0.266 145 T C 0.437 175.234 174.700 0.162 0.000 0.986 145 T CA -0.231 61.872 62.100 0.004 0.000 0.902 145 T CB -0.044 68.824 68.868 0.000 0.000 1.118 145 T HN 0.549 nan 8.240 nan 0.000 0.522 146 F N 3.007 123.025 119.950 0.114 0.000 2.859 146 F HA 0.383 4.911 4.527 0.001 0.000 0.315 146 F C 0.983 176.843 175.800 0.101 0.000 1.207 146 F CA -0.479 57.666 58.000 0.240 0.000 1.370 146 F CB -0.018 39.127 39.000 0.242 0.000 1.314 146 F HN 0.197 nan 8.300 nan 0.000 0.555 147 T N -1.490 113.087 114.554 0.039 0.000 2.868 147 T HA 0.164 4.514 4.350 0.001 0.000 0.306 147 T C 0.739 175.184 174.700 -0.425 0.000 1.224 147 T CA -0.476 61.536 62.100 -0.147 0.000 1.012 147 T CB 1.780 70.516 68.868 -0.221 0.000 1.221 147 T HN 0.312 nan 8.240 nan 0.000 0.499 148 E N 0.714 120.729 120.200 -0.308 0.000 2.152 148 E HA 0.048 4.399 4.350 0.001 0.000 0.192 148 E C -0.534 175.693 176.600 -0.621 0.000 0.983 148 E CA 1.029 57.112 56.400 -0.529 0.000 0.818 148 E CB 0.226 29.879 29.700 -0.079 0.000 0.758 148 E HN 0.524 nan 8.360 nan 0.000 0.467 149 Y N -1.281 118.896 120.300 -0.205 0.000 2.524 149 Y HA 0.396 4.946 4.550 0.001 0.000 0.347 149 Y C 0.017 175.930 175.900 0.022 0.000 1.005 149 Y CA -0.706 57.338 58.100 -0.093 0.000 1.025 149 Y CB 2.561 41.005 38.460 -0.026 0.000 1.275 149 Y HN -0.306 nan 8.280 nan 0.000 0.460 150 T N 1.192 115.880 114.554 0.225 0.000 2.843 150 T HA 0.756 5.106 4.350 0.001 0.000 0.302 150 T C -2.077 172.730 174.700 0.179 0.000 1.232 150 T CA -0.549 61.727 62.100 0.294 0.000 1.009 150 T CB 1.248 70.242 68.868 0.209 0.000 1.254 150 T HN 0.344 nan 8.240 nan 0.000 0.504 151 V N 3.275 123.253 119.914 0.107 0.000 2.531 151 V HA 0.773 4.893 4.120 0.001 0.000 0.301 151 V C -0.037 176.107 176.094 0.083 0.000 1.034 151 V CA -0.676 61.661 62.300 0.062 0.000 0.865 151 V CB 1.300 33.129 31.823 0.009 0.000 0.995 151 V HN 0.879 nan 8.190 nan 0.000 0.424 152 V N 0.338 120.283 119.914 0.052 0.000 3.074 152 V HA 0.715 4.836 4.120 0.001 0.000 0.314 152 V C -0.568 175.524 176.094 -0.002 0.000 1.117 152 V CA -0.811 61.510 62.300 0.035 0.000 1.014 152 V CB 2.302 34.146 31.823 0.036 0.000 1.057 152 V HN 0.705 nan 8.190 nan 0.000 0.438 153 D N 1.258 121.645 120.400 -0.022 0.000 2.339 153 D HA 0.149 4.789 4.640 0.001 0.000 0.245 153 D C 0.917 177.204 176.300 -0.022 0.000 1.115 153 D CA 0.341 54.322 54.000 -0.032 0.000 0.917 153 D CB 2.027 42.800 40.800 -0.045 0.000 1.192 153 D HN 0.943 nan 8.370 nan 0.000 0.428 154 E N 0.735 120.923 120.200 -0.020 0.000 2.171 154 E HA -0.208 4.143 4.350 0.001 0.000 0.197 154 E C 1.497 178.085 176.600 -0.020 0.000 0.997 154 E CA 1.236 57.627 56.400 -0.015 0.000 0.810 154 E CB 0.179 29.871 29.700 -0.013 0.000 0.738 154 E HN 0.422 nan 8.360 nan 0.000 0.467 155 S N -0.638 115.046 115.700 -0.027 0.000 2.500 155 S HA -0.035 4.435 4.470 0.001 0.000 0.239 155 S C 1.463 176.037 174.600 -0.044 0.000 0.989 155 S CA 0.799 58.979 58.200 -0.033 0.000 0.951 155 S CB 0.253 63.430 63.200 -0.038 0.000 0.759 155 S HN 0.013 nan 8.310 nan 0.000 0.523 156 S N 0.919 116.594 115.700 -0.041 0.000 2.581 156 S HA 0.480 4.950 4.470 0.001 0.000 0.245 156 S C -0.541 174.040 174.600 -0.033 0.000 1.115 156 S CA -0.523 57.647 58.200 -0.051 0.000 1.093 156 S CB 0.492 63.663 63.200 -0.050 0.000 0.853 156 S HN 0.302 nan 8.310 nan 0.000 0.479 157 V N 1.688 121.589 119.914 -0.022 0.000 2.577 157 V HA 0.745 4.865 4.120 0.001 0.000 0.303 157 V C -0.387 175.706 176.094 -0.002 0.000 1.042 157 V CA -0.956 61.339 62.300 -0.008 0.000 0.872 157 V CB 1.580 33.403 31.823 -0.001 0.000 0.998 157 V HN 0.332 nan 8.190 nan 0.000 0.423 158 A N 4.097 126.922 122.820 0.008 0.000 2.277 158 A HA 0.579 4.900 4.320 0.001 0.000 0.318 158 A C -0.054 177.546 177.584 0.027 0.000 1.339 158 A CA -0.616 51.434 52.037 0.022 0.000 0.875 158 A CB 0.436 19.460 19.000 0.039 0.000 1.158 158 A HN 0.846 nan 8.150 nan 0.000 0.514 159 K N 4.192 124.606 120.400 0.024 0.000 2.402 159 K HA 0.361 4.682 4.320 0.001 0.000 0.285 159 K C -0.125 176.494 176.600 0.032 0.000 1.054 159 K CA -0.037 56.265 56.287 0.024 0.000 1.001 159 K CB -0.036 32.476 32.500 0.019 0.000 0.946 159 K HN 0.724 nan 8.250 nan 0.000 0.473 160 I N -0.514 120.077 120.570 0.035 0.000 3.100 160 I HA 0.392 4.563 4.170 0.001 0.000 0.312 160 I C -0.004 176.136 176.117 0.038 0.000 1.063 160 I CA -1.206 60.121 61.300 0.045 0.000 1.031 160 I CB 1.134 39.169 38.000 0.058 0.000 1.243 160 I HN 0.488 nan 8.210 nan 0.000 0.483 161 D N 1.796 122.222 120.400 0.043 0.000 2.443 161 D HA -0.054 4.586 4.640 0.001 0.000 0.239 161 D C 0.479 176.796 176.300 0.028 0.000 1.136 161 D CA 0.333 54.352 54.000 0.032 0.000 0.879 161 D CB 1.050 41.869 40.800 0.032 0.000 1.195 161 D HN 0.561 nan 8.370 nan 0.000 0.443 162 D N 2.788 123.200 120.400 0.019 0.000 2.178 162 D HA -0.125 4.516 4.640 0.001 0.000 0.202 162 D C 1.241 177.549 176.300 0.014 0.000 0.974 162 D CA 0.789 54.798 54.000 0.015 0.000 0.841 162 D CB 0.115 40.921 40.800 0.010 0.000 0.953 162 D HN 0.474 nan 8.370 nan 0.000 0.478 163 A N 0.696 123.521 122.820 0.010 0.000 2.252 163 A HA 0.331 4.651 4.320 0.001 0.000 0.207 163 A C 1.022 178.615 177.584 0.015 0.000 1.194 163 A CA 0.096 52.135 52.037 0.003 0.000 0.809 163 A CB -0.225 18.767 19.000 -0.013 0.000 0.814 163 A HN 0.146 nan 8.150 nan 0.000 0.482 164 A N 1.905 124.747 122.820 0.037 0.000 2.404 164 A HA 0.539 4.860 4.320 0.001 0.000 0.273 164 A C -2.427 175.202 177.584 0.075 0.000 1.144 164 A CA -1.531 50.551 52.037 0.075 0.000 0.806 164 A CB -0.068 18.986 19.000 0.091 0.000 1.080 164 A HN 0.257 nan 8.150 nan 0.000 0.509 165 P HA 0.162 nan 4.420 nan 0.000 0.269 165 P C -2.293 175.051 177.300 0.073 0.000 1.252 165 P CA -1.226 61.923 63.100 0.083 0.000 0.780 165 P CB 0.811 32.574 31.700 0.104 0.000 0.829 166 P HA -0.206 nan 4.420 nan 0.000 0.216 166 P C 1.404 178.728 177.300 0.039 0.000 1.153 166 P CA 1.645 64.769 63.100 0.040 0.000 0.858 166 P CB -0.106 31.613 31.700 0.033 0.000 0.789 167 E N -0.084 120.142 120.200 0.043 0.000 2.516 167 E HA -0.116 4.235 4.350 0.001 0.000 0.199 167 E C 0.987 177.599 176.600 0.021 0.000 1.069 167 E CA 0.974 57.399 56.400 0.040 0.000 0.876 167 E CB -0.371 29.354 29.700 0.042 0.000 0.843 167 E HN 0.301 nan 8.360 nan 0.000 0.530 168 K N 0.551 120.955 120.400 0.007 0.000 2.354 168 K HA 0.076 4.396 4.320 0.001 0.000 0.210 168 K C 2.134 178.627 176.600 -0.178 0.000 1.184 168 K CA 0.998 57.248 56.287 -0.061 0.000 0.880 168 K CB -0.267 32.246 32.500 0.021 0.000 1.328 168 K HN 0.108 nan 8.250 nan 0.000 0.466 169 V N 1.308 121.139 119.914 -0.138 0.000 3.444 169 V HA -0.114 4.006 4.120 0.001 0.000 0.271 169 V C 2.319 178.397 176.094 -0.025 0.000 1.188 169 V CA 0.944 63.160 62.300 -0.139 0.000 1.168 169 V CB -1.961 29.849 31.823 -0.021 0.000 0.810 169 V HN 0.403 nan 8.190 nan 0.000 0.500 170 C N -1.050 118.248 119.300 -0.004 0.000 2.446 170 C HA 0.151 4.611 4.460 0.001 0.000 0.279 170 C C 2.310 177.339 174.990 0.065 0.000 1.366 170 C CA 0.104 59.146 59.018 0.040 0.000 1.763 170 C CB -1.601 26.166 27.740 0.046 0.000 1.929 170 C HN 0.548 nan 8.230 nan 0.000 0.509 171 L N 0.760 122.008 121.223 0.043 0.000 2.362 171 L HA 0.030 4.370 4.340 0.001 0.000 0.219 171 L C 2.413 179.405 176.870 0.203 0.000 1.134 171 L CA 1.170 56.072 54.840 0.103 0.000 0.807 171 L CB -0.468 41.629 42.059 0.064 0.000 0.927 171 L HN 0.343 nan 8.230 nan 0.000 0.447 172 I N -0.114 120.560 120.570 0.174 0.000 3.444 172 I HA -0.089 4.081 4.170 0.001 0.000 0.287 172 I C 2.136 178.451 176.117 0.330 0.000 1.302 172 I CA 0.594 62.051 61.300 0.262 0.000 1.368 172 I CB -0.283 37.837 38.000 0.200 0.000 1.048 172 I HN 0.202 nan 8.210 nan 0.000 0.487 173 G N -0.875 108.091 108.800 0.277 0.000 2.777 173 G HA2 -0.026 3.934 3.960 0.001 0.000 0.211 173 G HA3 -0.026 3.934 3.960 0.001 0.000 0.211 173 G C 0.772 175.914 174.900 0.404 0.000 1.149 173 G CA 0.700 45.963 45.100 0.272 0.000 0.785 173 G HN 0.496 nan 8.290 nan 0.000 0.536 174 C N -2.624 116.972 119.300 0.493 0.000 3.427 174 C HA 0.446 4.906 4.460 0.001 0.000 0.116 174 C C 2.771 178.019 174.990 0.429 0.000 2.712 174 C CA 1.578 60.962 59.018 0.611 0.000 0.807 174 C CB -0.439 27.584 27.740 0.471 0.000 1.572 174 C HN 0.476 nan 8.230 nan 0.000 0.637 175 G N 1.079 110.040 108.800 0.267 0.000 2.783 175 G HA2 -0.381 3.580 3.960 0.001 0.000 0.225 175 G HA3 -0.381 3.580 3.960 0.001 0.000 0.225 175 G C 1.335 176.325 174.900 0.151 0.000 1.191 175 G CA 2.038 47.248 45.100 0.185 0.000 0.774 175 G HN 0.835 nan 8.290 nan 0.000 0.632 176 F N 1.529 121.514 119.950 0.058 0.000 2.098 176 F HA -0.008 4.519 4.527 0.001 0.000 0.294 176 F C 3.041 178.810 175.800 -0.052 0.000 1.107 176 F CA 1.949 59.935 58.000 -0.025 0.000 1.234 176 F CB -0.211 38.730 39.000 -0.097 0.000 1.002 176 F HN 0.170 nan 8.300 nan 0.000 0.472 177 S N -0.142 115.385 115.700 -0.289 0.000 2.383 177 S HA -0.198 4.272 4.470 0.001 0.000 0.229 177 S C 1.862 176.177 174.600 -0.475 0.000 1.030 177 S CA 1.740 59.651 58.200 -0.482 0.000 1.002 177 S CB -0.653 62.311 63.200 -0.393 0.000 0.829 177 S HN 0.496 nan 8.310 nan 0.000 0.467 178 T N 1.503 115.939 114.554 -0.196 0.000 2.639 178 T HA -0.042 4.308 4.350 0.001 0.000 0.261 178 T C 2.125 176.750 174.700 -0.125 0.000 1.053 178 T CA 1.410 63.469 62.100 -0.069 0.000 1.158 178 T CB -1.015 67.959 68.868 0.176 0.000 0.863 178 T HN 0.528 nan 8.240 nan 0.000 0.413 179 G N -0.321 108.408 108.800 -0.118 0.000 2.422 179 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 179 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 179 G C 1.430 176.184 174.900 -0.244 0.000 1.146 179 G CA 0.786 45.804 45.100 -0.136 0.000 0.769 179 G HN 0.508 nan 8.290 nan 0.000 0.547 180 Y N 1.713 121.684 120.300 -0.549 0.000 2.133 180 Y HA 0.027 4.577 4.550 0.001 0.000 0.287 180 Y C 2.830 178.476 175.900 -0.424 0.000 1.134 180 Y CA 1.683 59.418 58.100 -0.609 0.000 1.133 180 Y CB -0.590 37.180 38.460 -1.149 0.000 0.987 180 Y HN 0.117 nan 8.280 nan 0.000 0.502 181 G N -0.331 108.260 108.800 -0.348 0.000 2.432 181 G HA2 -0.244 3.716 3.960 0.001 0.000 0.219 181 G HA3 -0.244 3.716 3.960 0.001 0.000 0.219 181 G C 1.798 176.558 174.900 -0.233 0.000 1.135 181 G CA 0.833 45.747 45.100 -0.310 0.000 0.767 181 G HN 0.606 nan 8.290 nan 0.000 0.550 182 A N 0.801 123.518 122.820 -0.172 0.000 1.978 182 A HA 0.243 4.564 4.320 0.001 0.000 0.220 182 A C 2.671 180.290 177.584 0.058 0.000 1.170 182 A CA 2.323 54.354 52.037 -0.010 0.000 0.636 182 A CB -0.439 18.601 19.000 0.066 0.000 0.810 182 A HN 0.704 nan 8.150 nan 0.000 0.448 183 A N -1.280 121.420 122.820 -0.199 0.000 1.901 183 A HA 0.256 4.576 4.320 0.001 0.000 0.210 183 A C 2.127 179.560 177.584 -0.252 0.000 1.208 183 A CA 1.204 53.101 52.037 -0.234 0.000 0.644 183 A CB -0.533 18.175 19.000 -0.487 0.000 0.863 183 A HN 0.301 nan 8.150 nan 0.000 0.454 184 V N -0.316 119.365 119.914 -0.389 0.000 2.488 184 V HA -0.091 4.029 4.120 0.001 0.000 0.246 184 V C 2.423 178.395 176.094 -0.203 0.000 1.046 184 V CA 2.340 64.436 62.300 -0.341 0.000 1.053 184 V CB -0.300 31.212 31.823 -0.518 0.000 0.679 184 V HN 0.448 nan 8.190 nan 0.000 0.458 185 K N -0.896 119.397 120.400 -0.179 0.000 2.240 185 K HA 0.086 4.407 4.320 0.001 0.000 0.202 185 K C 2.156 178.717 176.600 -0.065 0.000 1.053 185 K CA 1.063 57.284 56.287 -0.110 0.000 0.973 185 K CB -0.242 32.190 32.500 -0.113 0.000 0.924 185 K HN 0.368 nan 8.250 nan 0.000 0.477 186 T N -0.791 113.733 114.554 -0.049 0.000 2.735 186 T HA -0.013 4.338 4.350 0.001 0.000 0.256 186 T C 1.768 176.476 174.700 0.013 0.000 1.042 186 T CA 1.330 63.426 62.100 -0.006 0.000 1.147 186 T CB -0.486 68.392 68.868 0.017 0.000 0.865 186 T HN 0.364 nan 8.240 nan 0.000 0.421 187 G N 0.618 109.441 108.800 0.038 0.000 2.572 187 G HA2 -0.022 3.938 3.960 0.001 0.000 0.216 187 G HA3 -0.022 3.938 3.960 0.001 0.000 0.216 187 G C 0.414 175.288 174.900 -0.043 0.000 1.133 187 G CA 0.075 45.191 45.100 0.026 0.000 0.791 187 G HN 0.529 nan 8.290 nan 0.000 0.538 188 K N -0.500 119.852 120.400 -0.079 0.000 3.071 188 K HA -0.150 4.171 4.320 0.001 0.000 0.262 188 K C 0.047 176.537 176.600 -0.183 0.000 0.977 188 K CA -0.002 56.227 56.287 -0.096 0.000 0.721 188 K CB -1.899 30.589 32.500 -0.021 0.000 1.293 188 K HN 0.192 nan 8.250 nan 0.000 0.475 189 V N 1.757 121.434 119.914 -0.395 0.000 2.625 189 V HA -0.173 3.947 4.120 0.001 0.000 0.305 189 V C 1.056 177.020 176.094 -0.217 0.000 1.055 189 V CA 0.822 62.738 62.300 -0.639 0.000 1.209 189 V CB -0.057 31.470 31.823 -0.493 0.000 0.877 189 V HN 0.270 nan 8.190 nan 0.000 0.489 190 K N 5.630 126.014 120.400 -0.026 0.000 2.138 190 K HA 0.584 4.904 4.320 0.001 0.000 0.263 190 K C -2.912 173.728 176.600 0.068 0.000 0.965 190 K CA -2.239 54.084 56.287 0.060 0.000 0.868 190 K CB 1.052 33.628 32.500 0.125 0.000 1.083 190 K HN 0.269 nan 8.250 nan 0.000 0.443 191 P HA -0.109 nan 4.420 nan 0.000 0.259 191 P C 0.637 177.965 177.300 0.046 0.000 1.163 191 P CA 1.615 64.733 63.100 0.031 0.000 0.760 191 P CB 0.391 32.102 31.700 0.019 0.000 0.762 192 G N 1.910 110.739 108.800 0.049 0.000 2.234 192 G HA2 -0.251 3.709 3.960 0.001 0.000 0.235 192 G HA3 -0.251 3.709 3.960 0.001 0.000 0.235 192 G C 0.516 175.461 174.900 0.076 0.000 0.997 192 G CA 0.224 45.353 45.100 0.050 0.000 0.623 192 G HN 0.752 nan 8.290 nan 0.000 0.514 193 S N -0.320 115.455 115.700 0.125 0.000 2.617 193 S HA 0.580 5.051 4.470 0.001 0.000 0.255 193 S C 0.102 174.802 174.600 0.168 0.000 1.318 193 S CA 0.823 59.135 58.200 0.186 0.000 0.978 193 S CB 1.460 64.897 63.200 0.395 0.000 0.961 193 S HN 0.655 nan 8.310 nan 0.000 0.582 194 T N 0.969 115.638 114.554 0.192 0.000 2.815 194 T HA 0.533 4.883 4.350 0.001 0.000 0.289 194 T C -0.489 174.352 174.700 0.234 0.000 1.000 194 T CA -0.501 61.695 62.100 0.159 0.000 0.958 194 T CB 0.001 68.937 68.868 0.113 0.000 0.944 194 T HN 0.773 nan 8.240 nan 0.000 0.442 195 C N 2.914 122.352 119.300 0.229 0.000 2.470 195 C HA 0.909 5.370 4.460 0.001 0.000 0.341 195 C C -0.036 175.081 174.990 0.213 0.000 1.190 195 C CA -0.743 58.462 59.018 0.312 0.000 1.904 195 C CB 1.168 29.086 27.740 0.297 0.000 2.354 195 C HN 0.640 nan 8.230 nan 0.000 0.509 196 V N 1.752 121.837 119.914 0.284 0.000 2.686 196 V HA 0.548 4.669 4.120 0.001 0.000 0.306 196 V C -0.765 175.488 176.094 0.266 0.000 1.065 196 V CA -0.387 62.011 62.300 0.163 0.000 0.894 196 V CB 1.834 33.730 31.823 0.122 0.000 1.004 196 V HN 0.708 nan 8.190 nan 0.000 0.424 197 V N 4.490 124.456 119.914 0.088 0.000 2.409 197 V HA 0.507 4.627 4.120 0.001 0.000 0.291 197 V C -0.786 175.323 176.094 0.025 0.000 1.020 197 V CA -0.457 61.933 62.300 0.150 0.000 0.848 197 V CB 1.533 33.381 31.823 0.041 0.000 0.990 197 V HN 0.700 nan 8.190 nan 0.000 0.430 198 F N 3.396 123.433 119.950 0.146 0.000 2.335 198 F HA 0.703 5.230 4.527 0.001 0.000 0.365 198 F C 0.910 176.782 175.800 0.120 0.000 1.122 198 F CA 0.097 58.173 58.000 0.127 0.000 1.151 198 F CB 1.347 40.425 39.000 0.130 0.000 1.282 198 F HN 0.789 nan 8.300 nan 0.000 0.513 199 G N 3.836 112.758 108.800 0.203 0.000 3.326 199 G HA2 -0.052 3.908 3.960 0.001 0.000 0.681 199 G HA3 -0.052 3.908 3.960 0.001 0.000 0.681 199 G C -1.036 173.940 174.900 0.126 0.000 1.255 199 G CA -1.162 44.040 45.100 0.170 0.000 0.976 199 G HN 0.589 nan 8.290 nan 0.000 0.563 200 L N 2.782 124.080 121.223 0.124 0.000 3.030 200 L HA 0.537 4.878 4.340 0.001 0.000 0.252 200 L C 1.331 178.259 176.870 0.096 0.000 1.316 200 L CA 0.056 54.962 54.840 0.110 0.000 0.975 200 L CB 0.322 42.466 42.059 0.142 0.000 1.357 200 L HN 0.761 nan 8.230 nan 0.000 0.534 201 G N -0.556 108.294 108.800 0.084 0.000 2.782 201 G HA2 0.427 4.387 3.960 0.001 0.000 0.201 201 G HA3 0.427 4.387 3.960 0.001 0.000 0.201 201 G C 0.948 175.889 174.900 0.069 0.000 1.374 201 G CA 0.243 45.386 45.100 0.071 0.000 1.039 201 G HN 0.224 nan 8.290 nan 0.000 0.576 202 G N -0.847 107.991 108.800 0.063 0.000 2.459 202 G HA2 -0.165 3.795 3.960 0.001 0.000 0.217 202 G HA3 -0.165 3.795 3.960 0.001 0.000 0.217 202 G C 1.665 176.614 174.900 0.083 0.000 1.183 202 G CA 1.826 46.970 45.100 0.074 0.000 0.776 202 G HN 0.446 nan 8.290 nan 0.000 0.552 203 V N 1.541 121.499 119.914 0.073 0.000 2.307 203 V HA -0.020 4.100 4.120 0.001 0.000 0.245 203 V C 3.162 179.282 176.094 0.043 0.000 1.045 203 V CA 1.883 64.221 62.300 0.062 0.000 1.024 203 V CB -1.246 30.620 31.823 0.072 0.000 0.651 203 V HN 0.441 nan 8.190 nan 0.000 0.449 204 G N 0.094 108.929 108.800 0.058 0.000 2.440 204 G HA2 -0.226 3.734 3.960 0.001 0.000 0.218 204 G HA3 -0.226 3.734 3.960 0.001 0.000 0.218 204 G C 1.603 176.518 174.900 0.025 0.000 1.154 204 G CA 1.009 46.138 45.100 0.048 0.000 0.767 204 G HN 0.464 nan 8.290 nan 0.000 0.552 205 L N 0.890 122.144 121.223 0.052 0.000 2.131 205 L HA -0.068 4.273 4.340 0.001 0.000 0.210 205 L C 3.064 179.976 176.870 0.070 0.000 1.092 205 L CA 1.109 55.985 54.840 0.060 0.000 0.759 205 L CB -0.196 41.911 42.059 0.081 0.000 0.903 205 L HN 0.193 nan 8.230 nan 0.000 0.435 206 S N -0.887 114.858 115.700 0.075 0.000 2.428 206 S HA -0.086 4.385 4.470 0.001 0.000 0.230 206 S C 2.015 176.600 174.600 -0.026 0.000 1.014 206 S CA 0.613 58.865 58.200 0.087 0.000 0.957 206 S CB 0.008 63.225 63.200 0.029 0.000 0.784 206 S HN 0.147 nan 8.310 nan 0.000 0.499 207 V N 2.405 122.253 119.914 -0.111 0.000 2.307 207 V HA -0.140 3.980 4.120 0.001 0.000 0.245 207 V C 2.082 178.019 176.094 -0.263 0.000 1.045 207 V CA 1.492 63.623 62.300 -0.283 0.000 1.024 207 V CB -0.613 30.985 31.823 -0.374 0.000 0.651 207 V HN 0.459 nan 8.190 nan 0.000 0.449 208 I N -0.559 119.924 120.570 -0.145 0.000 2.264 208 I HA -0.342 3.829 4.170 0.001 0.000 0.248 208 I C 2.460 178.560 176.117 -0.029 0.000 1.111 208 I CA 1.836 63.081 61.300 -0.092 0.000 1.382 208 I CB -0.320 37.660 38.000 -0.033 0.000 1.060 208 I HN 0.311 nan 8.210 nan 0.000 0.418 209 M N 0.017 119.647 119.600 0.051 0.000 2.175 209 M HA -0.077 4.403 4.480 0.001 0.000 0.264 209 M C 2.391 178.790 176.300 0.165 0.000 1.063 209 M CA 1.836 57.231 55.300 0.158 0.000 1.119 209 M CB -0.769 32.004 32.600 0.288 0.000 1.377 209 M HN 0.343 nan 8.290 nan 0.000 0.415 210 G N -0.258 108.556 108.800 0.023 0.000 2.404 210 G HA2 -0.185 3.776 3.960 0.001 0.000 0.215 210 G HA3 -0.185 3.776 3.960 0.001 0.000 0.215 210 G C 1.526 176.256 174.900 -0.285 0.000 1.174 210 G CA 0.892 45.776 45.100 -0.360 0.000 0.780 210 G HN 0.445 nan 8.290 nan 0.000 0.537 211 C N 0.256 119.406 119.300 -0.249 0.000 2.413 211 C HA -0.003 4.457 4.460 0.001 0.000 0.276 211 C C 2.779 177.714 174.990 -0.091 0.000 1.236 211 C CA 1.342 60.245 59.018 -0.191 0.000 1.735 211 C CB -0.661 26.972 27.740 -0.178 0.000 2.031 211 C HN 0.615 nan 8.230 nan 0.000 0.474 212 K N 0.747 121.122 120.400 -0.041 0.000 2.057 212 K HA -0.169 4.152 4.320 0.001 0.000 0.207 212 K C 2.232 178.843 176.600 0.018 0.000 1.049 212 K CA 1.844 58.134 56.287 0.004 0.000 0.931 212 K CB -0.394 32.126 32.500 0.033 0.000 0.714 212 K HN 0.363 nan 8.250 nan 0.000 0.440 213 S N -0.422 115.300 115.700 0.036 0.000 2.399 213 S HA -0.104 4.367 4.470 0.001 0.000 0.231 213 S C 1.851 176.451 174.600 -0.000 0.000 1.022 213 S CA 1.175 59.415 58.200 0.066 0.000 0.983 213 S CB -0.308 62.992 63.200 0.168 0.000 0.803 213 S HN 0.514 nan 8.310 nan 0.000 0.480 214 A N -0.214 122.567 122.820 -0.066 0.000 1.968 214 A HA 0.418 4.738 4.320 0.001 0.000 0.217 214 A C 1.731 179.295 177.584 -0.033 0.000 1.169 214 A CA 1.311 53.301 52.037 -0.077 0.000 0.638 214 A CB -0.751 18.164 19.000 -0.142 0.000 0.812 214 A HN 1.305 nan 8.150 nan 0.000 0.446 215 G N -2.631 106.159 108.800 -0.018 0.000 2.173 215 G HA2 0.273 4.233 3.960 0.001 0.000 0.142 215 G HA3 0.273 4.233 3.960 0.001 0.000 0.142 215 G C 0.272 175.182 174.900 0.017 0.000 1.019 215 G CA 0.025 45.128 45.100 0.005 0.000 0.699 215 G HN 1.404 nan 8.290 nan 0.000 0.495 216 A N 0.525 123.353 122.820 0.013 0.000 2.546 216 A HA 0.605 4.925 4.320 0.001 0.000 0.243 216 A C 1.550 179.158 177.584 0.039 0.000 1.063 216 A CA 1.288 53.350 52.037 0.042 0.000 0.757 216 A CB 0.358 19.383 19.000 0.041 0.000 0.991 216 A HN 0.981 nan 8.150 nan 0.000 0.503 217 S N 1.025 116.754 115.700 0.049 0.000 2.461 217 S HA 0.066 4.537 4.470 0.001 0.000 0.228 217 S C 0.939 175.560 174.600 0.035 0.000 1.005 217 S CA 0.931 59.154 58.200 0.038 0.000 0.942 217 S CB -0.070 63.153 63.200 0.038 0.000 0.776 217 S HN 0.754 nan 8.310 nan 0.000 0.514 218 R N 0.499 121.026 120.500 0.045 0.000 2.522 218 R HA 0.500 4.840 4.340 0.001 0.000 0.283 218 R C -2.173 174.151 176.300 0.041 0.000 1.074 218 R CA -0.361 55.761 56.100 0.036 0.000 0.925 218 R CB 0.848 31.171 30.300 0.038 0.000 1.205 218 R HN 0.111 nan 8.270 nan 0.000 0.436 219 I N 6.561 127.141 120.570 0.016 0.000 2.448 219 I HA 0.352 4.523 4.170 0.001 0.000 0.281 219 I C -0.278 175.823 176.117 -0.027 0.000 1.027 219 I CA -0.635 60.669 61.300 0.006 0.000 1.111 219 I CB 1.786 39.781 38.000 -0.009 0.000 1.236 219 I HN 0.460 nan 8.210 nan 0.000 0.452 220 I N 5.226 125.777 120.570 -0.032 0.000 2.315 220 I HA 0.420 4.591 4.170 0.001 0.000 0.291 220 I C 0.853 176.890 176.117 -0.133 0.000 1.006 220 I CA -0.261 60.985 61.300 -0.090 0.000 1.265 220 I CB 1.412 39.361 38.000 -0.084 0.000 1.387 220 I HN 0.598 nan 8.210 nan 0.000 0.475 221 G N 7.112 115.800 108.800 -0.188 0.000 2.389 221 G HA2 0.764 4.724 3.960 0.001 0.000 0.317 221 G HA3 0.764 4.724 3.960 0.001 0.000 0.317 221 G C -0.719 174.017 174.900 -0.274 0.000 1.137 221 G CA -0.455 44.527 45.100 -0.195 0.000 0.870 221 G HN 0.515 nan 8.290 nan 0.000 0.496 222 I N 1.192 121.639 120.570 -0.204 0.000 2.569 222 I HA 0.444 4.615 4.170 0.001 0.000 0.290 222 I C -1.402 174.754 176.117 0.066 0.000 1.088 222 I CA -0.673 60.528 61.300 -0.164 0.000 1.047 222 I CB 2.637 40.380 38.000 -0.429 0.000 1.237 222 I HN 0.336 nan 8.210 nan 0.000 0.421 223 D N 4.425 124.975 120.400 0.250 0.000 2.706 223 D HA 0.279 4.920 4.640 0.001 0.000 0.227 223 D C 0.120 176.570 176.300 0.250 0.000 1.233 223 D CA -0.480 53.690 54.000 0.282 0.000 0.768 223 D CB 2.441 43.436 40.800 0.326 0.000 1.490 223 D HN 0.348 nan 8.370 nan 0.000 0.458 224 L N 1.170 122.483 121.223 0.149 0.000 2.109 224 L HA -0.006 4.334 4.340 0.001 0.000 0.207 224 L C 1.230 178.094 176.870 -0.010 0.000 1.086 224 L CA 0.662 55.555 54.840 0.088 0.000 0.760 224 L CB -0.139 41.973 42.059 0.088 0.000 0.910 224 L HN 0.245 nan 8.230 nan 0.000 0.437 225 N N 1.274 119.956 118.700 -0.030 0.000 2.508 225 N HA -0.013 4.727 4.740 0.001 0.000 0.253 225 N C 0.746 176.029 175.510 -0.378 0.000 1.145 225 N CA 0.305 53.280 53.050 -0.125 0.000 0.973 225 N CB 0.644 39.102 38.487 -0.047 0.000 1.305 225 N HN 0.131 nan 8.380 nan 0.000 0.506 226 K N 1.191 121.222 120.400 -0.615 0.000 2.360 226 K HA -0.108 4.212 4.320 0.001 0.000 0.201 226 K C 0.230 176.335 176.600 -0.824 0.000 1.046 226 K CA 0.804 56.288 56.287 -1.338 0.000 0.940 226 K CB 0.327 32.336 32.500 -0.818 0.000 0.748 226 K HN 0.464 nan 8.250 nan 0.000 0.465 227 D N 0.909 121.085 120.400 -0.373 0.000 2.350 227 D HA -0.093 4.548 4.640 0.001 0.000 0.216 227 D C 1.411 177.655 176.300 -0.092 0.000 0.968 227 D CA 0.854 54.750 54.000 -0.173 0.000 0.894 227 D CB 0.186 40.930 40.800 -0.093 0.000 0.909 227 D HN 0.082 nan 8.370 nan 0.000 0.520 228 K N -0.033 120.305 120.400 -0.104 0.000 2.418 228 K HA 0.016 4.337 4.320 0.001 0.000 0.195 228 K C 1.682 178.428 176.600 0.244 0.000 1.035 228 K CA -0.010 56.321 56.287 0.073 0.000 1.003 228 K CB -0.063 32.501 32.500 0.105 0.000 0.793 228 K HN 0.144 nan 8.250 nan 0.000 0.494 229 F N 2.052 122.013 119.950 0.018 0.000 2.095 229 F HA -0.157 4.370 4.527 0.001 0.000 0.298 229 F C 2.463 178.271 175.800 0.013 0.000 1.104 229 F CA 0.808 58.816 58.000 0.013 0.000 1.232 229 F CB -1.143 37.863 39.000 0.010 0.000 0.987 229 F HN 0.226 nan 8.300 nan 0.000 0.475 230 E N 0.452 120.779 120.200 0.212 0.000 2.086 230 E HA -0.294 4.056 4.350 0.001 0.000 0.200 230 E C 2.294 178.950 176.600 0.093 0.000 1.012 230 E CA 1.899 58.371 56.400 0.120 0.000 0.812 230 E CB -0.136 29.610 29.700 0.077 0.000 0.743 230 E HN 0.330 nan 8.360 nan 0.000 0.453 231 K N -0.502 119.954 120.400 0.093 0.000 2.167 231 K HA -0.039 4.282 4.320 0.001 0.000 0.203 231 K C 1.990 178.634 176.600 0.074 0.000 1.052 231 K CA 0.799 57.131 56.287 0.074 0.000 0.956 231 K CB -0.063 32.477 32.500 0.068 0.000 0.735 231 K HN 0.170 nan 8.250 nan 0.000 0.451 232 A N 0.935 123.810 122.820 0.093 0.000 1.902 232 A HA -0.204 4.116 4.320 0.001 0.000 0.217 232 A C 2.049 179.655 177.584 0.036 0.000 1.181 232 A CA 1.607 53.682 52.037 0.064 0.000 0.623 232 A CB -0.450 18.589 19.000 0.064 0.000 0.818 232 A HN 0.310 nan 8.150 nan 0.000 0.443 233 M N -0.174 119.449 119.600 0.038 0.000 2.086 233 M HA -0.040 4.441 4.480 0.001 0.000 0.261 233 M C 2.327 178.644 176.300 0.029 0.000 1.067 233 M CA 1.625 56.938 55.300 0.021 0.000 1.116 233 M CB -0.642 31.975 32.600 0.029 0.000 1.348 233 M HN 0.425 nan 8.290 nan 0.000 0.407 234 A N -1.387 121.456 122.820 0.039 0.000 1.883 234 A HA -0.158 4.163 4.320 0.001 0.000 0.217 234 A C 2.291 179.898 177.584 0.039 0.000 1.186 234 A CA 2.026 54.086 52.037 0.037 0.000 0.624 234 A CB -1.328 17.695 19.000 0.039 0.000 0.822 234 A HN 0.360 nan 8.150 nan 0.000 0.444 235 V N -1.539 118.402 119.914 0.045 0.000 2.970 235 V HA 0.252 4.372 4.120 0.001 0.000 0.260 235 V C 1.572 177.696 176.094 0.050 0.000 1.100 235 V CA 2.100 64.432 62.300 0.054 0.000 1.122 235 V CB 0.416 32.278 31.823 0.065 0.000 0.721 235 V HN 0.931 nan 8.190 nan 0.000 0.483 236 G N -1.737 107.084 108.800 0.034 0.000 3.827 236 G HA2 0.134 4.094 3.960 0.001 0.000 0.218 236 G HA3 0.134 4.094 3.960 0.001 0.000 0.218 236 G C 0.436 175.340 174.900 0.008 0.000 0.892 236 G CA 0.204 45.319 45.100 0.025 0.000 0.857 236 G HN 0.816 nan 8.290 nan 0.000 0.508 237 A N 0.782 123.601 122.820 -0.002 0.000 2.492 237 A HA 0.533 4.853 4.320 0.001 0.000 0.236 237 A C 1.622 179.194 177.584 -0.020 0.000 1.078 237 A CA 1.706 53.730 52.037 -0.022 0.000 0.773 237 A CB 0.265 19.239 19.000 -0.045 0.000 1.023 237 A HN 1.182 nan 8.150 nan 0.000 0.504 238 T N -2.286 112.250 114.554 -0.030 0.000 2.971 238 T HA 0.371 4.721 4.350 0.001 0.000 0.252 238 T C 0.138 174.813 174.700 -0.042 0.000 1.022 238 T CA 0.622 62.708 62.100 -0.024 0.000 0.980 238 T CB -0.342 68.519 68.868 -0.012 0.000 1.044 238 T HN 0.961 nan 8.240 nan 0.000 0.501 239 E N -0.771 119.383 120.200 -0.076 0.000 2.389 239 E HA 0.519 4.870 4.350 0.001 0.000 0.281 239 E C -1.886 174.587 176.600 -0.212 0.000 1.111 239 E CA -1.200 55.129 56.400 -0.118 0.000 0.869 239 E CB 0.626 30.272 29.700 -0.091 0.000 1.259 239 E HN 0.153 nan 8.360 nan 0.000 0.434 240 C N 1.075 120.164 119.300 -0.352 0.000 2.994 240 C HA 0.905 5.365 4.460 0.001 0.000 0.304 240 C C -0.472 174.106 174.990 -0.686 0.000 1.273 240 C CA -0.446 58.176 59.018 -0.660 0.000 1.537 240 C CB 0.922 27.938 27.740 -1.208 0.000 2.001 240 C HN 0.814 nan 8.230 nan 0.000 0.471 241 I N -0.972 119.220 120.570 -0.630 0.000 3.263 241 I HA 0.840 5.011 4.170 0.001 0.000 0.314 241 I C -0.876 175.249 176.117 0.013 0.000 1.269 241 I CA -0.220 60.933 61.300 -0.246 0.000 0.942 241 I CB 1.903 39.834 38.000 -0.115 0.000 1.305 241 I HN 0.554 nan 8.210 nan 0.000 0.474 242 S N 0.943 116.748 115.700 0.176 0.000 2.526 242 S HA 0.637 5.107 4.470 0.001 0.000 0.293 242 S C -2.268 172.402 174.600 0.117 0.000 1.092 242 S CA -1.497 56.836 58.200 0.222 0.000 0.980 242 S CB 1.843 65.201 63.200 0.263 0.000 1.048 242 S HN 0.572 nan 8.310 nan 0.000 0.483 243 P HA -0.007 nan 4.420 nan 0.000 0.219 243 P C 0.665 178.014 177.300 0.081 0.000 1.146 243 P CA 0.935 64.095 63.100 0.099 0.000 0.808 243 P CB 0.191 31.966 31.700 0.125 0.000 0.779 244 K N -0.803 119.645 120.400 0.081 0.000 2.296 244 K HA -0.043 4.278 4.320 0.001 0.000 0.200 244 K C 1.338 177.972 176.600 0.056 0.000 1.048 244 K CA 0.799 57.123 56.287 0.063 0.000 0.966 244 K CB -0.873 31.662 32.500 0.057 0.000 0.754 244 K HN 0.062 nan 8.250 nan 0.000 0.466 245 D N -0.307 120.132 120.400 0.065 0.000 2.265 245 D HA -0.080 4.560 4.640 0.001 0.000 0.208 245 D C 0.353 176.678 176.300 0.041 0.000 0.977 245 D CA 0.860 54.893 54.000 0.056 0.000 0.871 245 D CB 0.132 40.970 40.800 0.063 0.000 0.925 245 D HN 0.019 nan 8.370 nan 0.000 0.485 246 S N -2.071 113.652 115.700 0.039 0.000 2.588 246 S HA 0.334 4.804 4.470 0.001 0.000 0.275 246 S C 0.887 175.506 174.600 0.032 0.000 1.130 246 S CA -0.412 57.806 58.200 0.031 0.000 0.855 246 S CB 1.655 64.872 63.200 0.027 0.000 1.116 246 S HN 0.063 nan 8.310 nan 0.000 0.472 247 T N 0.331 114.901 114.554 0.026 0.000 3.035 247 T HA 0.156 4.506 4.350 0.001 0.000 0.259 247 T C 0.675 175.389 174.700 0.023 0.000 1.078 247 T CA 0.254 62.368 62.100 0.024 0.000 1.132 247 T CB -0.518 68.361 68.868 0.019 0.000 0.900 247 T HN 0.718 nan 8.240 nan 0.000 0.480 248 K N 2.275 122.688 120.400 0.021 0.000 2.382 248 K HA 0.340 4.660 4.320 0.001 0.000 0.275 248 K C -2.936 173.680 176.600 0.026 0.000 1.009 248 K CA -1.760 54.539 56.287 0.019 0.000 0.970 248 K CB -0.395 32.114 32.500 0.015 0.000 0.934 248 K HN -0.047 nan 8.250 nan 0.000 0.479 249 P HA -0.115 nan 4.420 nan 0.000 0.261 249 P C 0.574 177.900 177.300 0.045 0.000 1.173 249 P CA -0.083 63.037 63.100 0.033 0.000 0.760 249 P CB 0.272 31.983 31.700 0.019 0.000 0.783 250 I N 3.753 124.367 120.570 0.073 0.000 2.300 250 I HA -0.342 3.829 4.170 0.001 0.000 0.252 250 I C 1.783 177.957 176.117 0.094 0.000 1.119 250 I CA 2.091 63.451 61.300 0.100 0.000 1.384 250 I CB -0.580 37.530 38.000 0.185 0.000 1.062 250 I HN 0.346 nan 8.210 nan 0.000 0.426 251 S N -0.252 115.494 115.700 0.077 0.000 2.356 251 S HA -0.219 4.252 4.470 0.001 0.000 0.223 251 S C 1.875 176.485 174.600 0.017 0.000 1.032 251 S CA 1.403 59.630 58.200 0.046 0.000 1.005 251 S CB -0.808 62.394 63.200 0.002 0.000 0.867 251 S HN 0.611 nan 8.310 nan 0.000 0.449 252 E N 1.024 121.230 120.200 0.010 0.000 2.077 252 E HA -0.083 4.268 4.350 0.001 0.000 0.193 252 E C 2.208 178.813 176.600 0.007 0.000 0.989 252 E CA 1.224 57.624 56.400 0.000 0.000 0.800 252 E CB -0.472 29.229 29.700 0.001 0.000 0.746 252 E HN 0.332 nan 8.360 nan 0.000 0.452 253 V N 1.744 121.668 119.914 0.017 0.000 2.255 253 V HA -0.288 3.832 4.120 0.001 0.000 0.247 253 V C 2.377 178.477 176.094 0.010 0.000 1.051 253 V CA 1.670 63.979 62.300 0.014 0.000 1.018 253 V CB -0.496 31.338 31.823 0.018 0.000 0.641 253 V HN 0.276 nan 8.190 nan 0.000 0.445 254 L N -0.336 120.898 121.223 0.017 0.000 2.083 254 L HA -0.183 4.158 4.340 0.001 0.000 0.209 254 L C 2.717 179.595 176.870 0.014 0.000 1.083 254 L CA 1.777 56.626 54.840 0.015 0.000 0.752 254 L CB -0.667 41.414 42.059 0.038 0.000 0.899 254 L HN 0.375 nan 8.230 nan 0.000 0.433 255 S N -0.116 115.589 115.700 0.007 0.000 2.348 255 S HA -0.218 4.253 4.470 0.001 0.000 0.221 255 S C 1.843 176.448 174.600 0.009 0.000 1.033 255 S CA 1.617 59.817 58.200 -0.001 0.000 1.010 255 S CB -0.106 63.081 63.200 -0.021 0.000 0.891 255 S HN 0.449 nan 8.310 nan 0.000 0.442 256 E N 0.320 120.524 120.200 0.006 0.000 2.118 256 E HA -0.157 4.193 4.350 0.001 0.000 0.195 256 E C 2.162 178.768 176.600 0.011 0.000 0.992 256 E CA 1.449 57.855 56.400 0.009 0.000 0.804 256 E CB -0.231 29.473 29.700 0.006 0.000 0.741 256 E HN 0.572 nan 8.360 nan 0.000 0.458 257 M N 0.221 119.826 119.600 0.008 0.000 2.229 257 M HA -0.094 4.386 4.480 0.001 0.000 0.264 257 M C 2.201 178.509 176.300 0.014 0.000 1.063 257 M CA 1.645 56.948 55.300 0.006 0.000 1.114 257 M CB -0.085 32.513 32.600 -0.003 0.000 1.387 257 M HN 0.149 nan 8.290 nan 0.000 0.420 258 T N -3.627 110.940 114.554 0.022 0.000 3.040 258 T HA 0.369 4.719 4.350 0.001 0.000 0.250 258 T C 1.173 175.899 174.700 0.043 0.000 1.058 258 T CA 0.274 62.395 62.100 0.035 0.000 0.988 258 T CB 0.185 69.081 68.868 0.046 0.000 0.993 258 T HN 0.536 nan 8.240 nan 0.000 0.519 259 G N 2.707 111.529 108.800 0.036 0.000 2.353 259 G HA2 -0.292 3.668 3.960 0.001 0.000 0.294 259 G HA3 -0.292 3.668 3.960 0.001 0.000 0.294 259 G C 0.105 175.044 174.900 0.064 0.000 1.077 259 G CA 0.137 45.261 45.100 0.042 0.000 1.098 259 G HN 0.929 nan 8.290 nan 0.000 0.511 260 N N -1.016 117.717 118.700 0.055 0.000 2.705 260 N HA -0.222 4.518 4.740 0.001 0.000 0.255 260 N C 0.181 175.800 175.510 0.182 0.000 1.008 260 N CA 1.539 54.635 53.050 0.076 0.000 0.742 260 N CB -0.903 37.616 38.487 0.054 0.000 0.906 260 N HN 0.895 nan 8.380 nan 0.000 0.541 261 N N -0.112 118.672 118.700 0.141 0.000 2.622 261 N HA 0.197 4.938 4.740 0.001 0.000 0.304 261 N C -1.612 173.977 175.510 0.132 0.000 1.844 261 N CA -0.295 52.865 53.050 0.182 0.000 0.886 261 N CB 0.659 39.236 38.487 0.149 0.000 1.366 261 N HN 0.078 nan 8.380 nan 0.000 0.491 262 V N 0.923 120.886 119.914 0.082 0.000 2.353 262 V HA 0.382 4.503 4.120 0.001 0.000 0.264 262 V C 1.599 177.690 176.094 -0.006 0.000 1.049 262 V CA -0.121 62.211 62.300 0.054 0.000 0.896 262 V CB 0.755 32.601 31.823 0.037 0.000 1.025 262 V HN 0.467 nan 8.190 nan 0.000 0.475 263 G N 4.042 112.834 108.800 -0.013 0.000 2.396 263 G HA2 -0.051 3.909 3.960 0.001 0.000 0.214 263 G HA3 -0.051 3.909 3.960 0.001 0.000 0.214 263 G C 0.154 174.693 174.900 -0.603 0.000 1.166 263 G CA 0.555 45.483 45.100 -0.287 0.000 0.793 263 G HN 0.568 nan 8.290 nan 0.000 0.533 264 Y N 0.183 120.531 120.300 0.080 0.000 2.406 264 Y HA 0.522 5.072 4.550 0.001 0.000 0.340 264 Y C -0.049 175.876 175.900 0.040 0.000 0.975 264 Y CA -1.105 57.000 58.100 0.009 0.000 1.056 264 Y CB 2.101 40.620 38.460 0.099 0.000 1.210 264 Y HN 0.047 nan 8.280 nan 0.000 0.448 265 T N -0.614 113.961 114.554 0.034 0.000 2.885 265 T HA 0.810 5.161 4.350 0.001 0.000 0.285 265 T C -1.143 173.505 174.700 -0.087 0.000 1.019 265 T CA -0.813 61.386 62.100 0.164 0.000 1.010 265 T CB 1.313 70.285 68.868 0.173 0.000 1.022 265 T HN 0.333 nan 8.240 nan 0.000 0.466 266 F N 0.625 120.743 119.950 0.280 0.000 2.547 266 F HA 0.467 4.994 4.527 0.001 0.000 0.316 266 F C 0.264 176.219 175.800 0.259 0.000 1.121 266 F CA -0.955 57.171 58.000 0.210 0.000 0.911 266 F CB 2.215 41.303 39.000 0.148 0.000 1.179 266 F HN 0.535 nan 8.300 nan 0.000 0.443 267 E N 3.420 123.791 120.200 0.285 0.000 2.055 267 E HA 0.365 4.715 4.350 0.001 0.000 0.274 267 E C -1.072 175.656 176.600 0.214 0.000 0.949 267 E CA -0.223 56.302 56.400 0.209 0.000 0.775 267 E CB 1.511 31.250 29.700 0.066 0.000 1.097 267 E HN 0.486 nan 8.360 nan 0.000 0.404 268 V N 6.854 126.910 119.914 0.237 0.000 2.592 268 V HA 0.286 4.407 4.120 0.001 0.000 0.278 268 V C 0.761 176.935 176.094 0.133 0.000 1.087 268 V CA -0.093 62.309 62.300 0.170 0.000 1.282 268 V CB -0.508 31.411 31.823 0.160 0.000 1.543 268 V HN 0.607 nan 8.190 nan 0.000 0.606 269 I N 0.420 121.047 120.570 0.094 0.000 3.626 269 I HA 0.616 4.786 4.170 0.001 0.000 0.256 269 I C 1.474 177.538 176.117 -0.088 0.000 1.105 269 I CA 0.479 61.783 61.300 0.007 0.000 1.656 269 I CB 0.627 38.629 38.000 0.004 0.000 1.672 269 I HN 0.450 nan 8.210 nan 0.000 0.421 270 G N 1.787 110.512 108.800 -0.125 0.000 2.192 270 G HA2 -0.064 3.896 3.960 0.001 0.000 0.152 270 G HA3 -0.064 3.896 3.960 0.001 0.000 0.152 270 G C -0.517 174.288 174.900 -0.158 0.000 1.057 270 G CA -0.697 44.333 45.100 -0.116 0.000 0.748 270 G HN 0.321 nan 8.290 nan 0.000 0.488 271 H N 0.023 119.124 119.070 0.051 0.000 2.495 271 H HA 0.478 5.035 4.556 0.001 0.000 0.348 271 H C 1.576 176.921 175.328 0.028 0.000 1.113 271 H CA -0.658 55.412 56.048 0.037 0.000 1.195 271 H CB 1.824 31.617 29.762 0.052 0.000 1.521 271 H HN 0.041 nan 8.280 nan 0.000 0.509 272 L N 1.125 122.439 121.223 0.151 0.000 2.012 272 L HA -0.212 4.128 4.340 0.001 0.000 0.210 272 L C 1.840 178.768 176.870 0.097 0.000 1.073 272 L CA 1.422 56.320 54.840 0.096 0.000 0.748 272 L CB -0.156 41.947 42.059 0.073 0.000 0.891 272 L HN 0.542 nan 8.230 nan 0.000 0.431 273 E N 0.120 120.373 120.200 0.089 0.000 2.070 273 E HA -0.218 4.132 4.350 0.001 0.000 0.197 273 E C 2.135 178.761 176.600 0.044 0.000 1.004 273 E CA 2.164 58.598 56.400 0.057 0.000 0.805 273 E CB -0.675 29.040 29.700 0.025 0.000 0.744 273 E HN 0.561 nan 8.360 nan 0.000 0.451 274 T N -1.393 113.210 114.554 0.082 0.000 2.995 274 T HA -0.007 4.343 4.350 0.001 0.000 0.269 274 T C 1.867 176.492 174.700 -0.125 0.000 1.091 274 T CA 0.782 62.884 62.100 0.004 0.000 1.128 274 T CB -0.111 68.838 68.868 0.137 0.000 0.891 274 T HN 0.011 nan 8.240 nan 0.000 0.492 275 M N 0.397 119.995 119.600 -0.002 0.000 2.132 275 M HA 0.132 4.612 4.480 0.001 0.000 0.263 275 M C 2.152 178.461 176.300 0.016 0.000 1.065 275 M CA 1.523 56.855 55.300 0.054 0.000 1.122 275 M CB -0.407 32.281 32.600 0.147 0.000 1.365 275 M HN 0.223 nan 8.290 nan 0.000 0.411 276 I N -0.081 120.485 120.570 -0.007 0.000 2.252 276 I HA -0.305 3.865 4.170 0.001 0.000 0.245 276 I C 1.902 177.907 176.117 -0.187 0.000 1.102 276 I CA 1.109 62.353 61.300 -0.093 0.000 1.385 276 I CB -0.504 37.496 38.000 0.001 0.000 1.064 276 I HN 0.257 nan 8.210 nan 0.000 0.414 277 D N 1.056 121.348 120.400 -0.181 0.000 2.149 277 D HA -0.175 4.465 4.640 0.001 0.000 0.198 277 D C 2.238 178.295 176.300 -0.406 0.000 0.990 277 D CA 1.663 55.535 54.000 -0.214 0.000 0.839 277 D CB -0.017 40.695 40.800 -0.147 0.000 0.948 277 D HN 0.375 nan 8.370 nan 0.000 0.460 278 A N 0.729 123.148 122.820 -0.668 0.000 1.930 278 A HA -0.125 4.195 4.320 0.001 0.000 0.217 278 A C 2.149 179.522 177.584 -0.351 0.000 1.175 278 A CA 0.762 52.373 52.037 -0.708 0.000 0.627 278 A CB -0.552 18.077 19.000 -0.619 0.000 0.815 278 A HN 0.198 nan 8.150 nan 0.000 0.443 279 L N -0.048 120.922 121.223 -0.421 0.000 1.976 279 L HA -0.032 4.308 4.340 0.001 0.000 0.209 279 L C 2.640 179.286 176.870 -0.373 0.000 1.071 279 L CA 2.330 56.818 54.840 -0.587 0.000 0.746 279 L CB -0.860 40.568 42.059 -1.052 0.000 0.890 279 L HN 0.313 nan 8.230 nan 0.000 0.432 280 A N -1.877 120.771 122.820 -0.286 0.000 2.186 280 A HA -0.137 4.184 4.320 0.001 0.000 0.219 280 A C 2.271 179.779 177.584 -0.127 0.000 1.159 280 A CA 1.731 53.659 52.037 -0.182 0.000 0.680 280 A CB -0.667 18.259 19.000 -0.124 0.000 0.787 280 A HN 0.557 nan 8.150 nan 0.000 0.467 281 S N -1.072 114.571 115.700 -0.095 0.000 2.486 281 S HA 0.013 4.483 4.470 0.001 0.000 0.220 281 S C 1.061 175.644 174.600 -0.028 0.000 1.011 281 S CA 0.368 58.568 58.200 0.000 0.000 0.921 281 S CB -0.614 62.693 63.200 0.179 0.000 0.785 281 S HN 0.847 nan 8.310 nan 0.000 0.517 282 C N 1.912 121.159 119.300 -0.088 0.000 2.500 282 C HA 0.462 4.923 4.460 0.001 0.000 0.367 282 C C 0.728 175.614 174.990 -0.174 0.000 1.283 282 C CA -1.412 57.541 59.018 -0.109 0.000 2.456 282 C CB -0.594 27.062 27.740 -0.139 0.000 2.457 282 C HN 0.496 nan 8.230 nan 0.000 0.632 283 H N 2.873 121.743 119.070 -0.333 0.000 3.034 283 H HA -0.025 4.531 4.556 0.000 0.000 0.324 283 H C 1.388 176.477 175.328 -0.399 0.000 1.015 283 H CA 1.218 56.975 56.048 -0.485 0.000 1.429 283 H CB 0.694 29.813 29.762 -1.072 0.000 1.429 283 H HN 0.965 nan 8.280 nan 0.000 0.585 284 M N 2.904 122.135 119.600 -0.614 0.000 2.521 284 M HA -0.171 4.309 4.480 0.001 0.000 0.260 284 M C 0.762 176.976 176.300 -0.143 0.000 1.068 284 M CA 1.903 57.003 55.300 -0.335 0.000 1.060 284 M CB -0.044 32.356 32.600 -0.333 0.000 1.398 284 M HN 0.562 nan 8.290 nan 0.000 0.473 285 N N -0.055 118.665 118.700 0.034 0.000 2.486 285 N HA -0.012 4.729 4.740 0.001 0.000 0.242 285 N C 0.865 176.431 175.510 0.093 0.000 1.083 285 N CA 0.289 53.396 53.050 0.095 0.000 0.844 285 N CB 0.395 38.995 38.487 0.188 0.000 1.527 285 N HN 0.590 nan 8.380 nan 0.000 0.462 286 Y N 0.084 120.442 120.300 0.096 0.000 2.584 286 Y HA 0.606 5.156 4.550 0.000 0.000 0.254 286 Y C 0.611 176.441 175.900 -0.117 0.000 1.177 286 Y CA -0.959 57.093 58.100 -0.080 0.000 1.216 286 Y CB -0.393 37.951 38.460 -0.192 0.000 1.172 286 Y HN -0.143 nan 8.280 nan 0.000 0.529 287 G N 0.676 109.364 108.800 -0.187 0.000 2.476 287 G HA2 0.472 4.432 3.960 0.001 0.000 0.269 287 G HA3 0.472 4.432 3.960 0.001 0.000 0.269 287 G C -0.764 174.042 174.900 -0.157 0.000 1.195 287 G CA -0.378 44.599 45.100 -0.205 0.000 0.843 287 G HN 0.204 nan 8.290 nan 0.000 0.545 288 T N 0.023 114.463 114.554 -0.190 0.000 2.824 288 T HA 0.535 4.885 4.350 0.001 0.000 0.282 288 T C -0.328 174.318 174.700 -0.090 0.000 0.993 288 T CA -0.373 61.681 62.100 -0.076 0.000 0.967 288 T CB 1.639 70.537 68.868 0.050 0.000 0.960 288 T HN 0.488 nan 8.240 nan 0.000 0.441 289 S N 2.526 118.190 115.700 -0.060 0.000 2.596 289 S HA 0.592 5.062 4.470 0.001 0.000 0.318 289 S C -0.553 174.072 174.600 0.041 0.000 1.097 289 S CA -0.581 57.575 58.200 -0.072 0.000 1.080 289 S CB 0.380 63.497 63.200 -0.138 0.000 0.991 289 S HN 0.487 nan 8.310 nan 0.000 0.471 290 V N 5.517 125.326 119.914 -0.174 0.000 2.427 290 V HA 0.479 4.599 4.120 0.001 0.000 0.286 290 V C -0.177 175.939 176.094 0.037 0.000 1.034 290 V CA -0.694 61.553 62.300 -0.089 0.000 0.893 290 V CB 1.673 33.380 31.823 -0.193 0.000 0.982 290 V HN 0.686 nan 8.190 nan 0.000 0.452 291 V N 5.858 125.801 119.914 0.048 0.000 2.333 291 V HA 0.236 4.357 4.120 0.001 0.000 0.274 291 V C 0.622 176.751 176.094 0.059 0.000 1.028 291 V CA -0.095 62.235 62.300 0.050 0.000 0.851 291 V CB 1.254 33.047 31.823 -0.051 0.000 1.000 291 V HN 0.733 nan 8.190 nan 0.000 0.456 292 V N 3.478 123.457 119.914 0.110 0.000 3.085 292 V HA 0.249 4.370 4.120 0.001 0.000 0.245 292 V C 1.544 177.693 176.094 0.092 0.000 1.114 292 V CA 0.842 63.209 62.300 0.113 0.000 1.108 292 V CB -0.146 31.768 31.823 0.151 0.000 0.798 292 V HN 0.847 nan 8.190 nan 0.000 0.471 293 G N 0.784 109.637 108.800 0.088 0.000 2.406 293 G HA2 0.375 4.335 3.960 0.001 0.000 0.251 293 G HA3 0.375 4.335 3.960 0.001 0.000 0.251 293 G C -0.407 174.528 174.900 0.057 0.000 1.271 293 G CA -0.047 45.100 45.100 0.077 0.000 0.859 293 G HN 0.097 nan 8.290 nan 0.000 0.540 294 V N 5.673 125.640 119.914 0.088 0.000 2.427 294 V HA 0.171 4.291 4.120 0.001 0.000 0.268 294 V C -1.372 174.723 176.094 0.001 0.000 1.046 294 V CA -1.182 61.155 62.300 0.061 0.000 0.970 294 V CB 1.056 32.953 31.823 0.122 0.000 1.001 294 V HN 0.675 nan 8.190 nan 0.000 0.476 295 P HA 0.200 nan 4.420 nan 0.000 0.271 295 P C -2.513 174.747 177.300 -0.067 0.000 1.216 295 P CA -1.378 61.697 63.100 -0.041 0.000 0.771 295 P CB 0.087 31.762 31.700 -0.042 0.000 0.864 296 P HA -0.033 nan 4.420 nan 0.000 0.264 296 P C 0.283 177.556 177.300 -0.045 0.000 1.193 296 P CA 0.295 63.340 63.100 -0.092 0.000 0.763 296 P CB 0.151 31.819 31.700 -0.054 0.000 0.810 297 S N 1.820 117.499 115.700 -0.036 0.000 2.566 297 S HA 0.286 4.756 4.470 0.001 0.000 0.280 297 S C 0.958 175.554 174.600 -0.006 0.000 1.343 297 S CA -0.041 58.151 58.200 -0.014 0.000 1.036 297 S CB -0.256 62.944 63.200 0.001 0.000 0.866 297 S HN 0.819 nan 8.310 nan 0.000 0.526 298 A N 0.074 122.891 122.820 -0.004 0.000 2.822 298 A HA -0.133 4.188 4.320 0.001 0.000 0.287 298 A C 0.084 177.670 177.584 0.003 0.000 1.479 298 A CA 0.965 53.003 52.037 0.001 0.000 0.779 298 A CB -1.989 17.015 19.000 0.006 0.000 1.022 298 A HN 0.651 nan 8.150 nan 0.000 0.532 299 K N -0.079 120.321 120.400 0.001 0.000 2.426 299 K HA 0.616 4.936 4.320 0.001 0.000 0.254 299 K C -0.063 176.542 176.600 0.009 0.000 0.936 299 K CA -0.567 55.725 56.287 0.008 0.000 0.801 299 K CB 1.247 33.753 32.500 0.010 0.000 1.139 299 K HN 0.440 nan 8.250 nan 0.000 0.424 300 M N 2.435 122.045 119.600 0.017 0.000 2.288 300 M HA 0.312 4.792 4.480 0.001 0.000 0.334 300 M C -0.034 176.292 176.300 0.042 0.000 1.150 300 M CA -1.117 54.198 55.300 0.025 0.000 1.118 300 M CB 0.497 33.115 32.600 0.030 0.000 1.501 300 M HN 0.377 nan 8.290 nan 0.000 0.462 301 L N 2.079 123.337 121.223 0.058 0.000 2.317 301 L HA 0.575 4.915 4.340 0.001 0.000 0.281 301 L C -0.663 176.309 176.870 0.170 0.000 1.024 301 L CA 0.254 55.154 54.840 0.099 0.000 0.810 301 L CB 1.609 43.714 42.059 0.076 0.000 1.240 301 L HN 0.703 nan 8.230 nan 0.000 0.427 302 T N 6.227 120.894 114.554 0.188 0.000 2.815 302 T HA 0.589 4.939 4.350 0.001 0.000 0.289 302 T C -1.075 173.790 174.700 0.275 0.000 1.000 302 T CA -0.136 62.083 62.100 0.199 0.000 0.958 302 T CB 0.544 69.472 68.868 0.101 0.000 0.944 302 T HN 0.592 nan 8.240 nan 0.000 0.442 303 Y N 0.179 120.518 120.300 0.065 0.000 2.677 303 Y HA 0.717 5.267 4.550 0.001 0.000 0.334 303 Y C -1.046 174.865 175.900 0.019 0.000 1.154 303 Y CA -1.485 56.640 58.100 0.041 0.000 1.070 303 Y CB 1.148 39.645 38.460 0.062 0.000 1.294 303 Y HN 0.297 nan 8.280 nan 0.000 0.475 304 D N 2.206 122.475 120.400 -0.219 0.000 2.339 304 D HA 0.279 4.919 4.640 0.001 0.000 0.241 304 D C -1.966 174.048 176.300 -0.477 0.000 1.183 304 D CA -2.315 51.511 54.000 -0.290 0.000 0.859 304 D CB 1.666 42.400 40.800 -0.110 0.000 1.067 304 D HN 0.384 nan 8.370 nan 0.000 0.484 305 P HA -0.107 nan 4.420 nan 0.000 0.223 305 P C 1.298 178.560 177.300 -0.063 0.000 1.144 305 P CA 0.601 63.474 63.100 -0.378 0.000 0.783 305 P CB 0.174 31.721 31.700 -0.255 0.000 0.771 306 M N -1.306 118.250 119.600 -0.073 0.000 2.374 306 M HA -0.061 4.419 4.480 0.001 0.000 0.264 306 M C 1.628 177.957 176.300 0.049 0.000 1.067 306 M CA 1.387 56.694 55.300 0.012 0.000 1.103 306 M CB -1.025 31.552 32.600 -0.037 0.000 1.402 306 M HN -0.120 nan 8.290 nan 0.000 0.444 307 L N -1.496 119.739 121.223 0.020 0.000 2.093 307 L HA -0.200 4.140 4.340 0.001 0.000 0.208 307 L C 2.215 179.091 176.870 0.010 0.000 1.085 307 L CA 0.836 55.673 54.840 -0.005 0.000 0.755 307 L CB -0.815 41.237 42.059 -0.011 0.000 0.904 307 L HN 0.331 nan 8.230 nan 0.000 0.435 308 L N -0.635 120.659 121.223 0.119 0.000 2.034 308 L HA -0.144 4.197 4.340 0.001 0.000 0.203 308 L C 2.386 179.326 176.870 0.117 0.000 1.074 308 L CA 1.409 56.328 54.840 0.131 0.000 0.748 308 L CB -0.704 41.522 42.059 0.279 0.000 0.905 308 L HN 0.044 nan 8.230 nan 0.000 0.439 309 F N 0.830 120.795 119.950 0.026 0.000 2.111 309 F HA -0.358 4.169 4.527 -0.000 0.000 0.300 309 F C 2.365 178.167 175.800 0.003 0.000 1.088 309 F CA 2.377 60.385 58.000 0.013 0.000 1.243 309 F CB -0.726 38.272 39.000 -0.002 0.000 0.996 309 F HN 0.330 nan 8.300 nan 0.000 0.483 310 T N -2.286 112.324 114.554 0.094 0.000 3.052 310 T HA 0.163 4.514 4.350 0.001 0.000 0.270 310 T C 1.650 176.291 174.700 -0.097 0.000 1.147 310 T CA 0.888 62.987 62.100 -0.003 0.000 1.089 310 T CB -0.587 68.303 68.868 0.037 0.000 0.875 310 T HN 0.705 nan 8.240 nan 0.000 0.541 311 G N 0.789 109.517 108.800 -0.120 0.000 2.367 311 G HA2 -0.151 3.809 3.960 0.001 0.000 0.181 311 G HA3 -0.151 3.809 3.960 0.001 0.000 0.181 311 G C 0.144 175.014 174.900 -0.051 0.000 1.000 311 G CA -0.707 44.337 45.100 -0.092 0.000 0.693 311 G HN 0.528 nan 8.290 nan 0.000 0.480 312 R N 1.397 121.863 120.500 -0.057 0.000 2.522 312 R HA 0.407 4.747 4.340 0.001 0.000 0.284 312 R C -0.227 176.061 176.300 -0.020 0.000 1.032 312 R CA 0.753 56.812 56.100 -0.069 0.000 1.049 312 R CB 0.340 30.560 30.300 -0.133 0.000 0.956 312 R HN 0.138 nan 8.270 nan 0.000 0.422 313 T N 3.490 118.041 114.554 -0.005 0.000 2.767 313 T HA 0.165 4.516 4.350 0.001 0.000 0.288 313 T C -1.028 173.743 174.700 0.118 0.000 0.963 313 T CA -0.265 61.868 62.100 0.055 0.000 1.019 313 T CB 0.533 69.427 68.868 0.044 0.000 0.923 313 T HN 0.393 nan 8.240 nan 0.000 0.468 314 W N 5.765 127.030 121.300 -0.058 0.000 2.600 314 W HA 0.546 5.207 4.660 0.000 0.000 0.325 314 W C -0.778 175.700 176.519 -0.069 0.000 1.034 314 W CA -1.738 55.557 57.345 -0.084 0.000 1.226 314 W CB 0.865 30.261 29.460 -0.106 0.000 1.379 314 W HN 0.595 nan 8.180 nan 0.000 0.466 315 K N 3.859 124.323 120.400 0.106 0.000 2.502 315 K HA 0.815 5.136 4.320 0.001 0.000 0.257 315 K C 0.069 176.608 176.600 -0.101 0.000 0.938 315 K CA -0.966 55.298 56.287 -0.038 0.000 0.819 315 K CB 1.796 34.301 32.500 0.007 0.000 1.333 315 K HN 0.491 nan 8.250 nan 0.000 0.434 316 G N 0.169 108.890 108.800 -0.132 0.000 2.588 316 G HA2 0.444 4.405 3.960 0.001 0.000 0.281 316 G HA3 0.444 4.405 3.960 0.001 0.000 0.281 316 G C -1.060 173.819 174.900 -0.035 0.000 1.236 316 G CA -0.601 44.433 45.100 -0.111 0.000 0.969 316 G HN 0.705 nan 8.290 nan 0.000 0.504 317 C N -0.179 119.118 119.300 -0.005 0.000 2.817 317 C HA 0.541 5.001 4.460 0.001 0.000 0.385 317 C C -0.970 174.060 174.990 0.067 0.000 1.050 317 C CA -0.615 58.423 59.018 0.033 0.000 1.245 317 C CB 0.201 27.976 27.740 0.058 0.000 1.706 317 C HN 0.570 nan 8.230 nan 0.000 0.488 318 V N 7.041 127.005 119.914 0.084 0.000 2.409 318 V HA 0.512 4.632 4.120 0.001 0.000 0.291 318 V C 0.442 176.679 176.094 0.239 0.000 1.020 318 V CA -0.252 62.141 62.300 0.156 0.000 0.848 318 V CB 1.182 33.077 31.823 0.119 0.000 0.990 318 V HN 1.056 nan 8.190 nan 0.000 0.430 319 F N 4.443 124.464 119.950 0.118 0.000 3.091 319 F HA -0.277 4.250 4.527 0.001 0.000 0.288 319 F C 1.484 177.289 175.800 0.008 0.000 0.907 319 F CA 0.717 58.765 58.000 0.080 0.000 1.028 319 F CB -0.568 38.374 39.000 -0.096 0.000 1.022 319 F HN 1.002 nan 8.300 nan 0.000 0.665 320 G N 0.351 109.136 108.800 -0.025 0.000 2.212 320 G HA2 -0.007 3.953 3.960 0.001 0.000 0.267 320 G HA3 -0.007 3.953 3.960 0.001 0.000 0.267 320 G C 1.611 176.426 174.900 -0.141 0.000 1.002 320 G CA 1.058 46.074 45.100 -0.139 0.000 0.729 320 G HN 2.261 nan 8.290 nan 0.000 0.517 321 G N -1.736 107.021 108.800 -0.071 0.000 2.148 321 G HA2 -0.238 3.722 3.960 0.001 0.000 0.254 321 G HA3 -0.238 3.722 3.960 0.001 0.000 0.254 321 G C 0.461 175.314 174.900 -0.077 0.000 0.981 321 G CA 0.557 45.625 45.100 -0.054 0.000 0.670 321 G HN 1.299 nan 8.290 nan 0.000 0.528 322 L N -0.278 120.855 121.223 -0.149 0.000 2.436 322 L HA 0.380 4.721 4.340 0.001 0.000 0.265 322 L C 0.877 177.747 176.870 0.001 0.000 1.168 322 L CA -0.231 54.524 54.840 -0.142 0.000 0.815 322 L CB 0.748 42.583 42.059 -0.374 0.000 1.109 322 L HN 0.002 nan 8.230 nan 0.000 0.462 323 K N 1.619 122.022 120.400 0.006 0.000 2.257 323 K HA 0.176 4.497 4.320 0.001 0.000 0.270 323 K C 0.773 177.409 176.600 0.061 0.000 1.098 323 K CA -0.238 56.066 56.287 0.029 0.000 0.943 323 K CB 1.152 33.658 32.500 0.009 0.000 1.316 323 K HN 0.616 nan 8.250 nan 0.000 0.447 324 S N 2.357 118.121 115.700 0.108 0.000 2.380 324 S HA -0.295 4.175 4.470 0.001 0.000 0.290 324 S C 1.541 176.187 174.600 0.076 0.000 1.080 324 S CA 1.632 59.904 58.200 0.120 0.000 1.468 324 S CB -0.208 62.977 63.200 -0.025 0.000 1.303 324 S HN 0.653 nan 8.310 nan 0.000 0.457 325 R N 0.812 121.328 120.500 0.028 0.000 2.293 325 R HA -0.036 4.304 4.340 0.001 0.000 0.219 325 R C 1.182 177.501 176.300 0.032 0.000 1.091 325 R CA 1.089 57.204 56.100 0.024 0.000 1.004 325 R CB -0.282 30.021 30.300 0.006 0.000 0.865 325 R HN 0.439 nan 8.270 nan 0.000 0.469 326 D N 0.021 120.441 120.400 0.034 0.000 2.369 326 D HA -0.040 4.601 4.640 0.001 0.000 0.231 326 D C 1.125 177.450 176.300 0.040 0.000 0.967 326 D CA 0.895 54.914 54.000 0.031 0.000 0.905 326 D CB 0.084 40.896 40.800 0.021 0.000 1.044 326 D HN 0.027 nan 8.370 nan 0.000 0.487 327 D N -0.069 120.356 120.400 0.043 0.000 2.305 327 D HA 0.000 4.640 4.640 0.001 0.000 0.206 327 D C 2.158 178.498 176.300 0.067 0.000 0.974 327 D CA 0.130 54.153 54.000 0.039 0.000 0.871 327 D CB 0.370 41.166 40.800 -0.007 0.000 0.947 327 D HN 0.003 nan 8.370 nan 0.000 0.516 328 V N 1.735 121.709 119.914 0.099 0.000 2.270 328 V HA -0.153 3.967 4.120 0.001 0.000 0.245 328 V C -0.668 175.498 176.094 0.120 0.000 1.043 328 V CA 1.733 64.114 62.300 0.135 0.000 1.014 328 V CB -1.133 30.791 31.823 0.169 0.000 0.645 328 V HN 0.119 nan 8.190 nan 0.000 0.447 329 P HA -0.132 nan 4.420 nan 0.000 0.218 329 P C 1.532 178.889 177.300 0.094 0.000 1.149 329 P CA 1.355 64.505 63.100 0.084 0.000 0.817 329 P CB -0.011 31.726 31.700 0.061 0.000 0.785 330 K N -0.789 119.668 120.400 0.095 0.000 2.103 330 K HA -0.007 4.313 4.320 0.001 0.000 0.204 330 K C 1.987 178.681 176.600 0.157 0.000 1.052 330 K CA 0.976 57.325 56.287 0.104 0.000 0.945 330 K CB -0.573 31.979 32.500 0.087 0.000 0.722 330 K HN 0.147 nan 8.250 nan 0.000 0.443 331 L N 0.627 121.963 121.223 0.188 0.000 2.141 331 L HA -0.161 4.180 4.340 0.001 0.000 0.209 331 L C 2.229 179.327 176.870 0.380 0.000 1.094 331 L CA 0.700 55.730 54.840 0.316 0.000 0.763 331 L CB -0.307 41.907 42.059 0.260 0.000 0.908 331 L HN -0.010 nan 8.230 nan 0.000 0.437 332 V N -0.719 119.342 119.914 0.245 0.000 2.358 332 V HA -0.262 3.859 4.120 0.001 0.000 0.246 332 V C 2.503 178.700 176.094 0.170 0.000 1.047 332 V CA 2.277 64.706 62.300 0.215 0.000 1.035 332 V CB -0.661 31.251 31.823 0.148 0.000 0.658 332 V HN 0.462 nan 8.190 nan 0.000 0.452 333 T N -0.491 114.136 114.554 0.122 0.000 2.821 333 T HA -0.166 4.184 4.350 0.001 0.000 0.267 333 T C 1.790 176.513 174.700 0.038 0.000 1.046 333 T CA 1.428 63.566 62.100 0.063 0.000 1.139 333 T CB -0.192 68.711 68.868 0.058 0.000 0.871 333 T HN 0.584 nan 8.240 nan 0.000 0.454 334 E N 0.138 120.401 120.200 0.105 0.000 2.106 334 E HA -0.051 4.299 4.350 0.001 0.000 0.192 334 E C 1.825 178.332 176.600 -0.155 0.000 0.984 334 E CA 0.683 57.134 56.400 0.085 0.000 0.806 334 E CB -0.222 29.672 29.700 0.324 0.000 0.750 334 E HN 0.552 nan 8.360 nan 0.000 0.458 335 F N 1.469 121.160 119.950 -0.432 0.000 2.102 335 F HA -0.161 4.366 4.527 0.001 0.000 0.298 335 F C 1.953 177.489 175.800 -0.440 0.000 1.105 335 F CA 0.974 58.476 58.000 -0.829 0.000 1.239 335 F CB 0.064 38.705 39.000 -0.598 0.000 0.991 335 F HN -0.087 nan 8.300 nan 0.000 0.474 336 L N 0.157 121.158 121.223 -0.369 0.000 2.450 336 L HA -0.134 4.207 4.340 0.001 0.000 0.224 336 L C 1.966 178.641 176.870 -0.326 0.000 1.149 336 L CA 0.745 55.358 54.840 -0.379 0.000 0.816 336 L CB -0.864 41.098 42.059 -0.160 0.000 0.932 336 L HN 0.267 nan 8.230 nan 0.000 0.449 337 A N -0.617 122.035 122.820 -0.281 0.000 2.507 337 A HA 0.137 4.458 4.320 0.001 0.000 0.270 337 A C 0.926 178.368 177.584 -0.236 0.000 1.318 337 A CA -0.326 51.592 52.037 -0.199 0.000 0.924 337 A CB -0.182 18.752 19.000 -0.109 0.000 1.061 337 A HN 0.333 nan 8.150 nan 0.000 0.516 338 K N -0.622 119.547 120.400 -0.386 0.000 3.035 338 K HA -0.258 4.062 4.320 0.001 0.000 0.262 338 K C 0.708 177.165 176.600 -0.239 0.000 1.024 338 K CA 1.253 57.319 56.287 -0.368 0.000 0.748 338 K CB -1.246 31.100 32.500 -0.257 0.000 1.247 338 K HN 0.587 nan 8.250 nan 0.000 0.482 339 K N -0.060 120.190 120.400 -0.249 0.000 2.155 339 K HA -0.039 4.282 4.320 0.001 0.000 0.203 339 K C 0.607 177.255 176.600 0.081 0.000 1.052 339 K CA 1.378 57.638 56.287 -0.045 0.000 0.948 339 K CB 0.048 32.591 32.500 0.072 0.000 0.728 339 K HN 0.391 nan 8.250 nan 0.000 0.448 340 F N -1.946 118.001 119.950 -0.005 0.000 2.613 340 F HA 0.424 4.952 4.527 0.001 0.000 0.310 340 F C -1.274 174.534 175.800 0.013 0.000 1.085 340 F CA -1.897 56.076 58.000 -0.045 0.000 0.945 340 F CB 1.013 39.899 39.000 -0.190 0.000 1.298 340 F HN -0.349 nan 8.300 nan 0.000 0.455 341 D N 2.370 122.857 120.400 0.145 0.000 2.412 341 D HA 0.360 5.000 4.640 0.001 0.000 0.224 341 D C 0.412 176.736 176.300 0.040 0.000 1.093 341 D CA -0.167 53.897 54.000 0.106 0.000 0.850 341 D CB 1.207 42.047 40.800 0.066 0.000 1.046 341 D HN 0.718 nan 8.370 nan 0.000 0.507 342 L N 2.441 123.660 121.223 -0.007 0.000 2.209 342 L HA -0.002 4.339 4.340 0.001 0.000 0.207 342 L C 1.653 178.485 176.870 -0.063 0.000 1.094 342 L CA 0.434 55.157 54.840 -0.194 0.000 0.790 342 L CB 0.032 41.776 42.059 -0.526 0.000 0.932 342 L HN 0.392 nan 8.230 nan 0.000 0.447 343 D N 0.227 120.634 120.400 0.012 0.000 2.221 343 D HA -0.218 4.422 4.640 0.001 0.000 0.204 343 D C 2.036 178.344 176.300 0.014 0.000 0.982 343 D CA 1.177 55.188 54.000 0.018 0.000 0.857 343 D CB 0.015 40.837 40.800 0.037 0.000 0.934 343 D HN 0.494 nan 8.370 nan 0.000 0.475 344 Q N -0.078 119.735 119.800 0.021 0.000 2.226 344 Q HA -0.069 4.271 4.340 0.001 0.000 0.204 344 Q C 2.276 178.296 176.000 0.033 0.000 0.975 344 Q CA 0.648 56.468 55.803 0.028 0.000 0.866 344 Q CB 0.061 28.824 28.738 0.041 0.000 0.915 344 Q HN 0.357 nan 8.270 nan 0.000 0.440 345 L N -0.165 121.077 121.223 0.032 0.000 2.307 345 L HA 0.097 4.437 4.340 0.001 0.000 0.211 345 L C 0.705 177.599 176.870 0.039 0.000 1.099 345 L CA 0.016 54.884 54.840 0.046 0.000 0.816 345 L CB 0.130 42.226 42.059 0.062 0.000 0.952 345 L HN 0.119 nan 8.230 nan 0.000 0.455 346 I N 0.839 121.423 120.570 0.023 0.000 2.363 346 I HA -0.011 4.159 4.170 0.001 0.000 0.292 346 I C 1.322 177.446 176.117 0.012 0.000 1.075 346 I CA 0.037 61.351 61.300 0.023 0.000 1.333 346 I CB 1.246 39.252 38.000 0.010 0.000 1.415 346 I HN 0.127 nan 8.210 nan 0.000 0.502 347 T N 0.686 115.265 114.554 0.041 0.000 3.014 347 T HA 0.205 4.555 4.350 0.001 0.000 0.250 347 T C 0.302 174.838 174.700 -0.273 0.000 1.060 347 T CA 0.207 62.283 62.100 -0.040 0.000 1.040 347 T CB -0.011 68.906 68.868 0.083 0.000 0.971 347 T HN 0.534 nan 8.240 nan 0.000 0.497 348 H N -0.448 118.612 119.070 -0.017 0.000 3.029 348 H HA 0.676 5.233 4.556 0.001 0.000 0.358 348 H C -1.581 173.733 175.328 -0.024 0.000 1.129 348 H CA -0.758 55.277 56.048 -0.023 0.000 1.230 348 H CB 2.176 31.918 29.762 -0.033 0.000 1.827 348 H HN 0.037 nan 8.280 nan 0.000 0.530 349 V N 4.433 124.393 119.914 0.077 0.000 2.444 349 V HA 0.505 4.626 4.120 0.001 0.000 0.294 349 V C -0.583 175.528 176.094 0.029 0.000 1.022 349 V CA -0.560 61.763 62.300 0.040 0.000 0.850 349 V CB 1.320 33.154 31.823 0.018 0.000 0.992 349 V HN 0.502 nan 8.190 nan 0.000 0.426 350 L N 5.814 127.039 121.223 0.003 0.000 2.376 350 L HA 0.660 5.000 4.340 0.001 0.000 0.258 350 L C -2.641 174.194 176.870 -0.059 0.000 1.013 350 L CA -2.015 52.808 54.840 -0.028 0.000 0.822 350 L CB 3.292 45.321 42.059 -0.051 0.000 1.388 350 L HN 0.370 nan 8.230 nan 0.000 0.413 351 P HA 0.039 nan 4.420 nan 0.000 0.278 351 P C 0.622 177.825 177.300 -0.163 0.000 1.238 351 P CA -0.311 62.731 63.100 -0.097 0.000 0.794 351 P CB 0.853 32.507 31.700 -0.077 0.000 0.955 352 F N 3.590 123.287 119.950 -0.422 0.000 2.106 352 F HA -0.293 4.235 4.527 0.001 0.000 0.299 352 F C 1.837 177.401 175.800 -0.393 0.000 1.082 352 F CA 2.128 59.791 58.000 -0.563 0.000 1.244 352 F CB -0.694 37.666 39.000 -1.067 0.000 0.997 352 F HN 0.203 nan 8.300 nan 0.000 0.486 353 K N 0.444 120.594 120.400 -0.417 0.000 2.360 353 K HA -0.124 4.196 4.320 0.001 0.000 0.201 353 K C 1.228 177.593 176.600 -0.391 0.000 1.046 353 K CA 1.076 57.112 56.287 -0.418 0.000 0.940 353 K CB -0.263 32.126 32.500 -0.185 0.000 0.748 353 K HN 0.278 nan 8.250 nan 0.000 0.465 354 K N 0.354 120.550 120.400 -0.341 0.000 2.596 354 K HA 0.137 4.458 4.320 0.001 0.000 0.211 354 K C 1.167 177.591 176.600 -0.293 0.000 1.046 354 K CA -0.089 56.046 56.287 -0.254 0.000 1.202 354 K CB -0.031 32.371 32.500 -0.163 0.000 0.925 354 K HN 0.141 nan 8.250 nan 0.000 0.486 355 I N 0.652 120.938 120.570 -0.474 0.000 2.194 355 I HA -0.386 3.784 4.170 0.001 0.000 0.246 355 I C 1.672 177.681 176.117 -0.180 0.000 1.093 355 I CA 1.558 62.559 61.300 -0.498 0.000 1.355 355 I CB 0.158 37.583 38.000 -0.960 0.000 1.046 355 I HN 0.168 nan 8.210 nan 0.000 0.413 356 S N -0.071 115.540 115.700 -0.148 0.000 2.399 356 S HA -0.254 4.217 4.470 0.001 0.000 0.231 356 S C 1.841 176.460 174.600 0.032 0.000 1.022 356 S CA 1.532 59.734 58.200 0.003 0.000 0.983 356 S CB -0.306 62.883 63.200 -0.019 0.000 0.803 356 S HN 0.551 nan 8.310 nan 0.000 0.480 357 E N 0.734 120.907 120.200 -0.044 0.000 2.152 357 E HA -0.078 4.273 4.350 0.001 0.000 0.192 357 E C 2.164 178.715 176.600 -0.081 0.000 0.983 357 E CA 0.837 57.202 56.400 -0.058 0.000 0.818 357 E CB -0.300 29.351 29.700 -0.082 0.000 0.758 357 E HN 0.521 nan 8.360 nan 0.000 0.467 358 G N 0.319 109.066 108.800 -0.088 0.000 2.404 358 G HA2 -0.246 3.714 3.960 0.001 0.000 0.215 358 G HA3 -0.246 3.714 3.960 0.001 0.000 0.215 358 G C 1.226 176.041 174.900 -0.141 0.000 1.174 358 G CA 0.495 45.501 45.100 -0.156 0.000 0.780 358 G HN 0.219 nan 8.290 nan 0.000 0.537 359 F N 1.035 120.934 119.950 -0.085 0.000 2.134 359 F HA 0.021 4.548 4.527 0.001 0.000 0.299 359 F C 2.628 178.416 175.800 -0.020 0.000 1.097 359 F CA 1.541 59.534 58.000 -0.012 0.000 1.264 359 F CB -0.153 38.885 39.000 0.064 0.000 1.001 359 F HN 0.189 nan 8.300 nan 0.000 0.479 360 E N 0.739 121.016 120.200 0.127 0.000 2.110 360 E HA -0.176 4.175 4.350 0.001 0.000 0.193 360 E C 2.037 178.632 176.600 -0.009 0.000 0.988 360 E CA 1.335 57.767 56.400 0.053 0.000 0.804 360 E CB -0.512 29.202 29.700 0.024 0.000 0.745 360 E HN 0.417 nan 8.360 nan 0.000 0.458 361 L N -0.221 120.956 121.223 -0.076 0.000 2.093 361 L HA -0.131 4.209 4.340 0.001 0.000 0.208 361 L C 2.397 179.208 176.870 -0.099 0.000 1.085 361 L CA 0.728 55.485 54.840 -0.139 0.000 0.755 361 L CB -0.443 41.420 42.059 -0.326 0.000 0.904 361 L HN 0.245 nan 8.230 nan 0.000 0.435 362 L N 0.084 121.248 121.223 -0.098 0.000 1.961 362 L HA -0.213 4.128 4.340 0.001 0.000 0.210 362 L C 2.286 179.150 176.870 -0.010 0.000 1.072 362 L CA 1.849 56.646 54.840 -0.073 0.000 0.749 362 L CB -0.791 41.189 42.059 -0.132 0.000 0.889 362 L HN 0.244 nan 8.230 nan 0.000 0.432 363 N N -0.506 118.211 118.700 0.028 0.000 2.348 363 N HA -0.160 4.581 4.740 0.001 0.000 0.185 363 N C 1.718 177.252 175.510 0.041 0.000 1.019 363 N CA 1.512 54.597 53.050 0.058 0.000 0.880 363 N CB -0.212 38.332 38.487 0.094 0.000 0.965 363 N HN 0.609 nan 8.380 nan 0.000 0.437 364 S N -1.012 114.699 115.700 0.019 0.000 2.558 364 S HA 0.231 4.701 4.470 0.001 0.000 0.217 364 S C 1.340 175.946 174.600 0.011 0.000 0.975 364 S CA 0.477 58.686 58.200 0.014 0.000 0.912 364 S CB 0.407 63.609 63.200 0.003 0.000 0.776 364 S HN 0.367 nan 8.310 nan 0.000 0.526 365 G N 1.107 109.913 108.800 0.010 0.000 2.137 365 G HA2 -0.253 3.708 3.960 0.001 0.000 0.237 365 G HA3 -0.253 3.708 3.960 0.001 0.000 0.237 365 G C 0.456 175.362 174.900 0.010 0.000 1.002 365 G CA 0.397 45.505 45.100 0.013 0.000 0.702 365 G HN 0.565 nan 8.290 nan 0.000 0.515 366 Q N -0.431 119.370 119.800 0.002 0.000 2.396 366 Q HA 0.249 4.589 4.340 0.001 0.000 0.209 366 Q C 1.378 177.416 176.000 0.063 0.000 0.906 366 Q CA 0.989 56.806 55.803 0.023 0.000 0.927 366 Q CB 0.537 29.280 28.738 0.008 0.000 1.069 366 Q HN 0.787 nan 8.270 nan 0.000 0.523 367 S N -1.301 114.411 115.700 0.021 0.000 2.671 367 S HA 0.481 4.952 4.470 0.001 0.000 0.299 367 S C 0.289 174.920 174.600 0.051 0.000 1.116 367 S CA -0.828 57.415 58.200 0.072 0.000 0.912 367 S CB 1.350 64.532 63.200 -0.029 0.000 1.130 367 S HN -0.095 nan 8.310 nan 0.000 0.501 368 I N -0.054 120.561 120.570 0.075 0.000 4.728 368 I HA 0.411 4.581 4.170 0.001 0.000 0.233 368 I C 0.619 176.758 176.117 0.036 0.000 1.004 368 I CA 0.407 61.739 61.300 0.054 0.000 1.677 368 I CB -0.656 37.383 38.000 0.064 0.000 1.509 368 I HN 0.527 nan 8.210 nan 0.000 0.463 369 R N 1.054 121.584 120.500 0.051 0.000 2.514 369 R HA 0.518 4.858 4.340 0.001 0.000 0.301 369 R C -1.031 175.298 176.300 0.049 0.000 0.962 369 R CA -0.243 55.875 56.100 0.029 0.000 0.882 369 R CB 1.562 31.882 30.300 0.034 0.000 1.143 369 R HN 0.206 nan 8.270 nan 0.000 0.452 370 T N 2.207 116.761 114.554 0.000 0.000 2.792 370 T HA 0.376 4.726 4.350 0.001 0.000 0.280 370 T C -0.244 174.455 174.700 -0.001 0.000 0.990 370 T CA -0.480 61.626 62.100 0.010 0.000 0.960 370 T CB 1.702 70.516 68.868 -0.090 0.000 0.939 370 T HN 0.123 nan 8.240 nan 0.000 0.439 371 V N 5.174 125.104 119.914 0.027 0.000 2.398 371 V HA 0.446 4.567 4.120 0.001 0.000 0.286 371 V C -0.085 176.027 176.094 0.030 0.000 1.026 371 V CA -0.868 61.455 62.300 0.038 0.000 0.868 371 V CB 1.293 33.142 31.823 0.043 0.000 0.982 371 V HN 0.730 nan 8.190 nan 0.000 0.443 372 L N 5.054 126.307 121.223 0.049 0.000 2.275 372 L HA 0.566 4.907 4.340 0.001 0.000 0.288 372 L C 0.545 177.457 176.870 0.069 0.000 1.046 372 L CA -0.231 54.623 54.840 0.022 0.000 0.805 372 L CB 1.796 43.867 42.059 0.021 0.000 1.193 372 L HN 0.798 nan 8.230 nan 0.000 0.426 373 T N -0.846 113.710 114.554 0.003 0.000 2.859 373 T HA 0.647 4.997 4.350 0.001 0.000 0.281 373 T C -0.360 174.294 174.700 -0.076 0.000 1.005 373 T CA -0.545 61.583 62.100 0.046 0.000 1.025 373 T CB 1.437 70.328 68.868 0.039 0.000 0.977 373 T HN 0.103 nan 8.240 nan 0.000 0.458 374 F N 0.000 119.943 119.950 -0.012 0.000 2.286 374 F HA 0.000 4.527 4.527 0.001 0.000 0.279 374 F CA 0.000 57.972 58.000 -0.047 0.000 1.383 374 F CB 0.000 38.913 39.000 -0.145 0.000 1.145 374 F HN 0.000 nan 8.300 nan 0.000 0.574